NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10682 | 1q48 | 5842 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 5.174 -35.439 -23.890 2 2H MET 1 2H MET 1 6.436 -35.151 -22.789 3 3H MET 1 3H MET 1 6.758 -35.225 -24.455 4 HA MET 1 HA MET 1 6.775 -32.950 -23.943 5 1HB MET 1 2HB MET 1 5.007 -32.123 -25.310 6 2HB MET 1 1HB MET 1 5.339 -33.745 -25.918 7 1HG MET 1 2HG MET 1 3.495 -34.267 -23.958 8 2HG MET 1 1HG MET 1 2.939 -32.706 -24.558 9 1HE MET 1 1HE MET 1 0.713 -33.294 -26.542 10 2HE MET 1 2HE MET 1 0.984 -33.744 -24.861 11 3HE MET 1 3HE MET 1 0.508 -34.975 -26.028 12 H ALA 2 H ALA 2 4.568 -34.810 -22.084 13 HA ALA 2 HA ALA 2 4.521 -33.091 -19.874 14 1HB ALA 2 1HB ALA 2 3.191 -31.387 -20.531 15 2HB ALA 2 2HB ALA 2 1.860 -32.543 -20.520 16 3HB ALA 2 3HB ALA 2 2.739 -32.226 -22.015 17 H TYR 3 H TYR 3 4.694 -35.448 -19.296 18 HA TYR 3 HA TYR 3 2.365 -37.153 -19.550 19 1HB TYR 3 2HB TYR 3 4.465 -38.257 -19.279 20 2HB TYR 3 1HB TYR 3 4.867 -37.296 -17.856 21 HD1 TYR 3 HD1 TYR 3 2.614 -39.947 -19.158 22 HD2 TYR 3 HD2 TYR 3 4.067 -37.888 -15.680 23 HE1 TYR 3 HE1 TYR 3 1.535 -41.643 -17.704 24 HE2 TYR 3 HE2 TYR 3 2.989 -39.584 -14.226 25 HH TYR 3 HH TYR 3 1.731 -41.403 -14.148 26 H SER 4 H SER 4 2.415 -34.374 -18.050 27 HA SER 4 HA SER 4 0.928 -35.372 -15.652 28 1HB SER 4 2HB SER 4 1.540 -33.087 -14.670 29 2HB SER 4 1HB SER 4 2.863 -34.238 -14.837 30 HG SER 4 HG SER 4 2.822 -31.847 -15.773 31 H GLU 5 H GLU 5 -0.784 -33.756 -14.923 32 HA GLU 5 HA GLU 5 -2.294 -32.871 -17.307 33 1HB GLU 5 2HB GLU 5 -2.993 -33.164 -14.378 34 2HB GLU 5 1HB GLU 5 -4.088 -32.409 -15.537 35 1HG GLU 5 2HG GLU 5 -4.814 -34.604 -15.675 36 2HG GLU 5 1HG GLU 5 -3.578 -34.613 -16.934 37 H LYS 6 H LYS 6 0.136 -31.432 -16.163 38 HA LYS 6 HA LYS 6 -1.201 -28.791 -15.712 39 1HB LYS 6 2HB LYS 6 1.051 -30.122 -14.347 40 2HB LYS 6 1HB LYS 6 1.355 -28.441 -14.783 41 1HG LYS 6 2HG LYS 6 0.343 -28.564 -12.550 42 2HG LYS 6 1HG LYS 6 -0.765 -27.785 -13.679 43 1HD LYS 6 2HD LYS 6 -2.268 -29.501 -13.595 44 2HD LYS 6 1HD LYS 6 -1.008 -30.730 -13.496 45 1HE LYS 6 2HE LYS 6 -1.348 -28.910 -11.154 46 2HE LYS 6 1HE LYS 6 -2.567 -30.163 -11.402 47 1HZ LYS 6 1HZ LYS 6 0.292 -30.848 -11.548 48 2HZ LYS 6 2HZ LYS 6 -1.032 -31.836 -11.150 49 3HZ LYS 6 3HZ LYS 6 -0.457 -30.692 -10.033 50 H VAL 7 H VAL 7 -0.911 -27.419 -17.390 51 HA VAL 7 HA VAL 7 1.372 -27.920 -19.242 52 HB VAL 7 HB VAL 7 -1.279 -26.505 -19.573 53 1HG1 VAL 7 1HG1 VAL 7 1.265 -26.255 -21.140 54 2HG1 VAL 7 2HG1 VAL 7 0.057 -25.025 -20.766 55 3HG1 VAL 7 3HG1 VAL 7 -0.271 -26.235 -22.007 56 1HG2 VAL 7 1HG2 VAL 7 -0.959 -29.045 -19.870 57 2HG2 VAL 7 2HG2 VAL 7 0.002 -28.637 -21.292 58 3HG2 VAL 7 3HG2 VAL 7 -1.699 -28.176 -21.215 59 H ILE 8 H ILE 8 0.343 -25.851 -16.760 60 HA ILE 8 HA ILE 8 1.041 -23.281 -17.328 61 HB ILE 8 HB ILE 8 2.581 -24.098 -15.001 62 1HG1 ILE 8 2HG1 ILE 8 -0.298 -25.051 -15.160 63 2HG1 ILE 8 1HG1 ILE 8 1.114 -26.108 -15.172 64 1HG2 ILE 8 1HG2 ILE 8 0.986 -22.607 -13.878 65 2HG2 ILE 8 2HG2 ILE 8 -0.053 -22.621 -15.304 66 3HG2 ILE 8 3HG2 ILE 8 1.543 -21.874 -15.383 67 1HD1 ILE 8 1HD1 ILE 8 -0.181 -25.480 -12.902 68 2HD1 ILE 8 2HD1 ILE 8 0.939 -24.118 -12.961 69 3HD1 ILE 8 3HD1 ILE 8 1.559 -25.770 -12.942 70 H ASP 9 H ASP 9 2.971 -22.076 -17.625 71 HA ASP 9 HA ASP 9 5.170 -23.606 -18.825 72 1HB ASP 9 2HB ASP 9 4.782 -20.625 -18.414 73 2HB ASP 9 1HB ASP 9 6.104 -21.352 -19.329 74 H HIS 10 H HIS 10 4.537 -21.839 -15.852 75 HA HIS 10 HA HIS 10 6.621 -23.114 -14.407 76 1HB HIS 10 2HB HIS 10 7.455 -20.820 -16.012 77 2HB HIS 10 1HB HIS 10 7.787 -20.580 -14.298 78 HD2 HIS 10 HD2 HIS 10 10.598 -21.040 -15.095 79 HE1 HIS 10 HE1 HIS 10 10.067 -25.216 -15.433 80 HE2 HIS 10 HE2 HIS 10 11.784 -23.354 -15.304 81 H TYR 11 H TYR 11 6.850 -22.173 -12.209 82 HA TYR 11 HA TYR 11 4.329 -21.157 -11.238 83 1HB TYR 11 2HB TYR 11 6.792 -20.907 -9.570 84 2HB TYR 11 1HB TYR 11 5.195 -21.509 -9.128 85 HD1 TYR 11 HD1 TYR 11 8.512 -22.457 -9.819 86 HD2 TYR 11 HD2 TYR 11 4.453 -23.714 -10.447 87 HE1 TYR 11 HE1 TYR 11 9.289 -24.784 -10.178 88 HE2 TYR 11 HE2 TYR 11 5.230 -26.041 -10.807 89 HH TYR 11 HH TYR 11 8.633 -26.930 -10.364 90 H GLU 12 H GLU 12 7.495 -19.686 -11.879 91 HA GLU 12 HA GLU 12 6.168 -17.023 -11.641 92 1HB GLU 12 2HB GLU 12 8.915 -17.757 -10.583 93 2HB GLU 12 1HB GLU 12 8.238 -16.129 -10.605 94 1HG GLU 12 2HG GLU 12 6.219 -17.474 -9.380 95 2HG GLU 12 1HG GLU 12 7.606 -18.413 -8.825 96 H ASN 13 H ASN 13 9.584 -17.639 -12.267 97 HA ASN 13 HA ASN 13 9.175 -17.235 -15.172 98 1HB ASN 13 2HB ASN 13 10.943 -15.426 -13.497 99 2HB ASN 13 1HB ASN 13 10.763 -15.363 -15.250 100 1HD2 ASN 13 1HD2 ASN 13 9.328 -14.401 -12.220 101 2HD2 ASN 13 2HD2 ASN 13 7.972 -13.619 -12.879 102 HA PRO 14 HA PRO 14 12.571 -20.058 -15.297 103 1HB PRO 14 2HB PRO 14 13.509 -19.561 -17.814 104 2HB PRO 14 1HB PRO 14 12.001 -20.442 -17.496 105 1HG PRO 14 2HG PRO 14 12.406 -17.613 -18.318 106 2HG PRO 14 1HG PRO 14 11.150 -18.764 -18.805 107 1HD PRO 14 2HD PRO 14 10.749 -16.782 -16.937 108 2HD PRO 14 1HD PRO 14 9.830 -18.303 -16.972 109 H ARG 15 H ARG 15 13.026 -16.860 -14.836 110 HA ARG 15 HA ARG 15 15.946 -16.871 -15.385 111 1HB ARG 15 2HB ARG 15 14.196 -14.899 -15.824 112 2HB ARG 15 1HB ARG 15 14.573 -14.527 -14.142 113 1HG ARG 15 2HG ARG 15 17.048 -14.736 -14.842 114 2HG ARG 15 1HG ARG 15 16.453 -14.632 -16.499 115 1HD ARG 15 2HD ARG 15 15.557 -12.461 -16.159 116 2HD ARG 15 1HD ARG 15 15.670 -12.602 -14.405 117 HE ARG 15 HE ARG 15 18.297 -12.824 -15.247 118 1HH1 ARG 15 1HH2 ARG 15 15.692 -10.623 -15.747 119 2HH1 ARG 15 2HH2 ARG 15 16.720 -9.240 -15.929 120 1HH2 ARG 15 2HH1 ARG 15 19.654 -11.031 -15.481 121 2HH2 ARG 15 1HH1 ARG 15 18.961 -9.471 -15.778 122 H ASN 16 H ASN 16 14.637 -18.470 -13.216 123 HA ASN 16 HA ASN 16 15.026 -18.977 -10.958 124 1HB ASN 16 2HB ASN 16 17.477 -17.626 -11.938 125 2HB ASN 16 1HB ASN 16 17.290 -17.683 -10.185 126 1HD2 ASN 16 1HD2 ASN 16 15.821 -20.225 -12.117 127 2HD2 ASN 16 2HD2 ASN 16 16.925 -21.443 -11.697 128 H VAL 17 H VAL 17 13.090 -17.603 -10.498 129 HA VAL 17 HA VAL 17 12.016 -15.917 -9.268 130 HB VAL 17 HB VAL 17 14.754 -15.940 -7.977 131 1HG1 VAL 17 1HG1 VAL 17 13.967 -13.796 -7.417 132 2HG1 VAL 17 2HG1 VAL 17 13.387 -14.787 -6.079 133 3HG1 VAL 17 3HG1 VAL 17 12.285 -14.323 -7.375 134 1HG2 VAL 17 1HG2 VAL 17 13.407 -17.054 -6.145 135 2HG2 VAL 17 2HG2 VAL 17 13.517 -17.988 -7.637 136 3HG2 VAL 17 3HG2 VAL 17 12.043 -17.096 -7.263 137 H GLY 18 H GLY 18 12.009 -13.525 -8.896 138 1HA GLY 18 2HA GLY 18 13.923 -11.686 -9.739 139 2HA GLY 18 1HA GLY 18 13.062 -12.137 -11.212 140 H SER 19 H SER 19 10.804 -11.621 -11.375 141 HA SER 19 HA SER 19 8.913 -10.283 -11.009 142 1HB SER 19 2HB SER 19 8.173 -10.974 -8.987 143 2HB SER 19 1HB SER 19 9.814 -11.142 -8.367 144 HG SER 19 HG SER 19 8.016 -9.100 -8.084 145 H LEU 20 H LEU 20 8.439 -8.053 -11.015 146 HA LEU 20 HA LEU 20 8.932 -5.765 -11.150 147 1HB LEU 20 2HB LEU 20 9.604 -6.525 -8.624 148 2HB LEU 20 1HB LEU 20 11.159 -5.925 -9.203 149 HG LEU 20 HG LEU 20 9.832 -3.874 -10.048 150 1HD1 LEU 20 1HD1 LEU 20 7.893 -4.137 -7.903 151 2HD1 LEU 20 2HD1 LEU 20 7.701 -5.431 -9.086 152 3HD1 LEU 20 3HD1 LEU 20 7.626 -3.746 -9.602 153 1HD2 LEU 20 1HD2 LEU 20 11.068 -3.126 -8.301 154 2HD2 LEU 20 2HD2 LEU 20 10.790 -4.600 -7.373 155 3HD2 LEU 20 3HD2 LEU 20 9.597 -3.300 -7.343 156 H ASP 21 H ASP 21 9.904 -5.316 -13.085 157 HA ASP 21 HA ASP 21 12.715 -4.862 -13.257 158 1HB ASP 21 2HB ASP 21 12.244 -7.541 -13.368 159 2HB ASP 21 1HB ASP 21 12.125 -7.123 -15.078 160 H LYS 22 H LYS 22 9.677 -4.407 -14.257 161 HA LYS 22 HA LYS 22 8.710 -3.309 -16.092 162 1HB LYS 22 2HB LYS 22 11.595 -2.465 -16.202 163 2HB LYS 22 1HB LYS 22 10.498 -1.991 -17.497 164 1HG LYS 22 2HG LYS 22 10.328 -0.203 -15.977 165 2HG LYS 22 1HG LYS 22 8.930 -1.200 -15.572 166 1HD LYS 22 2HD LYS 22 10.476 -2.355 -13.862 167 2HD LYS 22 1HD LYS 22 11.560 -0.985 -14.107 168 1HE LYS 22 2HE LYS 22 9.195 0.315 -13.756 169 2HE LYS 22 1HE LYS 22 8.940 -1.097 -12.730 170 1HZ LYS 22 1HZ LYS 22 9.992 0.744 -11.538 171 2HZ LYS 22 2HZ LYS 22 11.308 0.693 -12.611 172 3HZ LYS 22 3HZ LYS 22 10.992 -0.625 -11.587 173 H LYS 23 H LYS 23 10.696 -5.931 -16.396 174 HA LYS 23 HA LYS 23 9.962 -6.221 -19.273 175 1HB LYS 23 2HB LYS 23 12.609 -7.112 -18.096 176 2HB LYS 23 1HB LYS 23 12.122 -7.181 -19.791 177 1HG LYS 23 2HG LYS 23 12.107 -4.788 -19.974 178 2HG LYS 23 1HG LYS 23 12.286 -4.593 -18.230 179 1HD LYS 23 2HD LYS 23 14.359 -6.081 -19.834 180 2HD LYS 23 1HD LYS 23 14.404 -4.322 -19.711 181 1HE LYS 23 2HE LYS 23 13.960 -5.526 -17.107 182 2HE LYS 23 1HE LYS 23 15.431 -6.158 -17.851 183 1HZ LYS 23 1HZ LYS 23 15.649 -3.564 -18.412 184 2HZ LYS 23 2HZ LYS 23 16.313 -4.284 -17.024 185 3HZ LYS 23 3HZ LYS 23 14.822 -3.475 -16.934 186 H ASP 24 H ASP 24 8.236 -7.358 -17.734 187 HA ASP 24 HA ASP 24 8.933 -10.236 -17.793 188 1HB ASP 24 2HB ASP 24 7.807 -8.864 -15.331 189 2HB ASP 24 1HB ASP 24 8.069 -10.599 -15.516 190 H SER 25 H SER 25 6.956 -11.596 -17.628 191 HA SER 25 HA SER 25 4.729 -10.325 -19.052 192 1HB SER 25 2HB SER 25 4.407 -12.420 -19.814 193 2HB SER 25 1HB SER 25 5.782 -12.944 -18.845 194 HG SER 25 HG SER 25 4.458 -13.682 -17.350 195 H ASN 26 H ASN 26 5.570 -10.877 -15.804 196 HA ASN 26 HA ASN 26 2.758 -10.975 -14.879 197 1HB ASN 26 2HB ASN 26 5.320 -10.896 -13.258 198 2HB ASN 26 1HB ASN 26 3.707 -11.285 -12.658 199 1HD2 ASN 26 1HD2 ASN 26 6.226 -12.450 -14.938 200 2HD2 ASN 26 2HD2 ASN 26 5.741 -14.077 -14.883 201 H VAL 27 H VAL 27 4.503 -8.601 -16.091 202 HA VAL 27 HA VAL 27 3.383 -6.596 -14.190 203 HB VAL 27 HB VAL 27 6.200 -6.719 -15.284 204 1HG1 VAL 27 1HG1 VAL 27 4.700 -4.354 -14.123 205 2HG1 VAL 27 2HG1 VAL 27 5.409 -4.469 -15.734 206 3HG1 VAL 27 3HG1 VAL 27 6.452 -4.414 -14.312 207 1HG2 VAL 27 1HG2 VAL 27 5.459 -7.749 -13.028 208 2HG2 VAL 27 2HG2 VAL 27 5.265 -6.082 -12.485 209 3HG2 VAL 27 3HG2 VAL 27 6.847 -6.661 -13.006 210 H GLY 28 H GLY 28 1.976 -5.387 -15.358 211 1HA GLY 28 2HA GLY 28 2.373 -5.152 -18.289 212 2HA GLY 28 1HA GLY 28 0.893 -4.750 -17.418 213 H THR 29 H THR 29 3.090 -3.283 -19.202 214 HA THR 29 HA THR 29 3.328 -0.888 -17.429 215 HB THR 29 HB THR 29 4.871 -1.353 -19.984 216 HG1 THR 29 HG1 THR 29 5.374 -3.073 -18.681 217 1HG2 THR 29 1HG2 THR 29 5.355 0.319 -17.505 218 2HG2 THR 29 2HG2 THR 29 4.868 0.923 -19.088 219 3HG2 THR 29 3HG2 THR 29 6.460 0.197 -18.874 220 H GLY 30 H GLY 30 2.657 1.146 -18.272 221 1HA GLY 30 2HA GLY 30 1.507 1.241 -20.986 222 2HA GLY 30 1HA GLY 30 0.358 1.449 -19.665 223 H MET 31 H MET 31 2.285 3.131 -21.768 224 HA MET 31 HA MET 31 2.376 5.480 -19.917 225 1HB MET 31 2HB MET 31 4.648 4.525 -20.500 226 2HB MET 31 1HB MET 31 4.317 4.943 -22.182 227 1HG MET 31 2HG MET 31 3.702 7.295 -20.952 228 2HG MET 31 1HG MET 31 4.988 6.702 -19.899 229 1HE MET 31 1HE MET 31 7.117 8.430 -20.615 230 2HE MET 31 2HE MET 31 5.492 9.089 -20.783 231 3HE MET 31 3HE MET 31 6.676 9.347 -22.063 232 H VAL 32 H VAL 32 0.702 6.748 -20.611 233 HA VAL 32 HA VAL 32 0.464 7.191 -23.562 234 HB VAL 32 HB VAL 32 -1.951 7.615 -23.162 235 1HG1 VAL 32 1HG1 VAL 32 -1.864 5.432 -23.814 236 2HG1 VAL 32 2HG1 VAL 32 -2.266 5.104 -22.129 237 3HG1 VAL 32 3HG1 VAL 32 -0.586 5.039 -22.663 238 1HG2 VAL 32 1HG2 VAL 32 -2.944 7.220 -21.014 239 2HG2 VAL 32 2HG2 VAL 32 -1.562 8.279 -20.729 240 3HG2 VAL 32 3HG2 VAL 32 -1.443 6.556 -20.371 241 H GLY 33 H GLY 33 -1.115 9.371 -23.665 242 1HA GLY 33 2HA GLY 33 -0.526 11.422 -21.738 243 2HA GLY 33 1HA GLY 33 0.579 11.548 -23.109 244 H ALA 34 H ALA 34 -0.720 13.701 -23.204 245 HA ALA 34 HA ALA 34 -3.027 13.257 -25.050 246 1HB ALA 34 1HB ALA 34 -2.954 14.728 -22.506 247 2HB ALA 34 2HB ALA 34 -4.341 14.141 -23.425 248 3HB ALA 34 3HB ALA 34 -3.589 15.680 -23.848 249 HA PRO 35 HA PRO 35 0.443 15.758 -26.980 250 1HB PRO 35 2HB PRO 35 -0.922 14.538 -29.336 251 2HB PRO 35 1HB PRO 35 0.811 14.681 -28.984 252 1HG PRO 35 2HG PRO 35 -0.497 12.364 -28.737 253 2HG PRO 35 1HG PRO 35 0.835 12.815 -27.659 254 1HD PRO 35 2HD PRO 35 -2.090 12.731 -27.098 255 2HD PRO 35 1HD PRO 35 -0.719 12.506 -25.990 256 H ALA 36 H ALA 36 -2.902 15.909 -26.808 257 HA ALA 36 HA ALA 36 -3.340 17.908 -28.896 258 1HB ALA 36 1HB ALA 36 -4.969 16.269 -27.265 259 2HB ALA 36 2HB ALA 36 -5.500 17.393 -28.516 260 3HB ALA 36 3HB ALA 36 -5.370 17.934 -26.842 261 H CYS 37 H CYS 37 -1.916 17.979 -25.847 262 HA CYS 37 HA CYS 37 -2.047 20.932 -25.827 263 1HB CYS 37 2HB CYS 37 -2.603 19.501 -23.242 264 2HB CYS 37 1HB CYS 37 -2.981 21.163 -23.695 265 HG CYS 37 HG CYS 37 -4.894 20.233 -25.249 266 H GLY 38 H GLY 38 -0.955 18.163 -23.823 267 1HA GLY 38 2HA GLY 38 1.679 18.013 -24.128 268 2HA GLY 38 1HA GLY 38 1.600 19.598 -23.355 269 H ASP 39 H ASP 39 -0.041 16.461 -22.791 270 HA ASP 39 HA ASP 39 0.862 16.667 -19.946 271 1HB ASP 39 2HB ASP 39 -1.694 15.273 -20.685 272 2HB ASP 39 1HB ASP 39 -1.242 16.038 -19.160 273 H VAL 40 H VAL 40 1.780 14.812 -19.114 274 HA VAL 40 HA VAL 40 1.719 12.387 -20.869 275 HB VAL 40 HB VAL 40 3.941 13.344 -20.925 276 1HG1 VAL 40 1HG1 VAL 40 4.308 13.087 -17.976 277 2HG1 VAL 40 2HG1 VAL 40 3.387 14.474 -18.558 278 3HG1 VAL 40 3HG1 VAL 40 5.044 14.225 -19.104 279 1HG2 VAL 40 1HG2 VAL 40 5.039 11.379 -20.513 280 2HG2 VAL 40 2HG2 VAL 40 3.411 10.771 -20.218 281 3HG2 VAL 40 3HG2 VAL 40 4.426 11.267 -18.864 282 H MET 41 H MET 41 1.161 10.479 -19.869 283 HA MET 41 HA MET 41 1.036 10.467 -16.886 284 1HB MET 41 2HB MET 41 -1.233 10.820 -17.438 285 2HB MET 41 1HB MET 41 -1.142 9.775 -18.857 286 1HG MET 41 2HG MET 41 -1.421 7.866 -17.634 287 2HG MET 41 1HG MET 41 -0.487 8.482 -16.271 288 1HE MET 41 1HE MET 41 -1.992 7.740 -14.347 289 2HE MET 41 2HE MET 41 -2.757 6.791 -15.620 290 3HE MET 41 3HE MET 41 -3.755 7.688 -14.478 291 H GLN 42 H GLN 42 1.740 8.556 -15.981 292 HA GLN 42 HA GLN 42 2.193 6.253 -17.833 293 1HB GLN 42 2HB GLN 42 4.305 7.563 -17.273 294 2HB GLN 42 1HB GLN 42 4.081 7.044 -15.603 295 1HG GLN 42 2HG GLN 42 4.131 4.686 -16.321 296 2HG GLN 42 1HG GLN 42 4.352 5.200 -17.994 297 1HE2 GLN 42 1HE2 GLN 42 5.890 5.701 -14.764 298 2HE2 GLN 42 2HE2 GLN 42 7.478 5.734 -15.366 299 H LEU 43 H LEU 43 1.268 4.409 -17.066 300 HA LEU 43 HA LEU 43 0.854 4.179 -14.117 301 1HB LEU 43 2HB LEU 43 -1.296 4.806 -15.015 302 2HB LEU 43 1HB LEU 43 -1.153 3.624 -16.317 303 HG LEU 43 HG LEU 43 -0.853 2.495 -13.609 304 1HD1 LEU 43 1HD1 LEU 43 -2.625 4.280 -13.320 305 2HD1 LEU 43 2HD1 LEU 43 -3.183 2.636 -13.009 306 3HD1 LEU 43 3HD1 LEU 43 -3.582 3.431 -14.532 307 1HD2 LEU 43 1HD2 LEU 43 -2.421 1.833 -16.116 308 2HD2 LEU 43 2HD2 LEU 43 -2.491 0.855 -14.651 309 3HD2 LEU 43 3HD2 LEU 43 -0.966 1.034 -15.519 310 H GLN 44 H GLN 44 1.467 2.215 -13.315 311 HA GLN 44 HA GLN 44 1.810 -0.039 -15.246 312 1HB GLN 44 2HB GLN 44 4.006 1.064 -14.666 313 2HB GLN 44 1HB GLN 44 3.724 0.611 -12.986 314 1HG GLN 44 2HG GLN 44 3.306 -1.784 -14.125 315 2HG GLN 44 1HG GLN 44 4.409 -1.107 -15.324 316 1HE2 GLN 44 1HE2 GLN 44 6.355 -2.190 -14.787 317 2HE2 GLN 44 2HE2 GLN 44 7.086 -2.108 -13.257 318 H ILE 45 H ILE 45 0.951 -1.950 -14.500 319 HA ILE 45 HA ILE 45 0.079 -1.992 -11.636 320 HB ILE 45 HB ILE 45 -1.655 -3.672 -12.514 321 1HG1 ILE 45 2HG1 ILE 45 -1.464 -2.382 -15.171 322 2HG1 ILE 45 1HG1 ILE 45 -0.179 -3.537 -14.812 323 1HG2 ILE 45 1HG2 ILE 45 -2.577 -1.349 -13.874 324 2HG2 ILE 45 2HG2 ILE 45 -1.580 -0.797 -12.528 325 3HG2 ILE 45 3HG2 ILE 45 -2.957 -1.857 -12.229 326 1HD1 ILE 45 1HD1 ILE 45 -3.165 -4.038 -14.759 327 2HD1 ILE 45 2HD1 ILE 45 -1.981 -5.172 -14.107 328 3HD1 ILE 45 3HD1 ILE 45 -1.973 -4.779 -15.827 329 H LYS 46 H LYS 46 0.350 -3.968 -10.491 330 HA LYS 46 HA LYS 46 2.294 -5.840 -11.778 331 1HB LYS 46 2HB LYS 46 2.915 -4.468 -9.656 332 2HB LYS 46 1HB LYS 46 1.861 -5.597 -8.805 333 1HG LYS 46 2HG LYS 46 3.257 -7.414 -10.119 334 2HG LYS 46 1HG LYS 46 4.457 -6.123 -10.210 335 1HD LYS 46 2HD LYS 46 4.153 -5.846 -7.689 336 2HD LYS 46 1HD LYS 46 3.261 -7.367 -7.726 337 1HE LYS 46 2HE LYS 46 6.168 -6.870 -8.302 338 2HE LYS 46 1HE LYS 46 5.434 -8.098 -7.271 339 1HZ LYS 46 1HZ LYS 46 4.478 -9.070 -9.345 340 2HZ LYS 46 2HZ LYS 46 6.170 -9.170 -9.230 341 3HZ LYS 46 3HZ LYS 46 5.450 -8.004 -10.234 342 H VAL 47 H VAL 47 1.762 -7.998 -11.882 343 HA VAL 47 HA VAL 47 -0.705 -8.878 -10.440 344 HB VAL 47 HB VAL 47 0.074 -9.308 -13.328 345 1HG1 VAL 47 1HG1 VAL 47 -1.757 -10.937 -11.561 346 2HG1 VAL 47 2HG1 VAL 47 -0.474 -11.511 -12.627 347 3HG1 VAL 47 3HG1 VAL 47 -1.970 -10.875 -13.311 348 1HG2 VAL 47 1HG2 VAL 47 -2.721 -8.811 -12.605 349 2HG2 VAL 47 2HG2 VAL 47 -1.698 -7.967 -13.768 350 3HG2 VAL 47 3HG2 VAL 47 -1.641 -7.527 -12.060 351 H ASP 48 H ASP 48 -0.096 -10.457 -9.033 352 HA ASP 48 HA ASP 48 1.530 -12.702 -9.980 353 1HB ASP 48 2HB ASP 48 2.632 -10.595 -8.166 354 2HB ASP 48 1HB ASP 48 3.059 -12.275 -7.844 355 H ASP 49 H ASP 49 -0.124 -11.058 -7.326 356 HA ASP 49 HA ASP 49 -0.192 -13.258 -5.508 357 1HB ASP 49 2HB ASP 49 -0.811 -10.943 -4.873 358 2HB ASP 49 1HB ASP 49 -2.248 -11.060 -5.886 359 H ASN 50 H ASN 50 -0.570 -14.492 -7.890 360 HA ASN 50 HA ASN 50 -1.947 -16.255 -8.674 361 1HB ASN 50 2HB ASN 50 -4.312 -15.204 -7.158 362 2HB ASN 50 1HB ASN 50 -3.865 -16.872 -7.515 363 1HD2 ASN 50 1HD2 ASN 50 -4.220 -15.000 -4.903 364 2HD2 ASN 50 2HD2 ASN 50 -2.933 -15.541 -3.936 365 H GLY 51 H GLY 51 -1.521 -14.145 -10.257 366 1HA GLY 51 2HA GLY 51 -2.413 -13.066 -12.144 367 2HA GLY 51 1HA GLY 51 -3.872 -14.029 -11.910 368 H ILE 52 H ILE 52 -3.283 -12.552 -9.024 369 HA ILE 52 HA ILE 52 -5.338 -10.494 -9.577 370 HB ILE 52 HB ILE 52 -4.091 -11.478 -6.995 371 1HG1 ILE 52 2HG1 ILE 52 -5.795 -12.870 -8.475 372 2HG1 ILE 52 1HG1 ILE 52 -5.983 -12.800 -6.724 373 1HG2 ILE 52 1HG2 ILE 52 -6.241 -9.418 -7.542 374 2HG2 ILE 52 2HG2 ILE 52 -4.730 -9.186 -6.664 375 3HG2 ILE 52 3HG2 ILE 52 -6.011 -10.175 -5.966 376 1HD1 ILE 52 1HD1 ILE 52 -8.077 -12.330 -8.178 377 2HD1 ILE 52 2HD1 ILE 52 -7.321 -10.771 -8.507 378 3HD1 ILE 52 3HD1 ILE 52 -7.732 -11.221 -6.852 379 H ILE 53 H ILE 53 -4.982 -8.294 -8.599 380 HA ILE 53 HA ILE 53 -2.195 -7.422 -9.146 381 HB ILE 53 HB ILE 53 -4.602 -5.656 -8.647 382 1HG1 ILE 53 2HG1 ILE 53 -3.691 -7.079 -11.150 383 2HG1 ILE 53 1HG1 ILE 53 -5.317 -6.983 -10.473 384 1HG2 ILE 53 1HG2 ILE 53 -3.299 -4.007 -9.855 385 2HG2 ILE 53 2HG2 ILE 53 -2.071 -5.208 -10.256 386 3HG2 ILE 53 3HG2 ILE 53 -2.280 -4.684 -8.585 387 1HD1 ILE 53 1HD1 ILE 53 -3.749 -4.794 -11.848 388 2HD1 ILE 53 2HD1 ILE 53 -5.193 -4.465 -10.890 389 3HD1 ILE 53 3HD1 ILE 53 -5.301 -5.480 -12.328 390 H GLU 54 H GLU 54 -0.904 -7.322 -7.375 391 HA GLU 54 HA GLU 54 -2.140 -6.813 -4.722 392 1HB GLU 54 2HB GLU 54 0.417 -7.265 -4.097 393 2HB GLU 54 1HB GLU 54 -0.696 -8.593 -4.427 394 1HG GLU 54 2HG GLU 54 0.085 -8.801 -6.687 395 2HG GLU 54 1HG GLU 54 1.004 -7.299 -6.572 396 H ASP 55 H ASP 55 0.307 -5.492 -6.933 397 HA ASP 55 HA ASP 55 0.276 -3.002 -5.277 398 1HB ASP 55 2HB ASP 55 2.585 -4.251 -6.793 399 2HB ASP 55 1HB ASP 55 2.628 -2.638 -6.078 400 H ALA 56 H ALA 56 0.374 -1.023 -6.466 401 HA ALA 56 HA ALA 56 0.210 -1.186 -9.418 402 1HB ALA 56 1HB ALA 56 -2.125 -1.385 -8.747 403 2HB ALA 56 2HB ALA 56 -1.859 0.227 -9.411 404 3HB ALA 56 3HB ALA 56 -1.964 0.000 -7.666 405 H LYS 57 H LYS 57 2.046 0.086 -9.666 406 HA LYS 57 HA LYS 57 2.230 2.626 -8.149 407 1HB LYS 57 2HB LYS 57 4.325 2.168 -10.122 408 2HB LYS 57 1HB LYS 57 4.462 2.378 -8.376 409 1HG LYS 57 2HG LYS 57 3.645 -0.028 -8.153 410 2HG LYS 57 1HG LYS 57 3.892 -0.176 -9.893 411 1HD LYS 57 2HD LYS 57 6.267 0.592 -9.545 412 2HD LYS 57 1HD LYS 57 5.984 0.494 -7.806 413 1HE LYS 57 2HE LYS 57 5.252 -1.922 -8.202 414 2HE LYS 57 1HE LYS 57 5.925 -1.758 -9.824 415 1HZ LYS 57 1HZ LYS 57 7.797 -0.764 -8.008 416 2HZ LYS 57 2HZ LYS 57 7.920 -2.145 -8.990 417 3HZ LYS 57 3HZ LYS 57 7.278 -2.268 -7.422 418 H PHE 58 H PHE 58 3.134 4.517 -9.602 419 HA PHE 58 HA PHE 58 2.205 4.584 -12.356 420 1HB PHE 58 2HB PHE 58 0.433 6.240 -12.055 421 2HB PHE 58 1HB PHE 58 0.053 4.801 -11.108 422 HD1 PHE 58 HD1 PHE 58 0.459 4.783 -8.640 423 HD2 PHE 58 HD2 PHE 58 0.887 8.347 -10.998 424 HE1 PHE 58 HE1 PHE 58 0.376 6.157 -6.578 425 HE2 PHE 58 HE2 PHE 58 0.803 9.722 -8.936 426 HZ PHE 58 HZ PHE 58 0.547 8.627 -6.726 427 H LYS 59 H LYS 59 2.272 7.056 -13.082 428 HA LYS 59 HA LYS 59 3.993 8.800 -11.526 429 1HB LYS 59 2HB LYS 59 5.240 6.828 -13.208 430 2HB LYS 59 1HB LYS 59 5.540 8.429 -13.883 431 1HG LYS 59 2HG LYS 59 6.247 9.178 -11.579 432 2HG LYS 59 1HG LYS 59 6.141 7.493 -11.065 433 1HD LYS 59 2HD LYS 59 7.732 6.926 -12.958 434 2HD LYS 59 1HD LYS 59 7.969 8.660 -13.177 435 1HE LYS 59 2HE LYS 59 9.132 8.892 -11.203 436 2HE LYS 59 1HE LYS 59 8.253 7.583 -10.410 437 1HZ LYS 59 1HZ LYS 59 9.924 6.242 -10.894 438 2HZ LYS 59 2HZ LYS 59 10.739 7.485 -11.716 439 3HZ LYS 59 3HZ LYS 59 9.651 6.481 -12.550 440 H THR 60 H THR 60 2.907 10.652 -12.025 441 HA THR 60 HA THR 60 2.483 11.248 -14.924 442 HB THR 60 HB THR 60 0.419 12.546 -14.103 443 HG1 THR 60 HG1 THR 60 0.659 10.749 -11.934 444 1HG2 THR 60 1HG2 THR 60 -0.390 10.755 -15.225 445 2HG2 THR 60 2HG2 THR 60 -0.662 10.053 -13.631 446 3HG2 THR 60 3HG2 THR 60 0.808 9.667 -14.524 447 H TYR 61 H TYR 61 4.257 12.649 -15.090 448 HA TYR 61 HA TYR 61 4.219 15.011 -13.254 449 1HB TYR 61 2HB TYR 61 6.404 13.349 -14.338 450 2HB TYR 61 1HB TYR 61 6.686 15.089 -14.439 451 HD1 TYR 61 HD1 TYR 61 7.024 12.277 -12.366 452 HD2 TYR 61 HD2 TYR 61 5.938 16.432 -12.237 453 HE1 TYR 61 HE1 TYR 61 7.542 12.338 -9.942 454 HE2 TYR 61 HE2 TYR 61 6.458 16.492 -9.814 455 HH TYR 61 HH TYR 61 6.579 14.072 -7.901 456 H GLY 62 H GLY 62 3.061 16.534 -14.372 457 1HA GLY 62 2HA GLY 62 4.105 18.031 -16.462 458 2HA GLY 62 1HA GLY 62 3.162 16.773 -17.265 459 H CYS 63 H CYS 63 1.085 16.509 -15.366 460 HA CYS 63 HA CYS 63 -0.290 19.132 -15.743 461 1HB CYS 63 2HB CYS 63 -1.580 17.503 -16.845 462 2HB CYS 63 1HB CYS 63 -1.261 16.284 -15.612 463 HG CYS 63 HG CYS 63 -2.894 17.533 -14.005 464 H GLY 64 H GLY 64 -0.007 20.283 -13.868 465 1HA GLY 64 2HA GLY 64 0.291 19.084 -11.272 466 2HA GLY 64 1HA GLY 64 -0.035 20.790 -11.575 467 H SER 65 H SER 65 -1.661 17.611 -11.509 468 HA SER 65 HA SER 65 -3.729 18.225 -9.788 469 1HB SER 65 2HB SER 65 -5.556 18.693 -11.666 470 2HB SER 65 1HB SER 65 -4.654 20.012 -10.926 471 HG SER 65 HG SER 65 -4.437 18.871 -13.464 472 H ALA 66 H ALA 66 -3.209 16.863 -13.039 473 HA ALA 66 HA ALA 66 -5.170 14.828 -12.944 474 1HB ALA 66 1HB ALA 66 -3.853 13.685 -14.637 475 2HB ALA 66 2HB ALA 66 -2.416 14.608 -14.192 476 3HB ALA 66 3HB ALA 66 -3.786 15.421 -14.948 477 H ILE 67 H ILE 67 -2.793 15.282 -10.720 478 HA ILE 67 HA ILE 67 -1.870 12.556 -10.348 479 HB ILE 67 HB ILE 67 -1.667 15.135 -8.860 480 1HG1 ILE 67 2HG1 ILE 67 0.706 14.520 -8.862 481 2HG1 ILE 67 1HG1 ILE 67 0.310 12.918 -9.485 482 1HG2 ILE 67 1HG2 ILE 67 -2.290 13.873 -6.976 483 2HG2 ILE 67 2HG2 ILE 67 -0.533 13.717 -6.987 484 3HG2 ILE 67 3HG2 ILE 67 -1.538 12.403 -7.595 485 1HD1 ILE 67 1HD1 ILE 67 -0.038 13.685 -11.608 486 2HD1 ILE 67 2HD1 ILE 67 0.995 15.012 -11.076 487 3HD1 ILE 67 3HD1 ILE 67 -0.759 15.196 -11.052 488 H ALA 68 H ALA 68 -4.182 14.595 -8.517 489 HA ALA 68 HA ALA 68 -5.139 12.909 -6.610 490 1HB ALA 68 1HB ALA 68 -6.639 14.706 -8.504 491 2HB ALA 68 2HB ALA 68 -6.305 14.939 -6.788 492 3HB ALA 68 3HB ALA 68 -7.512 13.760 -7.298 493 H SER 69 H SER 69 -6.827 12.900 -9.763 494 HA SER 69 HA SER 69 -8.182 10.495 -9.496 495 1HB SER 69 2HB SER 69 -8.196 12.144 -11.475 496 2HB SER 69 1HB SER 69 -6.815 11.236 -12.087 497 HG SER 69 HG SER 69 -9.311 10.652 -12.425 498 H SER 70 H SER 70 -4.813 10.922 -10.584 499 HA SER 70 HA SER 70 -4.195 8.279 -11.270 500 1HB SER 70 2HB SER 70 -2.726 10.507 -11.127 501 2HB SER 70 1HB SER 70 -2.206 9.770 -9.614 502 HG SER 70 HG SER 70 -1.711 7.878 -10.835 503 H SER 71 H SER 71 -4.462 9.719 -8.043 504 HA SER 71 HA SER 71 -3.506 7.324 -6.687 505 1HB SER 71 2HB SER 71 -3.598 8.606 -4.810 506 2HB SER 71 1HB SER 71 -3.840 9.940 -5.935 507 HG SER 71 HG SER 71 -5.734 8.480 -4.438 508 H LEU 72 H LEU 72 -6.630 8.588 -7.702 509 HA LEU 72 HA LEU 72 -8.199 6.715 -6.139 510 1HB LEU 72 2HB LEU 72 -9.163 8.824 -6.969 511 2HB LEU 72 1HB LEU 72 -8.924 8.286 -8.631 512 HG LEU 72 HG LEU 72 -10.297 6.171 -7.444 513 1HD1 LEU 72 1HD1 LEU 72 -11.530 8.805 -6.581 514 2HD1 LEU 72 2HD1 LEU 72 -10.748 7.657 -5.494 515 3HD1 LEU 72 3HD1 LEU 72 -12.224 7.200 -6.347 516 1HD2 LEU 72 1HD2 LEU 72 -12.056 6.791 -8.954 517 2HD2 LEU 72 2HD2 LEU 72 -10.550 7.289 -9.724 518 3HD2 LEU 72 3HD2 LEU 72 -11.571 8.485 -8.925 519 H ILE 73 H ILE 73 -7.445 6.875 -9.643 520 HA ILE 73 HA ILE 73 -8.577 4.365 -10.318 521 HB ILE 73 HB ILE 73 -7.881 5.997 -12.017 522 1HG1 ILE 73 2HG1 ILE 73 -6.129 3.573 -12.410 523 2HG1 ILE 73 1HG1 ILE 73 -7.886 3.418 -12.389 524 1HG2 ILE 73 1HG2 ILE 73 -5.698 6.714 -12.309 525 2HG2 ILE 73 2HG2 ILE 73 -5.012 5.228 -11.652 526 3HG2 ILE 73 3HG2 ILE 73 -5.691 6.439 -10.566 527 1HD1 ILE 73 1HD1 ILE 73 -6.505 5.450 -14.142 528 2HD1 ILE 73 2HD1 ILE 73 -8.147 4.821 -14.281 529 3HD1 ILE 73 3HD1 ILE 73 -6.771 3.792 -14.683 530 H THR 74 H THR 74 -5.208 5.154 -9.413 531 HA THR 74 HA THR 74 -4.209 2.493 -9.603 532 HB THR 74 HB THR 74 -2.482 3.355 -7.908 533 HG1 THR 74 HG1 THR 74 -4.268 5.033 -7.348 534 1HG2 THR 74 1HG2 THR 74 -1.501 3.731 -9.902 535 2HG2 THR 74 2HG2 THR 74 -2.099 5.386 -9.778 536 3HG2 THR 74 3HG2 THR 74 -3.037 4.172 -10.648 537 H GLU 75 H GLU 75 -5.911 4.175 -6.998 538 HA GLU 75 HA GLU 75 -5.502 1.945 -5.129 539 1HB GLU 75 2HB GLU 75 -6.893 4.600 -5.032 540 2HB GLU 75 1HB GLU 75 -7.329 3.365 -3.851 541 1HG GLU 75 2HG GLU 75 -5.143 3.272 -2.961 542 2HG GLU 75 1HG GLU 75 -4.444 4.073 -4.369 543 H TRP 76 H TRP 76 -7.556 2.542 -7.727 544 HA TRP 76 HA TRP 76 -9.890 1.154 -6.585 545 1HB TRP 76 2HB TRP 76 -9.276 2.645 -9.068 546 2HB TRP 76 1HB TRP 76 -10.401 1.301 -9.256 547 HD1 TRP 76 HD1 TRP 76 -10.111 3.520 -6.134 548 HE1 TRP 76 HE1 TRP 76 -12.370 4.708 -5.764 549 HE3 TRP 76 HE3 TRP 76 -12.589 2.038 -10.347 550 HZ2 TRP 76 HZ2 TRP 76 -14.893 4.991 -7.080 551 HZ3 TRP 76 HZ3 TRP 76 -14.917 2.780 -10.762 552 HH2 TRP 76 HH2 TRP 76 -16.071 4.254 -9.137 553 H VAL 77 H VAL 77 -7.237 0.502 -8.840 554 HA VAL 77 HA VAL 77 -8.261 -2.213 -9.373 555 HB VAL 77 HB VAL 77 -6.244 -2.414 -10.806 556 1HG1 VAL 77 1HG1 VAL 77 -8.100 -0.065 -11.052 557 2HG1 VAL 77 2HG1 VAL 77 -8.037 -1.539 -12.018 558 3HG1 VAL 77 3HG1 VAL 77 -6.817 -0.286 -12.241 559 1HG2 VAL 77 1HG2 VAL 77 -4.880 -0.887 -9.255 560 2HG2 VAL 77 2HG2 VAL 77 -5.672 0.463 -10.066 561 3HG2 VAL 77 3HG2 VAL 77 -4.654 -0.643 -10.986 562 H LYS 78 H LYS 78 -5.872 -0.606 -7.382 563 HA LYS 78 HA LYS 78 -4.113 -2.663 -6.723 564 1HB LYS 78 2HB LYS 78 -4.541 -0.172 -5.745 565 2HB LYS 78 1HB LYS 78 -5.177 -1.136 -4.410 566 1HG LYS 78 2HG LYS 78 -3.040 -2.470 -4.457 567 2HG LYS 78 1HG LYS 78 -2.409 -1.314 -5.631 568 1HD LYS 78 2HD LYS 78 -3.265 0.419 -3.761 569 2HD LYS 78 1HD LYS 78 -2.930 -0.964 -2.720 570 1HE LYS 78 2HE LYS 78 -0.910 0.364 -2.868 571 2HE LYS 78 1HE LYS 78 -0.654 -1.123 -3.781 572 1HZ LYS 78 1HZ LYS 78 -1.045 1.616 -4.754 573 2HZ LYS 78 2HZ LYS 78 -1.579 0.326 -5.724 574 3HZ LYS 78 3HZ LYS 78 0.055 0.435 -5.273 575 H GLY 79 H GLY 79 -5.109 -4.719 -6.714 576 1HA GLY 79 2HA GLY 79 -5.744 -6.330 -4.877 577 2HA GLY 79 1HA GLY 79 -7.013 -5.182 -4.451 578 H LYS 80 H LYS 80 -7.517 -4.621 -7.362 579 HA LYS 80 HA LYS 80 -9.516 -6.689 -7.761 580 1HB LYS 80 2HB LYS 80 -8.566 -4.522 -9.660 581 2HB LYS 80 1HB LYS 80 -10.047 -5.467 -9.825 582 1HG LYS 80 2HG LYS 80 -10.520 -4.585 -7.383 583 2HG LYS 80 1HG LYS 80 -9.387 -3.315 -7.845 584 1HD LYS 80 2HD LYS 80 -11.178 -2.293 -8.785 585 2HD LYS 80 1HD LYS 80 -11.021 -3.498 -10.066 586 1HE LYS 80 2HE LYS 80 -12.433 -4.991 -8.398 587 2HE LYS 80 1HE LYS 80 -12.931 -3.425 -7.756 588 1HZ LYS 80 1HZ LYS 80 -14.177 -3.022 -9.539 589 2HZ LYS 80 2HZ LYS 80 -14.013 -4.671 -9.911 590 3HZ LYS 80 3HZ LYS 80 -12.974 -3.529 -10.620 591 H SER 81 H SER 81 -9.426 -7.185 -10.503 592 HA SER 81 HA SER 81 -6.803 -8.581 -10.847 593 1HB SER 81 2HB SER 81 -9.212 -9.846 -12.026 594 2HB SER 81 1HB SER 81 -7.808 -10.590 -11.267 595 HG SER 81 HG SER 81 -8.736 -9.607 -9.261 596 H LEU 82 H LEU 82 -6.362 -9.110 -13.177 597 HA LEU 82 HA LEU 82 -6.585 -6.840 -14.845 598 1HB LEU 82 2HB LEU 82 -6.039 -9.753 -15.423 599 2HB LEU 82 1HB LEU 82 -6.090 -8.557 -16.719 600 HG LEU 82 HG LEU 82 -4.419 -8.040 -14.273 601 1HD1 LEU 82 1HD1 LEU 82 -2.502 -9.036 -15.649 602 2HD1 LEU 82 2HD1 LEU 82 -3.744 -9.813 -16.630 603 3HD1 LEU 82 3HD1 LEU 82 -3.611 -10.193 -14.913 604 1HD2 LEU 82 1HD2 LEU 82 -3.063 -6.826 -16.030 605 2HD2 LEU 82 2HD2 LEU 82 -4.696 -6.195 -15.813 606 3HD2 LEU 82 3HD2 LEU 82 -4.326 -7.228 -17.194 607 H GLU 83 H GLU 83 -8.662 -9.699 -14.583 608 HA GLU 83 HA GLU 83 -10.301 -9.268 -16.847 609 1HB GLU 83 2HB GLU 83 -10.547 -11.299 -15.567 610 2HB GLU 83 1HB GLU 83 -10.975 -10.392 -14.116 611 1HG GLU 83 2HG GLU 83 -12.647 -9.881 -16.517 612 2HG GLU 83 1HG GLU 83 -12.826 -11.467 -15.767 613 H GLU 84 H GLU 84 -10.287 -7.699 -13.694 614 HA GLU 84 HA GLU 84 -12.777 -6.243 -14.253 615 1HB GLU 84 2HB GLU 84 -10.760 -6.175 -12.002 616 2HB GLU 84 1HB GLU 84 -12.092 -5.022 -12.099 617 1HG GLU 84 2HG GLU 84 -13.682 -6.956 -12.235 618 2HG GLU 84 1HG GLU 84 -12.320 -8.042 -11.965 619 H ALA 85 H ALA 85 -9.290 -5.511 -14.082 620 HA ALA 85 HA ALA 85 -9.502 -2.716 -14.603 621 1HB ALA 85 1HB ALA 85 -7.240 -2.801 -14.563 622 2HB ALA 85 2HB ALA 85 -7.186 -3.987 -15.867 623 3HB ALA 85 3HB ALA 85 -7.422 -4.517 -14.202 624 H GLY 86 H GLY 86 -9.634 -5.520 -16.713 625 1HA GLY 86 2HA GLY 86 -9.561 -3.837 -19.137 626 2HA GLY 86 1HA GLY 86 -9.685 -5.597 -19.103 627 H ALA 87 H ALA 87 -11.684 -3.167 -17.434 628 HA ALA 87 HA ALA 87 -13.958 -3.681 -19.218 629 1HB ALA 87 1HB ALA 87 -13.707 -4.918 -16.512 630 2HB ALA 87 2HB ALA 87 -14.529 -5.524 -17.950 631 3HB ALA 87 3HB ALA 87 -15.285 -4.271 -16.964 632 H ILE 88 H ILE 88 -12.674 -2.226 -16.267 633 HA ILE 88 HA ILE 88 -14.718 -0.399 -15.655 634 HB ILE 88 HB ILE 88 -12.662 1.112 -14.997 635 1HG1 ILE 88 2HG1 ILE 88 -11.329 -1.571 -15.475 636 2HG1 ILE 88 1HG1 ILE 88 -11.111 -0.160 -16.512 637 1HG2 ILE 88 1HG2 ILE 88 -14.098 -0.327 -13.493 638 2HG2 ILE 88 2HG2 ILE 88 -12.428 -0.152 -12.955 639 3HG2 ILE 88 3HG2 ILE 88 -12.947 -1.637 -13.755 640 1HD1 ILE 88 1HD1 ILE 88 -10.561 -0.118 -13.536 641 2HD1 ILE 88 2HD1 ILE 88 -10.114 1.102 -14.729 642 3HD1 ILE 88 3HD1 ILE 88 -9.321 -0.473 -14.738 643 H LYS 89 H LYS 89 -14.943 1.886 -16.239 644 HA LYS 89 HA LYS 89 -13.780 2.550 -18.913 645 1HB LYS 89 2HB LYS 89 -16.640 2.754 -17.966 646 2HB LYS 89 1HB LYS 89 -16.039 3.758 -19.285 647 1HG LYS 89 2HG LYS 89 -15.777 1.967 -20.716 648 2HG LYS 89 1HG LYS 89 -15.458 0.832 -19.404 649 1HD LYS 89 2HD LYS 89 -17.766 0.681 -18.834 650 2HD LYS 89 1HD LYS 89 -18.175 2.090 -19.813 651 1HE LYS 89 2HE LYS 89 -16.954 -0.365 -21.068 652 2HE LYS 89 1HE LYS 89 -18.693 -0.256 -20.792 653 1HZ LYS 89 1HZ LYS 89 -16.990 1.444 -22.504 654 2HZ LYS 89 2HZ LYS 89 -18.506 1.984 -21.960 655 3HZ LYS 89 3HZ LYS 89 -18.394 0.588 -22.922 656 H ASN 90 H ASN 90 -13.866 4.959 -19.331 657 HA ASN 90 HA ASN 90 -12.777 6.392 -17.082 658 1HB ASN 90 2HB ASN 90 -13.236 8.399 -18.741 659 2HB ASN 90 1HB ASN 90 -11.981 7.215 -19.108 660 1HD2 ASN 90 1HD2 ASN 90 -14.837 8.663 -20.321 661 2HD2 ASN 90 2HD2 ASN 90 -15.117 7.585 -21.601 662 H SER 91 H SER 91 -15.992 6.125 -18.472 663 HA SER 91 HA SER 91 -17.183 8.410 -17.258 664 1HB SER 91 2HB SER 91 -19.322 7.111 -17.476 665 2HB SER 91 1HB SER 91 -18.376 7.160 -18.962 666 HG SER 91 HG SER 91 -19.262 5.040 -17.997 667 H GLN 92 H GLN 92 -16.321 5.265 -15.969 668 HA GLN 92 HA GLN 92 -17.921 5.265 -13.622 669 1HB GLN 92 2HB GLN 92 -15.077 4.236 -13.782 670 2HB GLN 92 1HB GLN 92 -16.382 3.644 -12.753 671 1HG GLN 92 2HG GLN 92 -16.096 3.371 -15.749 672 2HG GLN 92 1HG GLN 92 -16.275 2.091 -14.548 673 1HE2 GLN 92 1HE2 GLN 92 -18.407 1.506 -13.911 674 2HE2 GLN 92 2HE2 GLN 92 -19.803 2.249 -14.527 675 H ILE 93 H ILE 93 -14.521 6.362 -13.973 676 HA ILE 93 HA ILE 93 -14.479 7.575 -11.351 677 HB ILE 93 HB ILE 93 -12.695 8.024 -13.764 678 1HG1 ILE 93 2HG1 ILE 93 -11.439 6.614 -11.622 679 2HG1 ILE 93 1HG1 ILE 93 -12.988 5.832 -11.933 680 1HG2 ILE 93 1HG2 ILE 93 -12.830 9.287 -11.132 681 2HG2 ILE 93 2HG2 ILE 93 -11.888 9.750 -12.549 682 3HG2 ILE 93 3HG2 ILE 93 -11.263 8.536 -11.433 683 1HD1 ILE 93 1HD1 ILE 93 -10.706 6.288 -13.855 684 2HD1 ILE 93 2HD1 ILE 93 -12.339 5.944 -14.426 685 3HD1 ILE 93 3HD1 ILE 93 -11.488 4.767 -13.424 686 H ALA 94 H ALA 94 -15.073 8.808 -14.627 687 HA ALA 94 HA ALA 94 -15.090 11.572 -14.078 688 1HB ALA 94 1HB ALA 94 -15.779 11.691 -16.223 689 2HB ALA 94 2HB ALA 94 -17.276 10.839 -15.847 690 3HB ALA 94 3HB ALA 94 -15.816 9.928 -16.233 691 H GLU 95 H GLU 95 -17.511 9.113 -13.361 692 HA GLU 95 HA GLU 95 -19.495 11.114 -12.527 693 1HB GLU 95 2HB GLU 95 -19.420 8.089 -12.361 694 2HB GLU 95 1HB GLU 95 -20.766 9.062 -11.765 695 1HG GLU 95 2HG GLU 95 -19.804 9.551 -14.555 696 2HG GLU 95 1HG GLU 95 -20.766 8.105 -14.247 697 H GLU 96 H GLU 96 -17.347 8.741 -10.957 698 HA GLU 96 HA GLU 96 -18.206 9.279 -8.281 699 1HB GLU 96 2HB GLU 96 -16.843 7.302 -8.917 700 2HB GLU 96 1HB GLU 96 -15.474 8.369 -9.235 701 1HG GLU 96 2HG GLU 96 -16.878 8.382 -6.564 702 2HG GLU 96 1HG GLU 96 -15.584 7.234 -6.913 703 H LEU 97 H LEU 97 -16.146 11.031 -10.468 704 HA LEU 97 HA LEU 97 -15.105 12.714 -8.249 705 1HB LEU 97 2HB LEU 97 -14.171 11.974 -10.897 706 2HB LEU 97 1HB LEU 97 -14.190 13.729 -10.708 707 HG LEU 97 HG LEU 97 -13.004 11.899 -8.613 708 1HD1 LEU 97 1HD1 LEU 97 -11.908 11.636 -10.893 709 2HD1 LEU 97 2HD1 LEU 97 -10.841 12.203 -9.608 710 3HD1 LEU 97 3HD1 LEU 97 -11.477 13.344 -10.793 711 1HD2 LEU 97 1HD2 LEU 97 -13.059 14.847 -9.192 712 2HD2 LEU 97 2HD2 LEU 97 -11.672 14.165 -8.343 713 3HD2 LEU 97 3HD2 LEU 97 -13.290 14.007 -7.658 714 H GLU 98 H GLU 98 -17.130 12.899 -11.154 715 HA GLU 98 HA GLU 98 -18.769 14.479 -11.734 716 1HB GLU 98 2HB GLU 98 -18.932 14.334 -9.022 717 2HB GLU 98 1HB GLU 98 -18.492 16.031 -9.223 718 1HG GLU 98 2HG GLU 98 -20.800 16.178 -9.406 719 2HG GLU 98 1HG GLU 98 -20.363 15.952 -11.100 720 H LEU 99 H LEU 99 -16.890 15.180 -13.159 721 HA LEU 99 HA LEU 99 -16.064 17.959 -12.414 722 1HB LEU 99 2HB LEU 99 -13.998 17.557 -13.758 723 2HB LEU 99 1HB LEU 99 -14.112 16.488 -12.360 724 HG LEU 99 HG LEU 99 -15.435 15.370 -14.712 725 1HD1 LEU 99 1HD1 LEU 99 -12.447 15.886 -14.837 726 2HD1 LEU 99 2HD1 LEU 99 -13.657 16.630 -15.883 727 3HD1 LEU 99 3HD1 LEU 99 -13.367 14.893 -15.966 728 1HD2 LEU 99 1HD2 LEU 99 -14.930 14.034 -12.756 729 2HD2 LEU 99 2HD2 LEU 99 -13.224 14.480 -12.835 730 3HD2 LEU 99 3HD2 LEU 99 -13.925 13.449 -14.083 731 HA PRO 100 HA PRO 100 -18.090 19.288 -16.092 732 1HB PRO 100 2HB PRO 100 -16.345 21.313 -16.856 733 2HB PRO 100 1HB PRO 100 -17.623 21.478 -15.639 734 1HG PRO 100 2HG PRO 100 -14.708 21.059 -15.280 735 2HG PRO 100 1HG PRO 100 -15.849 21.995 -14.300 736 1HD PRO 100 2HD PRO 100 -14.926 19.549 -13.530 737 2HD PRO 100 1HD PRO 100 -16.543 20.144 -13.091 738 HA PRO 101 HA PRO 101 -16.146 17.350 -19.549 739 1HB PRO 101 2HB PRO 101 -17.249 18.769 -21.625 740 2HB PRO 101 1HB PRO 101 -18.125 17.538 -20.698 741 1HG PRO 101 2HG PRO 101 -18.239 20.498 -20.491 742 2HG PRO 101 1HG PRO 101 -19.532 19.300 -20.319 743 1HD PRO 101 2HD PRO 101 -18.326 20.530 -18.180 744 2HD PRO 101 1HD PRO 101 -19.060 18.913 -18.093 745 H VAL 102 H VAL 102 -15.008 20.111 -18.429 746 HA VAL 102 HA VAL 102 -13.448 20.834 -20.868 747 HB VAL 102 HB VAL 102 -12.977 22.929 -19.814 748 1HG1 VAL 102 1HG1 VAL 102 -15.397 22.400 -20.607 749 2HG1 VAL 102 2HG1 VAL 102 -15.140 23.842 -19.624 750 3HG1 VAL 102 3HG1 VAL 102 -15.792 22.378 -18.888 751 1HG2 VAL 102 1HG2 VAL 102 -14.112 21.650 -17.307 752 2HG2 VAL 102 2HG2 VAL 102 -13.676 23.354 -17.445 753 3HG2 VAL 102 3HG2 VAL 102 -12.431 22.111 -17.581 754 H LYS 103 H LYS 103 -13.104 18.547 -18.767 755 HA LYS 103 HA LYS 103 -10.170 18.827 -18.637 756 1HB LYS 103 2HB LYS 103 -11.621 19.614 -16.438 757 2HB LYS 103 1HB LYS 103 -11.297 17.919 -16.072 758 1HG LYS 103 2HG LYS 103 -8.853 18.519 -16.846 759 2HG LYS 103 1HG LYS 103 -9.355 20.171 -16.484 760 1HD LYS 103 2HD LYS 103 -10.241 19.066 -14.245 761 2HD LYS 103 1HD LYS 103 -9.031 17.841 -14.630 762 1HE LYS 103 2HE LYS 103 -8.422 20.805 -14.563 763 2HE LYS 103 1HE LYS 103 -8.192 19.741 -13.176 764 1HZ LYS 103 1HZ LYS 103 -6.463 20.149 -15.311 765 2HZ LYS 103 2HZ LYS 103 -7.051 18.562 -15.461 766 3HZ LYS 103 3HZ LYS 103 -6.285 19.056 -14.027 767 H VAL 104 H VAL 104 -12.482 17.067 -19.743 768 HA VAL 104 HA VAL 104 -12.384 14.506 -18.534 769 HB VAL 104 HB VAL 104 -12.576 14.991 -21.515 770 1HG1 VAL 104 1HG1 VAL 104 -13.789 12.963 -21.560 771 2HG1 VAL 104 2HG1 VAL 104 -14.086 13.000 -19.822 772 3HG1 VAL 104 3HG1 VAL 104 -12.471 12.638 -20.434 773 1HG2 VAL 104 1HG2 VAL 104 -15.137 14.854 -20.209 774 2HG2 VAL 104 2HG2 VAL 104 -14.481 16.155 -21.202 775 3HG2 VAL 104 3HG2 VAL 104 -14.185 16.139 -19.465 776 H HIS 105 H HIS 105 -9.931 16.237 -20.157 777 HA HIS 105 HA HIS 105 -8.427 14.263 -21.461 778 1HB HIS 105 2HB HIS 105 -7.508 16.611 -19.780 779 2HB HIS 105 1HB HIS 105 -6.413 15.629 -20.755 780 HD2 HIS 105 HD2 HIS 105 -6.751 15.925 -23.590 781 HE1 HIS 105 HE1 HIS 105 -9.401 19.202 -23.331 782 HE2 HIS 105 HE2 HIS 105 -7.969 17.821 -24.904 783 H CYS 106 H CYS 106 -8.957 14.730 -18.035 784 HA CYS 106 HA CYS 106 -6.773 12.983 -17.207 785 1HB CYS 106 2HB CYS 106 -9.049 14.381 -15.859 786 2HB CYS 106 1HB CYS 106 -8.299 13.020 -15.025 787 HG CYS 106 HG CYS 106 -7.131 15.683 -14.976 788 H SER 107 H SER 107 -10.234 12.537 -16.468 789 HA SER 107 HA SER 107 -10.324 9.857 -15.995 790 1HB SER 107 2HB SER 107 -12.207 11.794 -17.009 791 2HB SER 107 1HB SER 107 -12.473 10.240 -17.796 792 HG SER 107 HG SER 107 -13.610 10.255 -15.880 793 H ILE 108 H ILE 108 -9.842 11.343 -19.157 794 HA ILE 108 HA ILE 108 -10.118 8.920 -20.692 795 HB ILE 108 HB ILE 108 -8.926 11.631 -21.168 796 1HG1 ILE 108 2HG1 ILE 108 -10.876 10.009 -22.820 797 2HG1 ILE 108 1HG1 ILE 108 -11.392 10.994 -21.451 798 1HG2 ILE 108 1HG2 ILE 108 -7.273 10.471 -22.325 799 2HG2 ILE 108 2HG2 ILE 108 -8.510 10.618 -23.573 800 3HG2 ILE 108 3HG2 ILE 108 -8.334 9.108 -22.679 801 1HD1 ILE 108 1HD1 ILE 108 -9.959 11.958 -23.943 802 2HD1 ILE 108 2HD1 ILE 108 -10.269 12.966 -22.530 803 3HD1 ILE 108 3HD1 ILE 108 -11.617 12.323 -23.467 804 H LEU 109 H LEU 109 -7.192 10.700 -19.629 805 HA LEU 109 HA LEU 109 -5.325 8.723 -20.470 806 1HB LEU 109 2HB LEU 109 -5.307 11.023 -18.587 807 2HB LEU 109 1HB LEU 109 -4.056 9.805 -18.340 808 HG LEU 109 HG LEU 109 -3.266 10.047 -20.604 809 1HD1 LEU 109 1HD1 LEU 109 -5.862 11.499 -20.928 810 2HD1 LEU 109 2HD1 LEU 109 -5.090 10.331 -22.000 811 3HD1 LEU 109 3HD1 LEU 109 -4.501 11.993 -21.935 812 1HD2 LEU 109 1HD2 LEU 109 -2.189 11.741 -19.466 813 2HD2 LEU 109 2HD2 LEU 109 -3.697 12.506 -18.968 814 3HD2 LEU 109 3HD2 LEU 109 -3.096 12.729 -20.611 815 H ALA 110 H ALA 110 -7.543 8.767 -17.826 816 HA ALA 110 HA ALA 110 -6.115 6.919 -16.112 817 1HB ALA 110 1HB ALA 110 -8.792 6.595 -15.504 818 2HB ALA 110 2HB ALA 110 -8.742 8.230 -16.163 819 3HB ALA 110 3HB ALA 110 -7.727 7.803 -14.785 820 H GLU 111 H GLU 111 -9.128 6.396 -17.991 821 HA GLU 111 HA GLU 111 -8.922 3.540 -17.879 822 1HB GLU 111 2HB GLU 111 -11.062 4.564 -18.357 823 2HB GLU 111 1HB GLU 111 -10.411 5.363 -19.789 824 1HG GLU 111 2HG GLU 111 -10.011 2.446 -19.771 825 2HG GLU 111 1HG GLU 111 -11.705 2.935 -19.808 826 H ASP 112 H ASP 112 -8.021 5.884 -20.423 827 HA ASP 112 HA ASP 112 -7.137 4.043 -22.371 828 1HB ASP 112 2HB ASP 112 -7.191 6.747 -22.232 829 2HB ASP 112 1HB ASP 112 -5.467 6.470 -21.982 830 H ALA 113 H ALA 113 -5.516 5.250 -19.470 831 HA ALA 113 HA ALA 113 -2.923 4.176 -20.022 832 1HB ALA 113 1HB ALA 113 -2.736 5.534 -18.196 833 2HB ALA 113 2HB ALA 113 -3.074 4.051 -17.303 834 3HB ALA 113 3HB ALA 113 -4.376 5.188 -17.648 835 H ILE 114 H ILE 114 -5.507 2.848 -17.913 836 HA ILE 114 HA ILE 114 -4.330 0.373 -17.359 837 HB ILE 114 HB ILE 114 -6.737 1.487 -16.784 838 1HG1 ILE 114 2HG1 ILE 114 -7.273 -1.092 -16.148 839 2HG1 ILE 114 1HG1 ILE 114 -5.547 -1.219 -16.483 840 1HG2 ILE 114 1HG2 ILE 114 -8.533 0.253 -17.787 841 2HG2 ILE 114 2HG2 ILE 114 -7.412 -0.841 -18.598 842 3HG2 ILE 114 3HG2 ILE 114 -7.531 0.841 -19.112 843 1HD1 ILE 114 1HD1 ILE 114 -5.314 0.883 -14.980 844 2HD1 ILE 114 2HD1 ILE 114 -5.623 -0.664 -14.191 845 3HD1 ILE 114 3HD1 ILE 114 -6.940 0.486 -14.423 846 H LYS 115 H LYS 115 -6.046 1.395 -20.277 847 HA LYS 115 HA LYS 115 -6.213 -1.174 -21.522 848 1HB LYS 115 2HB LYS 115 -7.497 0.675 -22.409 849 2HB LYS 115 1HB LYS 115 -6.032 1.613 -22.703 850 1HG LYS 115 2HG LYS 115 -5.729 0.624 -24.702 851 2HG LYS 115 1HG LYS 115 -5.831 -0.980 -23.974 852 1HD LYS 115 2HD LYS 115 -8.156 -1.109 -24.277 853 2HD LYS 115 1HD LYS 115 -8.327 0.638 -24.443 854 1HE LYS 115 2HE LYS 115 -7.698 0.632 -26.653 855 2HE LYS 115 1HE LYS 115 -6.605 -0.738 -26.445 856 1HZ LYS 115 1HZ LYS 115 -8.673 -1.202 -27.745 857 2HZ LYS 115 2HZ LYS 115 -9.555 -0.985 -26.310 858 3HZ LYS 115 3HZ LYS 115 -8.411 -2.235 -26.426 859 H ALA 116 H ALA 116 -3.659 1.288 -21.472 860 HA ALA 116 HA ALA 116 -1.977 -0.034 -23.409 861 1HB ALA 116 1HB ALA 116 -1.333 1.956 -21.213 862 2HB ALA 116 2HB ALA 116 -1.619 2.315 -22.916 863 3HB ALA 116 3HB ALA 116 -0.176 1.424 -22.432 864 H ALA 117 H ALA 117 -2.136 -0.103 -19.850 865 HA ALA 117 HA ALA 117 0.147 -1.770 -19.451 866 1HB ALA 117 1HB ALA 117 -0.769 -2.203 -17.246 867 2HB ALA 117 2HB ALA 117 -2.374 -1.693 -17.769 868 3HB ALA 117 3HB ALA 117 -1.070 -0.512 -17.648 869 H ILE 118 H ILE 118 -3.266 -2.543 -20.067 870 HA ILE 118 HA ILE 118 -2.928 -5.395 -19.745 871 HB ILE 118 HB ILE 118 -5.033 -3.779 -21.213 872 1HG1 ILE 118 2HG1 ILE 118 -5.135 -5.205 -18.536 873 2HG1 ILE 118 1HG1 ILE 118 -4.827 -3.477 -18.718 874 1HG2 ILE 118 1HG2 ILE 118 -5.336 -5.860 -22.176 875 2HG2 ILE 118 2HG2 ILE 118 -6.280 -6.076 -20.701 876 3HG2 ILE 118 3HG2 ILE 118 -4.639 -6.715 -20.800 877 1HD1 ILE 118 1HD1 ILE 118 -7.047 -3.672 -20.228 878 2HD1 ILE 118 2HD1 ILE 118 -7.108 -3.366 -18.493 879 3HD1 ILE 118 3HD1 ILE 118 -7.352 -5.001 -19.109 880 H ALA 119 H ALA 119 -2.859 -3.202 -22.545 881 HA ALA 119 HA ALA 119 -2.621 -5.216 -24.554 882 1HB ALA 119 1HB ALA 119 -2.653 -2.417 -24.486 883 2HB ALA 119 2HB ALA 119 -2.539 -3.427 -25.928 884 3HB ALA 119 3HB ALA 119 -1.073 -2.825 -25.156 885 H ASP 120 H ASP 120 -0.118 -3.407 -22.755 886 HA ASP 120 HA ASP 120 2.057 -4.875 -24.008 887 1HB ASP 120 2HB ASP 120 1.783 -2.845 -21.838 888 2HB ASP 120 1HB ASP 120 3.235 -3.848 -21.828 889 H TYR 121 H TYR 121 -0.126 -5.518 -21.440 890 HA TYR 121 HA TYR 121 1.647 -7.319 -19.971 891 1HB TYR 121 2HB TYR 121 -0.201 -6.193 -18.811 892 2HB TYR 121 1HB TYR 121 -1.366 -6.980 -19.876 893 HD1 TYR 121 HD1 TYR 121 1.285 -7.645 -17.339 894 HD2 TYR 121 HD2 TYR 121 -2.130 -9.183 -19.442 895 HE1 TYR 121 HE1 TYR 121 1.261 -9.628 -15.850 896 HE2 TYR 121 HE2 TYR 121 -2.153 -11.167 -17.954 897 HH TYR 121 HH TYR 121 -0.063 -11.378 -15.143 898 H LYS 122 H LYS 122 -0.731 -7.589 -22.554 899 HA LYS 122 HA LYS 122 -0.547 -10.547 -22.483 900 1HB LYS 122 2HB LYS 122 -2.750 -9.357 -22.848 901 2HB LYS 122 1HB LYS 122 -2.121 -8.807 -24.401 902 1HG LYS 122 2HG LYS 122 -2.314 -10.866 -25.359 903 2HG LYS 122 1HG LYS 122 -1.827 -11.705 -23.885 904 1HD LYS 122 2HD LYS 122 -4.020 -11.461 -22.925 905 2HD LYS 122 1HD LYS 122 -4.526 -10.377 -24.221 906 1HE LYS 122 2HE LYS 122 -3.812 -12.467 -25.729 907 2HE LYS 122 1HE LYS 122 -4.202 -13.342 -24.250 908 1HZ LYS 122 1HZ LYS 122 -5.946 -11.900 -26.063 909 2HZ LYS 122 2HZ LYS 122 -6.273 -11.679 -24.410 910 3HZ LYS 122 3HZ LYS 122 -6.274 -13.242 -25.078 911 H ALA 123 H ALA 123 0.725 -7.814 -24.203 912 HA ALA 123 HA ALA 123 1.513 -9.303 -26.579 913 1HB ALA 123 1HB ALA 123 2.106 -6.570 -25.474 914 2HB ALA 123 2HB ALA 123 1.328 -7.008 -26.996 915 3HB ALA 123 3HB ALA 123 3.071 -7.203 -26.807 916 H LYS 124 H LYS 124 2.771 -8.926 -23.394 917 HA LYS 124 HA LYS 124 5.558 -9.395 -24.027 918 1HB LYS 124 2HB LYS 124 4.023 -8.838 -21.700 919 2HB LYS 124 1HB LYS 124 4.872 -10.355 -21.400 920 1HG LYS 124 2HG LYS 124 6.387 -8.654 -20.712 921 2HG LYS 124 1HG LYS 124 6.970 -9.176 -22.293 922 1HD LYS 124 2HD LYS 124 5.009 -7.112 -22.672 923 2HD LYS 124 1HD LYS 124 6.204 -6.552 -21.500 924 1HE LYS 124 2HE LYS 124 6.680 -7.525 -24.323 925 2HE LYS 124 1HE LYS 124 7.091 -5.957 -23.629 926 1HZ LYS 124 1HZ LYS 124 8.306 -7.902 -22.057 927 2HZ LYS 124 2HZ LYS 124 9.056 -6.779 -23.089 928 3HZ LYS 124 3HZ LYS 124 8.625 -8.315 -23.671 929 H GLN 125 H GLN 125 3.307 -11.290 -25.003 930 HA GLN 125 HA GLN 125 4.884 -13.728 -24.704 931 1HB GLN 125 2HB GLN 125 3.046 -15.060 -23.699 932 2HB GLN 125 1HB GLN 125 3.610 -13.798 -22.605 933 1HG GLN 125 2HG GLN 125 1.581 -12.822 -22.574 934 2HG GLN 125 1HG GLN 125 1.519 -12.782 -24.336 935 1HE2 GLN 125 1HE2 GLN 125 1.279 -15.280 -21.727 936 2HE2 GLN 125 2HE2 GLN 125 -0.009 -16.114 -22.451 937 H GLY 126 H GLY 126 4.082 -12.155 -26.935 938 1HA GLY 126 2HA GLY 126 1.986 -13.851 -28.220 939 2HA GLY 126 1HA GLY 126 2.442 -12.236 -28.764 940 H LEU 127 H LEU 127 4.072 -12.048 -30.268 941 HA LEU 127 HA LEU 127 5.072 -14.524 -31.472 942 1HB LEU 127 2HB LEU 127 4.760 -11.761 -32.268 943 2HB LEU 127 1HB LEU 127 6.399 -12.310 -32.617 944 HG LEU 127 HG LEU 127 5.441 -14.321 -33.748 945 1HD1 LEU 127 1HD1 LEU 127 2.787 -13.217 -34.135 946 2HD1 LEU 127 2HD1 LEU 127 3.099 -13.499 -32.422 947 3HD1 LEU 127 3HD1 LEU 127 3.250 -14.823 -33.576 948 1HD2 LEU 127 1HD2 LEU 127 4.803 -13.161 -35.769 949 2HD2 LEU 127 2HD2 LEU 127 6.021 -12.174 -34.960 950 3HD2 LEU 127 3HD2 LEU 127 4.317 -11.732 -34.857 951 H GLU 128 H GLU 128 6.154 -12.294 -29.097 952 HA GLU 128 HA GLU 128 8.200 -12.082 -27.964 953 1HB GLU 128 2HB GLU 128 8.558 -14.909 -29.006 954 2HB GLU 128 1HB GLU 128 9.474 -14.174 -27.690 955 1HG GLU 128 2HG GLU 128 7.771 -14.417 -26.202 956 2HG GLU 128 1HG GLU 128 6.542 -13.995 -27.395 957 H HIS 129 H HIS 129 10.500 -13.884 -29.148 958 HA HIS 129 HA HIS 129 11.174 -12.053 -31.415 959 1HB HIS 129 2HB HIS 129 13.598 -12.352 -30.567 960 2HB HIS 129 1HB HIS 129 12.548 -11.270 -29.652 961 HD2 HIS 129 HD2 HIS 129 11.284 -12.721 -27.327 962 HE1 HIS 129 HE1 HIS 129 14.599 -15.319 -26.990 963 HE2 HIS 129 HE2 HIS 129 12.517 -14.461 -25.823 964 H HIS 130 H HIS 130 13.380 -13.139 -32.426 965 HA HIS 130 HA HIS 130 13.130 -16.080 -32.527 966 1HB HIS 130 2HB HIS 130 12.028 -14.307 -34.564 967 2HB HIS 130 1HB HIS 130 13.248 -15.389 -35.236 968 HD2 HIS 130 HD2 HIS 130 9.829 -15.723 -33.238 969 HE1 HIS 130 HE1 HIS 130 10.665 -19.396 -35.148 970 HE2 HIS 130 HE2 HIS 130 8.958 -18.123 -33.771 971 H HIS 131 H HIS 131 14.796 -13.110 -33.311 972 HA HIS 131 HA HIS 131 17.313 -14.687 -33.589 973 1HB HIS 131 2HB HIS 131 16.130 -13.499 -35.748 974 2HB HIS 131 1HB HIS 131 17.172 -12.196 -35.175 975 HD2 HIS 131 HD2 HIS 131 17.485 -15.402 -37.233 976 HE1 HIS 131 HE1 HIS 131 21.408 -14.427 -36.007 977 HE2 HIS 131 HE2 HIS 131 20.027 -15.897 -37.545 978 H HIS 132 H HIS 132 19.076 -13.751 -32.532 979 HA HIS 132 HA HIS 132 19.099 -10.966 -31.719 980 1HB HIS 132 2HB HIS 132 19.147 -11.675 -29.202 981 2HB HIS 132 1HB HIS 132 17.587 -11.488 -30.003 982 HD2 HIS 132 HD2 HIS 132 16.370 -13.557 -28.456 983 HE1 HIS 132 HE1 HIS 132 18.793 -16.680 -29.946 984 HE2 HIS 132 HE2 HIS 132 16.730 -16.138 -28.573 985 H HIS 133 H HIS 133 21.093 -11.874 -33.049 986 HA HIS 133 HA HIS 133 23.078 -13.530 -32.134 987 1HB HIS 133 2HB HIS 133 24.736 -11.952 -33.100 988 2HB HIS 133 1HB HIS 133 23.338 -12.156 -34.157 989 HD2 HIS 133 HD2 HIS 133 21.340 -9.940 -33.733 990 HE1 HIS 133 HE1 HIS 133 24.374 -7.239 -32.577 991 HE2 HIS 133 HE2 HIS 133 21.955 -7.440 -33.315 992 H HIS 134 HN HIS 134 24.450 -13.618 -30.382 993 HA HIS 134 HA HIS 134 24.038 -11.604 -28.259 994 1HB HIS 134 2HB HIS 134 24.239 -14.264 -28.067 995 2HB HIS 134 1HB HIS 134 25.954 -13.873 -27.936 996 HD2 HIS 134 HD2 HIS 134 24.992 -14.856 -25.121 997 HE1 HIS 134 HE1 HIS 134 24.120 -10.849 -24.107 998 HE2 HIS 134 HE2 HIS 134 24.496 -13.182 -23.184 Start of MODEL 2 1 1H MET 1 1H MET 1 32.630 12.285 14.176 2 2H MET 1 2H MET 1 32.434 12.675 15.818 3 3H MET 1 3H MET 1 31.099 12.169 14.898 4 HA MET 1 HA MET 1 31.476 10.077 15.451 5 1HB MET 1 2HB MET 1 34.301 10.494 14.429 6 2HB MET 1 1HB MET 1 33.452 8.955 14.587 7 1HG MET 1 2HG MET 1 32.112 9.344 12.748 8 2HG MET 1 1HG MET 1 32.149 11.094 12.961 9 1HE MET 1 1HE MET 1 33.358 12.398 10.832 10 2HE MET 1 2HE MET 1 32.146 11.139 10.611 11 3HE MET 1 3HE MET 1 33.577 11.164 9.584 12 H ALA 2 H ALA 2 33.242 8.612 16.734 13 HA ALA 2 HA ALA 2 34.912 9.974 18.641 14 1HB ALA 2 1HB ALA 2 33.254 10.711 20.014 15 2HB ALA 2 2HB ALA 2 33.151 9.027 20.525 16 3HB ALA 2 3HB ALA 2 32.054 9.643 19.289 17 H TYR 3 H TYR 3 32.657 7.192 18.827 18 HA TYR 3 HA TYR 3 35.066 5.452 19.180 19 1HB TYR 3 2HB TYR 3 33.778 4.045 20.663 20 2HB TYR 3 1HB TYR 3 33.609 5.707 21.230 21 HD1 TYR 3 HD1 TYR 3 31.858 2.769 20.242 22 HD2 TYR 3 HD2 TYR 3 31.577 7.055 20.280 23 HE1 TYR 3 HE1 TYR 3 29.396 2.610 19.990 24 HE2 TYR 3 HE2 TYR 3 29.115 6.896 20.029 25 HH TYR 3 HH TYR 3 27.331 4.774 20.720 26 H SER 4 H SER 4 35.289 3.952 17.595 27 HA SER 4 HA SER 4 33.595 3.734 15.360 28 1HB SER 4 2HB SER 4 34.974 1.237 16.138 29 2HB SER 4 1HB SER 4 35.070 2.155 14.637 30 HG SER 4 HG SER 4 36.901 2.828 15.415 31 H GLU 5 H GLU 5 31.992 2.167 14.776 32 HA GLU 5 HA GLU 5 31.003 0.340 16.874 33 1HB GLU 5 2HB GLU 5 29.846 2.496 17.322 34 2HB GLU 5 1HB GLU 5 29.233 2.489 15.667 35 1HG GLU 5 2HG GLU 5 28.171 0.256 16.150 36 2HG GLU 5 1HG GLU 5 28.640 0.460 17.838 37 H LYS 6 H LYS 6 29.929 1.779 13.769 38 HA LYS 6 HA LYS 6 28.778 -0.681 12.820 39 1HB LYS 6 2HB LYS 6 29.634 1.868 11.432 40 2HB LYS 6 1HB LYS 6 28.907 0.516 10.561 41 1HG LYS 6 2HG LYS 6 27.550 1.555 13.027 42 2HG LYS 6 1HG LYS 6 27.378 2.446 11.514 43 1HD LYS 6 2HD LYS 6 27.012 -0.484 11.299 44 2HD LYS 6 1HD LYS 6 25.773 0.363 12.225 45 1HE LYS 6 2HE LYS 6 25.068 1.612 10.404 46 2HE LYS 6 1HE LYS 6 26.639 1.529 9.608 47 1HZ LYS 6 1HZ LYS 6 25.674 -1.073 9.861 48 2HZ LYS 6 2HZ LYS 6 25.900 -0.176 8.436 49 3HZ LYS 6 3HZ LYS 6 24.406 -0.132 9.243 50 H VAL 7 H VAL 7 29.724 -2.359 11.715 51 HA VAL 7 HA VAL 7 32.608 -2.564 11.683 52 HB VAL 7 HB VAL 7 31.202 -4.554 11.953 53 1HG1 VAL 7 1HG1 VAL 7 30.322 -4.034 9.097 54 2HG1 VAL 7 2HG1 VAL 7 29.328 -3.719 10.519 55 3HG1 VAL 7 3HG1 VAL 7 29.807 -5.369 10.127 56 1HG2 VAL 7 1HG2 VAL 7 33.465 -4.439 10.524 57 2HG2 VAL 7 2HG2 VAL 7 32.381 -4.974 9.240 58 3HG2 VAL 7 3HG2 VAL 7 32.561 -5.943 10.703 59 H ILE 8 H ILE 8 33.951 -2.772 9.766 60 HA ILE 8 HA ILE 8 33.242 -0.854 7.689 61 HB ILE 8 HB ILE 8 35.557 -0.971 8.346 62 1HG1 ILE 8 2HG1 ILE 8 35.639 -2.468 5.748 63 2HG1 ILE 8 1HG1 ILE 8 34.818 -0.907 5.799 64 1HG2 ILE 8 1HG2 ILE 8 35.001 -3.826 8.335 65 2HG2 ILE 8 2HG2 ILE 8 36.308 -2.949 9.130 66 3HG2 ILE 8 3HG2 ILE 8 36.484 -3.460 7.451 67 1HD1 ILE 8 1HD1 ILE 8 37.501 -1.069 7.086 68 2HD1 ILE 8 2HD1 ILE 8 36.759 0.261 6.197 69 3HD1 ILE 8 3HD1 ILE 8 37.450 -1.106 5.323 70 H ASP 9 H ASP 9 31.729 -1.494 6.210 71 HA ASP 9 HA ASP 9 31.966 -4.266 5.112 72 1HB ASP 9 2HB ASP 9 29.554 -3.845 4.372 73 2HB ASP 9 1HB ASP 9 29.810 -4.013 6.109 74 H HIS 10 H HIS 10 30.756 -4.152 2.759 75 HA HIS 10 HA HIS 10 31.087 -1.862 1.126 76 1HB HIS 10 2HB HIS 10 33.563 -2.811 1.923 77 2HB HIS 10 1HB HIS 10 33.347 -3.572 0.347 78 HD2 HIS 10 HD2 HIS 10 34.206 -0.105 1.803 79 HE1 HIS 10 HE1 HIS 10 33.469 0.463 -2.316 80 HE2 HIS 10 HE2 HIS 10 34.362 1.551 -0.206 81 H TYR 11 H TYR 11 29.048 -3.279 0.768 82 HA TYR 11 HA TYR 11 29.533 -4.904 -1.652 83 1HB TYR 11 2HB TYR 11 28.587 -5.993 0.961 84 2HB TYR 11 1HB TYR 11 27.808 -6.597 -0.501 85 HD1 TYR 11 HD1 TYR 11 29.045 -7.890 -2.152 86 HD2 TYR 11 HD2 TYR 11 30.987 -6.344 1.352 87 HE1 TYR 11 HE1 TYR 11 31.000 -9.351 -2.592 88 HE2 TYR 11 HE2 TYR 11 32.943 -7.805 0.912 89 HH TYR 11 HH TYR 11 33.669 -9.116 -1.855 90 H GLU 12 H GLU 12 27.894 -4.625 -3.106 91 HA GLU 12 HA GLU 12 25.210 -3.799 -2.173 92 1HB GLU 12 2HB GLU 12 26.797 -1.755 -2.663 93 2HB GLU 12 1HB GLU 12 26.495 -2.169 -4.351 94 1HG GLU 12 2HG GLU 12 24.594 -0.963 -4.178 95 2HG GLU 12 1HG GLU 12 23.969 -2.276 -3.179 96 H ASN 13 H ASN 13 23.588 -4.132 -3.860 97 HA ASN 13 HA ASN 13 24.430 -5.208 -6.446 98 1HB ASN 13 2HB ASN 13 22.993 -7.370 -5.814 99 2HB ASN 13 1HB ASN 13 24.727 -7.292 -5.499 100 1HD2 ASN 13 1HD2 ASN 13 25.293 -6.350 -3.224 101 2HD2 ASN 13 2HD2 ASN 13 24.276 -6.798 -1.941 102 HA PRO 14 HA PRO 14 20.383 -3.730 -7.441 103 1HB PRO 14 2HB PRO 14 19.926 -5.078 -9.764 104 2HB PRO 14 1HB PRO 14 21.097 -3.750 -9.638 105 1HG PRO 14 2HG PRO 14 21.563 -6.688 -9.663 106 2HG PRO 14 1HG PRO 14 22.502 -5.388 -10.418 107 1HD PRO 14 2HD PRO 14 23.225 -6.612 -8.059 108 2HD PRO 14 1HD PRO 14 23.694 -4.953 -8.494 109 H ARG 15 H ARG 15 19.764 -5.261 -5.431 110 HA ARG 15 HA ARG 15 18.186 -7.604 -6.326 111 1HB ARG 15 2HB ARG 15 19.723 -7.470 -4.204 112 2HB ARG 15 1HB ARG 15 18.339 -6.650 -3.480 113 1HG ARG 15 2HG ARG 15 16.936 -8.628 -4.348 114 2HG ARG 15 1HG ARG 15 18.476 -9.453 -4.594 115 1HD ARG 15 2HD ARG 15 17.013 -9.027 -2.130 116 2HD ARG 15 1HD ARG 15 18.424 -10.044 -2.422 117 HE ARG 15 HE ARG 15 19.469 -7.481 -2.313 118 1HH1 ARG 15 1HH2 ARG 15 17.447 -9.449 -0.332 119 2HH1 ARG 15 2HH2 ARG 15 17.978 -8.733 1.153 120 1HH2 ARG 15 2HH1 ARG 15 20.173 -6.532 -0.385 121 2HH2 ARG 15 1HH1 ARG 15 19.521 -7.082 1.124 122 H ASN 16 H ASN 16 17.720 -4.477 -4.677 123 HA ASN 16 HA ASN 16 14.828 -4.678 -5.406 124 1HB ASN 16 2HB ASN 16 16.077 -3.820 -2.794 125 2HB ASN 16 1HB ASN 16 14.457 -3.298 -3.254 126 1HD2 ASN 16 1HD2 ASN 16 13.414 -4.600 -1.588 127 2HD2 ASN 16 2HD2 ASN 16 13.360 -6.292 -1.688 128 H VAL 17 H VAL 17 14.611 -3.166 -6.997 129 HA VAL 17 HA VAL 17 15.801 -0.468 -6.487 130 HB VAL 17 HB VAL 17 16.996 -1.552 -8.328 131 1HG1 VAL 17 1HG1 VAL 17 14.741 -1.648 -10.186 132 2HG1 VAL 17 2HG1 VAL 17 14.542 -2.760 -8.832 133 3HG1 VAL 17 3HG1 VAL 17 15.972 -2.866 -9.858 134 1HG2 VAL 17 1HG2 VAL 17 16.362 0.906 -8.439 135 2HG2 VAL 17 2HG2 VAL 17 15.023 0.436 -9.485 136 3HG2 VAL 17 3HG2 VAL 17 16.685 0.154 -10.001 137 H GLY 18 H GLY 18 13.029 -2.352 -7.328 138 1HA GLY 18 2HA GLY 18 11.063 -0.546 -6.714 139 2HA GLY 18 1HA GLY 18 11.479 -0.096 -8.368 140 H SER 19 H SER 19 10.590 -1.280 -10.016 141 HA SER 19 HA SER 19 8.824 -3.532 -9.249 142 1HB SER 19 2HB SER 19 8.294 -1.503 -10.885 143 2HB SER 19 1HB SER 19 9.072 -2.551 -12.068 144 HG SER 19 HG SER 19 7.419 -3.859 -11.978 145 H LEU 20 H LEU 20 8.932 -4.767 -11.887 146 HA LEU 20 HA LEU 20 11.645 -6.020 -11.716 147 1HB LEU 20 2HB LEU 20 9.349 -7.310 -11.152 148 2HB LEU 20 1HB LEU 20 9.376 -7.545 -12.900 149 HG LEU 20 HG LEU 20 11.897 -8.200 -12.462 150 1HD1 LEU 20 1HD1 LEU 20 10.655 -9.051 -9.843 151 2HD1 LEU 20 2HD1 LEU 20 11.582 -7.559 -9.990 152 3HD1 LEU 20 3HD1 LEU 20 12.352 -9.112 -10.316 153 1HD2 LEU 20 1HD2 LEU 20 9.433 -9.875 -11.956 154 2HD2 LEU 20 2HD2 LEU 20 11.048 -10.586 -11.955 155 3HD2 LEU 20 3HD2 LEU 20 10.428 -9.807 -13.411 156 H ASP 21 H ASP 21 12.596 -6.653 -13.748 157 HA ASP 21 HA ASP 21 12.437 -4.845 -15.856 158 1HB ASP 21 2HB ASP 21 13.132 -7.793 -15.901 159 2HB ASP 21 1HB ASP 21 13.344 -6.736 -17.297 160 H LYS 22 H LYS 22 11.211 -4.688 -17.757 161 HA LYS 22 HA LYS 22 8.526 -5.715 -17.661 162 1HB LYS 22 2HB LYS 22 10.006 -4.542 -20.035 163 2HB LYS 22 1HB LYS 22 8.256 -4.672 -19.851 164 1HG LYS 22 2HG LYS 22 8.154 -2.813 -18.573 165 2HG LYS 22 1HG LYS 22 9.499 -3.346 -17.565 166 1HD LYS 22 2HD LYS 22 10.285 -1.368 -18.612 167 2HD LYS 22 1HD LYS 22 11.016 -2.677 -19.540 168 1HE LYS 22 2HE LYS 22 8.380 -1.429 -20.330 169 2HE LYS 22 1HE LYS 22 9.925 -0.790 -20.894 170 1HZ LYS 22 1HZ LYS 22 9.129 -2.323 -22.506 171 2HZ LYS 22 2HZ LYS 22 8.839 -3.516 -21.333 172 3HZ LYS 22 3HZ LYS 22 10.432 -3.064 -21.713 173 H LYS 23 H LYS 23 11.387 -7.249 -18.466 174 HA LYS 23 HA LYS 23 10.401 -8.864 -20.685 175 1HB LYS 23 2HB LYS 23 12.745 -9.380 -18.829 176 2HB LYS 23 1HB LYS 23 12.463 -10.141 -20.396 177 1HG LYS 23 2HG LYS 23 12.610 -7.932 -21.493 178 2HG LYS 23 1HG LYS 23 12.910 -7.177 -19.928 179 1HD LYS 23 2HD LYS 23 14.721 -9.392 -20.287 180 2HD LYS 23 1HD LYS 23 14.822 -8.317 -21.681 181 1HE LYS 23 2HE LYS 23 15.112 -7.519 -18.770 182 2HE LYS 23 1HE LYS 23 16.396 -7.562 -19.979 183 1HZ LYS 23 1HZ LYS 23 15.304 -5.331 -19.502 184 2HZ LYS 23 2HZ LYS 23 13.966 -5.926 -20.364 185 3HZ LYS 23 3HZ LYS 23 15.476 -5.778 -21.129 186 H ASP 24 H ASP 24 8.773 -8.787 -18.201 187 HA ASP 24 HA ASP 24 8.909 -11.686 -17.474 188 1HB ASP 24 2HB ASP 24 8.939 -9.473 -15.791 189 2HB ASP 24 1HB ASP 24 7.258 -10.006 -15.740 190 H SER 25 H SER 25 6.890 -12.834 -17.388 191 HA SER 25 HA SER 25 4.886 -11.765 -19.267 192 1HB SER 25 2HB SER 25 5.846 -14.316 -18.722 193 2HB SER 25 1HB SER 25 4.247 -14.314 -17.982 194 HG SER 25 HG SER 25 3.559 -13.352 -20.063 195 H ASN 26 H ASN 26 5.400 -11.232 -16.117 196 HA ASN 26 HA ASN 26 2.478 -11.250 -15.468 197 1HB ASN 26 2HB ASN 26 4.471 -11.110 -13.263 198 2HB ASN 26 1HB ASN 26 2.921 -11.951 -13.328 199 1HD2 ASN 26 1HD2 ASN 26 3.182 -14.182 -13.330 200 2HD2 ASN 26 2HD2 ASN 26 4.482 -15.015 -14.035 201 H VAL 27 H VAL 27 5.309 -9.360 -15.894 202 HA VAL 27 HA VAL 27 4.096 -7.063 -14.432 203 HB VAL 27 HB VAL 27 6.864 -7.314 -15.644 204 1HG1 VAL 27 1HG1 VAL 27 5.545 -5.283 -13.825 205 2HG1 VAL 27 2HG1 VAL 27 6.231 -5.004 -15.425 206 3HG1 VAL 27 3HG1 VAL 27 7.291 -5.374 -14.065 207 1HG2 VAL 27 1HG2 VAL 27 7.433 -8.520 -13.827 208 2HG2 VAL 27 2HG2 VAL 27 5.759 -8.486 -13.274 209 3HG2 VAL 27 3HG2 VAL 27 6.875 -7.210 -12.786 210 H GLY 28 H GLY 28 3.147 -5.447 -15.597 211 1HA GLY 28 2HA GLY 28 3.790 -5.288 -18.514 212 2HA GLY 28 1HA GLY 28 2.131 -5.161 -17.929 213 H THR 29 H THR 29 3.759 -3.166 -19.404 214 HA THR 29 HA THR 29 3.564 -0.953 -17.401 215 HB THR 29 HB THR 29 5.625 -1.301 -19.601 216 HG1 THR 29 HG1 THR 29 6.961 -1.748 -18.008 217 1HG2 THR 29 1HG2 THR 29 4.904 1.025 -17.826 218 2HG2 THR 29 2HG2 THR 29 5.175 1.012 -19.568 219 3HG2 THR 29 3HG2 THR 29 6.539 0.840 -18.462 220 H GLY 30 H GLY 30 2.738 1.034 -18.249 221 1HA GLY 30 2HA GLY 30 1.823 0.980 -21.079 222 2HA GLY 30 1HA GLY 30 0.626 1.255 -19.815 223 H MET 31 H MET 31 2.343 2.890 -22.022 224 HA MET 31 HA MET 31 2.642 5.281 -20.247 225 1HB MET 31 2HB MET 31 4.794 4.413 -21.212 226 2HB MET 31 1HB MET 31 4.142 4.725 -22.822 227 1HG MET 31 2HG MET 31 4.425 6.975 -22.638 228 2HG MET 31 1HG MET 31 3.921 6.995 -20.948 229 1HE MET 31 1HE MET 31 6.090 8.616 -22.420 230 2HE MET 31 2HE MET 31 7.559 8.588 -21.448 231 3HE MET 31 3HE MET 31 6.009 8.917 -20.679 232 H VAL 32 H VAL 32 0.529 6.063 -20.635 233 HA VAL 32 HA VAL 32 -0.181 6.616 -23.477 234 HB VAL 32 HB VAL 32 -2.457 7.150 -22.467 235 1HG1 VAL 32 1HG1 VAL 32 -1.396 4.362 -21.921 236 2HG1 VAL 32 2HG1 VAL 32 -1.843 4.956 -23.520 237 3HG1 VAL 32 3HG1 VAL 32 -3.068 4.807 -22.260 238 1HG2 VAL 32 1HG2 VAL 32 -1.439 5.676 -20.043 239 2HG2 VAL 32 2HG2 VAL 32 -2.900 6.650 -20.209 240 3HG2 VAL 32 3HG2 VAL 32 -1.322 7.433 -20.134 241 H GLY 33 H GLY 33 -1.187 8.798 -23.883 242 1HA GLY 33 2HA GLY 33 -0.573 10.917 -21.952 243 2HA GLY 33 1HA GLY 33 0.439 10.942 -23.396 244 H ALA 34 H ALA 34 -0.856 13.145 -23.359 245 HA ALA 34 HA ALA 34 -3.156 12.771 -25.218 246 1HB ALA 34 1HB ALA 34 -3.100 14.301 -22.634 247 2HB ALA 34 2HB ALA 34 -4.375 13.276 -23.294 248 3HB ALA 34 3HB ALA 34 -4.104 14.885 -23.961 249 HA PRO 35 HA PRO 35 -0.061 15.561 -27.147 250 1HB PRO 35 2HB PRO 35 -1.872 15.082 -29.452 251 2HB PRO 35 1HB PRO 35 -0.110 14.915 -29.348 252 1HG PRO 35 2HG PRO 35 -1.732 12.792 -29.432 253 2HG PRO 35 1HG PRO 35 -0.226 12.793 -28.501 254 1HD PRO 35 2HD PRO 35 -3.043 13.004 -27.524 255 2HD PRO 35 1HD PRO 35 -1.631 12.253 -26.748 256 H ALA 36 H ALA 36 -3.569 15.747 -27.093 257 HA ALA 36 HA ALA 36 -4.232 18.084 -28.341 258 1HB ALA 36 1HB ALA 36 -5.324 18.360 -25.722 259 2HB ALA 36 2HB ALA 36 -5.250 16.636 -26.086 260 3HB ALA 36 3HB ALA 36 -6.117 17.728 -27.165 261 H CYS 37 H CYS 37 -3.014 18.081 -24.965 262 HA CYS 37 HA CYS 37 -2.019 20.856 -25.469 263 1HB CYS 37 2HB CYS 37 -1.929 20.432 -22.723 264 2HB CYS 37 1HB CYS 37 -3.195 21.304 -23.588 265 HG CYS 37 HG CYS 37 -3.932 19.044 -22.079 266 H GLY 38 H GLY 38 -1.197 17.824 -23.756 267 1HA GLY 38 2HA GLY 38 1.218 17.115 -24.465 268 2HA GLY 38 1HA GLY 38 1.657 18.684 -23.787 269 H ASP 39 H ASP 39 -0.540 16.070 -22.708 270 HA ASP 39 HA ASP 39 0.886 16.162 -20.079 271 1HB ASP 39 2HB ASP 39 -1.743 16.734 -20.487 272 2HB ASP 39 1HB ASP 39 -1.837 14.999 -20.186 273 H VAL 40 H VAL 40 2.106 14.361 -19.791 274 HA VAL 40 HA VAL 40 1.253 11.852 -21.161 275 HB VAL 40 HB VAL 40 3.620 11.124 -20.726 276 1HG1 VAL 40 1HG1 VAL 40 4.596 12.562 -22.460 277 2HG1 VAL 40 2HG1 VAL 40 3.319 13.754 -22.211 278 3HG1 VAL 40 3HG1 VAL 40 2.928 12.168 -22.873 279 1HG2 VAL 40 1HG2 VAL 40 3.895 14.006 -19.808 280 2HG2 VAL 40 2HG2 VAL 40 5.231 12.881 -20.051 281 3HG2 VAL 40 3HG2 VAL 40 4.046 12.580 -18.780 282 H MET 41 H MET 41 0.911 9.982 -19.961 283 HA MET 41 HA MET 41 1.355 10.141 -17.015 284 1HB MET 41 2HB MET 41 -0.976 10.655 -17.239 285 2HB MET 41 1HB MET 41 -1.205 9.388 -18.445 286 1HG MET 41 2HG MET 41 -1.454 7.788 -16.867 287 2HG MET 41 1HG MET 41 -0.064 8.370 -15.949 288 1HE MET 41 1HE MET 41 -3.826 8.117 -14.210 289 2HE MET 41 2HE MET 41 -2.778 7.124 -15.221 290 3HE MET 41 3HE MET 41 -3.993 8.157 -15.971 291 H GLN 42 H GLN 42 2.355 8.317 -16.282 292 HA GLN 42 HA GLN 42 2.333 5.933 -18.087 293 1HB GLN 42 2HB GLN 42 4.575 6.743 -17.895 294 2HB GLN 42 1HB GLN 42 4.417 6.966 -16.152 295 1HG GLN 42 2HG GLN 42 4.497 4.662 -15.718 296 2HG GLN 42 1HG GLN 42 4.042 4.239 -17.370 297 1HE2 GLN 42 1HE2 GLN 42 6.644 4.059 -15.392 298 2HE2 GLN 42 2HE2 GLN 42 7.899 4.272 -16.515 299 H LEU 43 H LEU 43 1.295 4.175 -17.303 300 HA LEU 43 HA LEU 43 0.978 3.948 -14.336 301 1HB LEU 43 2HB LEU 43 -1.106 4.500 -15.867 302 2HB LEU 43 1HB LEU 43 -1.038 2.773 -16.222 303 HG LEU 43 HG LEU 43 -0.782 2.654 -13.550 304 1HD1 LEU 43 1HD1 LEU 43 -2.079 4.336 -12.438 305 2HD1 LEU 43 2HD1 LEU 43 -2.621 5.022 -13.970 306 3HD1 LEU 43 3HD1 LEU 43 -0.938 5.196 -13.472 307 1HD2 LEU 43 1HD2 LEU 43 -3.459 2.670 -13.653 308 2HD2 LEU 43 2HD2 LEU 43 -2.513 1.379 -14.395 309 3HD2 LEU 43 3HD2 LEU 43 -3.137 2.697 -15.387 310 H GLN 44 H GLN 44 1.525 1.959 -13.482 311 HA GLN 44 HA GLN 44 2.243 -0.181 -15.449 312 1HB GLN 44 2HB GLN 44 3.555 0.649 -12.855 313 2HB GLN 44 1HB GLN 44 3.862 -0.920 -13.600 314 1HG GLN 44 2HG GLN 44 5.152 -0.020 -15.234 315 2HG GLN 44 1HG GLN 44 4.049 1.336 -15.479 316 1HE2 GLN 44 1HE2 GLN 44 6.196 2.601 -15.562 317 2HE2 GLN 44 2HE2 GLN 44 6.853 3.124 -14.088 318 H ILE 45 H ILE 45 1.621 -2.308 -14.920 319 HA ILE 45 HA ILE 45 -0.104 -2.580 -12.491 320 HB ILE 45 HB ILE 45 -1.537 -4.127 -13.818 321 1HG1 ILE 45 2HG1 ILE 45 -0.834 -3.310 -16.452 322 2HG1 ILE 45 1HG1 ILE 45 0.651 -3.858 -15.672 323 1HG2 ILE 45 1HG2 ILE 45 -2.795 -2.417 -14.801 324 2HG2 ILE 45 2HG2 ILE 45 -1.364 -1.546 -15.352 325 3HG2 ILE 45 3HG2 ILE 45 -1.808 -1.524 -13.645 326 1HD1 ILE 45 1HD1 ILE 45 -0.671 -5.909 -14.910 327 2HD1 ILE 45 2HD1 ILE 45 -0.326 -5.810 -16.637 328 3HD1 ILE 45 3HD1 ILE 45 -1.929 -5.393 -16.033 329 H LYS 46 H LYS 46 0.582 -4.194 -11.173 330 HA LYS 46 HA LYS 46 2.533 -6.160 -12.278 331 1HB LYS 46 2HB LYS 46 3.256 -4.820 -10.317 332 2HB LYS 46 1HB LYS 46 1.895 -5.460 -9.395 333 1HG LYS 46 2HG LYS 46 3.343 -7.091 -8.767 334 2HG LYS 46 1HG LYS 46 3.041 -7.759 -10.372 335 1HD LYS 46 2HD LYS 46 5.407 -7.618 -10.215 336 2HD LYS 46 1HD LYS 46 4.938 -6.220 -11.182 337 1HE LYS 46 2HE LYS 46 6.101 -4.979 -9.693 338 2HE LYS 46 1HE LYS 46 4.763 -5.272 -8.580 339 1HZ LYS 46 1HZ LYS 46 6.577 -6.019 -7.399 340 2HZ LYS 46 2HZ LYS 46 7.357 -6.654 -8.769 341 3HZ LYS 46 3HZ LYS 46 6.015 -7.457 -8.103 342 H VAL 47 H VAL 47 1.483 -7.984 -12.954 343 HA VAL 47 HA VAL 47 -0.913 -8.902 -11.468 344 HB VAL 47 HB VAL 47 0.335 -10.064 -13.975 345 1HG1 VAL 47 1HG1 VAL 47 -1.117 -11.689 -13.119 346 2HG1 VAL 47 2HG1 VAL 47 -2.177 -10.773 -14.190 347 3HG1 VAL 47 3HG1 VAL 47 -2.223 -10.489 -12.450 348 1HG2 VAL 47 1HG2 VAL 47 -1.282 -7.654 -13.521 349 2HG2 VAL 47 2HG2 VAL 47 -2.000 -8.758 -14.695 350 3HG2 VAL 47 3HG2 VAL 47 -0.369 -8.139 -14.951 351 H ASP 48 H ASP 48 -0.442 -10.148 -9.713 352 HA ASP 48 HA ASP 48 1.885 -11.411 -8.984 353 1HB ASP 48 2HB ASP 48 0.166 -11.592 -7.406 354 2HB ASP 48 1HB ASP 48 -0.988 -12.204 -8.592 355 H ASP 49 H ASP 49 -0.673 -13.482 -10.300 356 HA ASP 49 HA ASP 49 0.761 -14.466 -12.553 357 1HB ASP 49 2HB ASP 49 2.355 -15.328 -10.883 358 2HB ASP 49 1HB ASP 49 1.040 -16.148 -10.040 359 H ASN 50 H ASN 50 -1.561 -14.976 -9.985 360 HA ASN 50 HA ASN 50 -3.043 -17.020 -11.494 361 1HB ASN 50 2HB ASN 50 -3.837 -15.494 -8.995 362 2HB ASN 50 1HB ASN 50 -4.612 -16.951 -9.619 363 1HD2 ASN 50 1HD2 ASN 50 -2.939 -16.335 -7.051 364 2HD2 ASN 50 2HD2 ASN 50 -1.810 -17.602 -7.013 365 H GLY 51 H GLY 51 -2.913 -13.594 -11.319 366 1HA GLY 51 2HA GLY 51 -4.128 -12.495 -13.253 367 2HA GLY 51 1HA GLY 51 -5.539 -13.424 -12.746 368 H ILE 52 H ILE 52 -3.665 -12.383 -10.114 369 HA ILE 52 HA ILE 52 -5.663 -10.237 -9.561 370 HB ILE 52 HB ILE 52 -3.772 -11.475 -7.556 371 1HG1 ILE 52 2HG1 ILE 52 -5.027 -13.309 -8.589 372 2HG1 ILE 52 1HG1 ILE 52 -5.655 -13.002 -6.969 373 1HG2 ILE 52 1HG2 ILE 52 -5.027 -9.336 -7.052 374 2HG2 ILE 52 2HG2 ILE 52 -5.378 -10.667 -5.949 375 3HG2 ILE 52 3HG2 ILE 52 -6.524 -10.253 -7.224 376 1HD1 ILE 52 1HD1 ILE 52 -7.550 -13.235 -8.444 377 2HD1 ILE 52 2HD1 ILE 52 -6.857 -12.094 -9.597 378 3HD1 ILE 52 3HD1 ILE 52 -7.414 -11.528 -8.022 379 H ILE 53 H ILE 53 -4.973 -8.134 -9.354 380 HA ILE 53 HA ILE 53 -2.363 -7.381 -10.249 381 HB ILE 53 HB ILE 53 -4.406 -5.797 -8.660 382 1HG1 ILE 53 2HG1 ILE 53 -3.801 -5.830 -11.633 383 2HG1 ILE 53 1HG1 ILE 53 -5.151 -6.688 -10.887 384 1HG2 ILE 53 1HG2 ILE 53 -1.960 -4.922 -10.227 385 2HG2 ILE 53 2HG2 ILE 53 -2.195 -4.777 -8.485 386 3HG2 ILE 53 3HG2 ILE 53 -3.186 -3.825 -9.591 387 1HD1 ILE 53 1HD1 ILE 53 -6.322 -4.756 -10.457 388 2HD1 ILE 53 2HD1 ILE 53 -5.407 -4.196 -11.857 389 3HD1 ILE 53 3HD1 ILE 53 -4.860 -3.796 -10.228 390 H GLU 54 H GLU 54 -0.870 -8.563 -8.913 391 HA GLU 54 HA GLU 54 -0.770 -8.687 -6.126 392 1HB GLU 54 2HB GLU 54 0.901 -9.507 -8.069 393 2HB GLU 54 1HB GLU 54 1.803 -8.099 -7.509 394 1HG GLU 54 2HG GLU 54 0.767 -10.291 -5.689 395 2HG GLU 54 1HG GLU 54 2.421 -10.206 -6.300 396 H ASP 55 H ASP 55 0.688 -6.142 -8.175 397 HA ASP 55 HA ASP 55 0.248 -4.218 -5.956 398 1HB ASP 55 2HB ASP 55 2.653 -5.262 -5.999 399 2HB ASP 55 1HB ASP 55 2.889 -4.215 -7.398 400 H ALA 56 H ALA 56 1.094 -1.928 -6.932 401 HA ALA 56 HA ALA 56 0.762 -1.652 -9.808 402 1HB ALA 56 1HB ALA 56 -1.440 -1.188 -9.959 403 2HB ALA 56 2HB ALA 56 -1.355 -0.065 -8.601 404 3HB ALA 56 3HB ALA 56 -1.602 -1.786 -8.307 405 H LYS 57 H LYS 57 1.433 0.399 -10.496 406 HA LYS 57 HA LYS 57 1.999 2.412 -8.369 407 1HB LYS 57 2HB LYS 57 3.991 0.865 -9.389 408 2HB LYS 57 1HB LYS 57 4.002 2.197 -10.544 409 1HG LYS 57 2HG LYS 57 3.834 3.630 -8.282 410 2HG LYS 57 1HG LYS 57 4.650 2.206 -7.636 411 1HD LYS 57 2HD LYS 57 6.463 2.432 -9.193 412 2HD LYS 57 1HD LYS 57 5.598 3.664 -10.113 413 1HE LYS 57 2HE LYS 57 5.614 4.703 -7.545 414 2HE LYS 57 1HE LYS 57 7.202 3.947 -7.678 415 1HZ LYS 57 1HZ LYS 57 6.499 5.358 -10.051 416 2HZ LYS 57 2HZ LYS 57 7.879 5.512 -9.073 417 3HZ LYS 57 3HZ LYS 57 6.467 6.379 -8.696 418 H PHE 58 H PHE 58 2.359 4.609 -9.322 419 HA PHE 58 HA PHE 58 1.326 4.949 -12.080 420 1HB PHE 58 2HB PHE 58 -0.518 6.259 -11.499 421 2HB PHE 58 1HB PHE 58 -0.538 5.045 -10.219 422 HD1 PHE 58 HD1 PHE 58 -0.368 8.542 -10.960 423 HD2 PHE 58 HD2 PHE 58 0.761 5.598 -8.043 424 HE1 PHE 58 HE1 PHE 58 -0.099 10.329 -9.261 425 HE2 PHE 58 HE2 PHE 58 1.031 7.386 -6.344 426 HZ PHE 58 HZ PHE 58 0.602 9.750 -6.953 427 H LYS 59 H LYS 59 1.527 7.336 -12.724 428 HA LYS 59 HA LYS 59 3.273 9.033 -11.142 429 1HB LYS 59 2HB LYS 59 5.125 7.789 -11.802 430 2HB LYS 59 1HB LYS 59 4.400 7.339 -13.345 431 1HG LYS 59 2HG LYS 59 4.967 9.345 -14.358 432 2HG LYS 59 1HG LYS 59 4.967 10.233 -12.835 433 1HD LYS 59 2HD LYS 59 7.037 9.035 -12.161 434 2HD LYS 59 1HD LYS 59 7.053 8.222 -13.726 435 1HE LYS 59 2HE LYS 59 8.541 10.158 -13.807 436 2HE LYS 59 1HE LYS 59 7.145 10.447 -14.845 437 1HZ LYS 59 1HZ LYS 59 8.026 11.993 -12.709 438 2HZ LYS 59 2HZ LYS 59 6.554 11.292 -12.227 439 3HZ LYS 59 3HZ LYS 59 6.632 12.219 -13.649 440 H THR 60 H THR 60 2.335 10.959 -11.608 441 HA THR 60 HA THR 60 1.454 11.451 -14.420 442 HB THR 60 HB THR 60 -0.040 13.162 -13.475 443 HG1 THR 60 HG1 THR 60 1.562 13.339 -11.593 444 1HG2 THR 60 1HG2 THR 60 -0.267 10.391 -13.162 445 2HG2 THR 60 2HG2 THR 60 -1.578 11.568 -13.077 446 3HG2 THR 60 3HG2 THR 60 -0.753 11.058 -11.604 447 H TYR 61 H TYR 61 2.231 13.274 -15.496 448 HA TYR 61 HA TYR 61 3.898 15.215 -14.019 449 1HB TYR 61 2HB TYR 61 5.207 13.083 -15.023 450 2HB TYR 61 1HB TYR 61 5.173 14.095 -16.466 451 HD1 TYR 61 HD1 TYR 61 7.048 15.430 -16.759 452 HD2 TYR 61 HD2 TYR 61 5.662 14.619 -12.774 453 HE1 TYR 61 HE1 TYR 61 8.891 16.810 -15.836 454 HE2 TYR 61 HE2 TYR 61 7.505 16.000 -11.852 455 HH TYR 61 HH TYR 61 9.028 18.167 -13.202 456 H GLY 62 H GLY 62 2.584 16.920 -14.668 457 1HA GLY 62 2HA GLY 62 2.970 18.236 -17.076 458 2HA GLY 62 1HA GLY 62 1.606 17.165 -17.395 459 H CYS 63 H CYS 63 0.093 17.226 -15.185 460 HA CYS 63 HA CYS 63 -0.404 20.132 -14.674 461 1HB CYS 63 2HB CYS 63 -2.064 19.108 -16.251 462 2HB CYS 63 1HB CYS 63 -2.512 17.974 -14.976 463 HG CYS 63 HG CYS 63 -4.109 20.084 -14.871 464 H GLY 64 H GLY 64 -1.948 20.332 -12.673 465 1HA GLY 64 2HA GLY 64 -1.059 18.347 -10.616 466 2HA GLY 64 1HA GLY 64 -1.172 20.076 -10.280 467 H SER 65 H SER 65 -3.608 18.765 -12.335 468 HA SER 65 HA SER 65 -5.534 18.895 -10.050 469 1HB SER 65 2HB SER 65 -7.176 19.732 -11.540 470 2HB SER 65 1HB SER 65 -5.706 20.587 -11.997 471 HG SER 65 HG SER 65 -5.434 19.115 -13.681 472 H ALA 66 H ALA 66 -4.046 16.808 -12.242 473 HA ALA 66 HA ALA 66 -6.351 14.936 -12.328 474 1HB ALA 66 1HB ALA 66 -4.813 13.583 -13.796 475 2HB ALA 66 2HB ALA 66 -3.622 14.873 -13.647 476 3HB ALA 66 3HB ALA 66 -5.170 15.190 -14.428 477 H ILE 67 H ILE 67 -3.855 15.654 -10.260 478 HA ILE 67 HA ILE 67 -2.797 13.093 -9.579 479 HB ILE 67 HB ILE 67 -3.296 15.255 -7.539 480 1HG1 ILE 67 2HG1 ILE 67 -2.519 16.438 -9.523 481 2HG1 ILE 67 1HG1 ILE 67 -1.182 16.321 -8.377 482 1HG2 ILE 67 1HG2 ILE 67 -2.138 12.944 -7.143 483 2HG2 ILE 67 2HG2 ILE 67 -1.376 14.399 -6.503 484 3HG2 ILE 67 3HG2 ILE 67 -0.776 13.673 -7.994 485 1HD1 ILE 67 1HD1 ILE 67 -0.169 15.663 -10.382 486 2HD1 ILE 67 2HD1 ILE 67 -1.608 14.811 -10.942 487 3HD1 ILE 67 3HD1 ILE 67 -0.613 14.114 -9.664 488 H ALA 68 H ALA 68 -5.482 14.923 -8.067 489 HA ALA 68 HA ALA 68 -6.339 13.154 -6.140 490 1HB ALA 68 1HB ALA 68 -8.750 13.828 -7.265 491 2HB ALA 68 2HB ALA 68 -7.694 15.082 -7.917 492 3HB ALA 68 3HB ALA 68 -7.837 14.868 -6.171 493 H SER 69 H SER 69 -7.328 12.972 -9.582 494 HA SER 69 HA SER 69 -8.765 10.535 -9.371 495 1HB SER 69 2HB SER 69 -8.691 10.450 -11.733 496 2HB SER 69 1HB SER 69 -8.584 12.171 -11.370 497 HG SER 69 HG SER 69 -6.921 10.803 -12.795 498 H SER 70 H SER 70 -5.370 11.022 -10.413 499 HA SER 70 HA SER 70 -4.568 8.398 -10.771 500 1HB SER 70 2HB SER 70 -2.693 9.953 -9.100 501 2HB SER 70 1HB SER 70 -2.444 9.214 -10.680 502 HG SER 70 HG SER 70 -2.817 11.092 -11.522 503 H SER 71 H SER 71 -5.077 10.064 -7.682 504 HA SER 71 HA SER 71 -4.115 7.878 -6.050 505 1HB SER 71 2HB SER 71 -6.107 10.009 -5.240 506 2HB SER 71 1HB SER 71 -5.025 9.097 -4.190 507 HG SER 71 HG SER 71 -4.571 11.371 -5.537 508 H LEU 72 H LEU 72 -7.359 8.938 -7.080 509 HA LEU 72 HA LEU 72 -8.901 7.044 -5.681 510 1HB LEU 72 2HB LEU 72 -9.857 8.904 -7.010 511 2HB LEU 72 1HB LEU 72 -9.375 8.080 -8.493 512 HG LEU 72 HG LEU 72 -10.774 6.159 -6.969 513 1HD1 LEU 72 1HD1 LEU 72 -12.852 7.194 -6.397 514 2HD1 LEU 72 2HD1 LEU 72 -12.399 8.702 -7.191 515 3HD1 LEU 72 3HD1 LEU 72 -11.598 8.217 -5.697 516 1HD2 LEU 72 1HD2 LEU 72 -12.362 6.276 -8.836 517 2HD2 LEU 72 2HD2 LEU 72 -10.714 6.421 -9.446 518 3HD2 LEU 72 3HD2 LEU 72 -11.729 7.856 -9.298 519 H ILE 73 H ILE 73 -7.663 6.725 -9.033 520 HA ILE 73 HA ILE 73 -8.463 4.005 -9.343 521 HB ILE 73 HB ILE 73 -7.868 5.335 -11.281 522 1HG1 ILE 73 2HG1 ILE 73 -5.565 3.451 -11.251 523 2HG1 ILE 73 1HG1 ILE 73 -7.152 2.751 -10.929 524 1HG2 ILE 73 1HG2 ILE 73 -5.834 6.420 -11.568 525 2HG2 ILE 73 2HG2 ILE 73 -4.967 5.290 -10.527 526 3HG2 ILE 73 3HG2 ILE 73 -6.007 6.525 -9.817 527 1HD1 ILE 73 1HD1 ILE 73 -7.919 3.173 -13.048 528 2HD1 ILE 73 2HD1 ILE 73 -6.198 3.108 -13.431 529 3HD1 ILE 73 3HD1 ILE 73 -6.991 4.666 -13.199 530 H THR 74 H THR 74 -5.136 5.232 -8.805 531 HA THR 74 HA THR 74 -3.725 2.947 -8.385 532 HB THR 74 HB THR 74 -2.703 4.222 -6.304 533 HG1 THR 74 HG1 THR 74 -3.918 5.863 -5.840 534 1HG2 THR 74 1HG2 THR 74 -2.537 4.617 -9.207 535 2HG2 THR 74 2HG2 THR 74 -1.245 4.429 -8.023 536 3HG2 THR 74 3HG2 THR 74 -1.985 6.010 -8.277 537 H GLU 75 H GLU 75 -6.237 4.176 -6.230 538 HA GLU 75 HA GLU 75 -5.686 2.099 -4.220 539 1HB GLU 75 2HB GLU 75 -7.134 4.577 -4.309 540 2HB GLU 75 1HB GLU 75 -8.233 3.299 -3.790 541 1HG GLU 75 2HG GLU 75 -7.206 4.084 -1.790 542 2HG GLU 75 1HG GLU 75 -6.378 2.574 -2.172 543 H TRP 76 H TRP 76 -7.919 2.645 -6.890 544 HA TRP 76 HA TRP 76 -9.611 0.369 -6.144 545 1HB TRP 76 2HB TRP 76 -9.532 2.325 -8.419 546 2HB TRP 76 1HB TRP 76 -10.457 0.834 -8.594 547 HD1 TRP 76 HD1 TRP 76 -10.155 2.468 -5.185 548 HE1 TRP 76 HE1 TRP 76 -12.461 3.375 -4.476 549 HE3 TRP 76 HE3 TRP 76 -12.746 1.780 -9.529 550 HZ2 TRP 76 HZ2 TRP 76 -15.063 3.758 -5.603 551 HZ3 TRP 76 HZ3 TRP 76 -15.135 2.424 -9.685 552 HH2 TRP 76 HH2 TRP 76 -16.296 3.411 -7.729 553 H VAL 77 H VAL 77 -6.557 0.544 -7.359 554 HA VAL 77 HA VAL 77 -6.937 -1.978 -8.923 555 HB VAL 77 HB VAL 77 -4.801 -1.246 -10.134 556 1HG1 VAL 77 1HG1 VAL 77 -7.439 0.204 -10.385 557 2HG1 VAL 77 2HG1 VAL 77 -6.834 -1.138 -11.357 558 3HG1 VAL 77 3HG1 VAL 77 -6.124 0.467 -11.529 559 1HG2 VAL 77 1HG2 VAL 77 -4.842 0.749 -8.193 560 2HG2 VAL 77 2HG2 VAL 77 -5.408 1.575 -9.644 561 3HG2 VAL 77 3HG2 VAL 77 -3.849 0.752 -9.650 562 H LYS 78 H LYS 78 -6.650 -2.666 -6.493 563 HA LYS 78 HA LYS 78 -3.813 -3.452 -6.197 564 1HB LYS 78 2HB LYS 78 -5.223 -1.530 -4.458 565 2HB LYS 78 1HB LYS 78 -4.431 -2.846 -3.591 566 1HG LYS 78 2HG LYS 78 -2.352 -2.353 -4.968 567 2HG LYS 78 1HG LYS 78 -3.167 -0.890 -5.525 568 1HD LYS 78 2HD LYS 78 -3.291 -0.005 -3.303 569 2HD LYS 78 1HD LYS 78 -2.807 -1.545 -2.592 570 1HE LYS 78 2HE LYS 78 -0.625 -1.302 -3.902 571 2HE LYS 78 1HE LYS 78 -1.114 0.364 -4.215 572 1HZ LYS 78 1HZ LYS 78 -0.407 -0.919 -1.666 573 2HZ LYS 78 2HZ LYS 78 -1.473 0.403 -1.663 574 3HZ LYS 78 3HZ LYS 78 0.095 0.575 -2.293 575 H GLY 79 H GLY 79 -4.461 -5.610 -6.551 576 1HA GLY 79 2HA GLY 79 -4.893 -7.699 -5.402 577 2HA GLY 79 1HA GLY 79 -5.936 -6.828 -4.277 578 H LYS 80 H LYS 80 -6.988 -5.429 -6.885 579 HA LYS 80 HA LYS 80 -9.310 -7.143 -7.159 580 1HB LYS 80 2HB LYS 80 -8.360 -4.661 -8.602 581 2HB LYS 80 1HB LYS 80 -9.826 -5.513 -9.086 582 1HG LYS 80 2HG LYS 80 -10.118 -5.296 -6.337 583 2HG LYS 80 1HG LYS 80 -9.367 -3.764 -6.779 584 1HD LYS 80 2HD LYS 80 -11.161 -3.819 -8.729 585 2HD LYS 80 1HD LYS 80 -12.017 -4.882 -7.611 586 1HE LYS 80 2HE LYS 80 -12.814 -2.846 -6.869 587 2HE LYS 80 1HE LYS 80 -11.362 -2.962 -5.874 588 1HZ LYS 80 1HZ LYS 80 -11.946 -1.198 -8.089 589 2HZ LYS 80 2HZ LYS 80 -10.391 -1.882 -8.120 590 3HZ LYS 80 3HZ LYS 80 -10.899 -0.980 -6.774 591 H SER 81 H SER 81 -9.887 -7.197 -9.844 592 HA SER 81 HA SER 81 -7.696 -8.917 -10.936 593 1HB SER 81 2HB SER 81 -10.499 -9.194 -11.923 594 2HB SER 81 1HB SER 81 -9.258 -10.426 -11.712 595 HG SER 81 HG SER 81 -11.072 -10.401 -10.161 596 H LEU 82 H LEU 82 -7.046 -8.533 -13.060 597 HA LEU 82 HA LEU 82 -7.258 -5.987 -14.186 598 1HB LEU 82 2HB LEU 82 -6.466 -8.655 -15.153 599 2HB LEU 82 1HB LEU 82 -7.023 -7.567 -16.424 600 HG LEU 82 HG LEU 82 -4.953 -6.803 -14.349 601 1HD1 LEU 82 1HD1 LEU 82 -4.363 -8.694 -16.038 602 2HD1 LEU 82 2HD1 LEU 82 -3.254 -7.329 -15.895 603 3HD1 LEU 82 3HD1 LEU 82 -4.385 -7.411 -17.246 604 1HD2 LEU 82 1HD2 LEU 82 -4.566 -5.172 -16.467 605 2HD2 LEU 82 2HD2 LEU 82 -5.671 -4.773 -15.151 606 3HD2 LEU 82 3HD2 LEU 82 -6.295 -5.469 -16.647 607 H GLU 83 H GLU 83 -9.716 -8.307 -13.913 608 HA GLU 83 HA GLU 83 -11.216 -7.668 -16.305 609 1HB GLU 83 2HB GLU 83 -11.567 -9.746 -14.960 610 2HB GLU 83 1HB GLU 83 -12.233 -8.755 -13.661 611 1HG GLU 83 2HG GLU 83 -13.975 -7.917 -15.216 612 2HG GLU 83 1HG GLU 83 -13.329 -8.963 -16.481 613 H GLU 84 H GLU 84 -11.688 -6.730 -12.877 614 HA GLU 84 HA GLU 84 -13.703 -4.769 -13.475 615 1HB GLU 84 2HB GLU 84 -11.841 -5.025 -11.093 616 2HB GLU 84 1HB GLU 84 -13.229 -3.938 -11.169 617 1HG GLU 84 2HG GLU 84 -14.745 -5.640 -10.949 618 2HG GLU 84 1HG GLU 84 -13.754 -6.778 -11.862 619 H ALA 85 H ALA 85 -10.190 -4.682 -13.377 620 HA ALA 85 HA ALA 85 -10.029 -1.773 -13.483 621 1HB ALA 85 1HB ALA 85 -7.924 -2.297 -12.874 622 2HB ALA 85 2HB ALA 85 -7.644 -2.882 -14.514 623 3HB ALA 85 3HB ALA 85 -8.193 -3.996 -13.260 624 H GLY 86 H GLY 86 -10.405 -4.358 -15.777 625 1HA GLY 86 2HA GLY 86 -9.811 -2.512 -18.037 626 2HA GLY 86 1HA GLY 86 -9.979 -4.264 -18.171 627 H ALA 87 H ALA 87 -12.073 -1.757 -16.716 628 HA ALA 87 HA ALA 87 -14.100 -1.975 -18.759 629 1HB ALA 87 1HB ALA 87 -15.799 -3.186 -17.487 630 2HB ALA 87 2HB ALA 87 -14.686 -3.377 -16.132 631 3HB ALA 87 3HB ALA 87 -14.368 -4.202 -17.659 632 H ILE 88 H ILE 88 -13.183 -1.111 -15.473 633 HA ILE 88 HA ILE 88 -15.192 0.444 -14.494 634 HB ILE 88 HB ILE 88 -13.156 2.205 -14.123 635 1HG1 ILE 88 2HG1 ILE 88 -11.833 -0.484 -14.602 636 2HG1 ILE 88 1HG1 ILE 88 -11.743 0.871 -15.729 637 1HG2 ILE 88 1HG2 ILE 88 -12.664 0.953 -12.083 638 2HG2 ILE 88 2HG2 ILE 88 -13.382 -0.503 -12.772 639 3HG2 ILE 88 3HG2 ILE 88 -14.397 0.890 -12.402 640 1HD1 ILE 88 1HD1 ILE 88 -10.863 2.254 -13.760 641 2HD1 ILE 88 2HD1 ILE 88 -9.770 1.028 -14.403 642 3HD1 ILE 88 3HD1 ILE 88 -10.659 0.722 -12.911 643 H LYS 89 H LYS 89 -13.494 1.016 -17.477 644 HA LYS 89 HA LYS 89 -13.851 2.609 -19.162 645 1HB LYS 89 2HB LYS 89 -16.410 2.345 -17.747 646 2HB LYS 89 1HB LYS 89 -16.206 3.917 -18.521 647 1HG LYS 89 2HG LYS 89 -15.931 2.961 -20.663 648 2HG LYS 89 1HG LYS 89 -15.586 1.362 -20.000 649 1HD LYS 89 2HD LYS 89 -17.910 1.197 -19.181 650 2HD LYS 89 1HD LYS 89 -18.258 2.793 -19.849 651 1HE LYS 89 2HE LYS 89 -17.122 0.660 -21.635 652 2HE LYS 89 1HE LYS 89 -18.844 0.651 -21.254 653 1HZ LYS 89 1HZ LYS 89 -18.722 1.957 -23.140 654 2HZ LYS 89 2HZ LYS 89 -17.272 2.706 -22.666 655 3HZ LYS 89 3HZ LYS 89 -18.733 3.115 -21.901 656 H ASN 90 H ASN 90 -14.295 5.107 -19.395 657 HA ASN 90 HA ASN 90 -12.788 6.405 -17.192 658 1HB ASN 90 2HB ASN 90 -12.234 8.106 -18.748 659 2HB ASN 90 1HB ASN 90 -12.186 6.618 -19.695 660 1HD2 ASN 90 1HD2 ASN 90 -13.101 9.670 -20.137 661 2HD2 ASN 90 2HD2 ASN 90 -14.512 9.468 -21.060 662 H SER 91 H SER 91 -15.820 6.780 -19.023 663 HA SER 91 HA SER 91 -16.787 9.134 -17.830 664 1HB SER 91 2HB SER 91 -19.038 8.297 -18.363 665 2HB SER 91 1HB SER 91 -17.926 7.954 -19.686 666 HG SER 91 HG SER 91 -18.778 6.018 -19.377 667 H GLN 92 H GLN 92 -17.251 5.771 -16.689 668 HA GLN 92 HA GLN 92 -18.795 6.187 -14.433 669 1HB GLN 92 2HB GLN 92 -18.025 3.960 -15.039 670 2HB GLN 92 1HB GLN 92 -16.355 4.402 -14.681 671 1HG GLN 92 2HG GLN 92 -16.650 4.199 -12.430 672 2HG GLN 92 1HG GLN 92 -18.274 4.885 -12.482 673 1HE2 GLN 92 1HE2 GLN 92 -16.475 1.867 -13.255 674 2HE2 GLN 92 2HE2 GLN 92 -17.802 0.836 -13.011 675 H ILE 93 H ILE 93 -15.216 6.117 -14.223 676 HA ILE 93 HA ILE 93 -15.092 7.307 -11.646 677 HB ILE 93 HB ILE 93 -13.121 7.149 -13.927 678 1HG1 ILE 93 2HG1 ILE 93 -13.160 5.907 -11.157 679 2HG1 ILE 93 1HG1 ILE 93 -13.717 5.095 -12.621 680 1HG2 ILE 93 1HG2 ILE 93 -11.582 7.801 -11.786 681 2HG2 ILE 93 2HG2 ILE 93 -13.015 8.770 -11.446 682 3HG2 ILE 93 3HG2 ILE 93 -12.148 8.981 -12.967 683 1HD1 ILE 93 1HD1 ILE 93 -11.172 6.112 -13.260 684 2HD1 ILE 93 2HD1 ILE 93 -11.595 4.425 -12.968 685 3HD1 ILE 93 3HD1 ILE 93 -11.011 5.429 -11.642 686 H ALA 94 H ALA 94 -15.316 8.745 -14.853 687 HA ALA 94 HA ALA 94 -14.578 11.408 -14.212 688 1HB ALA 94 1HB ALA 94 -15.588 12.029 -16.245 689 2HB ALA 94 2HB ALA 94 -16.822 10.774 -16.121 690 3HB ALA 94 3HB ALA 94 -15.157 10.339 -16.510 691 H GLU 95 H GLU 95 -17.599 9.664 -13.672 692 HA GLU 95 HA GLU 95 -19.009 12.099 -12.829 693 1HB GLU 95 2HB GLU 95 -20.141 9.475 -12.081 694 2HB GLU 95 1HB GLU 95 -20.895 10.825 -12.929 695 1HG GLU 95 2HG GLU 95 -19.274 10.134 -14.881 696 2HG GLU 95 1HG GLU 95 -19.237 8.583 -14.042 697 H GLU 96 H GLU 96 -17.370 9.363 -11.314 698 HA GLU 96 HA GLU 96 -18.270 9.693 -8.657 699 1HB GLU 96 2HB GLU 96 -15.641 8.754 -9.808 700 2HB GLU 96 1HB GLU 96 -15.927 8.793 -8.067 701 1HG GLU 96 2HG GLU 96 -18.071 7.466 -8.550 702 2HG GLU 96 1HG GLU 96 -17.406 7.195 -10.161 703 H LEU 97 H LEU 97 -15.606 11.340 -10.365 704 HA LEU 97 HA LEU 97 -14.997 12.976 -8.005 705 1HB LEU 97 2HB LEU 97 -14.019 13.324 -10.854 706 2HB LEU 97 1HB LEU 97 -13.292 13.993 -9.392 707 HG LEU 97 HG LEU 97 -13.641 11.019 -9.804 708 1HD1 LEU 97 1HD1 LEU 97 -12.168 11.421 -11.543 709 2HD1 LEU 97 2HD1 LEU 97 -11.024 11.319 -10.204 710 3HD1 LEU 97 3HD1 LEU 97 -11.539 12.895 -10.807 711 1HD2 LEU 97 1HD2 LEU 97 -11.767 11.003 -8.111 712 2HD2 LEU 97 2HD2 LEU 97 -13.278 11.676 -7.502 713 3HD2 LEU 97 3HD2 LEU 97 -11.960 12.750 -7.967 714 H GLU 98 H GLU 98 -16.894 13.234 -10.935 715 HA GLU 98 HA GLU 98 -18.446 14.862 -11.595 716 1HB GLU 98 2HB GLU 98 -18.289 15.056 -8.713 717 2HB GLU 98 1HB GLU 98 -18.529 16.656 -9.413 718 1HG GLU 98 2HG GLU 98 -20.375 15.584 -10.837 719 2HG GLU 98 1HG GLU 98 -20.254 14.200 -9.752 720 H LEU 99 H LEU 99 -16.542 15.492 -13.001 721 HA LEU 99 HA LEU 99 -15.654 18.259 -12.293 722 1HB LEU 99 2HB LEU 99 -13.568 17.810 -13.546 723 2HB LEU 99 1HB LEU 99 -13.751 16.694 -12.193 724 HG LEU 99 HG LEU 99 -15.002 15.732 -14.670 725 1HD1 LEU 99 1HD1 LEU 99 -11.980 15.953 -14.550 726 2HD1 LEU 99 2HD1 LEU 99 -13.003 16.977 -15.558 727 3HD1 LEU 99 3HD1 LEU 99 -12.939 15.238 -15.846 728 1HD2 LEU 99 1HD2 LEU 99 -13.615 13.710 -13.999 729 2HD2 LEU 99 2HD2 LEU 99 -14.755 14.270 -12.776 730 3HD2 LEU 99 3HD2 LEU 99 -13.041 14.656 -12.626 731 HA PRO 100 HA PRO 100 -17.626 19.525 -16.016 732 1HB PRO 100 2HB PRO 100 -15.904 21.562 -16.778 733 2HB PRO 100 1HB PRO 100 -17.182 21.719 -15.560 734 1HG PRO 100 2HG PRO 100 -14.263 21.333 -15.201 735 2HG PRO 100 1HG PRO 100 -15.412 22.263 -14.226 736 1HD PRO 100 2HD PRO 100 -14.460 19.820 -13.458 737 2HD PRO 100 1HD PRO 100 -16.069 20.417 -12.994 738 HA PRO 101 HA PRO 101 -15.586 17.415 -19.334 739 1HB PRO 101 2HB PRO 101 -16.859 18.617 -21.465 740 2HB PRO 101 1HB PRO 101 -17.573 17.333 -20.472 741 1HG PRO 101 2HG PRO 101 -18.023 20.267 -20.386 742 2HG PRO 101 1HG PRO 101 -19.166 18.938 -20.130 743 1HD PRO 101 2HD PRO 101 -18.093 20.388 -18.074 744 2HD PRO 101 1HD PRO 101 -18.589 18.689 -17.905 745 H VAL 102 H VAL 102 -14.900 20.517 -18.542 746 HA VAL 102 HA VAL 102 -13.701 21.580 -20.920 747 HB VAL 102 HB VAL 102 -14.124 23.047 -19.046 748 1HG1 VAL 102 1HG1 VAL 102 -13.810 21.176 -17.343 749 2HG1 VAL 102 2HG1 VAL 102 -13.145 22.742 -16.879 750 3HG1 VAL 102 3HG1 VAL 102 -12.076 21.470 -17.470 751 1HG2 VAL 102 1HG2 VAL 102 -11.125 22.637 -19.252 752 2HG2 VAL 102 2HG2 VAL 102 -11.963 24.134 -18.843 753 3HG2 VAL 102 3HG2 VAL 102 -12.089 23.469 -20.471 754 H LYS 103 H LYS 103 -12.501 19.421 -18.385 755 HA LYS 103 HA LYS 103 -10.142 18.878 -20.127 756 1HB LYS 103 2HB LYS 103 -8.635 18.911 -18.263 757 2HB LYS 103 1HB LYS 103 -9.567 20.406 -18.171 758 1HG LYS 103 2HG LYS 103 -11.178 18.802 -16.718 759 2HG LYS 103 1HG LYS 103 -9.628 18.022 -16.392 760 1HD LYS 103 2HD LYS 103 -8.811 20.500 -15.991 761 2HD LYS 103 1HD LYS 103 -10.527 20.803 -15.715 762 1HE LYS 103 2HE LYS 103 -10.096 18.486 -14.277 763 2HE LYS 103 1HE LYS 103 -8.590 19.372 -14.034 764 1HZ LYS 103 1HZ LYS 103 -10.598 19.813 -12.488 765 2HZ LYS 103 2HZ LYS 103 -11.162 20.772 -13.771 766 3HZ LYS 103 3HZ LYS 103 -9.668 21.120 -13.040 767 H VAL 104 H VAL 104 -12.502 17.330 -20.009 768 HA VAL 104 HA VAL 104 -12.459 15.206 -18.124 769 HB VAL 104 HB VAL 104 -14.278 15.723 -19.837 770 1HG1 VAL 104 1HG1 VAL 104 -14.065 14.845 -22.051 771 2HG1 VAL 104 2HG1 VAL 104 -12.575 13.994 -21.644 772 3HG1 VAL 104 3HG1 VAL 104 -12.585 15.755 -21.751 773 1HG2 VAL 104 1HG2 VAL 104 -14.968 13.392 -19.992 774 2HG2 VAL 104 2HG2 VAL 104 -14.187 13.646 -18.431 775 3HG2 VAL 104 3HG2 VAL 104 -13.310 12.848 -19.736 776 H HIS 105 H HIS 105 -10.332 15.930 -20.733 777 HA HIS 105 HA HIS 105 -9.379 13.480 -21.614 778 1HB HIS 105 2HB HIS 105 -7.343 14.553 -22.137 779 2HB HIS 105 1HB HIS 105 -8.512 15.873 -22.123 780 HD2 HIS 105 HD2 HIS 105 -5.831 14.370 -19.585 781 HE1 HIS 105 HE1 HIS 105 -6.487 18.440 -18.666 782 HE2 HIS 105 HE2 HIS 105 -5.122 16.383 -18.085 783 H CYS 106 H CYS 106 -9.154 14.813 -18.406 784 HA CYS 106 HA CYS 106 -6.987 13.203 -17.432 785 1HB CYS 106 2HB CYS 106 -7.475 14.836 -15.888 786 2HB CYS 106 1HB CYS 106 -9.205 14.788 -16.230 787 HG CYS 106 HG CYS 106 -8.529 12.210 -14.920 788 H SER 107 H SER 107 -10.526 12.710 -17.383 789 HA SER 107 HA SER 107 -10.422 10.140 -16.111 790 1HB SER 107 2HB SER 107 -12.682 10.148 -17.770 791 2HB SER 107 1HB SER 107 -12.621 10.635 -16.078 792 HG SER 107 HG SER 107 -13.340 12.178 -17.894 793 H ILE 108 H ILE 108 -10.727 11.054 -19.557 794 HA ILE 108 HA ILE 108 -10.726 8.439 -20.633 795 HB ILE 108 HB ILE 108 -9.596 11.018 -21.756 796 1HG1 ILE 108 2HG1 ILE 108 -12.143 10.581 -21.202 797 2HG1 ILE 108 1HG1 ILE 108 -11.690 11.335 -22.730 798 1HG2 ILE 108 1HG2 ILE 108 -8.512 9.294 -22.985 799 2HG2 ILE 108 2HG2 ILE 108 -9.906 9.743 -23.969 800 3HG2 ILE 108 3HG2 ILE 108 -9.956 8.280 -22.984 801 1HD1 ILE 108 1HD1 ILE 108 -12.064 8.348 -22.404 802 2HD1 ILE 108 2HD1 ILE 108 -11.889 9.248 -23.911 803 3HD1 ILE 108 3HD1 ILE 108 -13.350 9.431 -22.939 804 H LEU 109 H LEU 109 -8.059 10.448 -19.495 805 HA LEU 109 HA LEU 109 -5.924 8.874 -20.575 806 1HB LEU 109 2HB LEU 109 -6.220 11.083 -18.726 807 2HB LEU 109 1HB LEU 109 -5.052 9.918 -18.102 808 HG LEU 109 HG LEU 109 -3.916 9.948 -20.340 809 1HD1 LEU 109 1HD1 LEU 109 -6.269 11.196 -21.147 810 2HD1 LEU 109 2HD1 LEU 109 -4.788 11.071 -22.097 811 3HD1 LEU 109 3HD1 LEU 109 -5.091 12.508 -21.120 812 1HD2 LEU 109 1HD2 LEU 109 -3.231 12.503 -20.041 813 2HD2 LEU 109 2HD2 LEU 109 -2.772 11.297 -18.841 814 3HD2 LEU 109 3HD2 LEU 109 -4.165 12.339 -18.554 815 H ALA 110 H ALA 110 -7.127 8.933 -17.195 816 HA ALA 110 HA ALA 110 -5.786 6.786 -16.127 817 1HB ALA 110 1HB ALA 110 -7.366 7.916 -14.739 818 2HB ALA 110 2HB ALA 110 -7.955 6.259 -14.871 819 3HB ALA 110 3HB ALA 110 -8.699 7.540 -15.829 820 H GLU 111 H GLU 111 -8.849 6.480 -17.965 821 HA GLU 111 HA GLU 111 -8.859 3.630 -18.017 822 1HB GLU 111 2HB GLU 111 -10.755 5.236 -18.661 823 2HB GLU 111 1HB GLU 111 -9.954 5.378 -20.227 824 1HG GLU 111 2HG GLU 111 -11.598 3.634 -20.437 825 2HG GLU 111 1HG GLU 111 -10.019 2.850 -20.379 826 H ASP 112 H ASP 112 -7.893 5.880 -20.640 827 HA ASP 112 HA ASP 112 -6.888 4.062 -22.475 828 1HB ASP 112 2HB ASP 112 -6.028 6.827 -21.687 829 2HB ASP 112 1HB ASP 112 -5.051 5.924 -22.845 830 H ALA 113 H ALA 113 -5.383 5.104 -19.455 831 HA ALA 113 HA ALA 113 -2.806 3.943 -19.924 832 1HB ALA 113 1HB ALA 113 -2.344 4.550 -17.758 833 2HB ALA 113 2HB ALA 113 -3.887 3.949 -17.152 834 3HB ALA 113 3HB ALA 113 -3.808 5.510 -17.970 835 H ILE 114 H ILE 114 -5.275 2.690 -17.649 836 HA ILE 114 HA ILE 114 -4.314 0.170 -17.202 837 HB ILE 114 HB ILE 114 -6.684 1.319 -16.678 838 1HG1 ILE 114 2HG1 ILE 114 -7.417 -1.195 -16.172 839 2HG1 ILE 114 1HG1 ILE 114 -5.737 -1.518 -16.602 840 1HG2 ILE 114 1HG2 ILE 114 -7.369 -0.807 -18.725 841 2HG2 ILE 114 2HG2 ILE 114 -7.427 0.923 -19.059 842 3HG2 ILE 114 3HG2 ILE 114 -8.495 0.224 -17.841 843 1HD1 ILE 114 1HD1 ILE 114 -6.579 0.560 -14.564 844 2HD1 ILE 114 2HD1 ILE 114 -4.938 0.008 -14.904 845 3HD1 ILE 114 3HD1 ILE 114 -6.098 -1.084 -14.146 846 H LYS 115 H LYS 115 -5.808 1.281 -20.208 847 HA LYS 115 HA LYS 115 -5.978 -1.293 -21.468 848 1HB LYS 115 2HB LYS 115 -6.867 1.151 -22.157 849 2HB LYS 115 1HB LYS 115 -5.403 1.107 -23.139 850 1HG LYS 115 2HG LYS 115 -6.228 -1.265 -23.842 851 2HG LYS 115 1HG LYS 115 -7.795 -0.720 -23.241 852 1HD LYS 115 2HD LYS 115 -7.880 -0.093 -25.499 853 2HD LYS 115 1HD LYS 115 -7.343 1.393 -24.714 854 1HE LYS 115 2HE LYS 115 -5.663 1.321 -26.249 855 2HE LYS 115 1HE LYS 115 -4.953 0.141 -25.146 856 1HZ LYS 115 1HZ LYS 115 -5.858 -0.248 -27.775 857 2HZ LYS 115 2HZ LYS 115 -6.816 -1.190 -26.735 858 3HZ LYS 115 3HZ LYS 115 -5.128 -1.369 -26.734 859 H ALA 116 H ALA 116 -3.657 1.311 -22.288 860 HA ALA 116 HA ALA 116 -1.827 -0.166 -23.739 861 1HB ALA 116 1HB ALA 116 -1.816 2.358 -22.791 862 2HB ALA 116 2HB ALA 116 -0.370 1.587 -23.442 863 3HB ALA 116 3HB ALA 116 -0.631 1.644 -21.699 864 H ALA 117 H ALA 117 -1.931 0.107 -20.181 865 HA ALA 117 HA ALA 117 0.318 -1.495 -19.590 866 1HB ALA 117 1HB ALA 117 -1.671 -0.260 -18.113 867 2HB ALA 117 2HB ALA 117 -0.384 -1.265 -17.447 868 3HB ALA 117 3HB ALA 117 -1.961 -1.972 -17.804 869 H ILE 118 H ILE 118 -3.036 -2.452 -20.285 870 HA ILE 118 HA ILE 118 -2.666 -5.252 -19.781 871 HB ILE 118 HB ILE 118 -4.627 -3.714 -21.494 872 1HG1 ILE 118 2HG1 ILE 118 -5.199 -5.380 -19.050 873 2HG1 ILE 118 1HG1 ILE 118 -4.592 -3.732 -18.882 874 1HG2 ILE 118 1HG2 ILE 118 -5.880 -5.972 -21.456 875 2HG2 ILE 118 2HG2 ILE 118 -4.315 -6.687 -21.068 876 3HG2 ILE 118 3HG2 ILE 118 -4.535 -5.815 -22.585 877 1HD1 ILE 118 1HD1 ILE 118 -6.739 -3.877 -20.841 878 2HD1 ILE 118 2HD1 ILE 118 -6.599 -2.853 -19.412 879 3HD1 ILE 118 3HD1 ILE 118 -7.260 -4.482 -19.268 880 H ALA 119 H ALA 119 -2.492 -3.338 -22.793 881 HA ALA 119 HA ALA 119 -1.965 -5.409 -24.608 882 1HB ALA 119 1HB ALA 119 -1.199 -3.762 -26.069 883 2HB ALA 119 2HB ALA 119 -0.387 -2.862 -24.788 884 3HB ALA 119 3HB ALA 119 -2.144 -2.796 -24.934 885 H ASP 120 H ASP 120 0.516 -3.458 -22.905 886 HA ASP 120 HA ASP 120 2.786 -4.881 -23.685 887 1HB ASP 120 2HB ASP 120 2.194 -3.702 -20.953 888 2HB ASP 120 1HB ASP 120 3.798 -4.149 -21.537 889 H TYR 121 H TYR 121 0.969 -5.500 -20.651 890 HA TYR 121 HA TYR 121 2.291 -7.850 -19.891 891 1HB TYR 121 2HB TYR 121 0.764 -7.097 -18.300 892 2HB TYR 121 1HB TYR 121 -0.510 -6.846 -19.495 893 HD1 TYR 121 HD1 TYR 121 1.432 -9.472 -17.698 894 HD2 TYR 121 HD2 TYR 121 -2.072 -8.562 -20.011 895 HE1 TYR 121 HE1 TYR 121 0.522 -11.726 -17.208 896 HE2 TYR 121 HE2 TYR 121 -2.981 -10.816 -19.520 897 HH TYR 121 HH TYR 121 -2.615 -12.771 -18.545 898 H LYS 122 H LYS 122 0.125 -7.359 -22.556 899 HA LYS 122 HA LYS 122 -0.254 -10.286 -22.894 900 1HB LYS 122 2HB LYS 122 -2.209 -8.786 -23.204 901 2HB LYS 122 1HB LYS 122 -1.360 -7.977 -24.521 902 1HG LYS 122 2HG LYS 122 -1.711 -9.696 -25.977 903 2HG LYS 122 1HG LYS 122 -1.480 -10.925 -24.733 904 1HD LYS 122 2HD LYS 122 -3.741 -10.259 -23.800 905 2HD LYS 122 1HD LYS 122 -3.966 -9.278 -25.248 906 1HE LYS 122 2HE LYS 122 -5.002 -11.423 -25.651 907 2HE LYS 122 1HE LYS 122 -3.531 -11.348 -26.621 908 1HZ LYS 122 1HZ LYS 122 -4.212 -13.205 -24.637 909 2HZ LYS 122 2HZ LYS 122 -2.855 -12.335 -24.099 910 3HZ LYS 122 3HZ LYS 122 -2.809 -13.149 -25.590 911 H ALA 123 H ALA 123 1.911 -7.874 -23.830 912 HA ALA 123 HA ALA 123 2.588 -9.304 -26.361 913 1HB ALA 123 1HB ALA 123 4.071 -7.235 -26.712 914 2HB ALA 123 2HB ALA 123 3.217 -6.529 -25.339 915 3HB ALA 123 3HB ALA 123 2.328 -6.979 -26.795 916 H LYS 124 H LYS 124 3.501 -9.080 -23.124 917 HA LYS 124 HA LYS 124 6.378 -9.345 -23.478 918 1HB LYS 124 2HB LYS 124 4.517 -9.119 -21.274 919 2HB LYS 124 1HB LYS 124 5.646 -10.443 -20.982 920 1HG LYS 124 2HG LYS 124 6.566 -8.333 -20.120 921 2HG LYS 124 1HG LYS 124 7.540 -8.921 -21.468 922 1HD LYS 124 2HD LYS 124 5.600 -7.383 -22.716 923 2HD LYS 124 1HD LYS 124 5.958 -6.469 -21.252 924 1HE LYS 124 2HE LYS 124 8.455 -6.918 -21.882 925 2HE LYS 124 1HE LYS 124 7.811 -7.247 -23.491 926 1HZ LYS 124 1HZ LYS 124 8.497 -4.874 -22.974 927 2HZ LYS 124 2HZ LYS 124 7.104 -4.791 -22.005 928 3HZ LYS 124 3HZ LYS 124 6.966 -5.097 -23.671 929 H GLN 125 H GLN 125 3.704 -11.463 -23.774 930 HA GLN 125 HA GLN 125 4.648 -13.945 -22.922 931 1HB GLN 125 2HB GLN 125 2.430 -13.436 -24.070 932 2HB GLN 125 1HB GLN 125 3.302 -13.535 -25.601 933 1HG GLN 125 2HG GLN 125 4.057 -15.828 -24.988 934 2HG GLN 125 1HG GLN 125 3.088 -15.726 -23.516 935 1HE2 GLN 125 1HE2 GLN 125 0.677 -15.405 -23.848 936 2HE2 GLN 125 2HE2 GLN 125 -0.040 -16.033 -25.254 937 H GLY 126 H GLY 126 4.889 -13.091 -26.380 938 1HA GLY 126 2HA GLY 126 7.660 -13.152 -26.710 939 2HA GLY 126 1HA GLY 126 7.161 -14.844 -26.745 940 H LEU 127 H LEU 127 5.457 -11.972 -27.998 941 HA LEU 127 HA LEU 127 5.498 -13.297 -30.681 942 1HB LEU 127 2HB LEU 127 3.365 -12.108 -29.103 943 2HB LEU 127 1HB LEU 127 3.488 -11.339 -30.685 944 HG LEU 127 HG LEU 127 1.985 -13.287 -30.783 945 1HD1 LEU 127 1HD1 LEU 127 4.149 -12.744 -32.470 946 2HD1 LEU 127 2HD1 LEU 127 2.743 -13.733 -32.862 947 3HD1 LEU 127 3HD1 LEU 127 4.208 -14.491 -32.233 948 1HD2 LEU 127 1HD2 LEU 127 3.665 -15.491 -30.605 949 2HD2 LEU 127 2HD2 LEU 127 2.502 -14.987 -29.378 950 3HD2 LEU 127 3HD2 LEU 127 4.186 -14.477 -29.259 951 H GLU 128 H GLU 128 6.754 -10.725 -28.936 952 HA GLU 128 HA GLU 128 6.640 -8.452 -30.496 953 1HB GLU 128 2HB GLU 128 9.011 -9.714 -29.106 954 2HB GLU 128 1HB GLU 128 9.115 -8.136 -29.889 955 1HG GLU 128 2HG GLU 128 6.865 -8.657 -27.976 956 2HG GLU 128 1HG GLU 128 8.468 -8.304 -27.332 957 H HIS 129 H HIS 129 9.130 -10.990 -31.002 958 HA HIS 129 HA HIS 129 9.783 -9.932 -33.634 959 1HB HIS 129 2HB HIS 129 10.530 -12.560 -32.313 960 2HB HIS 129 1HB HIS 129 11.234 -11.937 -33.805 961 HD2 HIS 129 HD2 HIS 129 11.066 -10.793 -29.991 962 HE1 HIS 129 HE1 HIS 129 14.473 -9.079 -31.806 963 HE2 HIS 129 HE2 HIS 129 13.210 -9.353 -29.623 964 H HIS 130 H HIS 130 9.325 -10.948 -35.657 965 HA HIS 130 HA HIS 130 7.038 -12.877 -35.555 966 1HB HIS 130 2HB HIS 130 6.557 -11.885 -37.901 967 2HB HIS 130 1HB HIS 130 6.154 -10.898 -36.496 968 HD2 HIS 130 HD2 HIS 130 8.883 -10.994 -39.351 969 HE1 HIS 130 HE1 HIS 130 9.200 -7.304 -37.321 970 HE2 HIS 130 HE2 HIS 130 10.026 -8.650 -39.306 971 H HIS 131 H HIS 131 7.071 -13.493 -38.323 972 HA HIS 131 HA HIS 131 9.713 -14.270 -39.202 973 1HB HIS 131 2HB HIS 131 9.657 -16.617 -38.786 974 2HB HIS 131 1HB HIS 131 9.227 -15.862 -37.251 975 HD2 HIS 131 HD2 HIS 131 7.690 -18.303 -39.823 976 HE1 HIS 131 HE1 HIS 131 4.604 -17.273 -37.128 977 HE2 HIS 131 HE2 HIS 131 5.265 -18.832 -39.019 978 H HIS 132 H HIS 132 7.266 -13.033 -40.247 979 HA HIS 132 HA HIS 132 6.547 -15.041 -42.346 980 1HB HIS 132 2HB HIS 132 4.472 -13.751 -42.659 981 2HB HIS 132 1HB HIS 132 4.627 -14.277 -40.982 982 HD2 HIS 132 HD2 HIS 132 3.620 -12.105 -39.576 983 HE1 HIS 132 HE1 HIS 132 5.808 -9.078 -41.547 984 HE2 HIS 132 HE2 HIS 132 4.195 -9.562 -39.649 985 H HIS 133 H HIS 133 8.944 -13.655 -42.640 986 HA HIS 133 HA HIS 133 8.695 -11.181 -44.070 987 1HB HIS 133 2HB HIS 133 10.797 -12.785 -43.179 988 2HB HIS 133 1HB HIS 133 10.943 -12.835 -44.936 989 HD2 HIS 133 HD2 HIS 133 10.619 -9.939 -45.989 990 HE1 HIS 133 HE1 HIS 133 12.793 -8.505 -42.663 991 HE2 HIS 133 HE2 HIS 133 11.933 -7.925 -44.979 992 H HIS 134 HN HIS 134 10.147 -11.761 -46.477 993 HA HIS 134 HA HIS 134 7.993 -13.156 -48.011 994 1HB HIS 134 2HB HIS 134 9.684 -10.761 -48.550 995 2HB HIS 134 1HB HIS 134 9.309 -11.797 -49.926 996 HD2 HIS 134 HD2 HIS 134 7.554 -9.163 -47.693 997 HE1 HIS 134 HE1 HIS 134 4.578 -10.867 -50.157 998 HE2 HIS 134 HE2 HIS 134 5.087 -8.996 -48.522 Start of MODEL 3 1 1H MET 1 1H MET 1 0.972 -30.187 -13.508 2 2H MET 1 2H MET 1 -0.655 -29.740 -13.314 3 3H MET 1 3H MET 1 -0.259 -31.189 -14.106 4 HA MET 1 HA MET 1 -0.858 -31.962 -12.041 5 1HB MET 1 2HB MET 1 1.421 -32.720 -12.645 6 2HB MET 1 1HB MET 1 2.098 -31.322 -11.808 7 1HG MET 1 2HG MET 1 1.302 -32.088 -9.686 8 2HG MET 1 1HG MET 1 0.287 -33.320 -10.438 9 1HE MET 1 1HE MET 1 2.294 -36.198 -9.624 10 2HE MET 1 2HE MET 1 0.755 -35.448 -10.043 11 3HE MET 1 3HE MET 1 1.562 -35.007 -8.540 12 H ALA 2 H ALA 2 -1.330 -31.533 -9.854 13 HA ALA 2 HA ALA 2 -1.833 -30.149 -8.024 14 1HB ALA 2 1HB ALA 2 0.501 -30.262 -7.498 15 2HB ALA 2 2HB ALA 2 0.061 -28.558 -7.387 16 3HB ALA 2 3HB ALA 2 0.918 -29.157 -8.807 17 H TYR 3 H TYR 3 -3.423 -28.646 -8.188 18 HA TYR 3 HA TYR 3 -3.415 -26.694 -10.364 19 1HB TYR 3 2HB TYR 3 -5.422 -27.915 -9.036 20 2HB TYR 3 1HB TYR 3 -5.339 -26.415 -8.112 21 HD1 TYR 3 HD1 TYR 3 -5.526 -24.205 -9.308 22 HD2 TYR 3 HD2 TYR 3 -6.294 -27.954 -11.258 23 HE1 TYR 3 HE1 TYR 3 -6.715 -23.014 -11.128 24 HE2 TYR 3 HE2 TYR 3 -7.485 -26.763 -13.079 25 HH TYR 3 HH TYR 3 -7.848 -23.213 -13.021 26 H SER 4 H SER 4 -2.485 -26.753 -7.010 27 HA SER 4 HA SER 4 -2.665 -23.975 -6.412 28 1HB SER 4 2HB SER 4 -1.735 -24.624 -4.458 29 2HB SER 4 1HB SER 4 -1.735 -26.260 -5.108 30 HG SER 4 HG SER 4 0.353 -25.738 -4.521 31 H GLU 5 H GLU 5 0.014 -23.265 -5.754 32 HA GLU 5 HA GLU 5 1.178 -22.956 -8.493 33 1HB GLU 5 2HB GLU 5 0.660 -21.017 -6.314 34 2HB GLU 5 1HB GLU 5 2.230 -20.865 -7.103 35 1HG GLU 5 2HG GLU 5 0.667 -19.484 -8.321 36 2HG GLU 5 1HG GLU 5 1.027 -20.891 -9.321 37 H LYS 6 H LYS 6 3.645 -22.239 -8.178 38 HA LYS 6 HA LYS 6 5.115 -24.433 -7.294 39 1HB LYS 6 2HB LYS 6 5.799 -21.522 -7.602 40 2HB LYS 6 1HB LYS 6 6.991 -22.631 -6.925 41 1HG LYS 6 2HG LYS 6 5.556 -23.345 -9.470 42 2HG LYS 6 1HG LYS 6 6.939 -22.252 -9.514 43 1HD LYS 6 2HD LYS 6 8.433 -23.888 -8.833 44 2HD LYS 6 1HD LYS 6 7.195 -24.805 -7.972 45 1HE LYS 6 2HE LYS 6 6.330 -25.735 -9.966 46 2HE LYS 6 1HE LYS 6 7.129 -24.530 -10.976 47 1HZ LYS 6 1HZ LYS 6 8.172 -26.814 -10.886 48 2HZ LYS 6 2HZ LYS 6 8.652 -26.434 -9.302 49 3HZ LYS 6 3HZ LYS 6 9.208 -25.501 -10.608 50 H VAL 7 H VAL 7 6.913 -24.007 -5.400 51 HA VAL 7 HA VAL 7 5.281 -23.807 -2.939 52 HB VAL 7 HB VAL 7 8.142 -24.697 -3.414 53 1HG1 VAL 7 1HG1 VAL 7 7.926 -25.527 -1.026 54 2HG1 VAL 7 2HG1 VAL 7 6.468 -24.544 -0.894 55 3HG1 VAL 7 3HG1 VAL 7 8.026 -23.774 -1.194 56 1HG2 VAL 7 1HG2 VAL 7 6.815 -26.439 -4.207 57 2HG2 VAL 7 2HG2 VAL 7 5.488 -26.065 -3.108 58 3HG2 VAL 7 3HG2 VAL 7 6.934 -26.872 -2.503 59 H ILE 8 H ILE 8 5.328 -22.020 -1.664 60 HA ILE 8 HA ILE 8 6.999 -19.749 -2.424 61 HB ILE 8 HB ILE 8 5.487 -19.816 0.158 62 1HG1 ILE 8 2HG1 ILE 8 3.992 -21.006 -1.376 63 2HG1 ILE 8 1HG1 ILE 8 3.378 -19.375 -1.101 64 1HG2 ILE 8 1HG2 ILE 8 5.646 -17.787 -2.091 65 2HG2 ILE 8 2HG2 ILE 8 6.707 -17.795 -0.682 66 3HG2 ILE 8 3HG2 ILE 8 4.976 -17.523 -0.481 67 1HD1 ILE 8 1HD1 ILE 8 5.069 -20.211 -3.475 68 2HD1 ILE 8 2HD1 ILE 8 4.368 -18.616 -3.207 69 3HD1 ILE 8 3HD1 ILE 8 3.319 -20.002 -3.508 70 H ASP 9 H ASP 9 6.929 -22.116 0.213 71 HA ASP 9 HA ASP 9 9.108 -20.827 1.663 72 1HB ASP 9 2HB ASP 9 7.247 -22.436 2.566 73 2HB ASP 9 1HB ASP 9 8.336 -23.712 2.020 74 H HIS 10 H HIS 10 10.092 -20.982 -0.816 75 HA HIS 10 HA HIS 10 11.848 -23.403 -0.825 76 1HB HIS 10 2HB HIS 10 10.223 -22.470 -2.852 77 2HB HIS 10 1HB HIS 10 11.791 -21.782 -3.276 78 HD2 HIS 10 HD2 HIS 10 10.160 -25.350 -2.821 79 HE1 HIS 10 HE1 HIS 10 13.949 -25.831 -4.625 80 HE2 HIS 10 HE2 HIS 10 11.823 -27.027 -3.929 81 H TYR 11 H TYR 11 13.717 -22.269 -2.699 82 HA TYR 11 HA TYR 11 14.846 -19.982 -1.146 83 1HB TYR 11 2HB TYR 11 16.341 -22.459 -2.061 84 2HB TYR 11 1HB TYR 11 17.097 -21.027 -1.362 85 HD1 TYR 11 HD1 TYR 11 15.605 -24.181 -0.652 86 HD2 TYR 11 HD2 TYR 11 16.164 -20.236 0.953 87 HE1 TYR 11 HE1 TYR 11 15.133 -25.041 1.627 88 HE2 TYR 11 HE2 TYR 11 15.692 -21.096 3.231 89 HH TYR 11 HH TYR 11 14.757 -24.486 3.758 90 H GLU 12 H GLU 12 14.620 -18.402 -2.699 91 HA GLU 12 HA GLU 12 16.346 -18.492 -5.019 92 1HB GLU 12 2HB GLU 12 14.347 -19.907 -5.725 93 2HB GLU 12 1HB GLU 12 13.379 -18.436 -5.616 94 1HG GLU 12 2HG GLU 12 15.602 -17.639 -7.081 95 2HG GLU 12 1HG GLU 12 15.269 -19.261 -7.687 96 H ASN 13 H ASN 13 15.326 -16.819 -2.634 97 HA ASN 13 HA ASN 13 14.658 -14.572 -2.233 98 1HB ASN 13 2HB ASN 13 16.677 -14.257 -4.477 99 2HB ASN 13 1HB ASN 13 16.221 -13.008 -3.317 100 1HD2 ASN 13 1HD2 ASN 13 17.862 -16.164 -3.612 101 2HD2 ASN 13 2HD2 ASN 13 18.704 -16.049 -2.142 102 HA PRO 14 HA PRO 14 11.572 -14.519 -5.705 103 1HB PRO 14 2HB PRO 14 10.032 -13.226 -3.513 104 2HB PRO 14 1HB PRO 14 9.555 -14.540 -4.606 105 1HG PRO 14 2HG PRO 14 10.155 -14.983 -2.041 106 2HG PRO 14 1HG PRO 14 10.535 -16.154 -3.314 107 1HD PRO 14 2HD PRO 14 12.372 -14.310 -1.845 108 2HD PRO 14 1HD PRO 14 12.687 -15.930 -2.505 109 H ARG 15 H ARG 15 13.725 -12.549 -5.240 110 HA ARG 15 HA ARG 15 12.299 -10.179 -6.274 111 1HB ARG 15 2HB ARG 15 14.275 -9.326 -4.323 112 2HB ARG 15 1HB ARG 15 12.576 -8.868 -4.458 113 1HG ARG 15 2HG ARG 15 11.898 -10.896 -3.274 114 2HG ARG 15 1HG ARG 15 13.574 -11.446 -3.208 115 1HD ARG 15 2HD ARG 15 12.824 -8.763 -2.070 116 2HD ARG 15 1HD ARG 15 12.566 -10.229 -1.125 117 HE ARG 15 HE ARG 15 15.194 -10.439 -2.002 118 1HH1 ARG 15 1HH2 ARG 15 13.274 -8.125 -0.315 119 2HH1 ARG 15 2HH2 ARG 15 14.601 -7.494 0.603 120 1HH2 ARG 15 2HH1 ARG 15 16.939 -9.628 -0.814 121 2HH2 ARG 15 1HH1 ARG 15 16.676 -8.346 0.319 122 H ASN 16 H ASN 16 14.126 -8.426 -6.765 123 HA ASN 16 HA ASN 16 16.189 -7.916 -7.798 124 1HB ASN 16 2HB ASN 16 16.956 -9.838 -6.098 125 2HB ASN 16 1HB ASN 16 17.154 -10.735 -7.605 126 1HD2 ASN 16 1HD2 ASN 16 19.169 -9.392 -5.634 127 2HD2 ASN 16 2HD2 ASN 16 20.174 -8.490 -6.663 128 H VAL 17 H VAL 17 15.305 -11.303 -8.596 129 HA VAL 17 HA VAL 17 15.240 -10.445 -11.463 130 HB VAL 17 HB VAL 17 15.745 -12.983 -11.839 131 1HG1 VAL 17 1HG1 VAL 17 18.187 -12.508 -11.669 132 2HG1 VAL 17 2HG1 VAL 17 17.813 -11.045 -10.759 133 3HG1 VAL 17 3HG1 VAL 17 17.298 -11.194 -12.439 134 1HG2 VAL 17 1HG2 VAL 17 17.050 -12.658 -9.134 135 2HG2 VAL 17 2HG2 VAL 17 16.826 -14.133 -10.074 136 3HG2 VAL 17 3HG2 VAL 17 15.442 -13.367 -9.293 137 H GLY 18 H GLY 18 13.665 -11.633 -12.797 138 1HA GLY 18 2HA GLY 18 11.740 -13.116 -12.989 139 2HA GLY 18 1HA GLY 18 11.513 -12.986 -11.243 140 H SER 19 H SER 19 11.991 -10.013 -11.403 141 HA SER 19 HA SER 19 9.997 -8.830 -13.093 142 1HB SER 19 2HB SER 19 8.086 -9.090 -11.928 143 2HB SER 19 1HB SER 19 8.938 -10.209 -10.868 144 HG SER 19 HG SER 19 8.393 -7.476 -10.555 145 H LEU 20 H LEU 20 9.326 -6.572 -11.952 146 HA LEU 20 HA LEU 20 10.058 -4.577 -10.927 147 1HB LEU 20 2HB LEU 20 11.024 -6.340 -9.201 148 2HB LEU 20 1HB LEU 20 12.563 -5.901 -9.945 149 HG LEU 20 HG LEU 20 12.097 -3.514 -9.480 150 1HD1 LEU 20 1HD1 LEU 20 9.490 -4.673 -8.712 151 2HD1 LEU 20 2HD1 LEU 20 9.875 -3.052 -9.289 152 3HD1 LEU 20 3HD1 LEU 20 10.118 -3.465 -7.592 153 1HD2 LEU 20 1HD2 LEU 20 12.562 -5.603 -7.525 154 2HD2 LEU 20 2HD2 LEU 20 11.735 -4.238 -6.775 155 3HD2 LEU 20 3HD2 LEU 20 13.268 -3.990 -7.610 156 H ASP 21 H ASP 21 10.453 -4.715 -13.526 157 HA ASP 21 HA ASP 21 12.961 -3.282 -13.937 158 1HB ASP 21 2HB ASP 21 12.742 -6.135 -14.586 159 2HB ASP 21 1HB ASP 21 13.222 -5.147 -15.967 160 H LYS 22 H LYS 22 9.899 -3.234 -14.365 161 HA LYS 22 HA LYS 22 8.404 -2.465 -16.011 162 1HB LYS 22 2HB LYS 22 10.971 -1.145 -16.946 163 2HB LYS 22 1HB LYS 22 9.351 -0.692 -17.476 164 1HG LYS 22 2HG LYS 22 9.757 -0.833 -14.539 165 2HG LYS 22 1HG LYS 22 10.600 0.476 -15.370 166 1HD LYS 22 2HD LYS 22 7.770 0.048 -16.163 167 2HD LYS 22 1HD LYS 22 8.031 0.672 -14.534 168 1HE LYS 22 2HE LYS 22 9.261 2.558 -15.357 169 2HE LYS 22 1HE LYS 22 9.352 1.871 -16.979 170 1HZ LYS 22 1HZ LYS 22 6.917 2.016 -17.097 171 2HZ LYS 22 2HZ LYS 22 7.645 3.539 -16.900 172 3HZ LYS 22 3HZ LYS 22 6.893 2.775 -15.582 173 H LYS 23 H LYS 23 10.435 -4.843 -16.602 174 HA LYS 23 HA LYS 23 9.442 -5.200 -19.374 175 1HB LYS 23 2HB LYS 23 12.207 -4.669 -18.650 176 2HB LYS 23 1HB LYS 23 12.051 -6.241 -19.433 177 1HG LYS 23 2HG LYS 23 10.642 -5.063 -21.210 178 2HG LYS 23 1HG LYS 23 11.200 -3.546 -20.504 179 1HD LYS 23 2HD LYS 23 13.581 -4.626 -20.750 180 2HD LYS 23 1HD LYS 23 12.784 -5.659 -21.937 181 1HE LYS 23 2HE LYS 23 11.843 -3.398 -22.875 182 2HE LYS 23 1HE LYS 23 13.194 -2.683 -21.996 183 1HZ LYS 23 1HZ LYS 23 13.641 -4.995 -23.761 184 2HZ LYS 23 2HZ LYS 23 14.734 -3.787 -23.277 185 3HZ LYS 23 3HZ LYS 23 13.528 -3.437 -24.423 186 H ASP 24 H ASP 24 8.162 -6.552 -17.601 187 HA ASP 24 HA ASP 24 9.402 -9.269 -17.602 188 1HB ASP 24 2HB ASP 24 7.573 -8.763 -15.365 189 2HB ASP 24 1HB ASP 24 9.169 -9.513 -15.360 190 H SER 25 H SER 25 8.007 -10.885 -18.252 191 HA SER 25 HA SER 25 5.601 -10.216 -19.617 192 1HB SER 25 2HB SER 25 6.234 -12.269 -20.366 193 2HB SER 25 1HB SER 25 7.021 -12.683 -18.845 194 HG SER 25 HG SER 25 4.208 -12.575 -19.199 195 H ASN 26 H ASN 26 6.117 -10.031 -16.381 196 HA ASN 26 HA ASN 26 3.286 -10.768 -15.749 197 1HB ASN 26 2HB ASN 26 4.426 -10.634 -13.305 198 2HB ASN 26 1HB ASN 26 4.388 -12.118 -14.256 199 1HD2 ASN 26 1HD2 ASN 26 6.486 -10.064 -12.595 200 2HD2 ASN 26 2HD2 ASN 26 7.938 -10.517 -13.348 201 H VAL 27 H VAL 27 5.084 -8.173 -16.488 202 HA VAL 27 HA VAL 27 3.573 -6.427 -14.587 203 HB VAL 27 HB VAL 27 6.380 -5.997 -15.653 204 1HG1 VAL 27 1HG1 VAL 27 6.167 -3.829 -15.078 205 2HG1 VAL 27 2HG1 VAL 27 5.533 -4.263 -13.491 206 3HG1 VAL 27 3HG1 VAL 27 4.439 -4.112 -14.866 207 1HG2 VAL 27 1HG2 VAL 27 5.304 -6.621 -12.885 208 2HG2 VAL 27 2HG2 VAL 27 6.971 -6.155 -13.221 209 3HG2 VAL 27 3HG2 VAL 27 6.328 -7.663 -13.873 210 H GLY 28 H GLY 28 1.937 -5.850 -16.028 211 1HA GLY 28 2HA GLY 28 2.478 -5.168 -18.797 212 2HA GLY 28 1HA GLY 28 0.954 -4.901 -17.949 213 H THR 29 H THR 29 3.276 -3.254 -19.513 214 HA THR 29 HA THR 29 3.283 -0.949 -17.624 215 HB THR 29 HB THR 29 4.822 -1.019 -20.206 216 HG1 THR 29 HG1 THR 29 6.249 -1.855 -18.074 217 1HG2 THR 29 1HG2 THR 29 5.887 0.763 -19.313 218 2HG2 THR 29 2HG2 THR 29 6.060 -0.024 -17.743 219 3HG2 THR 29 3HG2 THR 29 4.561 0.813 -18.152 220 H GLY 30 H GLY 30 2.067 0.840 -18.089 221 1HA GLY 30 2HA GLY 30 0.952 1.071 -20.853 222 2HA GLY 30 1HA GLY 30 -0.080 1.290 -19.438 223 H MET 31 H MET 31 2.328 2.763 -21.463 224 HA MET 31 HA MET 31 2.413 5.166 -19.709 225 1HB MET 31 2HB MET 31 4.598 4.580 -20.419 226 2HB MET 31 1HB MET 31 4.062 4.245 -22.066 227 1HG MET 31 2HG MET 31 3.661 6.588 -22.489 228 2HG MET 31 1HG MET 31 3.941 6.992 -20.796 229 1HE MET 31 1HE MET 31 5.315 8.791 -21.621 230 2HE MET 31 2HE MET 31 5.624 8.438 -23.318 231 3HE MET 31 3HE MET 31 6.977 8.681 -22.216 232 H VAL 32 H VAL 32 1.318 7.013 -20.284 233 HA VAL 32 HA VAL 32 0.099 7.072 -23.016 234 HB VAL 32 HB VAL 32 -1.849 8.238 -21.964 235 1HG1 VAL 32 1HG1 VAL 32 -2.888 6.242 -21.228 236 2HG1 VAL 32 2HG1 VAL 32 -1.378 5.592 -20.589 237 3HG1 VAL 32 3HG1 VAL 32 -1.630 5.689 -22.332 238 1HG2 VAL 32 1HG2 VAL 32 -0.281 8.798 -19.897 239 2HG2 VAL 32 2HG2 VAL 32 -0.893 7.257 -19.295 240 3HG2 VAL 32 3HG2 VAL 32 -2.015 8.566 -19.668 241 H GLY 33 H GLY 33 -0.245 9.237 -23.877 242 1HA GLY 33 2HA GLY 33 1.243 11.400 -22.469 243 2HA GLY 33 1HA GLY 33 1.654 11.023 -24.142 244 H ALA 34 H ALA 34 -0.088 13.136 -22.342 245 HA ALA 34 HA ALA 34 -2.137 13.485 -24.496 246 1HB ALA 34 1HB ALA 34 -3.700 14.193 -22.916 247 2HB ALA 34 2HB ALA 34 -2.459 14.668 -21.755 248 3HB ALA 34 3HB ALA 34 -2.824 12.962 -22.008 249 HA PRO 35 HA PRO 35 0.570 17.192 -24.642 250 1HB PRO 35 2HB PRO 35 0.734 17.333 -27.351 251 2HB PRO 35 1HB PRO 35 1.765 16.261 -26.385 252 1HG PRO 35 2HG PRO 35 -0.613 15.621 -28.030 253 2HG PRO 35 1HG PRO 35 0.843 14.662 -27.719 254 1HD PRO 35 2HD PRO 35 -1.630 14.294 -26.461 255 2HD PRO 35 1HD PRO 35 -0.075 13.669 -25.873 256 H ALA 36 H ALA 36 -2.364 17.162 -24.336 257 HA ALA 36 HA ALA 36 -2.998 19.546 -26.028 258 1HB ALA 36 1HB ALA 36 -5.224 17.803 -25.082 259 2HB ALA 36 2HB ALA 36 -4.234 17.191 -26.408 260 3HB ALA 36 3HB ALA 36 -5.082 18.729 -26.576 261 H CYS 37 H CYS 37 -3.571 17.821 -22.979 262 HA CYS 37 HA CYS 37 -3.478 20.207 -21.409 263 1HB CYS 37 2HB CYS 37 -5.729 20.443 -22.640 264 2HB CYS 37 1HB CYS 37 -6.281 19.103 -21.637 265 HG CYS 37 HG CYS 37 -6.535 21.710 -20.613 266 H GLY 38 H GLY 38 -4.504 16.870 -21.781 267 1HA GLY 38 2HA GLY 38 -4.768 16.325 -18.948 268 2HA GLY 38 1HA GLY 38 -4.624 15.112 -20.221 269 H ASP 39 H ASP 39 -2.092 16.957 -20.905 270 HA ASP 39 HA ASP 39 0.213 16.795 -20.489 271 1HB ASP 39 2HB ASP 39 -1.078 16.682 -17.855 272 2HB ASP 39 1HB ASP 39 0.487 15.873 -17.897 273 H VAL 40 H VAL 40 1.804 15.006 -19.285 274 HA VAL 40 HA VAL 40 0.990 12.455 -20.561 275 HB VAL 40 HB VAL 40 3.421 11.841 -20.063 276 1HG1 VAL 40 1HG1 VAL 40 2.440 13.967 -21.906 277 2HG1 VAL 40 2HG1 VAL 40 3.194 12.418 -22.278 278 3HG1 VAL 40 3HG1 VAL 40 4.187 13.780 -21.759 279 1HG2 VAL 40 1HG2 VAL 40 3.585 13.626 -18.248 280 2HG2 VAL 40 2HG2 VAL 40 3.669 14.814 -19.549 281 3HG2 VAL 40 3HG2 VAL 40 4.924 13.583 -19.395 282 H MET 41 H MET 41 1.010 10.472 -19.382 283 HA MET 41 HA MET 41 1.348 10.673 -16.437 284 1HB MET 41 2HB MET 41 -1.003 11.015 -16.621 285 2HB MET 41 1HB MET 41 -1.157 9.793 -17.884 286 1HG MET 41 2HG MET 41 -0.755 8.012 -16.348 287 2HG MET 41 1HG MET 41 -0.191 9.121 -15.099 288 1HE MET 41 1HE MET 41 -2.378 6.998 -14.243 289 2HE MET 41 2HE MET 41 -2.591 6.853 -15.985 290 3HE MET 41 3HE MET 41 -3.977 7.225 -14.964 291 H GLN 42 H GLN 42 2.343 8.865 -15.631 292 HA GLN 42 HA GLN 42 2.691 6.573 -17.514 293 1HB GLN 42 2HB GLN 42 4.637 8.007 -16.301 294 2HB GLN 42 1HB GLN 42 4.371 6.774 -15.069 295 1HG GLN 42 2HG GLN 42 4.584 5.032 -16.883 296 2HG GLN 42 1HG GLN 42 5.072 6.324 -17.981 297 1HE2 GLN 42 1HE2 GLN 42 7.220 7.146 -17.796 298 2HE2 GLN 42 2HE2 GLN 42 8.353 6.540 -16.688 299 H LEU 43 H LEU 43 1.724 4.670 -16.978 300 HA LEU 43 HA LEU 43 1.016 4.213 -14.113 301 1HB LEU 43 2HB LEU 43 -0.962 4.997 -15.520 302 2HB LEU 43 1HB LEU 43 -0.808 3.486 -16.416 303 HG LEU 43 HG LEU 43 -0.715 2.730 -13.716 304 1HD1 LEU 43 1HD1 LEU 43 -3.047 4.610 -14.163 305 2HD1 LEU 43 2HD1 LEU 43 -1.594 5.075 -13.277 306 3HD1 LEU 43 3HD1 LEU 43 -2.614 3.767 -12.674 307 1HD2 LEU 43 1HD2 LEU 43 -2.999 2.713 -15.717 308 2HD2 LEU 43 2HD2 LEU 43 -2.952 1.749 -14.240 309 3HD2 LEU 43 3HD2 LEU 43 -1.773 1.460 -15.520 310 H GLN 44 H GLN 44 1.467 2.153 -13.421 311 HA GLN 44 HA GLN 44 1.971 0.058 -15.476 312 1HB GLN 44 2HB GLN 44 3.826 0.619 -13.143 313 2HB GLN 44 1HB GLN 44 4.048 -0.600 -14.398 314 1HG GLN 44 2HG GLN 44 5.277 0.999 -15.443 315 2HG GLN 44 1HG GLN 44 3.712 1.677 -15.893 316 1HE2 GLN 44 1HE2 GLN 44 4.083 3.918 -15.676 317 2HE2 GLN 44 2HE2 GLN 44 4.630 4.654 -14.247 318 H ILE 45 H ILE 45 1.241 -1.950 -14.842 319 HA ILE 45 HA ILE 45 0.260 -2.184 -12.025 320 HB ILE 45 HB ILE 45 -1.457 -3.784 -13.019 321 1HG1 ILE 45 2HG1 ILE 45 -1.696 -2.774 -15.596 322 2HG1 ILE 45 1HG1 ILE 45 0.043 -3.011 -15.418 323 1HG2 ILE 45 1HG2 ILE 45 -1.624 -1.161 -12.525 324 2HG2 ILE 45 2HG2 ILE 45 -2.962 -2.053 -13.249 325 3HG2 ILE 45 3HG2 ILE 45 -1.877 -1.106 -14.270 326 1HD1 ILE 45 1HD1 ILE 45 -0.448 -5.334 -14.560 327 2HD1 ILE 45 2HD1 ILE 45 -0.886 -5.077 -16.249 328 3HD1 ILE 45 3HD1 ILE 45 -2.134 -5.074 -15.003 329 H LYS 46 H LYS 46 0.701 -4.136 -10.967 330 HA LYS 46 HA LYS 46 2.666 -5.890 -12.360 331 1HB LYS 46 2HB LYS 46 3.304 -4.835 -10.171 332 2HB LYS 46 1HB LYS 46 2.008 -5.754 -9.403 333 1HG LYS 46 2HG LYS 46 3.044 -7.837 -9.912 334 2HG LYS 46 1HG LYS 46 4.167 -7.085 -11.046 335 1HD LYS 46 2HD LYS 46 5.221 -5.851 -9.182 336 2HD LYS 46 1HD LYS 46 4.111 -6.622 -8.049 337 1HE LYS 46 2HE LYS 46 4.996 -8.855 -9.029 338 2HE LYS 46 1HE LYS 46 6.327 -7.882 -9.655 339 1HZ LYS 46 1HZ LYS 46 6.966 -7.255 -7.511 340 2HZ LYS 46 2HZ LYS 46 6.635 -8.917 -7.384 341 3HZ LYS 46 3HZ LYS 46 5.510 -7.776 -6.815 342 H VAL 47 H VAL 47 2.393 -8.201 -12.251 343 HA VAL 47 HA VAL 47 -0.329 -9.107 -11.424 344 HB VAL 47 HB VAL 47 1.093 -9.964 -13.964 345 1HG1 VAL 47 1HG1 VAL 47 -0.786 -11.294 -14.401 346 2HG1 VAL 47 2HG1 VAL 47 -1.809 -10.387 -13.286 347 3HG1 VAL 47 3HG1 VAL 47 -0.589 -11.495 -12.659 348 1HG2 VAL 47 1HG2 VAL 47 -1.121 -8.729 -14.842 349 2HG2 VAL 47 2HG2 VAL 47 0.387 -7.854 -14.584 350 3HG2 VAL 47 3HG2 VAL 47 -0.882 -7.805 -13.360 351 H ASP 48 H ASP 48 -0.030 -10.627 -9.876 352 HA ASP 48 HA ASP 48 2.439 -11.883 -9.273 353 1HB ASP 48 2HB ASP 48 0.676 -11.833 -7.620 354 2HB ASP 48 1HB ASP 48 -0.404 -12.746 -8.676 355 H ASP 49 H ASP 49 -0.141 -14.136 -9.914 356 HA ASP 49 HA ASP 49 1.057 -15.084 -12.426 357 1HB ASP 49 2HB ASP 49 2.081 -16.097 -10.052 358 2HB ASP 49 1HB ASP 49 0.876 -17.299 -10.518 359 H ASN 50 H ASN 50 -1.596 -14.218 -11.091 360 HA ASN 50 HA ASN 50 -3.209 -16.322 -12.403 361 1HB ASN 50 2HB ASN 50 -3.575 -15.502 -9.506 362 2HB ASN 50 1HB ASN 50 -4.732 -16.467 -10.423 363 1HD2 ASN 50 1HD2 ASN 50 -2.252 -16.809 -8.243 364 2HD2 ASN 50 2HD2 ASN 50 -1.709 -18.360 -8.671 365 H GLY 51 H GLY 51 -2.518 -13.389 -12.733 366 1HA GLY 51 2HA GLY 51 -3.731 -11.587 -13.658 367 2HA GLY 51 1HA GLY 51 -5.214 -12.512 -13.411 368 H ILE 52 H ILE 52 -2.930 -11.901 -10.812 369 HA ILE 52 HA ILE 52 -5.020 -10.204 -9.514 370 HB ILE 52 HB ILE 52 -2.746 -11.669 -8.152 371 1HG1 ILE 52 2HG1 ILE 52 -4.169 -13.306 -9.298 372 2HG1 ILE 52 1HG1 ILE 52 -4.472 -13.369 -7.560 373 1HG2 ILE 52 1HG2 ILE 52 -5.367 -10.511 -7.149 374 2HG2 ILE 52 2HG2 ILE 52 -3.768 -9.808 -6.896 375 3HG2 ILE 52 3HG2 ILE 52 -4.177 -11.358 -6.160 376 1HD1 ILE 52 1HD1 ILE 52 -6.354 -11.637 -8.066 377 2HD1 ILE 52 2HD1 ILE 52 -6.641 -13.332 -8.462 378 3HD1 ILE 52 3HD1 ILE 52 -6.194 -12.193 -9.732 379 H ILE 53 H ILE 53 -4.481 -8.127 -8.939 380 HA ILE 53 HA ILE 53 -1.910 -7.080 -9.866 381 HB ILE 53 HB ILE 53 -4.107 -5.660 -8.331 382 1HG1 ILE 53 2HG1 ILE 53 -3.655 -5.887 -11.325 383 2HG1 ILE 53 1HG1 ILE 53 -4.941 -6.697 -10.429 384 1HG2 ILE 53 1HG2 ILE 53 -1.835 -4.675 -10.082 385 2HG2 ILE 53 2HG2 ILE 53 -1.979 -4.457 -8.338 386 3HG2 ILE 53 3HG2 ILE 53 -3.110 -3.651 -9.424 387 1HD1 ILE 53 1HD1 ILE 53 -5.694 -4.412 -9.636 388 2HD1 ILE 53 2HD1 ILE 53 -5.894 -4.696 -11.366 389 3HD1 ILE 53 3HD1 ILE 53 -4.548 -3.716 -10.783 390 H GLU 54 H GLU 54 -0.550 -8.341 -8.374 391 HA GLU 54 HA GLU 54 -0.701 -8.237 -5.553 392 1HB GLU 54 2HB GLU 54 1.053 -9.313 -7.413 393 2HB GLU 54 1HB GLU 54 2.041 -8.112 -6.580 394 1HG GLU 54 2HG GLU 54 1.185 -9.096 -4.394 395 2HG GLU 54 1HG GLU 54 0.517 -10.419 -5.351 396 H ASP 55 H ASP 55 0.821 -5.980 -7.842 397 HA ASP 55 HA ASP 55 0.866 -3.962 -5.649 398 1HB ASP 55 2HB ASP 55 3.157 -5.020 -6.012 399 2HB ASP 55 1HB ASP 55 3.143 -4.290 -7.617 400 H ALA 56 H ALA 56 1.055 -1.712 -6.550 401 HA ALA 56 HA ALA 56 0.183 -1.512 -9.391 402 1HB ALA 56 1HB ALA 56 -1.856 -1.479 -7.991 403 2HB ALA 56 2HB ALA 56 -1.586 0.084 -8.763 404 3HB ALA 56 3HB ALA 56 -1.189 -0.138 -7.060 405 H LYS 57 H LYS 57 1.991 -0.435 -10.128 406 HA LYS 57 HA LYS 57 3.007 1.873 -8.557 407 1HB LYS 57 2HB LYS 57 4.320 -0.108 -9.962 408 2HB LYS 57 1HB LYS 57 4.348 1.242 -11.095 409 1HG LYS 57 2HG LYS 57 6.296 1.543 -9.780 410 2HG LYS 57 1HG LYS 57 5.127 2.675 -9.100 411 1HD LYS 57 2HD LYS 57 4.821 1.422 -7.177 412 2HD LYS 57 1HD LYS 57 5.229 -0.096 -7.975 413 1HE LYS 57 2HE LYS 57 7.239 2.102 -7.428 414 2HE LYS 57 1HE LYS 57 6.987 0.719 -6.363 415 1HZ LYS 57 1HZ LYS 57 7.262 -0.212 -8.991 416 2HZ LYS 57 2HZ LYS 57 8.283 -0.489 -7.661 417 3HZ LYS 57 3HZ LYS 57 8.547 0.849 -8.674 418 H PHE 58 H PHE 58 3.306 3.946 -9.633 419 HA PHE 58 HA PHE 58 2.202 4.425 -12.274 420 1HB PHE 58 2HB PHE 58 0.218 5.603 -11.701 421 2HB PHE 58 1HB PHE 58 0.157 4.126 -10.738 422 HD1 PHE 58 HD1 PHE 58 0.589 4.170 -8.324 423 HD2 PHE 58 HD2 PHE 58 0.657 7.767 -10.670 424 HE1 PHE 58 HE1 PHE 58 0.500 5.525 -6.249 425 HE2 PHE 58 HE2 PHE 58 0.568 9.122 -8.596 426 HZ PHE 58 HZ PHE 58 0.490 8.001 -6.385 427 H LYS 59 H LYS 59 2.084 6.915 -12.634 428 HA LYS 59 HA LYS 59 3.602 8.570 -10.779 429 1HB LYS 59 2HB LYS 59 5.004 7.071 -12.828 430 2HB LYS 59 1HB LYS 59 5.188 8.806 -13.092 431 1HG LYS 59 2HG LYS 59 5.757 8.979 -10.603 432 2HG LYS 59 1HG LYS 59 5.893 7.221 -10.615 433 1HD LYS 59 2HD LYS 59 7.610 7.334 -12.356 434 2HD LYS 59 1HD LYS 59 7.442 9.089 -12.433 435 1HE LYS 59 2HE LYS 59 9.384 8.214 -11.019 436 2HE LYS 59 1HE LYS 59 8.312 9.370 -10.230 437 1HZ LYS 59 1HZ LYS 59 8.381 6.428 -9.906 438 2HZ LYS 59 2HZ LYS 59 7.062 7.367 -9.391 439 3HZ LYS 59 3HZ LYS 59 8.601 7.618 -8.717 440 H THR 60 H THR 60 2.817 10.598 -11.049 441 HA THR 60 HA THR 60 1.637 11.294 -13.709 442 HB THR 60 HB THR 60 -0.058 12.430 -12.640 443 HG1 THR 60 HG1 THR 60 0.990 13.966 -11.559 444 1HG2 THR 60 1HG2 THR 60 0.743 10.759 -10.260 445 2HG2 THR 60 2HG2 THR 60 0.135 10.022 -11.742 446 3HG2 THR 60 3HG2 THR 60 -0.880 11.142 -10.832 447 H TYR 61 H TYR 61 2.807 12.779 -14.829 448 HA TYR 61 HA TYR 61 4.256 14.886 -13.304 449 1HB TYR 61 2HB TYR 61 5.548 12.689 -14.458 450 2HB TYR 61 1HB TYR 61 5.768 13.989 -15.629 451 HD1 TYR 61 HD1 TYR 61 6.163 13.121 -12.023 452 HD2 TYR 61 HD2 TYR 61 7.281 15.765 -15.219 453 HE1 TYR 61 HE1 TYR 61 7.904 14.135 -10.576 454 HE2 TYR 61 HE2 TYR 61 9.022 16.779 -13.772 455 HH TYR 61 HH TYR 61 10.400 15.896 -11.662 456 H GLY 62 H GLY 62 2.993 16.585 -14.047 457 1HA GLY 62 2HA GLY 62 3.432 17.923 -16.384 458 2HA GLY 62 1HA GLY 62 2.220 16.740 -16.875 459 H CYS 63 H CYS 63 0.410 16.614 -14.954 460 HA CYS 63 HA CYS 63 -0.546 19.428 -14.699 461 1HB CYS 63 2HB CYS 63 -1.821 17.158 -15.671 462 2HB CYS 63 1HB CYS 63 -2.471 17.327 -14.041 463 HG CYS 63 HG CYS 63 -3.701 18.843 -16.009 464 H GLY 64 H GLY 64 -1.329 20.169 -12.668 465 1HA GLY 64 2HA GLY 64 -0.412 18.522 -10.349 466 2HA GLY 64 1HA GLY 64 -0.487 20.285 -10.345 467 H SER 65 H SER 65 -3.111 18.720 -11.908 468 HA SER 65 HA SER 65 -4.790 19.071 -9.457 469 1HB SER 65 2HB SER 65 -4.943 20.647 -11.717 470 2HB SER 65 1HB SER 65 -6.173 19.425 -12.029 471 HG SER 65 HG SER 65 -6.199 20.296 -9.452 472 H ALA 66 H ALA 66 -4.274 17.326 -12.491 473 HA ALA 66 HA ALA 66 -6.490 15.526 -12.224 474 1HB ALA 66 1HB ALA 66 -3.822 15.218 -13.630 475 2HB ALA 66 2HB ALA 66 -5.350 15.719 -14.353 476 3HB ALA 66 3HB ALA 66 -5.148 14.065 -13.776 477 H ILE 67 H ILE 67 -3.864 15.922 -10.226 478 HA ILE 67 HA ILE 67 -3.028 13.271 -9.637 479 HB ILE 67 HB ILE 67 -3.343 15.523 -7.633 480 1HG1 ILE 67 2HG1 ILE 67 -2.141 16.472 -9.469 481 2HG1 ILE 67 1HG1 ILE 67 -0.911 15.980 -8.304 482 1HG2 ILE 67 1HG2 ILE 67 -1.213 14.368 -6.757 483 2HG2 ILE 67 2HG2 ILE 67 -1.656 13.023 -7.808 484 3HG2 ILE 67 3HG2 ILE 67 -2.739 13.521 -6.508 485 1HD1 ILE 67 1HD1 ILE 67 -1.709 14.608 -10.872 486 2HD1 ILE 67 2HD1 ILE 67 -0.833 13.752 -9.603 487 3HD1 ILE 67 3HD1 ILE 67 -0.109 15.161 -10.376 488 H ALA 68 H ALA 68 -5.848 15.119 -8.575 489 HA ALA 68 HA ALA 68 -6.785 13.568 -6.456 490 1HB ALA 68 1HB ALA 68 -9.124 14.096 -7.468 491 2HB ALA 68 2HB ALA 68 -8.223 14.991 -8.692 492 3HB ALA 68 3HB ALA 68 -8.097 15.449 -6.993 493 H SER 69 H SER 69 -7.784 13.049 -9.865 494 HA SER 69 HA SER 69 -8.979 10.514 -9.413 495 1HB SER 69 2HB SER 69 -7.566 11.258 -11.977 496 2HB SER 69 1HB SER 69 -8.999 10.254 -11.773 497 HG SER 69 HG SER 69 -9.341 12.496 -12.478 498 H SER 70 H SER 70 -5.710 11.225 -10.706 499 HA SER 70 HA SER 70 -4.630 8.738 -11.017 500 1HB SER 70 2HB SER 70 -3.390 11.098 -9.584 501 2HB SER 70 1HB SER 70 -2.481 9.655 -10.022 502 HG SER 70 HG SER 70 -3.181 11.744 -11.544 503 H SER 71 H SER 71 -4.354 10.350 -7.827 504 HA SER 71 HA SER 71 -3.645 8.071 -6.352 505 1HB SER 71 2HB SER 71 -3.849 9.445 -4.553 506 2HB SER 71 1HB SER 71 -4.190 10.699 -5.742 507 HG SER 71 HG SER 71 -6.454 9.682 -5.519 508 H LEU 72 H LEU 72 -6.805 9.073 -7.521 509 HA LEU 72 HA LEU 72 -8.348 7.252 -5.900 510 1HB LEU 72 2HB LEU 72 -9.196 9.275 -7.242 511 2HB LEU 72 1HB LEU 72 -9.125 8.222 -8.656 512 HG LEU 72 HG LEU 72 -10.509 6.557 -7.234 513 1HD1 LEU 72 1HD1 LEU 72 -11.195 7.196 -5.184 514 2HD1 LEU 72 2HD1 LEU 72 -11.808 8.726 -5.810 515 3HD1 LEU 72 3HD1 LEU 72 -10.119 8.586 -5.325 516 1HD2 LEU 72 1HD2 LEU 72 -12.466 8.579 -7.624 517 2HD2 LEU 72 2HD2 LEU 72 -12.047 7.266 -8.723 518 3HD2 LEU 72 3HD2 LEU 72 -11.234 8.825 -8.862 519 H ILE 73 H ILE 73 -7.979 7.037 -9.446 520 HA ILE 73 HA ILE 73 -8.641 4.403 -9.834 521 HB ILE 73 HB ILE 73 -8.028 5.651 -11.762 522 1HG1 ILE 73 2HG1 ILE 73 -5.590 3.946 -11.689 523 2HG1 ILE 73 1HG1 ILE 73 -7.126 3.130 -11.397 524 1HG2 ILE 73 1HG2 ILE 73 -6.353 7.063 -10.369 525 2HG2 ILE 73 2HG2 ILE 73 -5.981 6.786 -12.069 526 3HG2 ILE 73 3HG2 ILE 73 -5.168 5.840 -10.823 527 1HD1 ILE 73 1HD1 ILE 73 -6.971 5.052 -13.682 528 2HD1 ILE 73 2HD1 ILE 73 -7.930 3.581 -13.519 529 3HD1 ILE 73 3HD1 ILE 73 -6.205 3.475 -13.871 530 H THR 74 H THR 74 -5.258 5.420 -9.188 531 HA THR 74 HA THR 74 -4.070 2.935 -8.904 532 HB THR 74 HB THR 74 -2.566 3.990 -7.202 533 HG1 THR 74 HG1 THR 74 -4.188 5.244 -6.190 534 1HG2 THR 74 1HG2 THR 74 -1.692 4.567 -9.223 535 2HG2 THR 74 2HG2 THR 74 -2.279 6.175 -8.801 536 3HG2 THR 74 3HG2 THR 74 -3.244 5.131 -9.844 537 H GLU 75 H GLU 75 -5.955 4.662 -6.414 538 HA GLU 75 HA GLU 75 -5.691 2.518 -4.474 539 1HB GLU 75 2HB GLU 75 -7.466 4.953 -4.693 540 2HB GLU 75 1HB GLU 75 -7.674 3.775 -3.396 541 1HG GLU 75 2HG GLU 75 -5.313 4.087 -2.736 542 2HG GLU 75 1HG GLU 75 -5.115 5.278 -4.021 543 H TRP 76 H TRP 76 -7.606 2.983 -7.266 544 HA TRP 76 HA TRP 76 -9.756 1.180 -6.328 545 1HB TRP 76 2HB TRP 76 -9.643 3.280 -8.186 546 2HB TRP 76 1HB TRP 76 -9.811 1.823 -9.165 547 HD1 TRP 76 HD1 TRP 76 -11.359 2.840 -5.759 548 HE1 TRP 76 HE1 TRP 76 -13.906 2.461 -5.898 549 HE3 TRP 76 HE3 TRP 76 -11.750 1.235 -10.591 550 HZ2 TRP 76 HZ2 TRP 76 -15.850 1.592 -7.806 551 HZ3 TRP 76 HZ3 TRP 76 -13.959 0.639 -11.542 552 HH2 TRP 76 HH2 TRP 76 -16.007 0.816 -10.158 553 H VAL 77 H VAL 77 -6.717 0.960 -7.823 554 HA VAL 77 HA VAL 77 -7.401 -1.775 -8.826 555 HB VAL 77 HB VAL 77 -5.635 -1.481 -10.531 556 1HG1 VAL 77 1HG1 VAL 77 -7.440 -0.831 -11.724 557 2HG1 VAL 77 2HG1 VAL 77 -6.919 0.828 -11.426 558 3HG1 VAL 77 3HG1 VAL 77 -8.103 0.070 -10.360 559 1HG2 VAL 77 1HG2 VAL 77 -4.158 0.236 -10.466 560 2HG2 VAL 77 2HG2 VAL 77 -4.778 0.566 -8.849 561 3HG2 VAL 77 3HG2 VAL 77 -5.442 1.425 -10.239 562 H LYS 78 H LYS 78 -6.774 -1.908 -6.317 563 HA LYS 78 HA LYS 78 -3.846 -2.520 -6.231 564 1HB LYS 78 2HB LYS 78 -5.355 -0.713 -4.590 565 2HB LYS 78 1HB LYS 78 -4.818 -2.061 -3.588 566 1HG LYS 78 2HG LYS 78 -2.534 -1.681 -4.108 567 2HG LYS 78 1HG LYS 78 -2.935 -0.639 -5.473 568 1HD LYS 78 2HD LYS 78 -3.808 1.070 -3.973 569 2HD LYS 78 1HD LYS 78 -3.568 0.014 -2.580 570 1HE LYS 78 2HE LYS 78 -1.149 0.372 -4.210 571 2HE LYS 78 1HE LYS 78 -1.739 1.867 -3.486 572 1HZ LYS 78 1HZ LYS 78 -0.547 -0.428 -2.235 573 2HZ LYS 78 2HZ LYS 78 -1.981 0.074 -1.476 574 3HZ LYS 78 3HZ LYS 78 -0.691 1.163 -1.665 575 H GLY 79 H GLY 79 -3.908 -4.743 -6.446 576 1HA GLY 79 2HA GLY 79 -4.095 -6.922 -5.517 577 2HA GLY 79 1HA GLY 79 -5.119 -6.261 -4.243 578 H LYS 80 H LYS 80 -6.252 -5.103 -7.156 579 HA LYS 80 HA LYS 80 -8.584 -6.860 -7.040 580 1HB LYS 80 2HB LYS 80 -7.840 -4.710 -9.049 581 2HB LYS 80 1HB LYS 80 -9.418 -5.486 -8.915 582 1HG LYS 80 2HG LYS 80 -8.171 -4.124 -6.534 583 2HG LYS 80 1HG LYS 80 -9.075 -3.196 -7.731 584 1HD LYS 80 2HD LYS 80 -11.021 -4.709 -7.402 585 2HD LYS 80 1HD LYS 80 -10.119 -5.568 -6.153 586 1HE LYS 80 2HE LYS 80 -9.827 -3.187 -5.097 587 2HE LYS 80 1HE LYS 80 -11.215 -2.770 -6.102 588 1HZ LYS 80 1HZ LYS 80 -11.047 -4.773 -3.936 589 2HZ LYS 80 2HZ LYS 80 -12.274 -4.844 -5.110 590 3HZ LYS 80 3HZ LYS 80 -12.136 -3.482 -4.103 591 H SER 81 H SER 81 -9.167 -7.106 -9.811 592 HA SER 81 HA SER 81 -6.967 -8.912 -10.730 593 1HB SER 81 2HB SER 81 -8.611 -10.443 -10.044 594 2HB SER 81 1HB SER 81 -9.932 -9.395 -10.554 595 HG SER 81 HG SER 81 -8.549 -11.269 -11.952 596 H LEU 82 H LEU 82 -6.568 -8.902 -12.961 597 HA LEU 82 HA LEU 82 -6.974 -6.578 -14.444 598 1HB LEU 82 2HB LEU 82 -6.664 -9.436 -15.400 599 2HB LEU 82 1HB LEU 82 -6.618 -8.044 -16.481 600 HG LEU 82 HG LEU 82 -4.807 -8.377 -14.073 601 1HD1 LEU 82 1HD1 LEU 82 -4.577 -9.278 -16.908 602 2HD1 LEU 82 2HD1 LEU 82 -3.910 -9.998 -15.442 603 3HD1 LEU 82 3HD1 LEU 82 -3.137 -8.586 -16.162 604 1HD2 LEU 82 1HD2 LEU 82 -4.447 -6.178 -14.456 605 2HD2 LEU 82 2HD2 LEU 82 -5.391 -6.220 -15.946 606 3HD2 LEU 82 3HD2 LEU 82 -3.683 -6.657 -15.971 607 H GLU 83 H GLU 83 -9.289 -8.948 -13.617 608 HA GLU 83 HA GLU 83 -11.079 -8.444 -15.878 609 1HB GLU 83 2HB GLU 83 -10.869 -10.426 -13.920 610 2HB GLU 83 1HB GLU 83 -12.344 -9.556 -13.497 611 1HG GLU 83 2HG GLU 83 -12.853 -11.372 -15.070 612 2HG GLU 83 1HG GLU 83 -13.145 -9.807 -15.830 613 H GLU 84 H GLU 84 -10.480 -7.069 -12.738 614 HA GLU 84 HA GLU 84 -13.048 -5.584 -12.796 615 1HB GLU 84 2HB GLU 84 -10.953 -6.143 -10.747 616 2HB GLU 84 1HB GLU 84 -11.846 -4.630 -10.597 617 1HG GLU 84 2HG GLU 84 -13.141 -7.356 -10.898 618 2HG GLU 84 1HG GLU 84 -12.919 -6.523 -9.358 619 H ALA 85 H ALA 85 -9.722 -5.192 -13.619 620 HA ALA 85 HA ALA 85 -10.026 -2.225 -13.673 621 1HB ALA 85 1HB ALA 85 -7.516 -3.837 -14.195 622 2HB ALA 85 2HB ALA 85 -7.991 -3.289 -12.588 623 3HB ALA 85 3HB ALA 85 -7.630 -2.112 -13.851 624 H GLY 86 H GLY 86 -9.596 -5.050 -15.714 625 1HA GLY 86 2HA GLY 86 -9.251 -3.369 -18.124 626 2HA GLY 86 1HA GLY 86 -9.202 -5.132 -18.079 627 H ALA 87 H ALA 87 -11.704 -2.937 -16.808 628 HA ALA 87 HA ALA 87 -13.566 -3.740 -18.951 629 1HB ALA 87 1HB ALA 87 -13.572 -5.475 -16.985 630 2HB ALA 87 2HB ALA 87 -15.114 -4.875 -17.598 631 3HB ALA 87 3HB ALA 87 -14.439 -4.213 -16.110 632 H ILE 88 H ILE 88 -12.946 -2.013 -15.945 633 HA ILE 88 HA ILE 88 -15.136 -0.316 -15.754 634 HB ILE 88 HB ILE 88 -13.735 1.155 -14.539 635 1HG1 ILE 88 2HG1 ILE 88 -11.628 0.197 -16.461 636 2HG1 ILE 88 1HG1 ILE 88 -12.089 1.851 -16.061 637 1HG2 ILE 88 1HG2 ILE 88 -12.243 -1.478 -14.470 638 2HG2 ILE 88 2HG2 ILE 88 -13.811 -1.231 -13.699 639 3HG2 ILE 88 3HG2 ILE 88 -12.408 -0.308 -13.160 640 1HD1 ILE 88 1HD1 ILE 88 -10.112 1.675 -14.862 641 2HD1 ILE 88 2HD1 ILE 88 -10.335 -0.046 -14.547 642 3HD1 ILE 88 3HD1 ILE 88 -11.270 1.144 -13.642 643 H LYS 89 H LYS 89 -14.705 2.254 -16.280 644 HA LYS 89 HA LYS 89 -13.801 2.500 -19.102 645 1HB LYS 89 2HB LYS 89 -16.490 3.494 -18.109 646 2HB LYS 89 1HB LYS 89 -15.855 3.651 -19.748 647 1HG LYS 89 2HG LYS 89 -15.617 1.000 -19.505 648 2HG LYS 89 1HG LYS 89 -16.931 1.239 -18.355 649 1HD LYS 89 2HD LYS 89 -18.146 2.547 -20.136 650 2HD LYS 89 1HD LYS 89 -16.889 2.057 -21.271 651 1HE LYS 89 2HE LYS 89 -17.641 -0.097 -21.380 652 2HE LYS 89 1HE LYS 89 -18.096 -0.131 -19.676 653 1HZ LYS 89 1HZ LYS 89 -20.128 -0.132 -20.718 654 2HZ LYS 89 2HZ LYS 89 -19.613 0.875 -21.987 655 3HZ LYS 89 3HZ LYS 89 -19.907 1.528 -20.447 656 H ASN 90 H ASN 90 -14.199 5.049 -19.659 657 HA ASN 90 HA ASN 90 -12.639 6.458 -17.592 658 1HB ASN 90 2HB ASN 90 -12.033 7.945 -19.255 659 2HB ASN 90 1HB ASN 90 -12.401 6.535 -20.248 660 1HD2 ASN 90 1HD2 ASN 90 -13.021 9.815 -20.015 661 2HD2 ASN 90 2HD2 ASN 90 -14.495 9.873 -20.854 662 H SER 91 H SER 91 -15.710 6.987 -19.359 663 HA SER 91 HA SER 91 -16.557 9.282 -17.956 664 1HB SER 91 2HB SER 91 -18.928 8.122 -18.392 665 2HB SER 91 1HB SER 91 -17.984 8.816 -19.707 666 HG SER 91 HG SER 91 -18.696 6.651 -20.113 667 H GLN 92 H GLN 92 -16.320 5.988 -16.900 668 HA GLN 92 HA GLN 92 -18.213 6.124 -14.732 669 1HB GLN 92 2HB GLN 92 -16.179 4.265 -15.702 670 2HB GLN 92 1HB GLN 92 -16.228 4.336 -13.940 671 1HG GLN 92 2HG GLN 92 -18.713 4.018 -14.053 672 2HG GLN 92 1HG GLN 92 -18.559 3.781 -15.794 673 1HE2 GLN 92 1HE2 GLN 92 -19.364 1.523 -15.442 674 2HE2 GLN 92 2HE2 GLN 92 -18.300 0.335 -14.862 675 H ILE 93 H ILE 93 -14.629 6.263 -14.671 676 HA ILE 93 HA ILE 93 -14.406 7.097 -11.968 677 HB ILE 93 HB ILE 93 -12.570 7.872 -14.255 678 1HG1 ILE 93 2HG1 ILE 93 -12.349 5.430 -12.484 679 2HG1 ILE 93 1HG1 ILE 93 -13.173 5.386 -14.043 680 1HG2 ILE 93 1HG2 ILE 93 -12.533 8.433 -11.469 681 2HG2 ILE 93 2HG2 ILE 93 -11.263 8.753 -12.649 682 3HG2 ILE 93 3HG2 ILE 93 -11.281 7.227 -11.765 683 1HD1 ILE 93 1HD1 ILE 93 -10.427 6.573 -13.912 684 2HD1 ILE 93 2HD1 ILE 93 -11.217 5.728 -15.242 685 3HD1 ILE 93 3HD1 ILE 93 -10.589 4.818 -13.869 686 H ALA 94 H ALA 94 -14.603 9.040 -14.959 687 HA ALA 94 HA ALA 94 -14.388 11.596 -13.744 688 1HB ALA 94 1HB ALA 94 -14.286 11.528 -16.117 689 2HB ALA 94 2HB ALA 94 -15.814 12.333 -15.759 690 3HB ALA 94 3HB ALA 94 -15.802 10.636 -16.236 691 H GLU 95 H GLU 95 -17.166 9.438 -14.146 692 HA GLU 95 HA GLU 95 -19.178 11.287 -13.297 693 1HB GLU 95 2HB GLU 95 -19.712 9.131 -14.378 694 2HB GLU 95 1HB GLU 95 -19.093 8.271 -12.967 695 1HG GLU 95 2HG GLU 95 -20.786 9.568 -11.579 696 2HG GLU 95 1HG GLU 95 -21.500 10.103 -13.101 697 H GLU 96 H GLU 96 -17.126 9.006 -11.489 698 HA GLU 96 HA GLU 96 -18.303 9.463 -8.928 699 1HB GLU 96 2HB GLU 96 -16.547 7.683 -9.671 700 2HB GLU 96 1HB GLU 96 -15.358 8.934 -9.307 701 1HG GLU 96 2HG GLU 96 -15.876 8.954 -7.030 702 2HG GLU 96 1HG GLU 96 -17.485 8.282 -7.286 703 H LEU 97 H LEU 97 -15.896 11.232 -10.790 704 HA LEU 97 HA LEU 97 -15.443 13.104 -8.537 705 1HB LEU 97 2HB LEU 97 -14.201 12.759 -11.271 706 2HB LEU 97 1HB LEU 97 -13.896 14.197 -10.295 707 HG LEU 97 HG LEU 97 -13.514 11.409 -9.193 708 1HD1 LEU 97 1HD1 LEU 97 -11.110 11.673 -9.713 709 2HD1 LEU 97 2HD1 LEU 97 -11.463 13.177 -10.562 710 3HD1 LEU 97 3HD1 LEU 97 -12.083 11.647 -11.183 711 1HD2 LEU 97 1HD2 LEU 97 -13.285 14.115 -8.191 712 2HD2 LEU 97 2HD2 LEU 97 -11.719 13.308 -8.111 713 3HD2 LEU 97 3HD2 LEU 97 -13.120 12.593 -7.315 714 H GLU 98 H GLU 98 -17.124 12.864 -11.598 715 HA GLU 98 HA GLU 98 -18.554 14.362 -12.702 716 1HB GLU 98 2HB GLU 98 -19.401 14.117 -10.133 717 2HB GLU 98 1HB GLU 98 -19.117 15.857 -10.203 718 1HG GLU 98 2HG GLU 98 -20.732 14.352 -12.277 719 2HG GLU 98 1HG GLU 98 -21.451 15.149 -10.877 720 H LEU 99 H LEU 99 -16.311 15.263 -13.454 721 HA LEU 99 HA LEU 99 -16.113 18.119 -12.584 722 1HB LEU 99 2HB LEU 99 -13.747 18.025 -13.320 723 2HB LEU 99 1HB LEU 99 -14.076 16.856 -12.041 724 HG LEU 99 HG LEU 99 -14.230 16.125 -14.971 725 1HD1 LEU 99 1HD1 LEU 99 -11.986 15.964 -15.111 726 2HD1 LEU 99 2HD1 LEU 99 -11.892 15.117 -13.567 727 3HD1 LEU 99 3HD1 LEU 99 -11.898 16.879 -13.606 728 1HD2 LEU 99 1HD2 LEU 99 -15.058 14.234 -14.054 729 2HD2 LEU 99 2HD2 LEU 99 -14.683 14.789 -12.423 730 3HD2 LEU 99 3HD2 LEU 99 -13.455 13.954 -13.374 731 HA PRO 100 HA PRO 100 -17.373 19.642 -16.513 732 1HB PRO 100 2HB PRO 100 -14.693 20.977 -16.576 733 2HB PRO 100 1HB PRO 100 -16.302 21.666 -16.867 734 1HG PRO 100 2HG PRO 100 -14.966 22.004 -14.553 735 2HG PRO 100 1HG PRO 100 -16.733 21.943 -14.650 736 1HD PRO 100 2HD PRO 100 -14.878 19.975 -13.486 737 2HD PRO 100 1HD PRO 100 -16.632 20.136 -13.261 738 HA PRO 101 HA PRO 101 -15.433 17.027 -19.514 739 1HB PRO 101 2HB PRO 101 -16.190 18.288 -21.821 740 2HB PRO 101 1HB PRO 101 -17.302 17.332 -20.824 741 1HG PRO 101 2HG PRO 101 -16.974 20.280 -21.000 742 2HG PRO 101 1HG PRO 101 -18.446 19.314 -20.797 743 1HD PRO 101 2HD PRO 101 -17.197 20.633 -18.727 744 2HD PRO 101 1HD PRO 101 -18.204 19.187 -18.508 745 H VAL 102 H VAL 102 -14.310 20.095 -18.872 746 HA VAL 102 HA VAL 102 -12.402 20.238 -21.116 747 HB VAL 102 HB VAL 102 -11.630 22.310 -20.002 748 1HG1 VAL 102 1HG1 VAL 102 -13.696 23.583 -20.282 749 2HG1 VAL 102 2HG1 VAL 102 -14.655 22.110 -20.121 750 3HG1 VAL 102 3HG1 VAL 102 -13.607 22.333 -21.523 751 1HG2 VAL 102 1HG2 VAL 102 -13.775 22.385 -18.019 752 2HG2 VAL 102 2HG2 VAL 102 -12.058 22.740 -17.822 753 3HG2 VAL 102 3HG2 VAL 102 -12.633 21.076 -17.710 754 H LYS 103 H LYS 103 -12.575 18.597 -18.206 755 HA LYS 103 HA LYS 103 -9.591 18.426 -18.080 756 1HB LYS 103 2HB LYS 103 -11.622 18.568 -15.854 757 2HB LYS 103 1HB LYS 103 -10.040 17.833 -15.594 758 1HG LYS 103 2HG LYS 103 -9.002 19.840 -15.554 759 2HG LYS 103 1HG LYS 103 -9.863 20.397 -16.989 760 1HD LYS 103 2HD LYS 103 -11.900 20.716 -15.484 761 2HD LYS 103 1HD LYS 103 -10.813 20.468 -14.118 762 1HE LYS 103 2HE LYS 103 -9.756 22.383 -16.062 763 2HE LYS 103 1HE LYS 103 -11.295 22.895 -15.373 764 1HZ LYS 103 1HZ LYS 103 -8.776 22.969 -14.183 765 2HZ LYS 103 2HZ LYS 103 -9.695 21.820 -13.332 766 3HZ LYS 103 3HZ LYS 103 -10.264 23.413 -13.502 767 H VAL 104 H VAL 104 -12.507 16.805 -18.600 768 HA VAL 104 HA VAL 104 -12.252 14.282 -17.471 769 HB VAL 104 HB VAL 104 -14.037 15.105 -19.113 770 1HG1 VAL 104 1HG1 VAL 104 -12.160 15.623 -20.841 771 2HG1 VAL 104 2HG1 VAL 104 -13.666 14.917 -21.429 772 3HG1 VAL 104 3HG1 VAL 104 -12.241 13.900 -21.211 773 1HG2 VAL 104 1HG2 VAL 104 -13.509 12.655 -18.251 774 2HG2 VAL 104 2HG2 VAL 104 -13.070 12.388 -19.938 775 3HG2 VAL 104 3HG2 VAL 104 -14.702 12.914 -19.524 776 H HIS 105 H HIS 105 -10.200 15.770 -19.857 777 HA HIS 105 HA HIS 105 -8.967 13.735 -21.213 778 1HB HIS 105 2HB HIS 105 -7.656 16.028 -19.733 779 2HB HIS 105 1HB HIS 105 -6.780 14.973 -20.842 780 HD2 HIS 105 HD2 HIS 105 -6.693 16.229 -23.296 781 HE1 HIS 105 HE1 HIS 105 -10.545 17.961 -23.238 782 HE2 HIS 105 HE2 HIS 105 -8.434 17.659 -24.611 783 H CYS 106 H CYS 106 -8.218 14.607 -17.821 784 HA CYS 106 HA CYS 106 -6.317 12.581 -17.323 785 1HB CYS 106 2HB CYS 106 -6.608 14.208 -15.618 786 2HB CYS 106 1HB CYS 106 -8.347 13.932 -15.538 787 HG CYS 106 HG CYS 106 -7.950 12.111 -13.912 788 H SER 107 H SER 107 -9.855 12.443 -17.327 789 HA SER 107 HA SER 107 -10.072 9.785 -16.250 790 1HB SER 107 2HB SER 107 -12.317 10.054 -16.593 791 2HB SER 107 1HB SER 107 -11.869 11.734 -16.876 792 HG SER 107 HG SER 107 -12.832 9.874 -18.598 793 H ILE 108 H ILE 108 -10.659 10.795 -19.640 794 HA ILE 108 HA ILE 108 -10.564 8.291 -20.845 795 HB ILE 108 HB ILE 108 -9.428 10.907 -21.874 796 1HG1 ILE 108 2HG1 ILE 108 -11.986 9.598 -22.755 797 2HG1 ILE 108 1HG1 ILE 108 -11.959 10.524 -21.254 798 1HG2 ILE 108 1HG2 ILE 108 -9.406 8.201 -22.988 799 2HG2 ILE 108 2HG2 ILE 108 -8.553 9.644 -23.535 800 3HG2 ILE 108 3HG2 ILE 108 -10.217 9.358 -24.043 801 1HD1 ILE 108 1HD1 ILE 108 -11.330 11.493 -24.046 802 2HD1 ILE 108 2HD1 ILE 108 -10.870 12.405 -22.608 803 3HD1 ILE 108 3HD1 ILE 108 -12.572 12.088 -22.943 804 H LEU 109 H LEU 109 -7.944 10.094 -19.433 805 HA LEU 109 HA LEU 109 -5.815 8.568 -20.705 806 1HB LEU 109 2HB LEU 109 -6.051 10.750 -18.765 807 2HB LEU 109 1HB LEU 109 -4.770 9.611 -18.352 808 HG LEU 109 HG LEU 109 -3.885 9.817 -20.674 809 1HD1 LEU 109 1HD1 LEU 109 -4.924 11.050 -22.293 810 2HD1 LEU 109 2HD1 LEU 109 -5.457 12.284 -21.151 811 3HD1 LEU 109 3HD1 LEU 109 -6.355 10.774 -21.300 812 1HD2 LEU 109 1HD2 LEU 109 -3.817 12.626 -20.075 813 2HD2 LEU 109 2HD2 LEU 109 -2.564 11.417 -19.793 814 3HD2 LEU 109 3HD2 LEU 109 -3.784 11.728 -18.557 815 H ALA 110 H ALA 110 -7.407 8.506 -17.515 816 HA ALA 110 HA ALA 110 -5.860 6.432 -16.360 817 1HB ALA 110 1HB ALA 110 -8.583 7.556 -15.914 818 2HB ALA 110 2HB ALA 110 -7.249 7.359 -14.778 819 3HB ALA 110 3HB ALA 110 -8.249 5.972 -15.213 820 H GLU 111 H GLU 111 -8.886 6.215 -18.255 821 HA GLU 111 HA GLU 111 -9.032 3.349 -18.165 822 1HB GLU 111 2HB GLU 111 -11.029 4.461 -18.779 823 2HB GLU 111 1HB GLU 111 -10.211 5.434 -20.002 824 1HG GLU 111 2HG GLU 111 -11.613 3.448 -20.850 825 2HG GLU 111 1HG GLU 111 -9.966 3.582 -21.468 826 H ASP 112 H ASP 112 -8.280 5.340 -21.048 827 HA ASP 112 HA ASP 112 -7.211 3.342 -22.653 828 1HB ASP 112 2HB ASP 112 -7.216 6.172 -22.661 829 2HB ASP 112 1HB ASP 112 -5.538 5.684 -22.888 830 H ALA 113 H ALA 113 -5.824 4.696 -19.768 831 HA ALA 113 HA ALA 113 -3.104 3.816 -20.317 832 1HB ALA 113 1HB ALA 113 -3.395 5.627 -18.756 833 2HB ALA 113 2HB ALA 113 -2.800 4.244 -17.840 834 3HB ALA 113 3HB ALA 113 -4.508 4.675 -17.774 835 H ILE 114 H ILE 114 -5.677 2.625 -18.123 836 HA ILE 114 HA ILE 114 -4.321 0.314 -17.225 837 HB ILE 114 HB ILE 114 -6.711 1.378 -16.643 838 1HG1 ILE 114 2HG1 ILE 114 -7.226 -1.116 -15.791 839 2HG1 ILE 114 1HG1 ILE 114 -5.543 -1.343 -16.273 840 1HG2 ILE 114 1HG2 ILE 114 -8.536 0.050 -17.491 841 2HG2 ILE 114 2HG2 ILE 114 -7.427 -1.040 -18.323 842 3HG2 ILE 114 3HG2 ILE 114 -7.614 0.622 -18.883 843 1HD1 ILE 114 1HD1 ILE 114 -5.057 0.805 -14.932 844 2HD1 ILE 114 2HD1 ILE 114 -5.418 -0.653 -14.007 845 3HD1 ILE 114 3HD1 ILE 114 -6.659 0.579 -14.230 846 H LYS 115 H LYS 115 -6.296 0.802 -20.142 847 HA LYS 115 HA LYS 115 -6.224 -1.937 -21.004 848 1HB LYS 115 2HB LYS 115 -7.800 -0.201 -21.890 849 2HB LYS 115 1HB LYS 115 -6.441 0.547 -22.731 850 1HG LYS 115 2HG LYS 115 -6.884 -0.856 -24.443 851 2HG LYS 115 1HG LYS 115 -6.254 -2.149 -23.421 852 1HD LYS 115 2HD LYS 115 -8.545 -2.447 -22.463 853 2HD LYS 115 1HD LYS 115 -9.144 -1.248 -23.611 854 1HE LYS 115 2HE LYS 115 -7.865 -2.849 -25.341 855 2HE LYS 115 1HE LYS 115 -8.229 -4.044 -24.094 856 1HZ LYS 115 1HZ LYS 115 -10.059 -4.027 -25.548 857 2HZ LYS 115 2HZ LYS 115 -10.130 -2.330 -25.583 858 3HZ LYS 115 3HZ LYS 115 -10.569 -3.172 -24.174 859 H ALA 116 H ALA 116 -4.255 0.889 -21.993 860 HA ALA 116 HA ALA 116 -2.528 -0.432 -23.775 861 1HB ALA 116 1HB ALA 116 -1.178 1.499 -22.004 862 2HB ALA 116 2HB ALA 116 -2.670 2.104 -22.725 863 3HB ALA 116 3HB ALA 116 -1.365 1.521 -23.757 864 H ALA 117 H ALA 117 -2.311 -0.179 -20.230 865 HA ALA 117 HA ALA 117 0.199 -1.500 -19.942 866 1HB ALA 117 1HB ALA 117 -0.207 -1.083 -17.765 867 2HB ALA 117 2HB ALA 117 -1.602 -2.162 -17.778 868 3HB ALA 117 3HB ALA 117 -1.793 -0.468 -18.227 869 H ILE 118 H ILE 118 -3.130 -2.787 -19.961 870 HA ILE 118 HA ILE 118 -2.378 -5.521 -19.544 871 HB ILE 118 HB ILE 118 -4.795 -4.359 -20.965 872 1HG1 ILE 118 2HG1 ILE 118 -4.683 -5.489 -18.169 873 2HG1 ILE 118 1HG1 ILE 118 -4.272 -3.801 -18.474 874 1HG2 ILE 118 1HG2 ILE 118 -5.824 -6.531 -20.629 875 2HG2 ILE 118 2HG2 ILE 118 -4.404 -7.114 -19.760 876 3HG2 ILE 118 3HG2 ILE 118 -4.301 -6.768 -21.487 877 1HD1 ILE 118 1HD1 ILE 118 -6.760 -4.454 -17.911 878 2HD1 ILE 118 2HD1 ILE 118 -6.815 -4.921 -19.611 879 3HD1 ILE 118 3HD1 ILE 118 -6.432 -3.259 -19.166 880 H ALA 119 H ALA 119 -3.430 -3.945 -22.593 881 HA ALA 119 HA ALA 119 -2.872 -5.927 -24.416 882 1HB ALA 119 1HB ALA 119 -1.714 -3.643 -25.588 883 2HB ALA 119 2HB ALA 119 -2.949 -3.029 -24.489 884 3HB ALA 119 3HB ALA 119 -3.385 -4.182 -25.749 885 H ASP 120 H ASP 120 -0.501 -3.890 -22.744 886 HA ASP 120 HA ASP 120 1.788 -4.864 -24.204 887 1HB ASP 120 2HB ASP 120 1.298 -3.245 -21.774 888 2HB ASP 120 1HB ASP 120 2.820 -4.136 -21.784 889 H TYR 121 H TYR 121 0.128 -5.893 -21.249 890 HA TYR 121 HA TYR 121 2.074 -7.933 -20.574 891 1HB TYR 121 2HB TYR 121 0.728 -7.238 -18.764 892 2HB TYR 121 1HB TYR 121 -0.755 -7.338 -19.713 893 HD1 TYR 121 HD1 TYR 121 -1.775 -9.523 -20.240 894 HD2 TYR 121 HD2 TYR 121 1.724 -9.212 -17.769 895 HE1 TYR 121 HE1 TYR 121 -2.115 -11.853 -19.464 896 HE2 TYR 121 HE2 TYR 121 1.385 -11.544 -16.994 897 HH TYR 121 HH TYR 121 0.277 -13.581 -17.731 898 H LYS 122 H LYS 122 -0.447 -7.697 -22.888 899 HA LYS 122 HA LYS 122 -0.819 -10.616 -23.110 900 1HB LYS 122 2HB LYS 122 -2.445 -8.462 -23.678 901 2HB LYS 122 1HB LYS 122 -1.865 -8.923 -25.277 902 1HG LYS 122 2HG LYS 122 -2.543 -11.274 -24.816 903 2HG LYS 122 1HG LYS 122 -3.197 -10.756 -23.261 904 1HD LYS 122 2HD LYS 122 -4.297 -8.972 -25.121 905 2HD LYS 122 1HD LYS 122 -4.381 -10.547 -25.908 906 1HE LYS 122 2HE LYS 122 -5.302 -11.393 -23.630 907 2HE LYS 122 1HE LYS 122 -5.597 -9.689 -23.289 908 1HZ LYS 122 1HZ LYS 122 -7.045 -9.507 -25.097 909 2HZ LYS 122 2HZ LYS 122 -7.464 -10.985 -24.371 910 3HZ LYS 122 3HZ LYS 122 -6.528 -10.967 -25.788 911 H ALA 123 H ALA 123 0.554 -7.946 -25.036 912 HA ALA 123 HA ALA 123 1.414 -9.529 -27.243 913 1HB ALA 123 1HB ALA 123 2.129 -6.863 -26.115 914 2HB ALA 123 2HB ALA 123 1.627 -7.294 -27.751 915 3HB ALA 123 3HB ALA 123 3.283 -7.595 -27.229 916 H LYS 124 H LYS 124 3.098 -8.613 -24.233 917 HA LYS 124 HA LYS 124 5.507 -10.079 -24.904 918 1HB LYS 124 2HB LYS 124 4.437 -9.037 -22.265 919 2HB LYS 124 1HB LYS 124 6.035 -9.758 -22.464 920 1HG LYS 124 2HG LYS 124 6.760 -8.016 -23.910 921 2HG LYS 124 1HG LYS 124 5.115 -7.435 -24.164 922 1HD LYS 124 2HD LYS 124 5.492 -5.959 -22.500 923 2HD LYS 124 1HD LYS 124 5.470 -7.328 -21.389 924 1HE LYS 124 2HE LYS 124 7.864 -6.047 -22.715 925 2HE LYS 124 1HE LYS 124 7.548 -6.235 -20.990 926 1HZ LYS 124 1HZ LYS 124 7.496 -8.749 -21.638 927 2HZ LYS 124 2HZ LYS 124 8.973 -7.959 -21.356 928 3HZ LYS 124 3HZ LYS 124 8.441 -8.228 -22.947 929 H GLN 125 H GLN 125 2.458 -11.158 -24.247 930 HA GLN 125 HA GLN 125 2.867 -13.263 -22.364 931 1HB GLN 125 2HB GLN 125 0.642 -12.405 -23.271 932 2HB GLN 125 1HB GLN 125 0.964 -13.367 -24.714 933 1HG GLN 125 2HG GLN 125 -0.352 -14.769 -23.305 934 2HG GLN 125 1HG GLN 125 1.303 -15.354 -23.132 935 1HE2 GLN 125 1HE2 GLN 125 1.008 -12.336 -21.608 936 2HE2 GLN 125 2HE2 GLN 125 0.765 -12.885 -20.020 937 H GLY 126 H GLY 126 3.847 -12.913 -25.668 938 1HA GLY 126 2HA GLY 126 5.005 -15.648 -25.550 939 2HA GLY 126 1HA GLY 126 4.019 -15.223 -26.949 940 H LEU 127 H LEU 127 5.882 -12.689 -25.514 941 HA LEU 127 HA LEU 127 7.472 -11.322 -26.637 942 1HB LEU 127 2HB LEU 127 8.809 -14.047 -26.603 943 2HB LEU 127 1HB LEU 127 9.642 -12.505 -26.800 944 HG LEU 127 HG LEU 127 8.064 -12.140 -24.526 945 1HD1 LEU 127 1HD1 LEU 127 9.264 -14.919 -24.623 946 2HD1 LEU 127 2HD1 LEU 127 7.592 -14.479 -24.277 947 3HD1 LEU 127 3HD1 LEU 127 8.860 -14.103 -23.113 948 1HD2 LEU 127 1HD2 LEU 127 10.967 -13.015 -24.616 949 2HD2 LEU 127 2HD2 LEU 127 10.198 -12.017 -23.382 950 3HD2 LEU 127 3HD2 LEU 127 10.423 -11.385 -25.013 951 H GLU 128 H GLU 128 5.555 -11.980 -28.504 952 HA GLU 128 HA GLU 128 7.113 -12.893 -30.884 953 1HB GLU 128 2HB GLU 128 4.728 -13.014 -31.897 954 2HB GLU 128 1HB GLU 128 5.182 -14.244 -30.717 955 1HG GLU 128 2HG GLU 128 3.981 -13.150 -28.968 956 2HG GLU 128 1HG GLU 128 3.783 -11.682 -29.927 957 H HIS 129 H HIS 129 7.055 -11.598 -32.790 958 HA HIS 129 HA HIS 129 7.176 -8.798 -32.443 959 1HB HIS 129 2HB HIS 129 7.085 -8.662 -34.905 960 2HB HIS 129 1HB HIS 129 8.143 -9.976 -34.389 961 HD2 HIS 129 HD2 HIS 129 5.409 -9.557 -36.898 962 HE1 HIS 129 HE1 HIS 129 5.059 -13.579 -35.657 963 HE2 HIS 129 HE2 HIS 129 4.348 -11.886 -37.406 964 H HIS 130 H HIS 130 5.365 -7.914 -31.415 965 HA HIS 130 HA HIS 130 2.753 -8.240 -32.833 966 1HB HIS 130 2HB HIS 130 3.411 -8.483 -30.102 967 2HB HIS 130 1HB HIS 130 2.550 -6.950 -30.245 968 HD2 HIS 130 HD2 HIS 130 0.352 -7.857 -32.562 969 HE1 HIS 130 HE1 HIS 130 -0.689 -10.900 -29.824 970 HE2 HIS 130 HE2 HIS 130 -1.447 -9.619 -31.878 971 H HIS 131 H HIS 131 1.501 -6.319 -33.223 972 HA HIS 131 HA HIS 131 1.431 -4.136 -34.138 973 1HB HIS 131 2HB HIS 131 2.001 -4.061 -31.254 974 2HB HIS 131 1HB HIS 131 2.454 -2.581 -32.101 975 HD2 HIS 131 HD2 HIS 131 -0.770 -4.773 -32.897 976 HE1 HIS 131 HE1 HIS 131 -1.986 -0.872 -31.827 977 HE2 HIS 131 HE2 HIS 131 -2.785 -3.137 -32.647 978 H HIS 132 H HIS 132 3.124 -4.484 -35.749 979 HA HIS 132 HA HIS 132 5.866 -3.671 -35.014 980 1HB HIS 132 2HB HIS 132 5.702 -3.963 -37.804 981 2HB HIS 132 1HB HIS 132 6.316 -5.152 -36.655 982 HD2 HIS 132 HD2 HIS 132 2.561 -4.194 -37.656 983 HE1 HIS 132 HE1 HIS 132 2.984 -8.397 -37.609 984 HE2 HIS 132 HE2 HIS 132 1.360 -6.486 -37.991 985 H HIS 133 H HIS 133 6.932 -2.074 -36.648 986 HA HIS 133 HA HIS 133 5.407 0.401 -36.546 987 1HB HIS 133 2HB HIS 133 8.162 -0.409 -37.104 988 2HB HIS 133 1HB HIS 133 7.607 0.871 -38.183 989 HD2 HIS 133 HD2 HIS 133 8.653 0.418 -34.476 990 HE1 HIS 133 HE1 HIS 133 7.178 4.355 -34.872 991 HE2 HIS 133 HE2 HIS 133 8.394 2.749 -33.333 992 H HIS 134 HN HIS 134 7.214 -0.518 -39.435 993 HA HIS 134 HA HIS 134 5.413 0.606 -41.269 994 1HB HIS 134 2HB HIS 134 6.419 -1.253 -42.848 995 2HB HIS 134 1HB HIS 134 7.461 0.027 -42.224 996 HD2 HIS 134 HD2 HIS 134 9.691 -0.984 -40.953 997 HE1 HIS 134 HE1 HIS 134 8.172 -4.809 -40.007 998 HE2 HIS 134 HE2 HIS 134 10.215 -3.310 -39.897 Start of MODEL 4 1 1H MET 1 1H MET 1 12.586 -8.957 13.338 2 2H MET 1 2H MET 1 11.647 -8.224 14.550 3 3H MET 1 3H MET 1 11.321 -7.909 12.913 4 HA MET 1 HA MET 1 9.751 -9.471 13.127 5 1HB MET 1 2HB MET 1 12.114 -10.528 12.138 6 2HB MET 1 1HB MET 1 11.642 -11.698 13.370 7 1HG MET 1 2HG MET 1 9.255 -11.428 12.260 8 2HG MET 1 1HG MET 1 10.200 -10.895 10.869 9 1HE MET 1 1HE MET 1 12.260 -13.741 9.732 10 2HE MET 1 2HE MET 1 12.906 -12.658 10.961 11 3HE MET 1 3HE MET 1 11.849 -12.021 9.705 12 H ALA 2 H ALA 2 10.160 -12.149 14.362 13 HA ALA 2 HA ALA 2 9.123 -11.583 16.963 14 1HB ALA 2 1HB ALA 2 8.545 -13.728 16.418 15 2HB ALA 2 2HB ALA 2 10.057 -14.123 17.236 16 3HB ALA 2 3HB ALA 2 10.013 -13.990 15.478 17 H TYR 3 H TYR 3 12.085 -13.500 16.533 18 HA TYR 3 HA TYR 3 13.489 -11.660 18.409 19 1HB TYR 3 2HB TYR 3 13.584 -14.671 18.709 20 2HB TYR 3 1HB TYR 3 14.201 -13.454 19.826 21 HD1 TYR 3 HD1 TYR 3 11.707 -15.757 19.549 22 HD2 TYR 3 HD2 TYR 3 12.173 -11.545 20.251 23 HE1 TYR 3 HE1 TYR 3 9.515 -15.708 20.708 24 HE2 TYR 3 HE2 TYR 3 9.981 -11.496 21.411 25 HH TYR 3 HH TYR 3 8.482 -13.039 22.572 26 H SER 4 H SER 4 15.752 -11.610 18.107 27 HA SER 4 HA SER 4 16.672 -12.437 15.473 28 1HB SER 4 2HB SER 4 17.666 -10.440 16.211 29 2HB SER 4 1HB SER 4 17.925 -11.059 17.839 30 HG SER 4 HG SER 4 19.352 -12.641 16.673 31 H GLU 5 H GLU 5 17.246 -14.519 15.064 32 HA GLU 5 HA GLU 5 17.727 -16.476 17.085 33 1HB GLU 5 2HB GLU 5 17.522 -16.428 14.254 34 2HB GLU 5 1HB GLU 5 19.065 -17.192 14.637 35 1HG GLU 5 2HG GLU 5 17.979 -18.796 16.094 36 2HG GLU 5 1HG GLU 5 16.429 -17.971 15.915 37 H LYS 6 H LYS 6 20.187 -15.474 14.685 38 HA LYS 6 HA LYS 6 22.183 -15.599 16.911 39 1HB LYS 6 2HB LYS 6 23.784 -15.971 14.844 40 2HB LYS 6 1HB LYS 6 22.861 -17.322 15.501 41 1HG LYS 6 2HG LYS 6 21.070 -16.849 13.813 42 2HG LYS 6 1HG LYS 6 22.119 -15.622 13.104 43 1HD LYS 6 2HD LYS 6 23.488 -17.165 12.139 44 2HD LYS 6 1HD LYS 6 23.387 -18.260 13.517 45 1HE LYS 6 2HE LYS 6 22.259 -18.919 11.223 46 2HE LYS 6 1HE LYS 6 21.440 -19.273 12.745 47 1HZ LYS 6 1HZ LYS 6 20.081 -18.136 10.969 48 2HZ LYS 6 2HZ LYS 6 21.008 -16.744 11.271 49 3HZ LYS 6 3HZ LYS 6 20.054 -17.418 12.505 50 H VAL 7 H VAL 7 21.633 -14.057 13.718 51 HA VAL 7 HA VAL 7 22.582 -11.504 14.890 52 HB VAL 7 HB VAL 7 24.564 -12.673 13.873 53 1HG1 VAL 7 1HG1 VAL 7 24.641 -13.215 11.600 54 2HG1 VAL 7 2HG1 VAL 7 23.325 -12.115 11.191 55 3HG1 VAL 7 3HG1 VAL 7 22.979 -13.637 12.014 56 1HG2 VAL 7 1HG2 VAL 7 23.906 -10.305 12.147 57 2HG2 VAL 7 2HG2 VAL 7 25.416 -10.697 12.972 58 3HG2 VAL 7 3HG2 VAL 7 24.041 -10.083 13.892 59 H ILE 8 H ILE 8 21.946 -9.646 13.592 60 HA ILE 8 HA ILE 8 19.490 -10.186 12.037 61 HB ILE 8 HB ILE 8 19.506 -7.568 12.010 62 1HG1 ILE 8 2HG1 ILE 8 21.329 -8.039 14.376 63 2HG1 ILE 8 1HG1 ILE 8 21.960 -7.598 12.788 64 1HG2 ILE 8 1HG2 ILE 8 19.009 -9.430 14.307 65 2HG2 ILE 8 2HG2 ILE 8 17.853 -8.502 13.352 66 3HG2 ILE 8 3HG2 ILE 8 18.840 -7.695 14.571 67 1HD1 ILE 8 1HD1 ILE 8 20.787 -5.520 12.791 68 2HD1 ILE 8 2HD1 ILE 8 21.516 -5.657 14.391 69 3HD1 ILE 8 3HD1 ILE 8 19.799 -5.998 14.171 70 H ASP 9 H ASP 9 20.335 -11.003 10.064 71 HA ASP 9 HA ASP 9 21.458 -8.919 8.297 72 1HB ASP 9 2HB ASP 9 23.185 -10.702 9.500 73 2HB ASP 9 1HB ASP 9 22.837 -11.496 7.965 74 H HIS 10 H HIS 10 18.943 -9.655 7.998 75 HA HIS 10 HA HIS 10 18.821 -11.940 6.104 76 1HB HIS 10 2HB HIS 10 16.565 -10.238 7.206 77 2HB HIS 10 1HB HIS 10 16.402 -11.754 6.319 78 HD2 HIS 10 HD2 HIS 10 16.169 -13.897 8.031 79 HE1 HIS 10 HE1 HIS 10 18.186 -12.252 11.359 80 HE2 HIS 10 HE2 HIS 10 16.927 -14.279 10.498 81 H TYR 11 H TYR 11 16.302 -10.118 5.243 82 HA TYR 11 HA TYR 11 17.716 -8.201 3.503 83 1HB TYR 11 2HB TYR 11 16.072 -10.496 2.389 84 2HB TYR 11 1HB TYR 11 16.684 -9.138 1.444 85 HD1 TYR 11 HD1 TYR 11 17.567 -12.226 3.231 86 HD2 TYR 11 HD2 TYR 11 19.087 -8.867 1.028 87 HE1 TYR 11 HE1 TYR 11 19.746 -13.381 2.973 88 HE2 TYR 11 HE2 TYR 11 21.266 -10.023 0.768 89 HH TYR 11 HH TYR 11 21.711 -13.224 1.207 90 H GLU 12 H GLU 12 15.713 -7.423 1.851 91 HA GLU 12 HA GLU 12 13.193 -7.214 3.356 92 1HB GLU 12 2HB GLU 12 15.188 -5.255 3.714 93 2HB GLU 12 1HB GLU 12 14.006 -4.533 2.620 94 1HG GLU 12 2HG GLU 12 12.193 -5.183 4.199 95 2HG GLU 12 1HG GLU 12 13.415 -5.800 5.311 96 H ASN 13 H ASN 13 14.703 -5.150 0.861 97 HA ASN 13 HA ASN 13 12.325 -5.418 -0.818 98 1HB ASN 13 2HB ASN 13 14.359 -3.528 -0.556 99 2HB ASN 13 1HB ASN 13 14.669 -4.272 -2.125 100 1HD2 ASN 13 1HD2 ASN 13 13.826 -2.658 -3.523 101 2HD2 ASN 13 2HD2 ASN 13 12.213 -2.133 -3.483 102 HA PRO 14 HA PRO 14 15.662 -7.785 -3.488 103 1HB PRO 14 2HB PRO 14 17.451 -8.852 -1.407 104 2HB PRO 14 1HB PRO 14 17.857 -8.018 -2.917 105 1HG PRO 14 2HG PRO 14 18.173 -6.889 -0.491 106 2HG PRO 14 1HG PRO 14 17.799 -5.956 -1.949 107 1HD PRO 14 2HD PRO 14 15.985 -6.744 0.300 108 2HD PRO 14 1HD PRO 14 15.996 -5.257 -0.676 109 H ARG 15 H ARG 15 13.934 -9.276 -3.720 110 HA ARG 15 HA ARG 15 14.025 -11.606 -1.842 111 1HB ARG 15 2HB ARG 15 11.620 -10.458 -3.292 112 2HB ARG 15 1HB ARG 15 11.607 -11.907 -2.286 113 1HG ARG 15 2HG ARG 15 12.739 -9.437 -1.065 114 2HG ARG 15 1HG ARG 15 10.992 -9.479 -1.307 115 1HD ARG 15 2HD ARG 15 12.654 -11.517 0.204 116 2HD ARG 15 1HD ARG 15 11.494 -10.381 0.896 117 HE ARG 15 HE ARG 15 9.990 -11.810 -0.934 118 1HH1 ARG 15 1HH2 ARG 15 12.106 -12.562 1.683 119 2HH1 ARG 15 2HH2 ARG 15 11.279 -14.023 2.106 120 1HH2 ARG 15 2HH1 ARG 15 8.896 -13.711 -0.394 121 2HH2 ARG 15 1HH1 ARG 15 9.461 -14.674 0.930 122 H ASN 16 H ASN 16 12.568 -10.899 -5.038 123 HA ASN 16 HA ASN 16 13.819 -13.435 -6.009 124 1HB ASN 16 2HB ASN 16 11.197 -12.990 -5.954 125 2HB ASN 16 1HB ASN 16 11.546 -12.132 -7.454 126 1HD2 ASN 16 1HD2 ASN 16 13.255 -15.038 -6.255 127 2HD2 ASN 16 2HD2 ASN 16 12.789 -16.038 -7.544 128 H VAL 17 H VAL 17 15.509 -13.077 -7.354 129 HA VAL 17 HA VAL 17 16.048 -10.471 -8.489 130 HB VAL 17 HB VAL 17 17.914 -11.635 -9.648 131 1HG1 VAL 17 1HG1 VAL 17 17.951 -10.945 -7.175 132 2HG1 VAL 17 2HG1 VAL 17 19.146 -12.143 -7.675 133 3HG1 VAL 17 3HG1 VAL 17 17.695 -12.650 -6.810 134 1HG2 VAL 17 1HG2 VAL 17 17.099 -14.175 -8.267 135 2HG2 VAL 17 2HG2 VAL 17 18.136 -13.959 -9.677 136 3HG2 VAL 17 3HG2 VAL 17 16.388 -13.782 -9.833 137 H GLY 18 H GLY 18 13.842 -12.802 -9.351 138 1HA GLY 18 2HA GLY 18 13.991 -12.033 -12.239 139 2HA GLY 18 1HA GLY 18 13.307 -13.556 -11.669 140 H SER 19 H SER 19 12.851 -10.098 -10.842 141 HA SER 19 HA SER 19 10.118 -10.061 -11.756 142 1HB SER 19 2HB SER 19 10.551 -11.201 -9.174 143 2HB SER 19 1HB SER 19 9.786 -9.633 -8.942 144 HG SER 19 HG SER 19 8.016 -10.504 -9.636 145 H LEU 20 H LEU 20 9.034 -7.965 -11.013 146 HA LEU 20 HA LEU 20 9.133 -5.647 -10.615 147 1HB LEU 20 2HB LEU 20 10.877 -6.722 -8.751 148 2HB LEU 20 1HB LEU 20 11.897 -5.577 -9.622 149 HG LEU 20 HG LEU 20 9.762 -4.005 -9.323 150 1HD1 LEU 20 1HD1 LEU 20 8.444 -5.808 -8.217 151 2HD1 LEU 20 2HD1 LEU 20 8.667 -4.406 -7.169 152 3HD1 LEU 20 3HD1 LEU 20 9.640 -5.857 -6.922 153 1HD2 LEU 20 1HD2 LEU 20 11.839 -4.631 -7.203 154 2HD2 LEU 20 2HD2 LEU 20 10.820 -3.192 -7.190 155 3HD2 LEU 20 3HD2 LEU 20 11.976 -3.441 -8.498 156 H ASP 21 H ASP 21 11.538 -7.397 -12.340 157 HA ASP 21 HA ASP 21 12.975 -5.170 -13.474 158 1HB ASP 21 2HB ASP 21 12.652 -8.077 -14.153 159 2HB ASP 21 1HB ASP 21 13.392 -6.997 -15.336 160 H LYS 22 H LYS 22 12.648 -4.145 -15.498 161 HA LYS 22 HA LYS 22 9.879 -3.919 -16.336 162 1HB LYS 22 2HB LYS 22 11.952 -2.218 -16.460 163 2HB LYS 22 1HB LYS 22 12.073 -2.904 -18.080 164 1HG LYS 22 2HG LYS 22 9.418 -2.478 -18.005 165 2HG LYS 22 1HG LYS 22 9.935 -1.204 -16.900 166 1HD LYS 22 2HD LYS 22 11.409 -0.260 -18.564 167 2HD LYS 22 1HD LYS 22 11.139 -1.625 -19.648 168 1HE LYS 22 2HE LYS 22 8.591 -0.883 -19.342 169 2HE LYS 22 1HE LYS 22 9.346 0.677 -19.016 170 1HZ LYS 22 1HZ LYS 22 10.043 -0.959 -21.381 171 2HZ LYS 22 2HZ LYS 22 10.382 0.682 -21.104 172 3HZ LYS 22 3HZ LYS 22 8.787 0.180 -21.407 173 H LYS 23 H LYS 23 11.594 -6.510 -16.700 174 HA LYS 23 HA LYS 23 10.683 -6.976 -19.506 175 1HB LYS 23 2HB LYS 23 13.321 -7.827 -18.275 176 2HB LYS 23 1HB LYS 23 12.719 -8.403 -19.829 177 1HG LYS 23 2HG LYS 23 13.753 -6.605 -20.731 178 2HG LYS 23 1HG LYS 23 12.446 -5.649 -20.031 179 1HD LYS 23 2HD LYS 23 13.726 -5.163 -18.068 180 2HD LYS 23 1HD LYS 23 14.947 -6.365 -18.486 181 1HE LYS 23 2HE LYS 23 14.907 -4.740 -20.724 182 2HE LYS 23 1HE LYS 23 14.668 -3.593 -19.406 183 1HZ LYS 23 1HZ LYS 23 17.004 -5.085 -20.120 184 2HZ LYS 23 2HZ LYS 23 16.604 -5.265 -18.480 185 3HZ LYS 23 3HZ LYS 23 16.857 -3.716 -19.130 186 H ASP 24 H ASP 24 9.568 -7.651 -16.790 187 HA ASP 24 HA ASP 24 9.902 -10.571 -16.613 188 1HB ASP 24 2HB ASP 24 8.644 -8.442 -14.984 189 2HB ASP 24 1HB ASP 24 7.816 -10.000 -14.952 190 H SER 25 H SER 25 8.072 -12.044 -16.872 191 HA SER 25 HA SER 25 6.346 -11.238 -19.115 192 1HB SER 25 2HB SER 25 6.629 -13.872 -17.642 193 2HB SER 25 1HB SER 25 5.620 -13.623 -19.064 194 HG SER 25 HG SER 25 8.433 -13.480 -18.815 195 H ASN 26 H ASN 26 6.150 -11.002 -15.796 196 HA ASN 26 HA ASN 26 3.167 -11.222 -15.863 197 1HB ASN 26 2HB ASN 26 4.524 -11.091 -13.234 198 2HB ASN 26 1HB ASN 26 3.188 -12.114 -13.762 199 1HD2 ASN 26 1HD2 ASN 26 3.726 -14.129 -14.903 200 2HD2 ASN 26 2HD2 ASN 26 5.292 -14.781 -14.830 201 H VAL 27 H VAL 27 5.623 -9.014 -15.976 202 HA VAL 27 HA VAL 27 4.159 -6.998 -14.336 203 HB VAL 27 HB VAL 27 6.966 -7.029 -15.481 204 1HG1 VAL 27 1HG1 VAL 27 5.517 -4.839 -13.960 205 2HG1 VAL 27 2HG1 VAL 27 6.027 -4.763 -15.646 206 3HG1 VAL 27 3HG1 VAL 27 7.235 -4.832 -14.363 207 1HG2 VAL 27 1HG2 VAL 27 6.918 -8.305 -13.490 208 2HG2 VAL 27 2HG2 VAL 27 5.749 -7.229 -12.725 209 3HG2 VAL 27 3HG2 VAL 27 7.418 -6.703 -12.948 210 H GLY 28 H GLY 28 3.011 -5.424 -15.364 211 1HA GLY 28 2HA GLY 28 3.376 -5.181 -18.323 212 2HA GLY 28 1HA GLY 28 1.841 -4.913 -17.497 213 H THR 29 H THR 29 3.468 -3.083 -19.222 214 HA THR 29 HA THR 29 3.651 -0.830 -17.266 215 HB THR 29 HB THR 29 5.489 -1.298 -19.635 216 HG1 THR 29 HG1 THR 29 6.911 -1.247 -17.541 217 1HG2 THR 29 1HG2 THR 29 5.800 0.740 -17.434 218 2HG2 THR 29 2HG2 THR 29 4.879 1.100 -18.894 219 3HG2 THR 29 3HG2 THR 29 6.591 0.697 -19.009 220 H GLY 30 H GLY 30 2.427 0.908 -17.877 221 1HA GLY 30 2HA GLY 30 1.575 1.049 -20.741 222 2HA GLY 30 1HA GLY 30 0.438 1.340 -19.424 223 H MET 31 H MET 31 1.712 3.073 -21.666 224 HA MET 31 HA MET 31 2.244 5.394 -19.875 225 1HB MET 31 2HB MET 31 4.179 4.104 -21.529 226 2HB MET 31 1HB MET 31 3.808 5.664 -22.265 227 1HG MET 31 2HG MET 31 4.616 5.213 -19.376 228 2HG MET 31 1HG MET 31 5.634 5.905 -20.640 229 1HE MET 31 1HE MET 31 5.238 7.642 -21.945 230 2HE MET 31 2HE MET 31 5.693 8.844 -20.740 231 3HE MET 31 3HE MET 31 4.222 9.067 -21.682 232 H VAL 32 H VAL 32 0.780 6.949 -20.384 233 HA VAL 32 HA VAL 32 0.159 7.460 -23.234 234 HB VAL 32 HB VAL 32 -2.297 7.489 -22.728 235 1HG1 VAL 32 1HG1 VAL 32 -1.029 4.804 -22.128 236 2HG1 VAL 32 2HG1 VAL 32 -1.075 5.512 -23.743 237 3HG1 VAL 32 3HG1 VAL 32 -2.578 5.106 -22.914 238 1HG2 VAL 32 1HG2 VAL 32 -1.576 5.943 -20.234 239 2HG2 VAL 32 2HG2 VAL 32 -3.139 6.625 -20.684 240 3HG2 VAL 32 3HG2 VAL 32 -1.819 7.689 -20.196 241 H GLY 33 H GLY 33 -0.499 9.614 -23.602 242 1HA GLY 33 2HA GLY 33 -0.788 11.372 -21.218 243 2HA GLY 33 1HA GLY 33 0.451 11.768 -22.411 244 H ALA 34 H ALA 34 -0.921 13.804 -22.556 245 HA ALA 34 HA ALA 34 -3.161 13.359 -24.488 246 1HB ALA 34 1HB ALA 34 -4.495 14.539 -23.111 247 2HB ALA 34 2HB ALA 34 -3.412 15.922 -23.264 248 3HB ALA 34 3HB ALA 34 -3.161 14.743 -21.976 249 HA PRO 35 HA PRO 35 0.353 15.504 -26.664 250 1HB PRO 35 2HB PRO 35 -1.342 14.495 -28.903 251 2HB PRO 35 1HB PRO 35 0.418 14.422 -28.698 252 1HG PRO 35 2HG PRO 35 -1.141 12.278 -28.344 253 2HG PRO 35 1HG PRO 35 0.326 12.550 -27.390 254 1HD PRO 35 2HD PRO 35 -2.522 12.798 -26.564 255 2HD PRO 35 1HD PRO 35 -1.089 12.423 -25.582 256 H ALA 36 H ALA 36 -2.833 16.182 -26.089 257 HA ALA 36 HA ALA 36 -3.102 18.285 -28.151 258 1HB ALA 36 1HB ALA 36 -5.207 18.543 -26.322 259 2HB ALA 36 2HB ALA 36 -4.906 16.808 -26.407 260 3HB ALA 36 3HB ALA 36 -5.269 17.712 -27.876 261 H CYS 37 H CYS 37 -1.616 17.986 -25.190 262 HA CYS 37 HA CYS 37 -1.551 20.926 -24.870 263 1HB CYS 37 2HB CYS 37 -3.097 19.199 -23.166 264 2HB CYS 37 1HB CYS 37 -1.761 19.878 -22.237 265 HG CYS 37 HG CYS 37 -3.211 21.993 -23.897 266 H GLY 38 H GLY 38 -0.519 17.928 -23.193 267 1HA GLY 38 2HA GLY 38 2.040 17.556 -23.669 268 2HA GLY 38 1HA GLY 38 2.185 19.134 -22.894 269 H ASP 39 H ASP 39 0.088 16.351 -22.106 270 HA ASP 39 HA ASP 39 1.227 16.458 -19.344 271 1HB ASP 39 2HB ASP 39 -1.495 15.934 -20.435 272 2HB ASP 39 1HB ASP 39 -1.015 15.008 -19.013 273 H VAL 40 H VAL 40 2.419 14.730 -18.708 274 HA VAL 40 HA VAL 40 2.269 12.257 -20.377 275 HB VAL 40 HB VAL 40 4.489 13.209 -20.374 276 1HG1 VAL 40 1HG1 VAL 40 5.325 14.351 -18.616 277 2HG1 VAL 40 2HG1 VAL 40 5.081 12.980 -17.533 278 3HG1 VAL 40 3HG1 VAL 40 3.767 14.121 -17.822 279 1HG2 VAL 40 1HG2 VAL 40 4.495 10.982 -18.318 280 2HG2 VAL 40 2HG2 VAL 40 5.754 11.358 -19.496 281 3HG2 VAL 40 3HG2 VAL 40 4.207 10.706 -20.036 282 H MET 41 H MET 41 1.020 10.722 -19.417 283 HA MET 41 HA MET 41 1.195 10.462 -16.440 284 1HB MET 41 2HB MET 41 -1.041 11.155 -17.000 285 2HB MET 41 1HB MET 41 -1.140 9.974 -18.307 286 1HG MET 41 2HG MET 41 -0.457 8.732 -15.752 287 2HG MET 41 1HG MET 41 -2.003 9.579 -15.691 288 1HE MET 41 1HE MET 41 -3.640 7.470 -15.498 289 2HE MET 41 2HE MET 41 -2.053 6.849 -15.053 290 3HE MET 41 3HE MET 41 -3.080 5.921 -16.143 291 H GLN 42 H GLN 42 2.253 8.630 -15.875 292 HA GLN 42 HA GLN 42 2.281 6.362 -17.808 293 1HB GLN 42 2HB GLN 42 4.507 6.885 -17.261 294 2HB GLN 42 1HB GLN 42 4.112 7.217 -15.574 295 1HG GLN 42 2HG GLN 42 3.957 4.947 -15.025 296 2HG GLN 42 1HG GLN 42 3.681 4.462 -16.698 297 1HE2 GLN 42 1HE2 GLN 42 5.533 4.124 -18.055 298 2HE2 GLN 42 2HE2 GLN 42 7.124 4.195 -17.469 299 H LEU 43 H LEU 43 1.897 4.195 -16.974 300 HA LEU 43 HA LEU 43 0.814 3.922 -14.256 301 1HB LEU 43 2HB LEU 43 -1.095 4.785 -15.689 302 2HB LEU 43 1HB LEU 43 -0.974 3.291 -16.618 303 HG LEU 43 HG LEU 43 -0.994 2.564 -13.866 304 1HD1 LEU 43 1HD1 LEU 43 -2.000 4.869 -13.570 305 2HD1 LEU 43 2HD1 LEU 43 -3.039 3.543 -13.049 306 3HD1 LEU 43 3HD1 LEU 43 -3.337 4.341 -14.593 307 1HD2 LEU 43 1HD2 LEU 43 -3.029 2.359 -16.106 308 2HD2 LEU 43 2HD2 LEU 43 -3.190 1.523 -14.560 309 3HD2 LEU 43 3HD2 LEU 43 -1.841 1.144 -15.631 310 H GLN 44 H GLN 44 1.672 2.027 -13.578 311 HA GLN 44 HA GLN 44 1.931 -0.184 -15.580 312 1HB GLN 44 2HB GLN 44 3.722 -0.131 -13.197 313 2HB GLN 44 1HB GLN 44 4.054 -0.681 -14.840 314 1HG GLN 44 2HG GLN 44 3.992 1.732 -15.573 315 2HG GLN 44 1HG GLN 44 3.896 2.184 -13.871 316 1HE2 GLN 44 1HE2 GLN 44 5.700 0.556 -12.607 317 2HE2 GLN 44 2HE2 GLN 44 7.256 0.742 -13.256 318 H ILE 45 H ILE 45 1.514 -2.320 -14.756 319 HA ILE 45 HA ILE 45 0.327 -2.420 -12.021 320 HB ILE 45 HB ILE 45 -1.353 -4.094 -13.215 321 1HG1 ILE 45 2HG1 ILE 45 -1.167 -2.112 -15.436 322 2HG1 ILE 45 1HG1 ILE 45 0.034 -3.405 -15.416 323 1HG2 ILE 45 1HG2 ILE 45 -1.479 -1.072 -13.173 324 2HG2 ILE 45 2HG2 ILE 45 -2.177 -2.205 -12.015 325 3HG2 ILE 45 3HG2 ILE 45 -2.862 -2.066 -13.634 326 1HD1 ILE 45 1HD1 ILE 45 -2.844 -4.114 -14.981 327 2HD1 ILE 45 2HD1 ILE 45 -1.554 -5.073 -15.705 328 3HD1 ILE 45 3HD1 ILE 45 -2.298 -3.763 -16.620 329 H LYS 46 H LYS 46 0.828 -4.293 -10.914 330 HA LYS 46 HA LYS 46 2.497 -6.280 -12.393 331 1HB LYS 46 2HB LYS 46 3.493 -5.038 -10.410 332 2HB LYS 46 1HB LYS 46 2.333 -5.894 -9.395 333 1HG LYS 46 2HG LYS 46 3.580 -7.809 -11.116 334 2HG LYS 46 1HG LYS 46 4.848 -6.837 -10.368 335 1HD LYS 46 2HD LYS 46 3.849 -7.260 -8.143 336 2HD LYS 46 1HD LYS 46 2.608 -8.260 -8.899 337 1HE LYS 46 2HE LYS 46 4.366 -9.714 -8.059 338 2HE LYS 46 1HE LYS 46 4.427 -9.720 -9.821 339 1HZ LYS 46 1HZ LYS 46 6.442 -8.993 -8.023 340 2HZ LYS 46 2HZ LYS 46 5.998 -7.601 -8.890 341 3HZ LYS 46 3HZ LYS 46 6.499 -8.997 -9.718 342 H VAL 47 H VAL 47 1.658 -8.296 -12.666 343 HA VAL 47 HA VAL 47 -0.847 -8.959 -11.194 344 HB VAL 47 HB VAL 47 0.365 -10.284 -13.639 345 1HG1 VAL 47 1HG1 VAL 47 -2.291 -10.857 -13.661 346 2HG1 VAL 47 2HG1 VAL 47 -2.000 -10.794 -11.922 347 3HG1 VAL 47 3HG1 VAL 47 -1.079 -11.911 -12.930 348 1HG2 VAL 47 1HG2 VAL 47 -0.307 -8.287 -14.560 349 2HG2 VAL 47 2HG2 VAL 47 -1.443 -7.949 -13.254 350 3HG2 VAL 47 3HG2 VAL 47 -1.880 -9.083 -14.531 351 H ASP 48 H ASP 48 -1.043 -11.013 -10.146 352 HA ASP 48 HA ASP 48 1.562 -12.102 -9.239 353 1HB ASP 48 2HB ASP 48 -0.035 -11.570 -7.484 354 2HB ASP 48 1HB ASP 48 -1.275 -12.549 -8.268 355 H ASP 49 H ASP 49 -1.121 -14.239 -9.089 356 HA ASP 49 HA ASP 49 -0.250 -15.662 -11.555 357 1HB ASP 49 2HB ASP 49 -0.447 -17.820 -10.127 358 2HB ASP 49 1HB ASP 49 1.014 -16.847 -9.949 359 H ASN 50 H ASN 50 -2.716 -14.298 -9.925 360 HA ASN 50 HA ASN 50 -4.689 -16.233 -11.068 361 1HB ASN 50 2HB ASN 50 -4.698 -14.846 -8.387 362 2HB ASN 50 1HB ASN 50 -6.198 -15.396 -9.134 363 1HD2 ASN 50 1HD2 ASN 50 -4.273 -16.400 -6.787 364 2HD2 ASN 50 2HD2 ASN 50 -4.237 -18.076 -7.060 365 H GLY 51 H GLY 51 -3.408 -13.489 -11.810 366 1HA GLY 51 2HA GLY 51 -4.246 -11.761 -13.197 367 2HA GLY 51 1HA GLY 51 -5.877 -12.373 -12.915 368 H ILE 52 H ILE 52 -4.184 -12.015 -10.013 369 HA ILE 52 HA ILE 52 -5.788 -9.610 -9.365 370 HB ILE 52 HB ILE 52 -4.016 -11.166 -7.475 371 1HG1 ILE 52 2HG1 ILE 52 -5.489 -12.785 -8.572 372 2HG1 ILE 52 1HG1 ILE 52 -6.058 -12.495 -6.928 373 1HG2 ILE 52 1HG2 ILE 52 -4.789 -9.167 -6.474 374 2HG2 ILE 52 2HG2 ILE 52 -5.926 -10.394 -5.915 375 3HG2 ILE 52 3HG2 ILE 52 -6.379 -9.304 -7.226 376 1HD1 ILE 52 1HD1 ILE 52 -7.185 -11.353 -9.494 377 2HD1 ILE 52 2HD1 ILE 52 -7.629 -10.750 -7.898 378 3HD1 ILE 52 3HD1 ILE 52 -7.995 -12.415 -8.344 379 H ILE 53 H ILE 53 -4.871 -7.609 -9.112 380 HA ILE 53 HA ILE 53 -2.032 -7.297 -9.763 381 HB ILE 53 HB ILE 53 -4.311 -5.403 -9.221 382 1HG1 ILE 53 2HG1 ILE 53 -2.368 -5.703 -11.536 383 2HG1 ILE 53 1HG1 ILE 53 -3.981 -6.417 -11.483 384 1HG2 ILE 53 1HG2 ILE 53 -2.726 -4.082 -8.206 385 2HG2 ILE 53 2HG2 ILE 53 -2.329 -3.705 -9.883 386 3HG2 ILE 53 3HG2 ILE 53 -1.382 -4.904 -9.001 387 1HD1 ILE 53 1HD1 ILE 53 -5.048 -4.355 -11.654 388 2HD1 ILE 53 2HD1 ILE 53 -3.615 -4.073 -12.639 389 3HD1 ILE 53 3HD1 ILE 53 -3.675 -3.474 -10.982 390 H GLU 54 H GLU 54 -0.895 -8.185 -7.991 391 HA GLU 54 HA GLU 54 -1.469 -7.746 -5.252 392 1HB GLU 54 2HB GLU 54 0.640 -8.919 -6.783 393 2HB GLU 54 1HB GLU 54 1.374 -7.826 -5.610 394 1HG GLU 54 2HG GLU 54 -0.228 -8.931 -3.892 395 2HG GLU 54 1HG GLU 54 -0.412 -10.202 -5.102 396 H ASP 55 H ASP 55 0.851 -5.978 -7.337 397 HA ASP 55 HA ASP 55 0.429 -3.606 -5.571 398 1HB ASP 55 2HB ASP 55 3.108 -3.852 -6.789 399 2HB ASP 55 1HB ASP 55 2.655 -3.351 -5.159 400 H ALA 56 H ALA 56 0.217 -1.670 -6.690 401 HA ALA 56 HA ALA 56 0.539 -1.832 -9.663 402 1HB ALA 56 1HB ALA 56 -1.361 -0.326 -9.879 403 2HB ALA 56 2HB ALA 56 -1.476 -0.167 -8.126 404 3HB ALA 56 3HB ALA 56 -1.841 -1.710 -8.896 405 H LYS 57 H LYS 57 1.803 -0.265 -10.574 406 HA LYS 57 HA LYS 57 2.752 1.930 -8.776 407 1HB LYS 57 2HB LYS 57 4.067 0.284 -10.893 408 2HB LYS 57 1HB LYS 57 4.572 1.968 -10.745 409 1HG LYS 57 2HG LYS 57 5.992 0.603 -9.318 410 2HG LYS 57 1HG LYS 57 4.944 1.588 -8.296 411 1HD LYS 57 2HD LYS 57 3.832 -0.220 -7.483 412 2HD LYS 57 1HD LYS 57 3.789 -1.016 -9.057 413 1HE LYS 57 2HE LYS 57 5.221 -2.111 -7.197 414 2HE LYS 57 1HE LYS 57 5.951 -1.926 -8.791 415 1HZ LYS 57 1HZ LYS 57 7.525 -0.677 -7.899 416 2HZ LYS 57 2HZ LYS 57 6.841 -0.887 -6.358 417 3HZ LYS 57 3HZ LYS 57 6.372 0.427 -7.326 418 H PHE 58 H PHE 58 3.163 4.031 -9.896 419 HA PHE 58 HA PHE 58 2.057 4.506 -12.527 420 1HB PHE 58 2HB PHE 58 0.022 5.563 -12.009 421 2HB PHE 58 1HB PHE 58 0.025 4.165 -10.933 422 HD1 PHE 58 HD1 PHE 58 -0.106 7.752 -11.133 423 HD2 PHE 58 HD2 PHE 58 0.942 4.484 -8.550 424 HE1 PHE 58 HE1 PHE 58 -0.239 9.261 -9.169 425 HE2 PHE 58 HE2 PHE 58 0.809 5.993 -6.587 426 HZ PHE 58 HZ PHE 58 0.218 8.381 -6.897 427 H LYS 59 H LYS 59 1.804 7.008 -12.826 428 HA LYS 59 HA LYS 59 3.294 8.706 -10.999 429 1HB LYS 59 2HB LYS 59 4.726 7.283 -13.081 430 2HB LYS 59 1HB LYS 59 4.817 9.025 -13.347 431 1HG LYS 59 2HG LYS 59 5.810 9.416 -11.240 432 2HG LYS 59 1HG LYS 59 5.316 7.842 -10.618 433 1HD LYS 59 2HD LYS 59 7.595 7.517 -11.080 434 2HD LYS 59 1HD LYS 59 6.813 6.884 -12.529 435 1HE LYS 59 2HE LYS 59 8.628 8.325 -13.232 436 2HE LYS 59 1HE LYS 59 7.110 9.147 -13.590 437 1HZ LYS 59 1HZ LYS 59 8.478 10.729 -12.554 438 2HZ LYS 59 2HZ LYS 59 8.965 9.646 -11.338 439 3HZ LYS 59 3HZ LYS 59 7.376 10.246 -11.358 440 H THR 60 H THR 60 2.272 10.639 -11.220 441 HA THR 60 HA THR 60 1.279 11.382 -13.944 442 HB THR 60 HB THR 60 -0.384 12.762 -12.288 443 HG1 THR 60 HG1 THR 60 -0.055 10.230 -11.077 444 1HG2 THR 60 1HG2 THR 60 -0.923 11.250 -14.237 445 2HG2 THR 60 2HG2 THR 60 -2.068 11.150 -12.899 446 3HG2 THR 60 3HG2 THR 60 -0.854 9.889 -13.119 447 H TYR 61 H TYR 61 1.634 13.519 -14.570 448 HA TYR 61 HA TYR 61 2.581 15.509 -12.638 449 1HB TYR 61 2HB TYR 61 4.427 14.101 -14.531 450 2HB TYR 61 1HB TYR 61 4.680 15.821 -14.233 451 HD1 TYR 61 HD1 TYR 61 4.603 16.549 -11.690 452 HD2 TYR 61 HD2 TYR 61 5.380 12.554 -13.066 453 HE1 TYR 61 HE1 TYR 61 5.689 16.014 -9.525 454 HE2 TYR 61 HE2 TYR 61 6.467 12.019 -10.902 455 HH TYR 61 HH TYR 61 7.665 13.445 -9.048 456 H GLY 62 H GLY 62 3.452 17.493 -14.149 457 1HA GLY 62 2HA GLY 62 3.054 18.824 -16.114 458 2HA GLY 62 1HA GLY 62 1.819 17.669 -16.614 459 H CYS 63 H CYS 63 0.046 17.517 -14.654 460 HA CYS 63 HA CYS 63 -0.729 20.351 -14.078 461 1HB CYS 63 2HB CYS 63 -2.560 18.007 -14.677 462 2HB CYS 63 1HB CYS 63 -3.071 19.663 -14.346 463 HG CYS 63 HG CYS 63 -2.612 20.238 -16.705 464 H GLY 64 H GLY 64 -2.031 20.615 -12.098 465 1HA GLY 64 2HA GLY 64 -1.232 18.617 -10.040 466 2HA GLY 64 1HA GLY 64 -1.694 20.287 -9.710 467 H SER 65 H SER 65 -3.725 18.841 -12.012 468 HA SER 65 HA SER 65 -5.785 18.389 -9.892 469 1HB SER 65 2HB SER 65 -5.860 19.618 -12.587 470 2HB SER 65 1HB SER 65 -7.223 18.574 -12.193 471 HG SER 65 HG SER 65 -6.405 20.987 -11.063 472 H ALA 66 H ALA 66 -4.445 17.114 -12.926 473 HA ALA 66 HA ALA 66 -6.133 14.813 -13.097 474 1HB ALA 66 1HB ALA 66 -3.591 14.109 -14.120 475 2HB ALA 66 2HB ALA 66 -3.784 15.834 -14.433 476 3HB ALA 66 3HB ALA 66 -4.986 14.691 -15.031 477 H ILE 67 H ILE 67 -3.444 15.576 -11.043 478 HA ILE 67 HA ILE 67 -2.485 12.991 -10.402 479 HB ILE 67 HB ILE 67 -2.573 15.629 -9.008 480 1HG1 ILE 67 2HG1 ILE 67 -0.187 13.868 -9.012 481 2HG1 ILE 67 1HG1 ILE 67 -0.770 14.357 -10.604 482 1HG2 ILE 67 1HG2 ILE 67 -3.190 14.212 -7.159 483 2HG2 ILE 67 2HG2 ILE 67 -1.463 14.536 -7.007 484 3HG2 ILE 67 3HG2 ILE 67 -2.017 12.984 -7.637 485 1HD1 ILE 67 1HD1 ILE 67 0.923 15.880 -9.185 486 2HD1 ILE 67 2HD1 ILE 67 -0.596 16.476 -8.514 487 3HD1 ILE 67 3HD1 ILE 67 -0.297 16.581 -10.249 488 H ALA 68 H ALA 68 -5.207 14.817 -8.987 489 HA ALA 68 HA ALA 68 -5.977 13.109 -6.937 490 1HB ALA 68 1HB ALA 68 -7.545 14.791 -8.868 491 2HB ALA 68 2HB ALA 68 -7.326 15.003 -7.131 492 3HB ALA 68 3HB ALA 68 -8.404 13.746 -7.737 493 H SER 69 H SER 69 -7.329 12.883 -10.254 494 HA SER 69 HA SER 69 -8.696 10.494 -10.051 495 1HB SER 69 2HB SER 69 -8.876 10.824 -12.270 496 2HB SER 69 1HB SER 69 -7.617 12.052 -12.176 497 HG SER 69 HG SER 69 -7.501 9.639 -13.278 498 H SER 70 H SER 70 -5.191 10.800 -10.709 499 HA SER 70 HA SER 70 -4.534 8.095 -10.954 500 1HB SER 70 2HB SER 70 -3.126 10.540 -10.211 501 2HB SER 70 1HB SER 70 -2.473 9.129 -9.384 502 HG SER 70 HG SER 70 -1.846 9.800 -11.731 503 H SER 71 H SER 71 -4.122 9.864 -7.868 504 HA SER 71 HA SER 71 -3.755 7.807 -6.112 505 1HB SER 71 2HB SER 71 -5.118 10.411 -5.926 506 2HB SER 71 1HB SER 71 -5.637 9.245 -4.712 507 HG SER 71 HG SER 71 -2.928 9.288 -5.142 508 H LEU 72 H LEU 72 -6.867 8.683 -7.588 509 HA LEU 72 HA LEU 72 -8.428 6.775 -6.111 510 1HB LEU 72 2HB LEU 72 -9.396 8.693 -7.383 511 2HB LEU 72 1HB LEU 72 -8.960 7.879 -8.885 512 HG LEU 72 HG LEU 72 -10.279 5.858 -7.859 513 1HD1 LEU 72 1HD1 LEU 72 -10.679 6.700 -5.654 514 2HD1 LEU 72 2HD1 LEU 72 -12.230 6.767 -6.491 515 3HD1 LEU 72 3HD1 LEU 72 -11.279 8.237 -6.278 516 1HD2 LEU 72 1HD2 LEU 72 -11.321 6.604 -9.753 517 2HD2 LEU 72 2HD2 LEU 72 -11.185 8.298 -9.282 518 3HD2 LEU 72 3HD2 LEU 72 -12.468 7.295 -8.604 519 H ILE 73 H ILE 73 -8.159 6.499 -9.628 520 HA ILE 73 HA ILE 73 -8.539 3.841 -9.984 521 HB ILE 73 HB ILE 73 -8.012 5.168 -11.905 522 1HG1 ILE 73 2HG1 ILE 73 -5.622 3.335 -11.643 523 2HG1 ILE 73 1HG1 ILE 73 -7.257 2.697 -11.816 524 1HG2 ILE 73 1HG2 ILE 73 -6.335 6.580 -10.502 525 2HG2 ILE 73 2HG2 ILE 73 -6.001 6.357 -12.219 526 3HG2 ILE 73 3HG2 ILE 73 -5.138 5.394 -11.021 527 1HD1 ILE 73 1HD1 ILE 73 -6.322 2.834 -14.029 528 2HD1 ILE 73 2HD1 ILE 73 -5.770 4.487 -13.753 529 3HD1 ILE 73 3HD1 ILE 73 -7.495 4.144 -13.884 530 H THR 74 H THR 74 -5.362 5.194 -9.044 531 HA THR 74 HA THR 74 -3.881 2.828 -8.906 532 HB THR 74 HB THR 74 -2.727 4.005 -6.893 533 HG1 THR 74 HG1 THR 74 -4.252 5.386 -6.208 534 1HG2 THR 74 1HG2 THR 74 -1.769 4.119 -9.094 535 2HG2 THR 74 2HG2 THR 74 -1.801 5.765 -8.462 536 3HG2 THR 74 3HG2 THR 74 -3.010 5.247 -9.638 537 H GLU 75 H GLU 75 -5.987 4.193 -6.357 538 HA GLU 75 HA GLU 75 -5.586 1.796 -4.697 539 1HB GLU 75 2HB GLU 75 -5.877 4.188 -3.814 540 2HB GLU 75 1HB GLU 75 -7.586 4.010 -4.216 541 1HG GLU 75 2HG GLU 75 -7.288 3.388 -1.891 542 2HG GLU 75 1HG GLU 75 -7.631 1.925 -2.815 543 H TRP 76 H TRP 76 -7.650 2.727 -7.229 544 HA TRP 76 HA TRP 76 -9.902 1.044 -6.317 545 1HB TRP 76 2HB TRP 76 -9.664 3.279 -8.015 546 2HB TRP 76 1HB TRP 76 -10.074 1.932 -9.076 547 HD1 TRP 76 HD1 TRP 76 -11.309 3.536 -5.783 548 HE1 TRP 76 HE1 TRP 76 -13.862 3.208 -5.640 549 HE3 TRP 76 HE3 TRP 76 -12.074 0.737 -9.985 550 HZ2 TRP 76 HZ2 TRP 76 -15.952 1.926 -7.114 551 HZ3 TRP 76 HZ3 TRP 76 -14.353 -0.024 -10.590 552 HH2 TRP 76 HH2 TRP 76 -16.292 0.567 -9.162 553 H VAL 77 H VAL 77 -6.960 0.517 -7.752 554 HA VAL 77 HA VAL 77 -8.004 -1.890 -9.193 555 HB VAL 77 HB VAL 77 -6.093 -1.680 -10.728 556 1HG1 VAL 77 1HG1 VAL 77 -8.214 -0.531 -11.279 557 2HG1 VAL 77 2HG1 VAL 77 -6.824 0.364 -11.894 558 3HG1 VAL 77 3HG1 VAL 77 -7.649 0.909 -10.434 559 1HG2 VAL 77 1HG2 VAL 77 -4.287 -0.537 -9.998 560 2HG2 VAL 77 2HG2 VAL 77 -5.209 0.169 -8.672 561 3HG2 VAL 77 3HG2 VAL 77 -5.198 0.950 -10.254 562 H LYS 78 H LYS 78 -5.652 -0.551 -6.972 563 HA LYS 78 HA LYS 78 -3.865 -2.774 -6.839 564 1HB LYS 78 2HB LYS 78 -3.635 -0.420 -5.778 565 2HB LYS 78 1HB LYS 78 -4.585 -1.082 -4.446 566 1HG LYS 78 2HG LYS 78 -2.903 -2.994 -4.362 567 2HG LYS 78 1HG LYS 78 -1.899 -2.041 -5.456 568 1HD LYS 78 2HD LYS 78 -2.781 -0.334 -3.331 569 2HD LYS 78 1HD LYS 78 -2.113 -1.804 -2.622 570 1HE LYS 78 2HE LYS 78 -0.746 -0.005 -4.643 571 2HE LYS 78 1HE LYS 78 -0.321 -0.179 -2.940 572 1HZ LYS 78 1HZ LYS 78 0.784 -1.595 -4.929 573 2HZ LYS 78 2HZ LYS 78 -0.441 -2.657 -4.421 574 3HZ LYS 78 3HZ LYS 78 0.724 -2.107 -3.313 575 H GLY 79 H GLY 79 -4.501 -4.826 -6.396 576 1HA GLY 79 2HA GLY 79 -5.230 -6.507 -4.831 577 2HA GLY 79 1HA GLY 79 -6.197 -5.283 -4.007 578 H LYS 80 H LYS 80 -6.544 -5.055 -7.364 579 HA LYS 80 HA LYS 80 -9.193 -6.405 -7.171 580 1HB LYS 80 2HB LYS 80 -8.139 -4.420 -9.209 581 2HB LYS 80 1HB LYS 80 -9.774 -5.082 -9.177 582 1HG LYS 80 2HG LYS 80 -8.475 -3.371 -7.038 583 2HG LYS 80 1HG LYS 80 -9.799 -2.899 -8.102 584 1HD LYS 80 2HD LYS 80 -10.997 -5.008 -7.094 585 2HD LYS 80 1HD LYS 80 -9.825 -4.817 -5.789 586 1HE LYS 80 2HE LYS 80 -11.821 -2.751 -6.753 587 2HE LYS 80 1HE LYS 80 -11.817 -3.575 -5.193 588 1HZ LYS 80 1HZ LYS 80 -10.861 -1.299 -5.155 589 2HZ LYS 80 2HZ LYS 80 -9.604 -1.848 -6.156 590 3HZ LYS 80 3HZ LYS 80 -9.798 -2.498 -4.598 591 H SER 81 H SER 81 -9.647 -6.856 -9.895 592 HA SER 81 HA SER 81 -7.514 -8.853 -10.544 593 1HB SER 81 2HB SER 81 -10.424 -9.153 -11.290 594 2HB SER 81 1HB SER 81 -9.169 -10.389 -11.280 595 HG SER 81 HG SER 81 -9.560 -10.699 -9.244 596 H LEU 82 H LEU 82 -7.768 -9.520 -12.985 597 HA LEU 82 HA LEU 82 -7.251 -7.187 -14.571 598 1HB LEU 82 2HB LEU 82 -7.259 -10.080 -14.933 599 2HB LEU 82 1HB LEU 82 -7.880 -9.243 -16.356 600 HG LEU 82 HG LEU 82 -5.343 -8.342 -14.993 601 1HD1 LEU 82 1HD1 LEU 82 -4.127 -9.685 -16.711 602 2HD1 LEU 82 2HD1 LEU 82 -5.659 -10.420 -17.181 603 3HD1 LEU 82 3HD1 LEU 82 -5.009 -10.695 -15.565 604 1HD2 LEU 82 1HD2 LEU 82 -5.246 -6.871 -16.710 605 2HD2 LEU 82 2HD2 LEU 82 -6.918 -7.315 -17.056 606 3HD2 LEU 82 3HD2 LEU 82 -5.598 -8.128 -17.897 607 H GLU 83 H GLU 83 -10.176 -8.778 -13.692 608 HA GLU 83 HA GLU 83 -11.718 -7.908 -16.008 609 1HB GLU 83 2HB GLU 83 -12.295 -9.877 -14.506 610 2HB GLU 83 1HB GLU 83 -12.786 -8.699 -13.289 611 1HG GLU 83 2HG GLU 83 -14.546 -7.870 -14.626 612 2HG GLU 83 1HG GLU 83 -13.876 -8.576 -16.098 613 H GLU 84 H GLU 84 -11.231 -6.726 -12.690 614 HA GLU 84 HA GLU 84 -13.127 -4.564 -12.910 615 1HB GLU 84 2HB GLU 84 -11.328 -5.603 -10.933 616 2HB GLU 84 1HB GLU 84 -11.062 -3.865 -11.073 617 1HG GLU 84 2HG GLU 84 -12.811 -4.206 -9.442 618 2HG GLU 84 1HG GLU 84 -13.560 -3.553 -10.900 619 H ALA 85 H ALA 85 -9.585 -4.737 -13.340 620 HA ALA 85 HA ALA 85 -9.408 -1.914 -14.057 621 1HB ALA 85 1HB ALA 85 -7.099 -3.113 -15.006 622 2HB ALA 85 2HB ALA 85 -7.562 -4.160 -13.665 623 3HB ALA 85 3HB ALA 85 -7.308 -2.436 -13.391 624 H GLY 86 H GLY 86 -9.659 -4.976 -15.797 625 1HA GLY 86 2HA GLY 86 -9.242 -3.675 -18.398 626 2HA GLY 86 1HA GLY 86 -9.632 -5.378 -18.141 627 H ALA 87 H ALA 87 -11.278 -2.326 -17.242 628 HA ALA 87 HA ALA 87 -13.462 -2.729 -19.076 629 1HB ALA 87 1HB ALA 87 -13.569 -4.236 -16.640 630 2HB ALA 87 2HB ALA 87 -14.779 -4.139 -17.919 631 3HB ALA 87 3HB ALA 87 -14.817 -2.992 -16.580 632 H ILE 88 H ILE 88 -12.329 -1.322 -16.033 633 HA ILE 88 HA ILE 88 -14.063 0.704 -15.469 634 HB ILE 88 HB ILE 88 -11.858 2.189 -15.309 635 1HG1 ILE 88 2HG1 ILE 88 -10.763 -0.633 -15.508 636 2HG1 ILE 88 1HG1 ILE 88 -10.607 0.572 -16.786 637 1HG2 ILE 88 1HG2 ILE 88 -11.346 1.023 -13.170 638 2HG2 ILE 88 2HG2 ILE 88 -12.380 -0.315 -13.676 639 3HG2 ILE 88 3HG2 ILE 88 -13.078 1.280 -13.388 640 1HD1 ILE 88 1HD1 ILE 88 -8.937 1.646 -15.706 641 2HD1 ILE 88 2HD1 ILE 88 -8.841 0.221 -14.671 642 3HD1 ILE 88 3HD1 ILE 88 -9.807 1.609 -14.172 643 H LYS 89 H LYS 89 -14.941 2.437 -16.526 644 HA LYS 89 HA LYS 89 -13.745 3.165 -19.171 645 1HB LYS 89 2HB LYS 89 -16.633 3.640 -18.465 646 2HB LYS 89 1HB LYS 89 -15.895 3.498 -20.060 647 1HG LYS 89 2HG LYS 89 -15.349 1.080 -19.446 648 2HG LYS 89 1HG LYS 89 -16.422 1.290 -18.062 649 1HD LYS 89 2HD LYS 89 -18.302 1.760 -19.487 650 2HD LYS 89 1HD LYS 89 -17.268 1.857 -20.913 651 1HE LYS 89 2HE LYS 89 -16.634 -0.558 -20.500 652 2HE LYS 89 1HE LYS 89 -17.893 -0.607 -19.266 653 1HZ LYS 89 1HZ LYS 89 -18.354 -1.227 -21.780 654 2HZ LYS 89 2HZ LYS 89 -18.631 0.445 -21.884 655 3HZ LYS 89 3HZ LYS 89 -19.533 -0.503 -20.800 656 H ASN 90 H ASN 90 -13.470 5.368 -19.595 657 HA ASN 90 HA ASN 90 -12.870 7.174 -17.609 658 1HB ASN 90 2HB ASN 90 -13.815 8.939 -19.371 659 2HB ASN 90 1HB ASN 90 -12.352 8.012 -19.702 660 1HD2 ASN 90 1HD2 ASN 90 -15.922 7.802 -20.177 661 2HD2 ASN 90 2HD2 ASN 90 -15.823 6.972 -21.654 662 H SER 91 H SER 91 -16.061 6.180 -18.604 663 HA SER 91 HA SER 91 -17.532 8.377 -17.481 664 1HB SER 91 2HB SER 91 -18.121 5.751 -18.604 665 2HB SER 91 1HB SER 91 -19.161 6.123 -17.232 666 HG SER 91 HG SER 91 -20.183 7.128 -18.829 667 H GLN 92 H GLN 92 -16.396 5.293 -16.133 668 HA GLN 92 HA GLN 92 -17.718 5.594 -13.594 669 1HB GLN 92 2HB GLN 92 -16.019 3.686 -14.848 670 2HB GLN 92 1HB GLN 92 -15.258 4.130 -13.320 671 1HG GLN 92 2HG GLN 92 -17.224 3.553 -12.072 672 2HG GLN 92 1HG GLN 92 -18.185 3.391 -13.543 673 1HE2 GLN 92 1HE2 GLN 92 -18.523 1.230 -14.048 674 2HE2 GLN 92 2HE2 GLN 92 -17.403 -0.021 -13.802 675 H ILE 93 H ILE 93 -14.288 6.100 -14.507 676 HA ILE 93 HA ILE 93 -13.480 7.251 -12.041 677 HB ILE 93 HB ILE 93 -12.457 7.362 -14.857 678 1HG1 ILE 93 2HG1 ILE 93 -10.424 6.461 -13.633 679 2HG1 ILE 93 1HG1 ILE 93 -11.409 6.433 -12.171 680 1HG2 ILE 93 1HG2 ILE 93 -10.507 8.725 -13.864 681 2HG2 ILE 93 2HG2 ILE 93 -11.625 9.148 -12.568 682 3HG2 ILE 93 3HG2 ILE 93 -11.991 9.603 -14.231 683 1HD1 ILE 93 1HD1 ILE 93 -12.639 5.181 -14.558 684 2HD1 ILE 93 2HD1 ILE 93 -12.643 4.646 -12.877 685 3HD1 ILE 93 3HD1 ILE 93 -11.237 4.341 -13.896 686 H ALA 94 H ALA 94 -15.158 8.644 -14.798 687 HA ALA 94 HA ALA 94 -14.763 11.399 -13.948 688 1HB ALA 94 1HB ALA 94 -15.199 11.091 -16.267 689 2HB ALA 94 2HB ALA 94 -16.675 11.801 -15.613 690 3HB ALA 94 3HB ALA 94 -16.602 10.070 -15.945 691 H GLU 95 H GLU 95 -17.717 9.359 -14.067 692 HA GLU 95 HA GLU 95 -19.349 11.077 -12.533 693 1HB GLU 95 2HB GLU 95 -20.195 9.090 -13.753 694 2HB GLU 95 1HB GLU 95 -19.404 8.044 -12.573 695 1HG GLU 95 2HG GLU 95 -20.863 8.651 -10.854 696 2HG GLU 95 1HG GLU 95 -21.296 10.176 -11.626 697 H GLU 96 H GLU 96 -16.702 9.086 -11.536 698 HA GLU 96 HA GLU 96 -17.515 8.938 -8.734 699 1HB GLU 96 2HB GLU 96 -15.371 7.889 -10.394 700 2HB GLU 96 1HB GLU 96 -14.743 8.534 -8.877 701 1HG GLU 96 2HG GLU 96 -15.421 6.114 -8.743 702 2HG GLU 96 1HG GLU 96 -16.262 7.153 -7.590 703 H LEU 97 H LEU 97 -14.690 10.519 -10.277 704 HA LEU 97 HA LEU 97 -14.265 12.274 -8.029 705 1HB LEU 97 2HB LEU 97 -12.984 11.693 -10.546 706 2HB LEU 97 1HB LEU 97 -13.124 13.439 -10.350 707 HG LEU 97 HG LEU 97 -11.022 12.471 -9.360 708 1HD1 LEU 97 1HD1 LEU 97 -11.355 14.467 -8.310 709 2HD1 LEU 97 2HD1 LEU 97 -11.770 13.455 -6.927 710 3HD1 LEU 97 3HD1 LEU 97 -13.044 14.109 -7.955 711 1HD2 LEU 97 1HD2 LEU 97 -12.715 10.502 -8.434 712 2HD2 LEU 97 2HD2 LEU 97 -12.465 11.484 -6.990 713 3HD2 LEU 97 3HD2 LEU 97 -11.082 10.786 -7.834 714 H GLU 98 H GLU 98 -16.494 12.338 -10.617 715 HA GLU 98 HA GLU 98 -17.991 13.986 -11.367 716 1HB GLU 98 2HB GLU 98 -17.460 14.981 -8.551 717 2HB GLU 98 1HB GLU 98 -18.760 15.566 -9.589 718 1HG GLU 98 2HG GLU 98 -19.519 13.139 -9.787 719 2HG GLU 98 1HG GLU 98 -18.395 12.778 -8.476 720 H LEU 99 H LEU 99 -15.341 14.414 -12.204 721 HA LEU 99 HA LEU 99 -14.680 17.234 -11.680 722 1HB LEU 99 2HB LEU 99 -12.698 16.839 -12.938 723 2HB LEU 99 1HB LEU 99 -12.976 15.344 -12.047 724 HG LEU 99 HG LEU 99 -13.778 15.852 -14.931 725 1HD1 LEU 99 1HD1 LEU 99 -11.441 15.540 -14.932 726 2HD1 LEU 99 2HD1 LEU 99 -12.078 13.922 -15.229 727 3HD1 LEU 99 3HD1 LEU 99 -11.508 14.364 -13.619 728 1HD2 LEU 99 1HD2 LEU 99 -15.363 14.341 -13.950 729 2HD2 LEU 99 2HD2 LEU 99 -14.099 13.482 -13.071 730 3HD2 LEU 99 3HD2 LEU 99 -14.207 13.337 -14.825 731 HA PRO 100 HA PRO 100 -16.902 19.300 -14.864 732 1HB PRO 100 2HB PRO 100 -14.211 20.085 -15.921 733 2HB PRO 100 1HB PRO 100 -15.632 21.096 -15.601 734 1HG PRO 100 2HG PRO 100 -13.528 21.011 -13.939 735 2HG PRO 100 1HG PRO 100 -15.185 21.259 -13.370 736 1HD PRO 100 2HD PRO 100 -13.443 18.901 -13.033 737 2HD PRO 100 1HD PRO 100 -14.898 19.366 -12.126 738 HA PRO 101 HA PRO 101 -16.171 16.020 -17.957 739 1HB PRO 101 2HB PRO 101 -18.761 15.849 -18.809 740 2HB PRO 101 1HB PRO 101 -18.156 15.032 -17.356 741 1HG PRO 101 2HG PRO 101 -19.789 17.488 -17.604 742 2HG PRO 101 1HG PRO 101 -19.797 16.243 -16.346 743 1HD PRO 101 2HD PRO 101 -18.579 18.738 -16.113 744 2HD PRO 101 1HD PRO 101 -18.202 17.323 -15.108 745 H VAL 102 H VAL 102 -16.170 19.121 -18.347 746 HA VAL 102 HA VAL 102 -17.377 19.571 -20.934 747 HB VAL 102 HB VAL 102 -15.905 21.621 -20.941 748 1HG1 VAL 102 1HG1 VAL 102 -17.567 20.988 -18.488 749 2HG1 VAL 102 2HG1 VAL 102 -18.104 21.789 -19.966 750 3HG1 VAL 102 3HG1 VAL 102 -16.983 22.606 -18.876 751 1HG2 VAL 102 1HG2 VAL 102 -14.879 20.217 -18.481 752 2HG2 VAL 102 2HG2 VAL 102 -14.831 21.977 -18.582 753 3HG2 VAL 102 3HG2 VAL 102 -13.965 21.002 -19.768 754 H LYS 103 H LYS 103 -14.097 18.709 -19.859 755 HA LYS 103 HA LYS 103 -13.370 18.303 -22.731 756 1HB LYS 103 2HB LYS 103 -11.774 19.010 -20.284 757 2HB LYS 103 1HB LYS 103 -10.984 18.186 -21.629 758 1HG LYS 103 2HG LYS 103 -12.036 20.001 -23.128 759 2HG LYS 103 1HG LYS 103 -12.344 20.881 -21.630 760 1HD LYS 103 2HD LYS 103 -10.011 20.982 -21.102 761 2HD LYS 103 1HD LYS 103 -9.608 19.825 -22.372 762 1HE LYS 103 2HE LYS 103 -10.989 21.858 -23.703 763 2HE LYS 103 1HE LYS 103 -9.957 22.710 -22.555 764 1HZ LYS 103 1HZ LYS 103 -8.736 22.354 -24.556 765 2HZ LYS 103 2HZ LYS 103 -9.112 20.698 -24.565 766 3HZ LYS 103 3HZ LYS 103 -8.089 21.333 -23.366 767 H VAL 104 H VAL 104 -13.809 16.742 -19.656 768 HA VAL 104 HA VAL 104 -13.387 14.518 -18.973 769 HB VAL 104 HB VAL 104 -14.142 13.780 -21.795 770 1HG1 VAL 104 1HG1 VAL 104 -14.622 12.689 -19.021 771 2HG1 VAL 104 2HG1 VAL 104 -13.838 11.895 -20.388 772 3HG1 VAL 104 3HG1 VAL 104 -15.581 12.159 -20.402 773 1HG2 VAL 104 1HG2 VAL 104 -16.441 14.312 -21.378 774 2HG2 VAL 104 2HG2 VAL 104 -15.529 15.759 -20.954 775 3HG2 VAL 104 3HG2 VAL 104 -16.118 14.685 -19.687 776 H HIS 105 H HIS 105 -11.074 15.923 -20.181 777 HA HIS 105 HA HIS 105 -9.704 13.927 -21.831 778 1HB HIS 105 2HB HIS 105 -9.410 16.593 -21.652 779 2HB HIS 105 1HB HIS 105 -8.176 16.105 -20.489 780 HD2 HIS 105 HD2 HIS 105 -6.838 17.253 -23.146 781 HE1 HIS 105 HE1 HIS 105 -6.513 13.268 -24.503 782 HE2 HIS 105 HE2 HIS 105 -5.691 15.642 -24.847 783 H CYS 106 H CYS 106 -9.682 14.957 -18.445 784 HA CYS 106 HA CYS 106 -7.372 13.528 -17.602 785 1HB CYS 106 2HB CYS 106 -9.917 14.015 -16.023 786 2HB CYS 106 1HB CYS 106 -8.324 13.659 -15.355 787 HG CYS 106 HG CYS 106 -9.258 16.388 -16.278 788 H SER 107 H SER 107 -10.773 12.498 -17.109 789 HA SER 107 HA SER 107 -10.239 9.843 -16.384 790 1HB SER 107 2HB SER 107 -12.571 10.554 -18.157 791 2HB SER 107 1HB SER 107 -12.507 9.373 -16.853 792 HG SER 107 HG SER 107 -11.864 11.558 -15.689 793 H ILE 108 H ILE 108 -11.098 10.948 -19.690 794 HA ILE 108 HA ILE 108 -10.762 8.608 -21.106 795 HB ILE 108 HB ILE 108 -9.940 11.430 -21.796 796 1HG1 ILE 108 2HG1 ILE 108 -12.117 9.587 -22.836 797 2HG1 ILE 108 1HG1 ILE 108 -12.356 10.848 -21.626 798 1HG2 ILE 108 1HG2 ILE 108 -9.718 8.926 -23.487 799 2HG2 ILE 108 2HG2 ILE 108 -8.433 10.067 -23.087 800 3HG2 ILE 108 3HG2 ILE 108 -9.740 10.553 -24.167 801 1HD1 ILE 108 1HD1 ILE 108 -12.245 12.532 -23.166 802 2HD1 ILE 108 2HD1 ILE 108 -12.703 11.252 -24.290 803 3HD1 ILE 108 3HD1 ILE 108 -11.008 11.712 -24.120 804 H LEU 109 H LEU 109 -8.150 10.720 -19.925 805 HA LEU 109 HA LEU 109 -5.999 9.251 -21.112 806 1HB LEU 109 2HB LEU 109 -6.314 11.414 -19.203 807 2HB LEU 109 1HB LEU 109 -5.056 10.297 -18.673 808 HG LEU 109 HG LEU 109 -4.041 10.439 -20.960 809 1HD1 LEU 109 1HD1 LEU 109 -6.307 12.403 -21.291 810 2HD1 LEU 109 2HD1 LEU 109 -5.830 11.085 -22.361 811 3HD1 LEU 109 3HD1 LEU 109 -4.837 12.538 -22.257 812 1HD2 LEU 109 1HD2 LEU 109 -3.722 13.158 -20.553 813 2HD2 LEU 109 2HD2 LEU 109 -2.796 11.896 -19.742 814 3HD2 LEU 109 3HD2 LEU 109 -4.218 12.585 -18.960 815 H ALA 110 H ALA 110 -7.506 9.038 -17.883 816 HA ALA 110 HA ALA 110 -5.865 7.024 -16.792 817 1HB ALA 110 1HB ALA 110 -7.357 7.861 -15.231 818 2HB ALA 110 2HB ALA 110 -8.175 6.354 -15.650 819 3HB ALA 110 3HB ALA 110 -8.704 7.874 -16.371 820 H GLU 111 H GLU 111 -9.114 6.399 -18.181 821 HA GLU 111 HA GLU 111 -8.957 3.635 -18.372 822 1HB GLU 111 2HB GLU 111 -11.010 4.654 -19.005 823 2HB GLU 111 1HB GLU 111 -10.226 5.645 -20.236 824 1HG GLU 111 2HG GLU 111 -9.907 2.704 -20.515 825 2HG GLU 111 1HG GLU 111 -11.519 3.348 -20.823 826 H ASP 112 H ASP 112 -8.323 5.676 -21.242 827 HA ASP 112 HA ASP 112 -7.136 3.854 -22.903 828 1HB ASP 112 2HB ASP 112 -7.210 6.625 -22.800 829 2HB ASP 112 1HB ASP 112 -5.482 6.268 -22.758 830 H ALA 113 H ALA 113 -5.816 5.043 -19.898 831 HA ALA 113 HA ALA 113 -3.103 4.125 -20.379 832 1HB ALA 113 1HB ALA 113 -3.985 5.853 -18.624 833 2HB ALA 113 2HB ALA 113 -2.658 4.783 -18.173 834 3HB ALA 113 3HB ALA 113 -4.298 4.428 -17.633 835 H ILE 114 H ILE 114 -5.582 2.887 -18.093 836 HA ILE 114 HA ILE 114 -4.364 0.487 -17.409 837 HB ILE 114 HB ILE 114 -6.733 1.506 -16.788 838 1HG1 ILE 114 2HG1 ILE 114 -7.388 -0.984 -16.184 839 2HG1 ILE 114 1HG1 ILE 114 -5.762 -1.335 -16.776 840 1HG2 ILE 114 1HG2 ILE 114 -8.580 0.456 -17.868 841 2HG2 ILE 114 2HG2 ILE 114 -7.534 -0.691 -18.705 842 3HG2 ILE 114 3HG2 ILE 114 -7.532 1.009 -19.175 843 1HD1 ILE 114 1HD1 ILE 114 -5.322 0.863 -15.186 844 2HD1 ILE 114 2HD1 ILE 114 -5.097 -0.808 -14.670 845 3HD1 ILE 114 3HD1 ILE 114 -6.605 0.031 -14.307 846 H LYS 115 H LYS 115 -6.161 1.208 -20.384 847 HA LYS 115 HA LYS 115 -6.129 -1.480 -21.404 848 1HB LYS 115 2HB LYS 115 -7.534 0.505 -22.236 849 2HB LYS 115 1HB LYS 115 -6.088 1.017 -23.109 850 1HG LYS 115 2HG LYS 115 -6.007 -1.320 -24.111 851 2HG LYS 115 1HG LYS 115 -7.614 -1.576 -23.431 852 1HD LYS 115 2HD LYS 115 -8.273 0.608 -24.635 853 2HD LYS 115 1HD LYS 115 -6.772 0.410 -25.542 854 1HE LYS 115 2HE LYS 115 -7.572 -1.963 -26.068 855 2HE LYS 115 1HE LYS 115 -9.146 -1.460 -25.451 856 1HZ LYS 115 1HZ LYS 115 -7.668 -0.068 -27.616 857 2HZ LYS 115 2HZ LYS 115 -9.242 0.275 -27.075 858 3HZ LYS 115 3HZ LYS 115 -8.915 -1.188 -27.874 859 H ALA 116 H ALA 116 -3.932 1.293 -21.838 860 HA ALA 116 HA ALA 116 -2.160 0.067 -23.693 861 1HB ALA 116 1HB ALA 116 -2.288 2.511 -22.442 862 2HB ALA 116 2HB ALA 116 -0.935 1.962 -23.430 863 3HB ALA 116 3HB ALA 116 -0.874 1.787 -21.676 864 H ALA 117 H ALA 117 -1.989 0.188 -20.116 865 HA ALA 117 HA ALA 117 0.365 -1.394 -19.871 866 1HB ALA 117 1HB ALA 117 -0.049 -0.661 -17.770 867 2HB ALA 117 2HB ALA 117 -1.162 -2.022 -17.634 868 3HB ALA 117 3HB ALA 117 -1.764 -0.433 -18.108 869 H ILE 118 H ILE 118 -3.064 -2.411 -19.576 870 HA ILE 118 HA ILE 118 -2.657 -5.165 -19.288 871 HB ILE 118 HB ILE 118 -4.817 -3.622 -20.736 872 1HG1 ILE 118 2HG1 ILE 118 -5.138 -5.327 -18.282 873 2HG1 ILE 118 1HG1 ILE 118 -4.409 -3.728 -18.130 874 1HG2 ILE 118 1HG2 ILE 118 -6.076 -5.849 -20.612 875 2HG2 ILE 118 2HG2 ILE 118 -4.504 -6.606 -20.345 876 3HG2 ILE 118 3HG2 ILE 118 -4.821 -5.736 -21.846 877 1HD1 ILE 118 1HD1 ILE 118 -6.365 -2.684 -19.126 878 2HD1 ILE 118 2HD1 ILE 118 -6.894 -3.715 -17.797 879 3HD1 ILE 118 3HD1 ILE 118 -7.079 -4.261 -19.463 880 H ALA 119 H ALA 119 -2.481 -3.192 -22.214 881 HA ALA 119 HA ALA 119 -2.332 -5.361 -24.084 882 1HB ALA 119 1HB ALA 119 -0.744 -2.992 -24.783 883 2HB ALA 119 2HB ALA 119 -2.384 -2.601 -24.263 884 3HB ALA 119 3HB ALA 119 -2.125 -3.702 -25.616 885 H ASP 120 H ASP 120 0.297 -3.330 -22.726 886 HA ASP 120 HA ASP 120 2.414 -4.947 -23.757 887 1HB ASP 120 2HB ASP 120 2.132 -2.718 -21.884 888 2HB ASP 120 1HB ASP 120 3.407 -3.839 -21.407 889 H TYR 121 H TYR 121 0.148 -5.587 -21.313 890 HA TYR 121 HA TYR 121 1.908 -7.338 -19.736 891 1HB TYR 121 2HB TYR 121 0.143 -6.200 -18.535 892 2HB TYR 121 1HB TYR 121 -1.076 -6.809 -19.654 893 HD1 TYR 121 HD1 TYR 121 1.502 -7.920 -17.189 894 HD2 TYR 121 HD2 TYR 121 -2.126 -8.886 -19.275 895 HE1 TYR 121 HE1 TYR 121 1.249 -9.961 -15.803 896 HE2 TYR 121 HE2 TYR 121 -2.381 -10.926 -17.888 897 HH TYR 121 HH TYR 121 -0.758 -11.441 -15.064 898 H LYS 122 H LYS 122 -0.788 -7.711 -22.042 899 HA LYS 122 HA LYS 122 -0.335 -10.642 -22.065 900 1HB LYS 122 2HB LYS 122 -2.644 -9.216 -22.187 901 2HB LYS 122 1HB LYS 122 -2.321 -9.431 -23.907 902 1HG LYS 122 2HG LYS 122 -1.974 -11.899 -23.428 903 2HG LYS 122 1HG LYS 122 -2.596 -11.593 -21.805 904 1HD LYS 122 2HD LYS 122 -4.159 -10.688 -24.211 905 2HD LYS 122 1HD LYS 122 -4.263 -12.364 -23.666 906 1HE LYS 122 2HE LYS 122 -5.277 -11.794 -21.659 907 2HE LYS 122 1HE LYS 122 -4.565 -10.181 -21.638 908 1HZ LYS 122 1HZ LYS 122 -6.021 -9.880 -23.754 909 2HZ LYS 122 2HZ LYS 122 -6.714 -9.717 -22.212 910 3HZ LYS 122 3HZ LYS 122 -6.922 -11.155 -23.092 911 H ALA 123 H ALA 123 1.089 -8.087 -23.500 912 HA ALA 123 HA ALA 123 1.274 -9.349 -26.191 913 1HB ALA 123 1HB ALA 123 2.060 -6.624 -25.133 914 2HB ALA 123 2HB ALA 123 0.830 -7.001 -26.340 915 3HB ALA 123 3HB ALA 123 2.538 -7.196 -26.732 916 H LYS 124 H LYS 124 3.181 -8.506 -23.346 917 HA LYS 124 HA LYS 124 5.728 -9.229 -24.552 918 1HB LYS 124 2HB LYS 124 4.834 -8.056 -22.105 919 2HB LYS 124 1HB LYS 124 5.810 -9.468 -21.697 920 1HG LYS 124 2HG LYS 124 7.609 -8.637 -23.189 921 2HG LYS 124 1HG LYS 124 6.639 -7.203 -23.537 922 1HD LYS 124 2HD LYS 124 6.570 -7.019 -20.890 923 2HD LYS 124 1HD LYS 124 8.052 -7.969 -21.010 924 1HE LYS 124 2HE LYS 124 8.929 -6.276 -22.646 925 2HE LYS 124 1HE LYS 124 7.499 -5.294 -22.325 926 1HZ LYS 124 1HZ LYS 124 8.959 -6.216 -19.991 927 2HZ LYS 124 2HZ LYS 124 8.243 -4.708 -20.302 928 3HZ LYS 124 3HZ LYS 124 9.766 -5.079 -20.955 929 H GLN 125 H GLN 125 3.078 -11.013 -23.429 930 HA GLN 125 HA GLN 125 4.086 -13.224 -22.098 931 1HB GLN 125 2HB GLN 125 1.690 -12.802 -22.958 932 2HB GLN 125 1HB GLN 125 2.230 -13.564 -24.454 933 1HG GLN 125 2HG GLN 125 3.043 -15.509 -23.008 934 2HG GLN 125 1HG GLN 125 2.129 -14.779 -21.688 935 1HE2 GLN 125 1HE2 GLN 125 1.618 -15.718 -25.142 936 2HE2 GLN 125 2HE2 GLN 125 0.029 -16.268 -24.905 937 H GLY 126 H GLY 126 4.951 -12.147 -25.243 938 1HA GLY 126 2HA GLY 126 7.200 -13.486 -25.752 939 2HA GLY 126 1HA GLY 126 6.043 -14.793 -26.012 940 H LEU 127 H LEU 127 3.955 -13.227 -27.185 941 HA LEU 127 HA LEU 127 4.776 -13.226 -29.917 942 1HB LEU 127 2HB LEU 127 2.371 -12.405 -28.397 943 2HB LEU 127 1HB LEU 127 2.595 -11.594 -29.948 944 HG LEU 127 HG LEU 127 2.776 -14.597 -29.626 945 1HD1 LEU 127 1HD1 LEU 127 0.527 -14.770 -29.675 946 2HD1 LEU 127 2HD1 LEU 127 0.407 -13.609 -30.996 947 3HD1 LEU 127 3HD1 LEU 127 0.465 -13.042 -29.327 948 1HD2 LEU 127 1HD2 LEU 127 3.351 -12.757 -31.737 949 2HD2 LEU 127 2HD2 LEU 127 1.918 -13.674 -32.200 950 3HD2 LEU 127 3HD2 LEU 127 3.409 -14.519 -31.787 951 H GLU 128 H GLU 128 4.571 -10.624 -27.518 952 HA GLU 128 HA GLU 128 5.426 -8.440 -27.575 953 1HB GLU 128 2HB GLU 128 7.289 -10.122 -28.987 954 2HB GLU 128 1HB GLU 128 7.221 -8.546 -29.774 955 1HG GLU 128 2HG GLU 128 7.870 -7.403 -27.819 956 2HG GLU 128 1HG GLU 128 7.446 -8.761 -26.776 957 H HIS 129 H HIS 129 3.515 -9.703 -29.881 958 HA HIS 129 HA HIS 129 3.334 -7.088 -31.317 959 1HB HIS 129 2HB HIS 129 3.361 -9.880 -32.450 960 2HB HIS 129 1HB HIS 129 2.529 -8.578 -33.300 961 HD2 HIS 129 HD2 HIS 129 4.349 -7.823 -35.249 962 HE1 HIS 129 HE1 HIS 129 7.781 -7.617 -32.794 963 HE2 HIS 129 HE2 HIS 129 6.882 -7.209 -35.131 964 H HIS 130 H HIS 130 1.083 -7.095 -32.555 965 HA HIS 130 HA HIS 130 -0.951 -8.078 -30.594 966 1HB HIS 130 2HB HIS 130 -2.355 -6.212 -31.312 967 2HB HIS 130 1HB HIS 130 -0.775 -5.598 -30.825 968 HD2 HIS 130 HD2 HIS 130 0.380 -4.005 -32.760 969 HE1 HIS 130 HE1 HIS 130 -1.805 -5.416 -36.088 970 HE2 HIS 130 HE2 HIS 130 -0.065 -3.740 -35.317 971 H HIS 131 H HIS 131 -3.181 -7.571 -32.338 972 HA HIS 131 HA HIS 131 -2.778 -9.027 -34.827 973 1HB HIS 131 2HB HIS 131 -4.327 -10.915 -34.146 974 2HB HIS 131 1HB HIS 131 -2.734 -10.958 -33.389 975 HD2 HIS 131 HD2 HIS 131 -6.261 -11.332 -32.228 976 HE1 HIS 131 HE1 HIS 131 -4.289 -9.533 -28.956 977 HE2 HIS 131 HE2 HIS 131 -6.398 -10.731 -29.694 978 H HIS 132 H HIS 132 -5.533 -10.004 -34.902 979 HA HIS 132 HA HIS 132 -7.136 -7.534 -34.528 980 1HB HIS 132 2HB HIS 132 -6.054 -7.718 -36.899 981 2HB HIS 132 1HB HIS 132 -7.253 -8.984 -37.166 982 HD2 HIS 132 HD2 HIS 132 -9.882 -7.622 -35.784 983 HE1 HIS 132 HE1 HIS 132 -9.064 -4.281 -38.235 984 HE2 HIS 132 HE2 HIS 132 -10.831 -5.423 -36.818 985 H HIS 133 H HIS 133 -7.500 -9.645 -32.915 986 HA HIS 133 HA HIS 133 -8.985 -11.357 -32.272 987 1HB HIS 133 2HB HIS 133 -10.836 -9.711 -34.024 988 2HB HIS 133 1HB HIS 133 -11.336 -10.852 -32.775 989 HD2 HIS 133 HD2 HIS 133 -8.626 -9.447 -30.886 990 HE1 HIS 133 HE1 HIS 133 -11.513 -6.381 -30.572 991 HE2 HIS 133 HE2 HIS 133 -9.351 -7.292 -29.608 992 H HIS 134 HN HIS 134 -11.333 -11.804 -34.336 993 HA HIS 134 HA HIS 134 -9.773 -13.572 -36.174 994 1HB HIS 134 2HB HIS 134 -12.141 -14.911 -35.866 995 2HB HIS 134 1HB HIS 134 -10.670 -15.279 -34.963 996 HD2 HIS 134 HD2 HIS 134 -13.151 -12.250 -34.221 997 HE1 HIS 134 HE1 HIS 134 -12.860 -14.679 -30.778 998 HE2 HIS 134 HE2 HIS 134 -13.849 -12.543 -31.725 Start of MODEL 5 1 1H MET 1 1H MET 1 -10.030 -1.903 12.366 2 2H MET 1 2H MET 1 -11.121 -0.603 12.290 3 3H MET 1 3H MET 1 -9.793 -0.541 13.349 4 HA MET 1 HA MET 1 -8.807 0.637 11.743 5 1HB MET 1 2HB MET 1 -8.367 -2.174 11.390 6 2HB MET 1 1HB MET 1 -8.378 -1.410 9.800 7 1HG MET 1 2HG MET 1 -6.681 -0.604 12.179 8 2HG MET 1 1HG MET 1 -6.111 -1.341 10.681 9 1HE MET 1 1HE MET 1 -4.446 0.368 9.831 10 2HE MET 1 2HE MET 1 -5.143 1.427 8.608 11 3HE MET 1 3HE MET 1 -5.585 -0.278 8.641 12 H ALA 2 H ALA 2 -9.838 2.097 10.470 13 HA ALA 2 HA ALA 2 -12.224 1.737 9.059 14 1HB ALA 2 1HB ALA 2 -10.055 3.517 7.960 15 2HB ALA 2 2HB ALA 2 -10.838 3.901 9.494 16 3HB ALA 2 3HB ALA 2 -11.794 3.801 8.015 17 H TYR 3 H TYR 3 -8.932 1.623 7.636 18 HA TYR 3 HA TYR 3 -10.068 0.257 5.264 19 1HB TYR 3 2HB TYR 3 -7.144 0.836 5.580 20 2HB TYR 3 1HB TYR 3 -8.142 0.884 4.125 21 HD1 TYR 3 HD1 TYR 3 -10.450 2.502 5.181 22 HD2 TYR 3 HD2 TYR 3 -6.206 3.027 5.585 23 HE1 TYR 3 HE1 TYR 3 -10.780 4.942 5.484 24 HE2 TYR 3 HE2 TYR 3 -6.536 5.466 5.889 25 HH TYR 3 HH TYR 3 -9.798 6.908 5.769 26 H SER 4 H SER 4 -10.165 -1.268 7.629 27 HA SER 4 HA SER 4 -8.012 -2.937 8.235 28 1HB SER 4 2HB SER 4 -9.711 -3.659 9.550 29 2HB SER 4 1HB SER 4 -10.932 -3.121 8.400 30 HG SER 4 HG SER 4 -10.957 -5.053 7.520 31 H GLU 5 H GLU 5 -9.762 -2.721 5.264 32 HA GLU 5 HA GLU 5 -9.038 -5.384 4.309 33 1HB GLU 5 2HB GLU 5 -9.705 -4.241 2.045 34 2HB GLU 5 1HB GLU 5 -10.956 -4.563 3.246 35 1HG GLU 5 2HG GLU 5 -9.535 -1.967 3.502 36 2HG GLU 5 1HG GLU 5 -10.609 -2.134 2.112 37 H LYS 6 H LYS 6 -7.895 -5.217 1.931 38 HA LYS 6 HA LYS 6 -5.801 -4.975 0.898 39 1HB LYS 6 2HB LYS 6 -6.313 -2.239 2.068 40 2HB LYS 6 1HB LYS 6 -4.833 -2.586 1.174 41 1HG LYS 6 2HG LYS 6 -6.097 -3.226 -0.792 42 2HG LYS 6 1HG LYS 6 -7.617 -3.094 0.092 43 1HD LYS 6 2HD LYS 6 -6.829 -0.631 0.539 44 2HD LYS 6 1HD LYS 6 -5.785 -0.908 -0.856 45 1HE LYS 6 2HE LYS 6 -7.838 -1.671 -2.124 46 2HE LYS 6 1HE LYS 6 -8.806 -1.113 -0.758 47 1HZ LYS 6 1HZ LYS 6 -8.769 0.855 -1.765 48 2HZ LYS 6 2HZ LYS 6 -7.522 0.401 -2.826 49 3HZ LYS 6 3HZ LYS 6 -7.151 0.979 -1.272 50 H VAL 7 H VAL 7 -4.310 -6.294 1.875 51 HA VAL 7 HA VAL 7 -3.127 -5.362 4.457 52 HB VAL 7 HB VAL 7 -4.054 -7.552 4.728 53 1HG1 VAL 7 1HG1 VAL 7 -2.968 -9.342 3.039 54 2HG1 VAL 7 2HG1 VAL 7 -2.957 -7.930 1.983 55 3HG1 VAL 7 3HG1 VAL 7 -4.475 -8.501 2.675 56 1HG2 VAL 7 1HG2 VAL 7 -1.596 -7.097 5.438 57 2HG2 VAL 7 2HG2 VAL 7 -1.166 -8.146 4.087 58 3HG2 VAL 7 3HG2 VAL 7 -2.149 -8.772 5.411 59 H ILE 8 H ILE 8 -0.825 -5.377 4.666 60 HA ILE 8 HA ILE 8 0.579 -4.996 2.090 61 HB ILE 8 HB ILE 8 2.062 -4.723 4.646 62 1HG1 ILE 8 2HG1 ILE 8 -0.197 -3.927 5.283 63 2HG1 ILE 8 1HG1 ILE 8 0.954 -2.592 5.202 64 1HG2 ILE 8 1HG2 ILE 8 2.868 -4.064 2.333 65 2HG2 ILE 8 2HG2 ILE 8 2.950 -2.778 3.538 66 3HG2 ILE 8 3HG2 ILE 8 1.648 -2.791 2.348 67 1HD1 ILE 8 1HD1 ILE 8 0.107 -1.847 3.110 68 2HD1 ILE 8 2HD1 ILE 8 -1.324 -2.214 4.074 69 3HD1 ILE 8 3HD1 ILE 8 -0.774 -3.352 2.843 70 H ASP 9 H ASP 9 3.196 -5.703 3.143 71 HA ASP 9 HA ASP 9 2.969 -8.643 2.834 72 1HB ASP 9 2HB ASP 9 5.057 -6.600 2.342 73 2HB ASP 9 1HB ASP 9 5.646 -8.148 2.946 74 H HIS 10 H HIS 10 5.338 -9.386 4.177 75 HA HIS 10 HA HIS 10 4.673 -8.711 7.017 76 1HB HIS 10 2HB HIS 10 5.837 -11.378 6.321 77 2HB HIS 10 1HB HIS 10 4.751 -10.940 7.640 78 HD2 HIS 10 HD2 HIS 10 2.464 -12.401 7.053 79 HE1 HIS 10 HE1 HIS 10 2.145 -11.351 2.974 80 HE2 HIS 10 HE2 HIS 10 1.023 -12.586 4.886 81 H TYR 11 H TYR 11 6.399 -7.883 8.109 82 HA TYR 11 HA TYR 11 8.609 -7.043 8.325 83 1HB TYR 11 2HB TYR 11 9.045 -10.022 7.945 84 2HB TYR 11 1HB TYR 11 10.237 -8.906 8.612 85 HD1 TYR 11 HD1 TYR 11 9.995 -7.977 10.837 86 HD2 TYR 11 HD2 TYR 11 6.965 -10.527 9.175 87 HE1 TYR 11 HE1 TYR 11 8.949 -8.191 13.075 88 HE2 TYR 11 HE2 TYR 11 5.917 -10.741 11.413 89 HH TYR 11 HH TYR 11 7.064 -8.849 14.164 90 H GLU 12 H GLU 12 8.392 -5.966 6.153 91 HA GLU 12 HA GLU 12 9.519 -7.283 3.823 92 1HB GLU 12 2HB GLU 12 7.841 -5.286 3.941 93 2HB GLU 12 1HB GLU 12 9.291 -4.297 4.117 94 1HG GLU 12 2HG GLU 12 9.086 -4.319 1.807 95 2HG GLU 12 1HG GLU 12 10.119 -5.729 2.046 96 H ASN 13 H ASN 13 11.640 -7.927 4.251 97 HA ASN 13 HA ASN 13 13.556 -5.991 5.369 98 1HB ASN 13 2HB ASN 13 14.801 -8.355 4.280 99 2HB ASN 13 1HB ASN 13 14.669 -7.857 5.966 100 1HD2 ASN 13 1HD2 ASN 13 13.789 -10.322 3.873 101 2HD2 ASN 13 2HD2 ASN 13 12.450 -10.928 4.722 102 HA PRO 14 HA PRO 14 14.998 -6.713 0.706 103 1HB PRO 14 2HB PRO 14 12.297 -6.768 -0.520 104 2HB PRO 14 1HB PRO 14 13.723 -7.756 -0.889 105 1HG PRO 14 2HG PRO 14 11.603 -8.756 0.395 106 2HG PRO 14 1HG PRO 14 13.257 -9.281 0.755 107 1HD PRO 14 2HD PRO 14 11.479 -7.448 2.319 108 2HD PRO 14 1HD PRO 14 12.667 -8.636 2.903 109 H ARG 15 H ARG 15 12.319 -4.849 1.927 110 HA ARG 15 HA ARG 15 11.869 -2.550 1.751 111 1HB ARG 15 2HB ARG 15 14.631 -2.762 1.420 112 2HB ARG 15 1HB ARG 15 14.106 -1.829 0.018 113 1HG ARG 15 2HG ARG 15 14.485 -0.209 1.713 114 2HG ARG 15 1HG ARG 15 12.735 -0.422 1.677 115 1HD ARG 15 2HD ARG 15 13.212 -0.552 3.969 116 2HD ARG 15 1HD ARG 15 13.164 -2.249 3.494 117 HE ARG 15 HE ARG 15 15.823 -1.559 3.170 118 1HH1 ARG 15 1HH2 ARG 15 13.466 -1.312 5.671 119 2HH1 ARG 15 2HH2 ARG 15 14.617 -1.467 6.956 120 1HH2 ARG 15 2HH1 ARG 15 17.343 -1.763 4.833 121 2HH2 ARG 15 1HH1 ARG 15 16.814 -1.723 6.482 122 H ASN 16 H ASN 16 10.526 -1.494 0.332 123 HA ASN 16 HA ASN 16 9.749 -2.710 -2.108 124 1HB ASN 16 2HB ASN 16 8.888 -0.537 -0.558 125 2HB ASN 16 1HB ASN 16 9.288 0.163 -2.127 126 1HD2 ASN 16 1HD2 ASN 16 7.119 0.431 -2.900 127 2HD2 ASN 16 2HD2 ASN 16 6.081 -0.879 -3.194 128 H VAL 17 H VAL 17 10.933 -2.869 -3.939 129 HA VAL 17 HA VAL 17 12.977 -0.772 -4.497 130 HB VAL 17 HB VAL 17 12.721 -3.374 -5.996 131 1HG1 VAL 17 1HG1 VAL 17 15.262 -3.017 -5.991 132 2HG1 VAL 17 2HG1 VAL 17 14.926 -1.407 -5.353 133 3HG1 VAL 17 3HG1 VAL 17 14.314 -1.872 -6.940 134 1HG2 VAL 17 1HG2 VAL 17 13.961 -2.897 -3.272 135 2HG2 VAL 17 2HG2 VAL 17 14.384 -4.272 -4.293 136 3HG2 VAL 17 3HG2 VAL 17 12.733 -4.090 -3.700 137 H GLY 18 H GLY 18 9.965 -0.707 -5.031 138 1HA GLY 18 2HA GLY 18 8.602 0.182 -6.722 139 2HA GLY 18 1HA GLY 18 10.086 0.631 -7.564 140 H SER 19 H SER 19 9.127 -0.045 -9.592 141 HA SER 19 HA SER 19 7.986 -2.561 -10.141 142 1HB SER 19 2HB SER 19 9.073 -2.161 -12.484 143 2HB SER 19 1HB SER 19 7.861 -1.022 -11.905 144 HG SER 19 HG SER 19 9.917 0.005 -10.942 145 H LEU 20 H LEU 20 9.607 -3.796 -12.080 146 HA LEU 20 HA LEU 20 11.811 -4.863 -10.359 147 1HB LEU 20 2HB LEU 20 9.753 -6.316 -11.209 148 2HB LEU 20 1HB LEU 20 10.722 -6.407 -12.680 149 HG LEU 20 HG LEU 20 12.652 -7.207 -11.335 150 1HD1 LEU 20 1HD1 LEU 20 11.472 -8.085 -8.971 151 2HD1 LEU 20 2HD1 LEU 20 10.840 -6.451 -9.170 152 3HD1 LEU 20 3HD1 LEU 20 12.582 -6.725 -9.128 153 1HD2 LEU 20 1HD2 LEU 20 11.067 -9.307 -10.422 154 2HD2 LEU 20 2HD2 LEU 20 11.764 -9.169 -12.037 155 3HD2 LEU 20 3HD2 LEU 20 10.117 -8.613 -11.736 156 H ASP 21 H ASP 21 12.462 -6.370 -13.036 157 HA ASP 21 HA ASP 21 14.350 -4.288 -13.972 158 1HB ASP 21 2HB ASP 21 15.273 -6.256 -15.323 159 2HB ASP 21 1HB ASP 21 15.398 -6.397 -13.569 160 H LYS 22 H LYS 22 11.279 -4.845 -14.654 161 HA LYS 22 HA LYS 22 9.936 -4.367 -16.518 162 1HB LYS 22 2HB LYS 22 11.810 -2.551 -16.737 163 2HB LYS 22 1HB LYS 22 12.397 -3.569 -18.053 164 1HG LYS 22 2HG LYS 22 10.171 -3.461 -19.127 165 2HG LYS 22 1HG LYS 22 9.599 -2.421 -17.821 166 1HD LYS 22 2HD LYS 22 11.684 -0.951 -18.466 167 2HD LYS 22 1HD LYS 22 11.568 -1.808 -20.003 168 1HE LYS 22 2HE LYS 22 9.002 -1.173 -19.785 169 2HE LYS 22 1HE LYS 22 9.635 0.106 -18.748 170 1HZ LYS 22 1HZ LYS 22 9.540 0.116 -21.491 171 2HZ LYS 22 2HZ LYS 22 11.175 -0.167 -21.126 172 3HZ LYS 22 3HZ LYS 22 10.388 1.206 -20.506 173 H LYS 23 H LYS 23 13.016 -5.991 -17.244 174 HA LYS 23 HA LYS 23 12.035 -7.304 -19.628 175 1HB LYS 23 2HB LYS 23 14.467 -7.356 -17.973 176 2HB LYS 23 1HB LYS 23 14.062 -8.920 -18.683 177 1HG LYS 23 2HG LYS 23 15.464 -7.724 -20.255 178 2HG LYS 23 1HG LYS 23 13.826 -7.772 -20.908 179 1HD LYS 23 2HD LYS 23 13.414 -5.514 -20.375 180 2HD LYS 23 1HD LYS 23 14.747 -5.450 -19.222 181 1HE LYS 23 2HE LYS 23 16.341 -5.774 -21.127 182 2HE LYS 23 1HE LYS 23 14.974 -5.669 -22.237 183 1HZ LYS 23 1HZ LYS 23 15.674 -3.507 -22.180 184 2HZ LYS 23 2HZ LYS 23 16.171 -3.580 -20.556 185 3HZ LYS 23 3HZ LYS 23 14.518 -3.480 -20.938 186 H ASP 24 H ASP 24 10.512 -7.533 -16.970 187 HA ASP 24 HA ASP 24 10.561 -10.486 -16.625 188 1HB ASP 24 2HB ASP 24 10.539 -8.751 -14.676 189 2HB ASP 24 1HB ASP 24 8.823 -8.591 -15.055 190 H SER 25 H SER 25 8.352 -11.545 -16.459 191 HA SER 25 HA SER 25 6.632 -10.506 -18.657 192 1HB SER 25 2HB SER 25 6.560 -13.241 -17.358 193 2HB SER 25 1HB SER 25 5.784 -12.756 -18.864 194 HG SER 25 HG SER 25 8.438 -12.193 -18.861 195 H ASN 26 H ASN 26 6.767 -10.163 -15.432 196 HA ASN 26 HA ASN 26 3.795 -10.337 -15.122 197 1HB ASN 26 2HB ASN 26 6.025 -10.689 -13.108 198 2HB ASN 26 1HB ASN 26 4.355 -10.398 -12.622 199 1HD2 ASN 26 1HD2 ASN 26 6.113 -12.906 -12.393 200 2HD2 ASN 26 2HD2 ASN 26 5.183 -14.132 -13.109 201 H VAL 27 H VAL 27 5.167 -8.093 -16.303 202 HA VAL 27 HA VAL 27 4.355 -6.015 -14.343 203 HB VAL 27 HB VAL 27 7.080 -6.352 -15.554 204 1HG1 VAL 27 1HG1 VAL 27 7.276 -3.812 -14.788 205 2HG1 VAL 27 2HG1 VAL 27 5.563 -3.796 -15.204 206 3HG1 VAL 27 3HG1 VAL 27 6.762 -4.229 -16.423 207 1HG2 VAL 27 1HG2 VAL 27 6.193 -5.165 -12.912 208 2HG2 VAL 27 2HG2 VAL 27 7.801 -5.747 -13.343 209 3HG2 VAL 27 3HG2 VAL 27 6.474 -6.891 -13.141 210 H GLY 28 H GLY 28 2.594 -5.394 -15.601 211 1HA GLY 28 2HA GLY 28 2.877 -4.992 -18.487 212 2HA GLY 28 1HA GLY 28 1.433 -4.658 -17.532 213 H THR 29 H THR 29 3.362 -3.081 -19.484 214 HA THR 29 HA THR 29 3.662 -0.675 -17.737 215 HB THR 29 HB THR 29 4.980 -1.363 -20.382 216 HG1 THR 29 HG1 THR 29 6.827 -1.103 -18.772 217 1HG2 THR 29 1HG2 THR 29 4.514 1.077 -20.054 218 2HG2 THR 29 2HG2 THR 29 6.234 0.695 -20.108 219 3HG2 THR 29 3HG2 THR 29 5.450 1.012 -18.560 220 H GLY 30 H GLY 30 2.445 1.121 -18.206 221 1HA GLY 30 2HA GLY 30 1.035 1.203 -20.835 222 2HA GLY 30 1HA GLY 30 0.121 1.435 -19.344 223 H MET 31 H MET 31 2.483 2.871 -21.504 224 HA MET 31 HA MET 31 2.347 5.391 -19.904 225 1HB MET 31 2HB MET 31 4.625 4.487 -20.328 226 2HB MET 31 1HB MET 31 4.327 4.603 -22.063 227 1HG MET 31 2HG MET 31 3.723 7.104 -21.496 228 2HG MET 31 1HG MET 31 4.696 6.804 -20.055 229 1HE MET 31 1HE MET 31 6.702 7.856 -20.057 230 2HE MET 31 2HE MET 31 8.087 7.397 -21.046 231 3HE MET 31 3HE MET 31 7.266 6.179 -20.073 232 H VAL 32 H VAL 32 1.227 7.072 -20.756 233 HA VAL 32 HA VAL 32 0.686 7.060 -23.695 234 HB VAL 32 HB VAL 32 -1.595 7.562 -23.372 235 1HG1 VAL 32 1HG1 VAL 32 -0.611 5.242 -22.383 236 2HG1 VAL 32 2HG1 VAL 32 -2.333 5.619 -22.404 237 3HG1 VAL 32 3HG1 VAL 32 -1.393 5.874 -20.934 238 1HG2 VAL 32 1HG2 VAL 32 -2.243 7.883 -20.761 239 2HG2 VAL 32 2HG2 VAL 32 -1.834 9.234 -21.818 240 3HG2 VAL 32 3HG2 VAL 32 -0.611 8.551 -20.746 241 H GLY 33 H GLY 33 0.048 9.306 -24.460 242 1HA GLY 33 2HA GLY 33 1.100 11.462 -22.698 243 2HA GLY 33 1HA GLY 33 1.783 11.278 -24.314 244 H ALA 34 H ALA 34 -0.400 13.053 -22.642 245 HA ALA 34 HA ALA 34 -2.221 13.347 -24.996 246 1HB ALA 34 1HB ALA 34 -2.619 13.692 -22.042 247 2HB ALA 34 2HB ALA 34 -3.642 12.859 -23.212 248 3HB ALA 34 3HB ALA 34 -3.616 14.622 -23.160 249 HA PRO 35 HA PRO 35 0.227 17.216 -24.962 250 1HB PRO 35 2HB PRO 35 0.275 17.542 -27.666 251 2HB PRO 35 1HB PRO 35 1.404 16.482 -26.802 252 1HG PRO 35 2HG PRO 35 -0.983 15.791 -28.409 253 2HG PRO 35 1HG PRO 35 0.534 14.905 -28.194 254 1HD PRO 35 2HD PRO 35 -1.873 14.319 -26.901 255 2HD PRO 35 1HD PRO 35 -0.269 13.759 -26.382 256 H ALA 36 H ALA 36 -2.621 17.133 -24.459 257 HA ALA 36 HA ALA 36 -3.375 19.663 -25.814 258 1HB ALA 36 1HB ALA 36 -4.770 17.047 -26.085 259 2HB ALA 36 2HB ALA 36 -4.674 18.393 -27.219 260 3HB ALA 36 3HB ALA 36 -5.788 18.468 -25.855 261 H CYS 37 H CYS 37 -4.114 17.251 -23.305 262 HA CYS 37 HA CYS 37 -4.465 19.326 -21.315 263 1HB CYS 37 2HB CYS 37 -6.857 18.137 -22.653 264 2HB CYS 37 1HB CYS 37 -6.935 18.385 -20.908 265 HG CYS 37 HG CYS 37 -7.107 20.830 -21.272 266 H GLY 38 H GLY 38 -4.865 15.958 -22.289 267 1HA GLY 38 2HA GLY 38 -5.147 14.874 -19.643 268 2HA GLY 38 1HA GLY 38 -4.610 13.973 -21.061 269 H ASP 39 H ASP 39 -2.456 16.178 -21.359 270 HA ASP 39 HA ASP 39 -0.202 16.408 -20.753 271 1HB ASP 39 2HB ASP 39 -1.658 16.013 -18.201 272 2HB ASP 39 1HB ASP 39 0.075 15.689 -18.144 273 H VAL 40 H VAL 40 1.481 14.901 -19.186 274 HA VAL 40 HA VAL 40 1.458 12.340 -20.644 275 HB VAL 40 HB VAL 40 3.455 13.686 -18.814 276 1HG1 VAL 40 1HG1 VAL 40 3.709 11.374 -18.297 277 2HG1 VAL 40 2HG1 VAL 40 4.937 11.710 -19.516 278 3HG1 VAL 40 3HG1 VAL 40 3.442 10.893 -19.972 279 1HG2 VAL 40 1HG2 VAL 40 4.797 13.805 -20.829 280 2HG2 VAL 40 2HG2 VAL 40 3.194 14.436 -21.208 281 3HG2 VAL 40 3HG2 VAL 40 3.641 12.805 -21.710 282 H MET 41 H MET 41 1.154 10.332 -19.683 283 HA MET 41 HA MET 41 0.778 10.235 -16.737 284 1HB MET 41 2HB MET 41 -1.452 10.631 -17.847 285 2HB MET 41 1HB MET 41 -1.246 9.091 -18.682 286 1HG MET 41 2HG MET 41 -0.697 8.446 -16.043 287 2HG MET 41 1HG MET 41 -2.012 9.613 -15.903 288 1HE MET 41 1HE MET 41 -2.541 7.548 -14.691 289 2HE MET 41 2HE MET 41 -3.130 6.028 -15.360 290 3HE MET 41 3HE MET 41 -4.217 7.409 -15.237 291 H GLN 42 H GLN 42 1.849 8.489 -15.957 292 HA GLN 42 HA GLN 42 2.314 6.191 -17.817 293 1HB GLN 42 2HB GLN 42 4.433 7.249 -17.464 294 2HB GLN 42 1HB GLN 42 4.131 7.428 -15.735 295 1HG GLN 42 2HG GLN 42 4.233 5.024 -15.410 296 2HG GLN 42 1HG GLN 42 4.359 4.757 -17.150 297 1HE2 GLN 42 1HE2 GLN 42 6.375 5.639 -18.224 298 2HE2 GLN 42 2HE2 GLN 42 7.800 5.765 -17.310 299 H LEU 43 H LEU 43 1.069 4.512 -17.124 300 HA LEU 43 HA LEU 43 0.840 4.096 -14.169 301 1HB LEU 43 2HB LEU 43 -1.321 4.760 -15.048 302 2HB LEU 43 1HB LEU 43 -1.204 3.569 -16.344 303 HG LEU 43 HG LEU 43 -0.801 2.309 -13.763 304 1HD1 LEU 43 1HD1 LEU 43 -3.223 4.061 -14.141 305 2HD1 LEU 43 2HD1 LEU 43 -2.199 3.889 -12.716 306 3HD1 LEU 43 3HD1 LEU 43 -3.313 2.597 -13.163 307 1HD2 LEU 43 1HD2 LEU 43 -2.526 0.815 -14.612 308 2HD2 LEU 43 2HD2 LEU 43 -1.438 1.226 -15.938 309 3HD2 LEU 43 3HD2 LEU 43 -3.015 2.007 -15.817 310 H GLN 44 H GLN 44 2.228 2.427 -13.753 311 HA GLN 44 HA GLN 44 2.193 0.095 -15.622 312 1HB GLN 44 2HB GLN 44 4.431 0.828 -15.480 313 2HB GLN 44 1HB GLN 44 4.293 1.197 -13.760 314 1HG GLN 44 2HG GLN 44 4.424 -1.053 -13.132 315 2HG GLN 44 1HG GLN 44 3.909 -1.627 -14.718 316 1HE2 GLN 44 1HE2 GLN 44 5.527 -1.884 -16.364 317 2HE2 GLN 44 2HE2 GLN 44 7.184 -1.663 -16.062 318 H ILE 45 H ILE 45 1.314 -1.780 -14.850 319 HA ILE 45 HA ILE 45 0.723 -1.894 -11.922 320 HB ILE 45 HB ILE 45 -1.020 -3.603 -12.648 321 1HG1 ILE 45 2HG1 ILE 45 -1.097 -2.479 -15.360 322 2HG1 ILE 45 1HG1 ILE 45 0.339 -3.458 -15.058 323 1HG2 ILE 45 1HG2 ILE 45 -2.604 -1.875 -13.369 324 2HG2 ILE 45 2HG2 ILE 45 -1.268 -0.801 -13.785 325 3HG2 ILE 45 3HG2 ILE 45 -1.556 -1.240 -12.102 326 1HD1 ILE 45 1HD1 ILE 45 -2.516 -4.336 -14.531 327 2HD1 ILE 45 2HD1 ILE 45 -1.071 -5.313 -14.273 328 3HD1 ILE 45 3HD1 ILE 45 -1.534 -4.838 -15.907 329 H LYS 46 H LYS 46 1.267 -3.771 -10.772 330 HA LYS 46 HA LYS 46 3.108 -5.632 -12.217 331 1HB LYS 46 2HB LYS 46 4.202 -4.437 -10.396 332 2HB LYS 46 1HB LYS 46 2.924 -4.909 -9.276 333 1HG LYS 46 2HG LYS 46 3.523 -7.265 -9.527 334 2HG LYS 46 1HG LYS 46 4.742 -6.851 -10.731 335 1HD LYS 46 2HD LYS 46 6.230 -6.601 -9.063 336 2HD LYS 46 1HD LYS 46 5.290 -5.223 -8.491 337 1HE LYS 46 2HE LYS 46 4.009 -6.584 -7.008 338 2HE LYS 46 1HE LYS 46 4.582 -8.071 -7.765 339 1HZ LYS 46 1HZ LYS 46 5.681 -7.501 -5.622 340 2HZ LYS 46 2HZ LYS 46 6.363 -6.143 -6.383 341 3HZ LYS 46 3HZ LYS 46 6.752 -7.707 -6.921 342 H VAL 47 H VAL 47 2.672 -7.830 -12.166 343 HA VAL 47 HA VAL 47 0.161 -8.631 -10.750 344 HB VAL 47 HB VAL 47 1.429 -9.734 -13.275 345 1HG1 VAL 47 1HG1 VAL 47 -0.623 -10.805 -11.407 346 2HG1 VAL 47 2HG1 VAL 47 0.479 -11.666 -12.484 347 3HG1 VAL 47 3HG1 VAL 47 -0.990 -10.931 -13.127 348 1HG2 VAL 47 1HG2 VAL 47 -0.005 -8.386 -14.386 349 2HG2 VAL 47 2HG2 VAL 47 -0.335 -7.586 -12.850 350 3HG2 VAL 47 3HG2 VAL 47 -1.360 -8.916 -13.390 351 H ASP 48 H ASP 48 0.171 -10.699 -9.688 352 HA ASP 48 HA ASP 48 2.799 -11.436 -8.621 353 1HB ASP 48 2HB ASP 48 0.510 -11.378 -7.366 354 2HB ASP 48 1HB ASP 48 0.259 -12.964 -8.098 355 H ASP 49 H ASP 49 0.236 -13.088 -10.484 356 HA ASP 49 HA ASP 49 1.793 -14.398 -12.345 357 1HB ASP 49 2HB ASP 49 1.909 -16.729 -11.075 358 2HB ASP 49 1HB ASP 49 3.204 -15.544 -10.899 359 H ASN 50 H ASN 50 -0.891 -14.481 -10.155 360 HA ASN 50 HA ASN 50 -2.325 -16.421 -11.905 361 1HB ASN 50 2HB ASN 50 -4.067 -16.272 -10.029 362 2HB ASN 50 1HB ASN 50 -2.533 -17.033 -9.611 363 1HD2 ASN 50 1HD2 ASN 50 -3.835 -16.069 -7.438 364 2HD2 ASN 50 2HD2 ASN 50 -3.173 -14.600 -6.904 365 H GLY 51 H GLY 51 -1.739 -13.517 -12.519 366 1HA GLY 51 2HA GLY 51 -2.946 -11.914 -13.771 367 2HA GLY 51 1HA GLY 51 -4.411 -12.859 -13.496 368 H ILE 52 H ILE 52 -3.166 -12.590 -10.507 369 HA ILE 52 HA ILE 52 -5.032 -10.449 -9.788 370 HB ILE 52 HB ILE 52 -3.091 -12.059 -8.101 371 1HG1 ILE 52 2HG1 ILE 52 -4.847 -13.435 -9.112 372 2HG1 ILE 52 1HG1 ILE 52 -5.178 -13.229 -7.391 373 1HG2 ILE 52 1HG2 ILE 52 -3.565 -10.014 -6.940 374 2HG2 ILE 52 2HG2 ILE 52 -4.624 -11.238 -6.237 375 3HG2 ILE 52 3HG2 ILE 52 -5.266 -10.074 -7.397 376 1HD1 ILE 52 1HD1 ILE 52 -7.266 -12.742 -8.293 377 2HD1 ILE 52 2HD1 ILE 52 -6.583 -12.019 -9.749 378 3HD1 ILE 52 3HD1 ILE 52 -6.552 -11.131 -8.225 379 H ILE 53 H ILE 53 -4.441 -8.414 -8.927 380 HA ILE 53 HA ILE 53 -1.707 -7.538 -9.673 381 HB ILE 53 HB ILE 53 -4.157 -5.960 -8.833 382 1HG1 ILE 53 2HG1 ILE 53 -2.807 -6.159 -11.541 383 2HG1 ILE 53 1HG1 ILE 53 -4.206 -7.132 -11.082 384 1HG2 ILE 53 1HG2 ILE 53 -1.412 -5.227 -8.822 385 2HG2 ILE 53 2HG2 ILE 53 -2.809 -4.172 -8.607 386 3HG2 ILE 53 3HG2 ILE 53 -2.145 -4.439 -10.219 387 1HD1 ILE 53 1HD1 ILE 53 -5.187 -4.752 -10.399 388 2HD1 ILE 53 2HD1 ILE 53 -5.291 -5.339 -12.058 389 3HD1 ILE 53 3HD1 ILE 53 -4.029 -4.193 -11.605 390 H GLU 54 H GLU 54 -0.252 -7.865 -8.042 391 HA GLU 54 HA GLU 54 -1.045 -7.812 -5.236 392 1HB GLU 54 2HB GLU 54 1.022 -8.980 -6.586 393 2HB GLU 54 1HB GLU 54 1.830 -7.569 -5.901 394 1HG GLU 54 2HG GLU 54 0.164 -9.558 -4.330 395 2HG GLU 54 1HG GLU 54 1.927 -9.512 -4.363 396 H ASP 55 H ASP 55 0.826 -5.681 -7.394 397 HA ASP 55 HA ASP 55 0.262 -3.450 -5.502 398 1HB ASP 55 2HB ASP 55 2.630 -4.406 -5.235 399 2HB ASP 55 1HB ASP 55 2.949 -3.773 -6.851 400 H ALA 56 H ALA 56 0.588 -1.298 -6.610 401 HA ALA 56 HA ALA 56 0.335 -1.499 -9.575 402 1HB ALA 56 1HB ALA 56 -1.386 0.463 -8.111 403 2HB ALA 56 2HB ALA 56 -1.895 -1.224 -8.151 404 3HB ALA 56 3HB ALA 56 -1.667 -0.336 -9.658 405 H LYS 57 H LYS 57 1.889 -0.222 -10.429 406 HA LYS 57 HA LYS 57 2.951 2.026 -8.807 407 1HB LYS 57 2HB LYS 57 4.474 0.318 -9.916 408 2HB LYS 57 1HB LYS 57 3.980 1.003 -11.465 409 1HG LYS 57 2HG LYS 57 5.672 2.479 -11.173 410 2HG LYS 57 1HG LYS 57 4.625 3.248 -9.979 411 1HD LYS 57 2HD LYS 57 5.578 1.711 -8.240 412 2HD LYS 57 1HD LYS 57 6.718 1.121 -9.450 413 1HE LYS 57 2HE LYS 57 7.859 3.154 -9.562 414 2HE LYS 57 1HE LYS 57 6.483 4.074 -8.952 415 1HZ LYS 57 1HZ LYS 57 8.621 2.977 -7.508 416 2HZ LYS 57 2HZ LYS 57 7.196 2.197 -7.012 417 3HZ LYS 57 3HZ LYS 57 7.316 3.890 -6.926 418 H PHE 58 H PHE 58 2.570 4.141 -9.361 419 HA PHE 58 HA PHE 58 1.402 4.698 -12.048 420 1HB PHE 58 2HB PHE 58 -0.299 6.134 -11.075 421 2HB PHE 58 1HB PHE 58 -0.420 4.543 -10.323 422 HD1 PHE 58 HD1 PHE 58 1.048 4.209 -8.149 423 HD2 PHE 58 HD2 PHE 58 -0.178 8.020 -9.705 424 HE1 PHE 58 HE1 PHE 58 1.405 5.234 -5.919 425 HE2 PHE 58 HE2 PHE 58 0.178 9.045 -7.474 426 HZ PHE 58 HZ PHE 58 0.970 7.653 -5.582 427 H LYS 59 H LYS 59 1.440 7.157 -12.457 428 HA LYS 59 HA LYS 59 3.197 8.819 -10.892 429 1HB LYS 59 2HB LYS 59 4.765 7.093 -12.027 430 2HB LYS 59 1HB LYS 59 4.415 7.969 -13.517 431 1HG LYS 59 2HG LYS 59 5.089 10.093 -12.300 432 2HG LYS 59 1HG LYS 59 5.676 9.064 -10.992 433 1HD LYS 59 2HD LYS 59 6.917 7.828 -12.997 434 2HD LYS 59 1HD LYS 59 6.750 9.408 -13.762 435 1HE LYS 59 2HE LYS 59 7.756 10.425 -11.678 436 2HE LYS 59 1HE LYS 59 8.106 8.786 -11.128 437 1HZ LYS 59 1HZ LYS 59 9.273 8.488 -13.324 438 2HZ LYS 59 2HZ LYS 59 10.031 9.528 -12.216 439 3HZ LYS 59 3HZ LYS 59 9.158 10.168 -13.525 440 H THR 60 H THR 60 1.878 10.573 -11.231 441 HA THR 60 HA THR 60 1.015 11.201 -14.003 442 HB THR 60 HB THR 60 -0.348 12.987 -12.837 443 HG1 THR 60 HG1 THR 60 0.901 13.177 -10.978 444 1HG2 THR 60 1HG2 THR 60 -2.024 11.457 -12.110 445 2HG2 THR 60 2HG2 THR 60 -0.826 10.237 -11.681 446 3HG2 THR 60 3HG2 THR 60 -1.131 10.614 -13.376 447 H TYR 61 H TYR 61 1.579 13.202 -14.992 448 HA TYR 61 HA TYR 61 3.276 15.122 -13.590 449 1HB TYR 61 2HB TYR 61 4.705 13.041 -14.398 450 2HB TYR 61 1HB TYR 61 4.597 13.850 -15.961 451 HD1 TYR 61 HD1 TYR 61 5.566 14.370 -12.396 452 HD2 TYR 61 HD2 TYR 61 5.936 15.739 -16.450 453 HE1 TYR 61 HE1 TYR 61 7.343 15.954 -11.699 454 HE2 TYR 61 HE2 TYR 61 7.712 17.324 -15.754 455 HH TYR 61 HH TYR 61 8.237 18.273 -12.709 456 H GLY 62 H GLY 62 2.313 16.950 -14.356 457 1HA GLY 62 2HA GLY 62 2.490 18.387 -16.491 458 2HA GLY 62 1HA GLY 62 1.632 17.055 -17.264 459 H CYS 63 H CYS 63 -0.199 16.455 -15.178 460 HA CYS 63 HA CYS 63 -1.930 18.878 -15.350 461 1HB CYS 63 2HB CYS 63 -2.918 16.879 -16.325 462 2HB CYS 63 1HB CYS 63 -2.605 15.963 -14.850 463 HG CYS 63 HG CYS 63 -4.740 18.226 -15.108 464 H GLY 64 H GLY 64 -2.134 20.057 -13.518 465 1HA GLY 64 2HA GLY 64 -1.369 18.821 -10.930 466 2HA GLY 64 1HA GLY 64 -1.567 20.550 -11.223 467 H SER 65 H SER 65 -3.755 17.816 -11.905 468 HA SER 65 HA SER 65 -5.615 18.670 -9.807 469 1HB SER 65 2HB SER 65 -6.112 19.215 -12.725 470 2HB SER 65 1HB SER 65 -7.463 18.887 -11.643 471 HG SER 65 HG SER 65 -5.635 20.649 -10.621 472 H ALA 66 H ALA 66 -4.409 16.441 -12.075 473 HA ALA 66 HA ALA 66 -6.686 14.578 -11.784 474 1HB ALA 66 1HB ALA 66 -4.053 14.373 -13.273 475 2HB ALA 66 2HB ALA 66 -5.647 14.661 -13.973 476 3HB ALA 66 3HB ALA 66 -5.273 13.098 -13.247 477 H ILE 67 H ILE 67 -3.811 15.345 -10.146 478 HA ILE 67 HA ILE 67 -2.765 12.911 -9.273 479 HB ILE 67 HB ILE 67 -3.085 15.600 -7.997 480 1HG1 ILE 67 2HG1 ILE 67 -0.554 15.191 -7.775 481 2HG1 ILE 67 1HG1 ILE 67 -0.813 13.757 -8.769 482 1HG2 ILE 67 1HG2 ILE 67 -3.509 14.306 -6.058 483 2HG2 ILE 67 2HG2 ILE 67 -1.772 14.604 -6.010 484 3HG2 ILE 67 3HG2 ILE 67 -2.385 13.042 -6.554 485 1HD1 ILE 67 1HD1 ILE 67 -0.683 16.544 -9.575 486 2HD1 ILE 67 2HD1 ILE 67 -2.198 15.805 -10.092 487 3HD1 ILE 67 3HD1 ILE 67 -0.660 15.093 -10.577 488 H ALA 68 H ALA 68 -5.790 14.458 -8.333 489 HA ALA 68 HA ALA 68 -6.351 12.689 -6.120 490 1HB ALA 68 1HB ALA 68 -8.559 13.633 -6.153 491 2HB ALA 68 2HB ALA 68 -8.383 14.141 -7.833 492 3HB ALA 68 3HB ALA 68 -7.450 14.940 -6.567 493 H SER 69 H SER 69 -7.225 12.671 -9.571 494 HA SER 69 HA SER 69 -8.887 10.326 -9.422 495 1HB SER 69 2HB SER 69 -8.424 10.214 -11.918 496 2HB SER 69 1HB SER 69 -9.086 11.746 -11.352 497 HG SER 69 HG SER 69 -7.316 12.142 -12.674 498 H SER 70 H SER 70 -5.613 10.627 -10.858 499 HA SER 70 HA SER 70 -4.945 7.997 -11.218 500 1HB SER 70 2HB SER 70 -3.137 9.320 -11.724 501 2HB SER 70 1HB SER 70 -3.392 10.378 -10.338 502 HG SER 70 HG SER 70 -2.582 7.691 -10.028 503 H SER 71 H SER 71 -5.483 9.578 -8.153 504 HA SER 71 HA SER 71 -4.290 7.446 -6.556 505 1HB SER 71 2HB SER 71 -4.624 9.899 -5.851 506 2HB SER 71 1HB SER 71 -6.313 9.472 -5.591 507 HG SER 71 HG SER 71 -5.102 7.584 -4.409 508 H LEU 72 H LEU 72 -7.607 8.430 -7.430 509 HA LEU 72 HA LEU 72 -8.956 6.396 -5.958 510 1HB LEU 72 2HB LEU 72 -10.122 8.329 -6.961 511 2HB LEU 72 1HB LEU 72 -9.767 7.706 -8.573 512 HG LEU 72 HG LEU 72 -10.969 5.557 -7.824 513 1HD1 LEU 72 1HD1 LEU 72 -11.044 5.901 -5.447 514 2HD1 LEU 72 2HD1 LEU 72 -12.703 6.036 -6.029 515 3HD1 LEU 72 3HD1 LEU 72 -11.784 7.490 -5.639 516 1HD2 LEU 72 1HD2 LEU 72 -11.857 7.480 -9.310 517 2HD2 LEU 72 2HD2 LEU 72 -12.758 7.990 -7.882 518 3HD2 LEU 72 3HD2 LEU 72 -13.048 6.400 -8.587 519 H ILE 73 H ILE 73 -7.985 6.445 -9.406 520 HA ILE 73 HA ILE 73 -8.817 3.799 -10.004 521 HB ILE 73 HB ILE 73 -8.082 5.553 -11.667 522 1HG1 ILE 73 2HG1 ILE 73 -6.372 3.236 -12.318 523 2HG1 ILE 73 1HG1 ILE 73 -8.013 2.814 -11.829 524 1HG2 ILE 73 1HG2 ILE 73 -5.279 4.587 -11.147 525 2HG2 ILE 73 2HG2 ILE 73 -5.926 5.956 -10.246 526 3HG2 ILE 73 3HG2 ILE 73 -5.811 6.033 -12.004 527 1HD1 ILE 73 1HD1 ILE 73 -7.848 3.183 -14.278 528 2HD1 ILE 73 2HD1 ILE 73 -7.307 4.834 -13.978 529 3HD1 ILE 73 3HD1 ILE 73 -8.935 4.341 -13.511 530 H THR 74 H THR 74 -5.720 5.011 -8.727 531 HA THR 74 HA THR 74 -4.400 2.455 -8.756 532 HB THR 74 HB THR 74 -3.054 3.668 -6.816 533 HG1 THR 74 HG1 THR 74 -4.673 5.286 -6.584 534 1HG2 THR 74 1HG2 THR 74 -3.130 4.117 -9.762 535 2HG2 THR 74 2HG2 THR 74 -1.842 3.451 -8.758 536 3HG2 THR 74 3HG2 THR 74 -2.113 5.193 -8.804 537 H GLU 75 H GLU 75 -6.820 3.818 -6.707 538 HA GLU 75 HA GLU 75 -6.231 1.934 -4.501 539 1HB GLU 75 2HB GLU 75 -8.170 4.207 -4.893 540 2HB GLU 75 1HB GLU 75 -8.411 3.042 -3.590 541 1HG GLU 75 2HG GLU 75 -5.734 4.367 -3.984 542 2HG GLU 75 1HG GLU 75 -7.016 5.178 -3.083 543 H TRP 76 H TRP 76 -8.132 2.101 -7.352 544 HA TRP 76 HA TRP 76 -10.017 0.027 -6.357 545 1HB TRP 76 2HB TRP 76 -9.955 1.807 -8.792 546 2HB TRP 76 1HB TRP 76 -11.009 0.394 -8.724 547 HD1 TRP 76 HD1 TRP 76 -10.328 2.272 -5.517 548 HE1 TRP 76 HE1 TRP 76 -12.474 3.488 -4.766 549 HE3 TRP 76 HE3 TRP 76 -13.239 1.556 -9.650 550 HZ2 TRP 76 HZ2 TRP 76 -15.082 4.077 -5.783 551 HZ3 TRP 76 HZ3 TRP 76 -15.548 2.453 -9.732 552 HH2 TRP 76 HH2 TRP 76 -16.472 3.712 -7.806 553 H VAL 77 H VAL 77 -7.139 0.376 -8.204 554 HA VAL 77 HA VAL 77 -7.544 -2.327 -9.409 555 HB VAL 77 HB VAL 77 -5.667 -1.700 -10.921 556 1HG1 VAL 77 1HG1 VAL 77 -7.401 -1.055 -12.209 557 2HG1 VAL 77 2HG1 VAL 77 -7.162 0.584 -11.604 558 3HG1 VAL 77 3HG1 VAL 77 -8.305 -0.494 -10.802 559 1HG2 VAL 77 1HG2 VAL 77 -5.502 1.050 -10.700 560 2HG2 VAL 77 2HG2 VAL 77 -4.297 -0.088 -10.098 561 3HG2 VAL 77 3HG2 VAL 77 -5.543 0.533 -9.014 562 H LYS 78 H LYS 78 -6.896 -2.100 -6.648 563 HA LYS 78 HA LYS 78 -4.063 -3.067 -6.658 564 1HB LYS 78 2HB LYS 78 -5.550 -1.277 -4.813 565 2HB LYS 78 1HB LYS 78 -4.504 -2.474 -4.047 566 1HG LYS 78 2HG LYS 78 -2.660 -1.714 -5.614 567 2HG LYS 78 1HG LYS 78 -3.715 -0.383 -6.090 568 1HD LYS 78 2HD LYS 78 -3.811 0.416 -3.785 569 2HD LYS 78 1HD LYS 78 -2.852 -0.961 -3.241 570 1HE LYS 78 2HE LYS 78 -1.935 1.198 -5.164 571 2HE LYS 78 1HE LYS 78 -1.419 1.017 -3.487 572 1HZ LYS 78 1HZ LYS 78 -0.431 -0.280 -5.790 573 2HZ LYS 78 2HZ LYS 78 -1.039 -1.440 -4.707 574 3HZ LYS 78 3HZ LYS 78 0.155 -0.343 -4.199 575 H GLY 79 H GLY 79 -4.511 -5.270 -6.914 576 1HA GLY 79 2HA GLY 79 -4.712 -7.317 -5.563 577 2HA GLY 79 1HA GLY 79 -5.997 -6.525 -4.648 578 H LYS 80 H LYS 80 -7.154 -5.408 -7.184 579 HA LYS 80 HA LYS 80 -9.082 -7.435 -7.696 580 1HB LYS 80 2HB LYS 80 -8.284 -5.165 -9.544 581 2HB LYS 80 1HB LYS 80 -9.823 -6.027 -9.541 582 1HG LYS 80 2HG LYS 80 -9.753 -5.255 -6.957 583 2HG LYS 80 1HG LYS 80 -8.817 -3.943 -7.673 584 1HD LYS 80 2HD LYS 80 -11.022 -3.150 -7.833 585 2HD LYS 80 1HD LYS 80 -10.739 -3.844 -9.430 586 1HE LYS 80 2HE LYS 80 -11.963 -5.816 -8.903 587 2HE LYS 80 1HE LYS 80 -11.957 -5.450 -7.178 588 1HZ LYS 80 1HZ LYS 80 -13.720 -4.512 -9.243 589 2HZ LYS 80 2HZ LYS 80 -13.109 -3.260 -8.270 590 3HZ LYS 80 3HZ LYS 80 -13.948 -4.557 -7.563 591 H SER 81 H SER 81 -9.198 -7.551 -10.545 592 HA SER 81 HA SER 81 -6.701 -9.054 -11.205 593 1HB SER 81 2HB SER 81 -9.044 -10.308 -10.631 594 2HB SER 81 1HB SER 81 -9.236 -10.060 -12.364 595 HG SER 81 HG SER 81 -6.748 -10.937 -11.524 596 H LEU 82 H LEU 82 -6.499 -9.394 -13.627 597 HA LEU 82 HA LEU 82 -6.658 -6.930 -15.021 598 1HB LEU 82 2HB LEU 82 -6.435 -9.776 -16.032 599 2HB LEU 82 1HB LEU 82 -6.297 -8.365 -17.081 600 HG LEU 82 HG LEU 82 -4.623 -8.491 -14.597 601 1HD1 LEU 82 1HD1 LEU 82 -2.866 -9.523 -16.278 602 2HD1 LEU 82 2HD1 LEU 82 -4.308 -10.155 -17.073 603 3HD1 LEU 82 3HD1 LEU 82 -3.970 -10.577 -15.395 604 1HD2 LEU 82 1HD2 LEU 82 -3.206 -7.034 -15.821 605 2HD2 LEU 82 2HD2 LEU 82 -4.835 -6.511 -16.246 606 3HD2 LEU 82 3HD2 LEU 82 -3.910 -7.513 -17.365 607 H GLU 83 H GLU 83 -8.862 -9.726 -15.036 608 HA GLU 83 HA GLU 83 -10.606 -8.985 -17.091 609 1HB GLU 83 2HB GLU 83 -10.731 -11.056 -15.611 610 2HB GLU 83 1HB GLU 83 -11.548 -10.046 -14.418 611 1HG GLU 83 2HG GLU 83 -12.750 -9.622 -17.000 612 2HG GLU 83 1HG GLU 83 -12.704 -11.352 -16.655 613 H GLU 84 H GLU 84 -10.138 -7.470 -13.991 614 HA GLU 84 HA GLU 84 -12.613 -5.876 -14.250 615 1HB GLU 84 2HB GLU 84 -10.405 -5.830 -12.168 616 2HB GLU 84 1HB GLU 84 -11.897 -4.891 -12.085 617 1HG GLU 84 2HG GLU 84 -11.760 -7.917 -12.234 618 2HG GLU 84 1HG GLU 84 -12.049 -6.990 -10.762 619 H ALA 85 H ALA 85 -9.083 -5.306 -14.134 620 HA ALA 85 HA ALA 85 -9.218 -2.502 -14.649 621 1HB ALA 85 1HB ALA 85 -6.850 -3.325 -15.827 622 2HB ALA 85 2HB ALA 85 -7.155 -4.587 -14.633 623 3HB ALA 85 3HB ALA 85 -7.050 -2.901 -14.126 624 H GLY 86 H GLY 86 -9.804 -5.208 -16.678 625 1HA GLY 86 2HA GLY 86 -9.444 -3.558 -19.133 626 2HA GLY 86 1HA GLY 86 -9.627 -5.313 -19.108 627 H ALA 87 H ALA 87 -11.654 -3.202 -17.179 628 HA ALA 87 HA ALA 87 -13.872 -3.395 -19.128 629 1HB ALA 87 1HB ALA 87 -15.120 -4.127 -16.756 630 2HB ALA 87 2HB ALA 87 -13.623 -5.060 -16.731 631 3HB ALA 87 3HB ALA 87 -14.736 -5.215 -18.091 632 H ILE 88 H ILE 88 -12.629 -2.261 -16.026 633 HA ILE 88 HA ILE 88 -14.547 -0.509 -15.118 634 HB ILE 88 HB ILE 88 -12.517 1.062 -14.632 635 1HG1 ILE 88 2HG1 ILE 88 -10.970 -1.407 -15.408 636 2HG1 ILE 88 1HG1 ILE 88 -11.251 -0.117 -16.576 637 1HG2 ILE 88 1HG2 ILE 88 -13.471 -0.475 -12.976 638 2HG2 ILE 88 2HG2 ILE 88 -11.710 -0.517 -12.888 639 3HG2 ILE 88 3HG2 ILE 88 -12.584 -1.821 -13.691 640 1HD1 ILE 88 1HD1 ILE 88 -10.251 0.673 -13.879 641 2HD1 ILE 88 2HD1 ILE 88 -9.908 1.383 -15.456 642 3HD1 ILE 88 3HD1 ILE 88 -9.110 -0.112 -14.971 643 H LYS 89 H LYS 89 -14.485 1.997 -15.408 644 HA LYS 89 HA LYS 89 -14.014 2.736 -18.255 645 1HB LYS 89 2HB LYS 89 -16.568 3.358 -16.739 646 2HB LYS 89 1HB LYS 89 -16.207 3.796 -18.409 647 1HG LYS 89 2HG LYS 89 -15.744 1.062 -18.365 648 2HG LYS 89 1HG LYS 89 -17.153 1.247 -17.318 649 1HD LYS 89 2HD LYS 89 -18.097 2.764 -19.191 650 2HD LYS 89 1HD LYS 89 -16.847 2.050 -20.211 651 1HE LYS 89 2HE LYS 89 -17.709 -0.221 -19.559 652 2HE LYS 89 1HE LYS 89 -19.044 0.578 -18.729 653 1HZ LYS 89 1HZ LYS 89 -19.465 -0.156 -21.089 654 2HZ LYS 89 2HZ LYS 89 -18.417 1.089 -21.577 655 3HZ LYS 89 3HZ LYS 89 -19.845 1.458 -20.733 656 H ASN 90 H ASN 90 -14.202 5.207 -18.490 657 HA ASN 90 HA ASN 90 -12.926 6.438 -16.097 658 1HB ASN 90 2HB ASN 90 -12.237 8.225 -17.722 659 2HB ASN 90 1HB ASN 90 -11.617 6.626 -18.135 660 1HD2 ASN 90 1HD2 ASN 90 -14.519 8.673 -18.815 661 2HD2 ASN 90 2HD2 ASN 90 -14.666 8.179 -20.431 662 H SER 91 H SER 91 -15.661 6.772 -18.299 663 HA SER 91 HA SER 91 -16.576 9.338 -17.650 664 1HB SER 91 2HB SER 91 -18.439 8.704 -18.776 665 2HB SER 91 1HB SER 91 -17.597 7.179 -19.041 666 HG SER 91 HG SER 91 -18.582 6.373 -17.178 667 H GLN 92 H GLN 92 -16.762 6.374 -15.742 668 HA GLN 92 HA GLN 92 -18.556 7.479 -13.746 669 1HB GLN 92 2HB GLN 92 -16.943 5.001 -14.073 670 2HB GLN 92 1HB GLN 92 -17.333 5.473 -12.417 671 1HG GLN 92 2HG GLN 92 -19.615 5.219 -12.733 672 2HG GLN 92 1HG GLN 92 -19.516 5.537 -14.466 673 1HE2 GLN 92 1HE2 GLN 92 -20.892 3.232 -13.394 674 2HE2 GLN 92 2HE2 GLN 92 -20.045 1.845 -13.888 675 H ILE 93 H ILE 93 -15.073 6.633 -13.561 676 HA ILE 93 HA ILE 93 -14.466 7.788 -11.109 677 HB ILE 93 HB ILE 93 -12.848 7.729 -13.666 678 1HG1 ILE 93 2HG1 ILE 93 -12.308 6.207 -11.128 679 2HG1 ILE 93 1HG1 ILE 93 -13.557 5.637 -12.235 680 1HG2 ILE 93 1HG2 ILE 93 -10.987 8.023 -11.728 681 2HG2 ILE 93 2HG2 ILE 93 -12.286 8.992 -11.033 682 3HG2 ILE 93 3HG2 ILE 93 -11.649 9.388 -12.629 683 1HD1 ILE 93 1HD1 ILE 93 -11.571 4.527 -12.926 684 2HD1 ILE 93 2HD1 ILE 93 -10.607 5.996 -12.780 685 3HD1 ILE 93 3HD1 ILE 93 -11.786 5.841 -14.083 686 H ALA 94 H ALA 94 -14.738 9.457 -14.245 687 HA ALA 94 HA ALA 94 -14.016 12.050 -13.233 688 1HB ALA 94 1HB ALA 94 -15.611 12.648 -15.345 689 2HB ALA 94 2HB ALA 94 -15.242 10.962 -15.708 690 3HB ALA 94 3HB ALA 94 -13.934 12.130 -15.521 691 H GLU 95 H GLU 95 -17.179 10.489 -13.801 692 HA GLU 95 HA GLU 95 -18.838 12.625 -13.000 693 1HB GLU 95 2HB GLU 95 -19.615 10.434 -13.964 694 2HB GLU 95 1HB GLU 95 -19.317 9.694 -12.391 695 1HG GLU 95 2HG GLU 95 -21.004 10.966 -11.337 696 2HG GLU 95 1HG GLU 95 -21.063 12.139 -12.652 697 H GLU 96 H GLU 96 -17.110 10.232 -11.033 698 HA GLU 96 HA GLU 96 -18.285 11.016 -8.524 699 1HB GLU 96 2HB GLU 96 -16.603 8.997 -9.334 700 2HB GLU 96 1HB GLU 96 -15.509 10.036 -8.421 701 1HG GLU 96 2HG GLU 96 -16.536 8.405 -6.915 702 2HG GLU 96 1HG GLU 96 -17.123 10.023 -6.525 703 H LEU 97 H LEU 97 -15.269 11.964 -10.184 704 HA LEU 97 HA LEU 97 -14.506 13.836 -8.099 705 1HB LEU 97 2HB LEU 97 -13.564 13.246 -10.892 706 2HB LEU 97 1HB LEU 97 -13.018 14.714 -10.081 707 HG LEU 97 HG LEU 97 -12.888 12.251 -8.446 708 1HD1 LEU 97 1HD1 LEU 97 -12.147 11.250 -10.495 709 2HD1 LEU 97 2HD1 LEU 97 -10.692 11.636 -9.578 710 3HD1 LEU 97 3HD1 LEU 97 -11.190 12.670 -10.917 711 1HD2 LEU 97 1HD2 LEU 97 -12.046 14.508 -7.756 712 2HD2 LEU 97 2HD2 LEU 97 -10.869 14.431 -9.067 713 3HD2 LEU 97 3HD2 LEU 97 -10.788 13.273 -7.740 714 H GLU 98 H GLU 98 -16.768 13.900 -10.658 715 HA GLU 98 HA GLU 98 -18.040 15.639 -11.601 716 1HB GLU 98 2HB GLU 98 -18.550 15.716 -9.072 717 2HB GLU 98 1HB GLU 98 -17.476 17.116 -9.028 718 1HG GLU 98 2HG GLU 98 -19.155 17.571 -11.228 719 2HG GLU 98 1HG GLU 98 -20.219 16.941 -9.970 720 H LEU 99 H LEU 99 -15.157 15.701 -12.111 721 HA LEU 99 HA LEU 99 -14.251 18.449 -11.870 722 1HB LEU 99 2HB LEU 99 -12.359 17.734 -13.218 723 2HB LEU 99 1HB LEU 99 -12.717 16.472 -12.039 724 HG LEU 99 HG LEU 99 -14.332 15.782 -14.179 725 1HD1 LEU 99 1HD1 LEU 99 -13.238 16.129 -16.192 726 2HD1 LEU 99 2HD1 LEU 99 -11.657 16.282 -15.426 727 3HD1 LEU 99 3HD1 LEU 99 -12.805 17.618 -15.353 728 1HD2 LEU 99 1HD2 LEU 99 -11.493 14.860 -13.621 729 2HD2 LEU 99 2HD2 LEU 99 -12.733 13.945 -14.479 730 3HD2 LEU 99 3HD2 LEU 99 -12.927 14.296 -12.761 731 HA PRO 100 HA PRO 100 -16.544 20.395 -15.146 732 1HB PRO 100 2HB PRO 100 -13.859 21.537 -15.825 733 2HB PRO 100 1HB PRO 100 -15.418 22.362 -15.632 734 1HG PRO 100 2HG PRO 100 -13.524 22.416 -13.736 735 2HG PRO 100 1HG PRO 100 -15.253 22.436 -13.358 736 1HD PRO 100 2HD PRO 100 -13.285 20.272 -12.940 737 2HD PRO 100 1HD PRO 100 -14.869 20.520 -12.174 738 HA PRO 101 HA PRO 101 -15.717 17.937 -18.733 739 1HB PRO 101 2HB PRO 101 -16.881 19.484 -20.670 740 2HB PRO 101 1HB PRO 101 -17.804 18.521 -19.501 741 1HG PRO 101 2HG PRO 101 -17.233 21.437 -19.522 742 2HG PRO 101 1HG PRO 101 -18.697 20.574 -19.026 743 1HD PRO 101 2HD PRO 101 -16.853 21.576 -17.246 744 2HD PRO 101 1HD PRO 101 -17.908 20.190 -16.893 745 H VAL 102 H VAL 102 -14.366 21.061 -18.382 746 HA VAL 102 HA VAL 102 -12.952 21.065 -20.955 747 HB VAL 102 HB VAL 102 -12.317 22.784 -18.550 748 1HG1 VAL 102 1HG1 VAL 102 -10.937 22.653 -20.778 749 2HG1 VAL 102 2HG1 VAL 102 -11.330 24.233 -20.100 750 3HG1 VAL 102 3HG1 VAL 102 -12.272 23.593 -21.447 751 1HG2 VAL 102 1HG2 VAL 102 -13.999 24.369 -19.344 752 2HG2 VAL 102 2HG2 VAL 102 -14.774 22.819 -19.019 753 3HG2 VAL 102 3HG2 VAL 102 -14.419 23.296 -20.679 754 H LYS 103 H LYS 103 -12.507 18.700 -19.425 755 HA LYS 103 HA LYS 103 -9.655 18.535 -19.518 756 1HB LYS 103 2HB LYS 103 -10.085 19.927 -17.380 757 2HB LYS 103 1HB LYS 103 -10.699 18.426 -16.686 758 1HG LYS 103 2HG LYS 103 -8.617 17.369 -16.784 759 2HG LYS 103 1HG LYS 103 -8.023 18.439 -18.054 760 1HD LYS 103 2HD LYS 103 -8.731 19.925 -15.650 761 2HD LYS 103 1HD LYS 103 -7.517 18.690 -15.317 762 1HE LYS 103 2HE LYS 103 -6.053 19.556 -17.019 763 2HE LYS 103 1HE LYS 103 -7.304 20.642 -17.621 764 1HZ LYS 103 1HZ LYS 103 -6.321 20.791 -14.837 765 2HZ LYS 103 2HZ LYS 103 -7.171 21.966 -15.723 766 3HZ LYS 103 3HZ LYS 103 -5.550 21.623 -16.097 767 H VAL 104 H VAL 104 -12.097 17.088 -20.287 768 HA VAL 104 HA VAL 104 -12.289 14.698 -18.646 769 HB VAL 104 HB VAL 104 -13.153 15.086 -21.527 770 1HG1 VAL 104 1HG1 VAL 104 -13.181 12.759 -20.846 771 2HG1 VAL 104 2HG1 VAL 104 -14.843 13.348 -20.859 772 3HG1 VAL 104 3HG1 VAL 104 -13.983 13.169 -19.330 773 1HG2 VAL 104 1HG2 VAL 104 -14.279 16.026 -18.929 774 2HG2 VAL 104 2HG2 VAL 104 -15.419 15.390 -20.114 775 3HG2 VAL 104 3HG2 VAL 104 -14.386 16.758 -20.530 776 H HIS 105 H HIS 105 -9.977 15.799 -20.848 777 HA HIS 105 HA HIS 105 -9.257 13.385 -22.196 778 1HB HIS 105 2HB HIS 105 -7.630 15.806 -21.383 779 2HB HIS 105 1HB HIS 105 -6.973 14.488 -22.355 780 HD2 HIS 105 HD2 HIS 105 -6.888 15.988 -24.760 781 HE1 HIS 105 HE1 HIS 105 -11.046 16.699 -25.001 782 HE2 HIS 105 HE2 HIS 105 -8.840 16.890 -26.240 783 H CYS 106 H CYS 106 -8.757 14.470 -18.927 784 HA CYS 106 HA CYS 106 -6.561 12.673 -18.324 785 1HB CYS 106 2HB CYS 106 -8.540 13.833 -16.350 786 2HB CYS 106 1HB CYS 106 -6.875 13.335 -16.044 787 HG CYS 106 HG CYS 106 -6.990 15.526 -18.145 788 H SER 107 H SER 107 -10.007 12.599 -17.312 789 HA SER 107 HA SER 107 -10.044 10.047 -16.179 790 1HB SER 107 2HB SER 107 -12.323 10.248 -16.226 791 2HB SER 107 1HB SER 107 -11.958 11.894 -16.735 792 HG SER 107 HG SER 107 -12.044 11.088 -18.916 793 H ILE 108 H ILE 108 -10.791 10.812 -19.600 794 HA ILE 108 HA ILE 108 -10.984 8.170 -20.546 795 HB ILE 108 HB ILE 108 -9.852 10.627 -21.921 796 1HG1 ILE 108 2HG1 ILE 108 -12.581 9.306 -22.088 797 2HG1 ILE 108 1HG1 ILE 108 -12.225 10.750 -21.141 798 1HG2 ILE 108 1HG2 ILE 108 -10.135 7.822 -22.784 799 2HG2 ILE 108 2HG2 ILE 108 -9.155 9.117 -23.472 800 3HG2 ILE 108 3HG2 ILE 108 -10.866 8.991 -23.884 801 1HD1 ILE 108 1HD1 ILE 108 -11.285 11.691 -23.391 802 2HD1 ILE 108 2HD1 ILE 108 -13.031 11.655 -23.148 803 3HD1 ILE 108 3HD1 ILE 108 -12.253 10.415 -24.131 804 H LEU 109 H LEU 109 -8.137 10.145 -19.866 805 HA LEU 109 HA LEU 109 -6.199 8.352 -21.009 806 1HB LEU 109 2HB LEU 109 -6.177 10.828 -19.606 807 2HB LEU 109 1HB LEU 109 -5.133 9.723 -18.713 808 HG LEU 109 HG LEU 109 -4.087 9.129 -20.977 809 1HD1 LEU 109 1HD1 LEU 109 -6.118 10.372 -22.117 810 2HD1 LEU 109 2HD1 LEU 109 -4.513 10.453 -22.846 811 3HD1 LEU 109 3HD1 LEU 109 -5.113 11.801 -21.880 812 1HD2 LEU 109 1HD2 LEU 109 -3.223 11.815 -20.869 813 2HD2 LEU 109 2HD2 LEU 109 -2.491 10.431 -20.056 814 3HD2 LEU 109 3HD2 LEU 109 -3.704 11.403 -19.222 815 H ALA 110 H ALA 110 -7.916 8.454 -17.958 816 HA ALA 110 HA ALA 110 -6.239 6.637 -16.501 817 1HB ALA 110 1HB ALA 110 -8.397 8.148 -15.846 818 2HB ALA 110 2HB ALA 110 -7.827 6.802 -14.859 819 3HB ALA 110 3HB ALA 110 -9.161 6.564 -15.986 820 H GLU 111 H GLU 111 -9.267 6.094 -18.339 821 HA GLU 111 HA GLU 111 -9.095 3.210 -18.069 822 1HB GLU 111 2HB GLU 111 -11.268 4.125 -18.480 823 2HB GLU 111 1HB GLU 111 -10.697 5.024 -19.887 824 1HG GLU 111 2HG GLU 111 -11.985 2.847 -20.354 825 2HG GLU 111 1HG GLU 111 -10.438 3.047 -21.180 826 H ASP 112 H ASP 112 -7.966 5.565 -20.430 827 HA ASP 112 HA ASP 112 -7.284 3.664 -22.486 828 1HB ASP 112 2HB ASP 112 -7.444 6.305 -22.534 829 2HB ASP 112 1HB ASP 112 -5.735 6.205 -22.106 830 H ALA 113 H ALA 113 -5.601 4.910 -19.643 831 HA ALA 113 HA ALA 113 -3.032 3.767 -20.338 832 1HB ALA 113 1HB ALA 113 -3.171 3.973 -17.538 833 2HB ALA 113 2HB ALA 113 -4.174 5.289 -18.147 834 3HB ALA 113 3HB ALA 113 -2.489 5.160 -18.650 835 H ILE 114 H ILE 114 -5.371 2.815 -17.782 836 HA ILE 114 HA ILE 114 -4.254 0.368 -17.078 837 HB ILE 114 HB ILE 114 -6.488 1.568 -16.308 838 1HG1 ILE 114 2HG1 ILE 114 -7.241 -0.997 -15.746 839 2HG1 ILE 114 1HG1 ILE 114 -5.549 -1.236 -16.181 840 1HG2 ILE 114 1HG2 ILE 114 -7.628 -0.624 -18.043 841 2HG2 ILE 114 2HG2 ILE 114 -7.489 1.033 -18.630 842 3HG2 ILE 114 3HG2 ILE 114 -8.485 0.677 -17.219 843 1HD1 ILE 114 1HD1 ILE 114 -6.720 0.301 -13.903 844 2HD1 ILE 114 2HD1 ILE 114 -5.220 0.895 -14.614 845 3HD1 ILE 114 3HD1 ILE 114 -5.293 -0.733 -13.941 846 H LYS 115 H LYS 115 -6.169 1.135 -19.949 847 HA LYS 115 HA LYS 115 -6.330 -1.627 -20.848 848 1HB LYS 115 2HB LYS 115 -7.561 0.761 -21.572 849 2HB LYS 115 1HB LYS 115 -6.518 0.402 -22.948 850 1HG LYS 115 2HG LYS 115 -7.485 -1.816 -23.172 851 2HG LYS 115 1HG LYS 115 -8.432 -1.590 -21.701 852 1HD LYS 115 2HD LYS 115 -9.678 0.241 -22.748 853 2HD LYS 115 1HD LYS 115 -8.698 0.094 -24.208 854 1HE LYS 115 2HE LYS 115 -9.645 -1.972 -24.792 855 2HE LYS 115 1HE LYS 115 -10.199 -2.288 -23.148 856 1HZ LYS 115 1HZ LYS 115 -11.776 -1.370 -25.085 857 2HZ LYS 115 2HZ LYS 115 -11.267 0.100 -24.400 858 3HZ LYS 115 3HZ LYS 115 -12.045 -1.066 -23.438 859 H ALA 116 H ALA 116 -4.098 1.055 -21.287 860 HA ALA 116 HA ALA 116 -2.638 -0.068 -23.498 861 1HB ALA 116 1HB ALA 116 -2.433 2.305 -22.872 862 2HB ALA 116 2HB ALA 116 -0.855 1.519 -22.830 863 3HB ALA 116 3HB ALA 116 -1.719 1.843 -21.327 864 H ALA 117 H ALA 117 -2.201 -0.235 -19.965 865 HA ALA 117 HA ALA 117 0.208 -1.778 -20.028 866 1HB ALA 117 1HB ALA 117 -1.215 -2.546 -17.727 867 2HB ALA 117 2HB ALA 117 -1.705 -0.881 -18.040 868 3HB ALA 117 3HB ALA 117 0.002 -1.275 -17.840 869 H ILE 118 H ILE 118 -3.191 -2.820 -19.554 870 HA ILE 118 HA ILE 118 -2.845 -5.570 -19.416 871 HB ILE 118 HB ILE 118 -4.963 -3.942 -20.831 872 1HG1 ILE 118 2HG1 ILE 118 -5.164 -5.660 -18.348 873 2HG1 ILE 118 1HG1 ILE 118 -4.668 -3.969 -18.279 874 1HG2 ILE 118 1HG2 ILE 118 -4.559 -6.905 -20.701 875 2HG2 ILE 118 2HG2 ILE 118 -5.251 -5.925 -21.994 876 3HG2 ILE 118 3HG2 ILE 118 -6.201 -6.280 -20.552 877 1HD1 ILE 118 1HD1 ILE 118 -7.319 -5.020 -18.439 878 2HD1 ILE 118 2HD1 ILE 118 -6.996 -4.139 -19.933 879 3HD1 ILE 118 3HD1 ILE 118 -6.821 -3.329 -18.376 880 H ALA 119 H ALA 119 -3.118 -3.665 -22.437 881 HA ALA 119 HA ALA 119 -2.754 -5.799 -24.252 882 1HB ALA 119 1HB ALA 119 -3.135 -3.137 -24.540 883 2HB ALA 119 2HB ALA 119 -2.570 -4.170 -25.854 884 3HB ALA 119 3HB ALA 119 -1.413 -3.230 -24.912 885 H ASP 120 H ASP 120 -0.259 -3.634 -22.864 886 HA ASP 120 HA ASP 120 1.968 -4.973 -24.043 887 1HB ASP 120 2HB ASP 120 2.388 -2.825 -23.127 888 2HB ASP 120 1HB ASP 120 1.666 -3.258 -21.576 889 H TYR 121 H TYR 121 -0.070 -5.821 -21.372 890 HA TYR 121 HA TYR 121 1.801 -7.571 -20.027 891 1HB TYR 121 2HB TYR 121 -0.433 -6.561 -19.148 892 2HB TYR 121 1HB TYR 121 -1.189 -7.930 -19.962 893 HD1 TYR 121 HD1 TYR 121 1.832 -7.320 -17.808 894 HD2 TYR 121 HD2 TYR 121 -1.581 -9.793 -18.634 895 HE1 TYR 121 HE1 TYR 121 2.434 -8.786 -15.901 896 HE2 TYR 121 HE2 TYR 121 -0.978 -11.260 -16.726 897 HH TYR 121 HH TYR 121 2.026 -10.779 -14.918 898 H LYS 122 H LYS 122 -0.991 -8.251 -22.172 899 HA LYS 122 HA LYS 122 -0.391 -11.047 -22.429 900 1HB LYS 122 2HB LYS 122 -2.047 -9.103 -24.035 901 2HB LYS 122 1HB LYS 122 -1.823 -10.767 -24.578 902 1HG LYS 122 2HG LYS 122 -2.583 -11.486 -22.246 903 2HG LYS 122 1HG LYS 122 -3.088 -9.813 -22.003 904 1HD LYS 122 2HD LYS 122 -4.523 -9.961 -24.013 905 2HD LYS 122 1HD LYS 122 -4.039 -11.644 -24.225 906 1HE LYS 122 2HE LYS 122 -5.257 -12.372 -22.400 907 2HE LYS 122 1HE LYS 122 -5.129 -10.824 -21.564 908 1HZ LYS 122 1HZ LYS 122 -7.054 -11.704 -23.558 909 2HZ LYS 122 2HZ LYS 122 -6.524 -10.096 -23.695 910 3HZ LYS 122 3HZ LYS 122 -7.250 -10.635 -22.256 911 H ALA 123 H ALA 123 0.621 -8.181 -24.230 912 HA ALA 123 HA ALA 123 1.729 -9.354 -26.523 913 1HB ALA 123 1HB ALA 123 3.483 -7.325 -25.343 914 2HB ALA 123 2HB ALA 123 1.788 -6.837 -25.359 915 3HB ALA 123 3HB ALA 123 2.591 -7.288 -26.864 916 H LYS 124 H LYS 124 3.096 -9.147 -23.252 917 HA LYS 124 HA LYS 124 5.525 -10.581 -24.129 918 1HB LYS 124 2HB LYS 124 5.038 -8.712 -22.143 919 2HB LYS 124 1HB LYS 124 5.147 -10.226 -21.244 920 1HG LYS 124 2HG LYS 124 7.315 -10.716 -22.229 921 2HG LYS 124 1HG LYS 124 7.196 -9.303 -23.277 922 1HD LYS 124 2HD LYS 124 7.468 -7.797 -21.494 923 2HD LYS 124 1HD LYS 124 7.012 -9.000 -20.287 924 1HE LYS 124 2HE LYS 124 9.102 -9.959 -20.251 925 2HE LYS 124 1HE LYS 124 9.409 -9.601 -21.951 926 1HZ LYS 124 1HZ LYS 124 10.518 -8.262 -19.937 927 2HZ LYS 124 2HZ LYS 124 9.143 -7.301 -20.204 928 3HZ LYS 124 3HZ LYS 124 10.241 -7.586 -21.469 929 H GLN 125 H GLN 125 3.267 -12.129 -24.548 930 HA GLN 125 HA GLN 125 3.461 -14.145 -22.343 931 1HB GLN 125 2HB GLN 125 1.198 -12.930 -22.759 932 2HB GLN 125 1HB GLN 125 1.101 -13.933 -24.207 933 1HG GLN 125 2HG GLN 125 1.445 -15.954 -22.770 934 2HG GLN 125 1HG GLN 125 1.375 -14.909 -21.351 935 1HE2 GLN 125 1HE2 GLN 125 -0.671 -14.903 -20.428 936 2HE2 GLN 125 2HE2 GLN 125 -2.132 -15.043 -21.282 937 H GLY 126 H GLY 126 3.246 -13.584 -25.828 938 1HA GLY 126 2HA GLY 126 4.530 -16.232 -26.245 939 2HA GLY 126 1HA GLY 126 3.058 -15.867 -27.146 940 H LEU 127 H LEU 127 4.773 -13.037 -26.612 941 HA LEU 127 HA LEU 127 5.707 -11.598 -28.246 942 1HB LEU 127 2HB LEU 127 7.556 -13.185 -27.220 943 2HB LEU 127 1HB LEU 127 7.594 -13.849 -28.853 944 HG LEU 127 HG LEU 127 7.632 -11.224 -29.457 945 1HD1 LEU 127 1HD1 LEU 127 8.994 -9.993 -27.877 946 2HD1 LEU 127 2HD1 LEU 127 9.189 -11.422 -26.863 947 3HD1 LEU 127 3HD1 LEU 127 7.610 -10.651 -27.005 948 1HD2 LEU 127 1HD2 LEU 127 10.287 -11.608 -29.149 949 2HD2 LEU 127 2HD2 LEU 127 9.358 -12.396 -30.424 950 3HD2 LEU 127 3HD2 LEU 127 9.733 -13.269 -28.938 951 H GLU 128 H GLU 128 3.544 -12.473 -29.475 952 HA GLU 128 HA GLU 128 4.314 -13.872 -31.973 953 1HB GLU 128 2HB GLU 128 2.107 -14.186 -30.514 954 2HB GLU 128 1HB GLU 128 1.550 -12.831 -31.496 955 1HG GLU 128 2HG GLU 128 2.621 -14.332 -33.448 956 2HG GLU 128 1HG GLU 128 2.208 -15.619 -32.313 957 H HIS 129 H HIS 129 3.384 -12.872 -34.048 958 HA HIS 129 HA HIS 129 4.565 -10.438 -34.658 959 1HB HIS 129 2HB HIS 129 3.548 -11.936 -36.349 960 2HB HIS 129 1HB HIS 129 1.943 -11.461 -35.794 961 HD2 HIS 129 HD2 HIS 129 4.792 -8.773 -36.284 962 HE1 HIS 129 HE1 HIS 129 1.799 -8.089 -39.184 963 HE2 HIS 129 HE2 HIS 129 3.946 -7.189 -38.177 964 H HIS 130 H HIS 130 3.831 -8.253 -34.728 965 HA HIS 130 HA HIS 130 1.343 -7.676 -33.186 966 1HB HIS 130 2HB HIS 130 3.967 -7.260 -32.244 967 2HB HIS 130 1HB HIS 130 3.383 -5.669 -32.726 968 HD2 HIS 130 HD2 HIS 130 2.365 -8.530 -30.186 969 HE1 HIS 130 HE1 HIS 130 0.269 -5.007 -29.167 970 HE2 HIS 130 HE2 HIS 130 0.775 -7.391 -28.460 971 H HIS 131 H HIS 131 0.052 -6.323 -34.343 972 HA HIS 131 HA HIS 131 -0.580 -5.015 -36.220 973 1HB HIS 131 2HB HIS 131 1.641 -3.473 -34.862 974 2HB HIS 131 1HB HIS 131 0.685 -2.793 -36.179 975 HD2 HIS 131 HD2 HIS 131 -1.937 -4.714 -34.516 976 HE1 HIS 131 HE1 HIS 131 -1.712 -1.236 -32.128 977 HE2 HIS 131 HE2 HIS 131 -3.113 -3.276 -32.685 978 H HIS 132 H HIS 132 2.160 -3.329 -36.963 979 HA HIS 132 HA HIS 132 3.009 -5.337 -39.010 980 1HB HIS 132 2HB HIS 132 1.631 -3.059 -39.609 981 2HB HIS 132 1HB HIS 132 3.293 -2.473 -39.707 982 HD2 HIS 132 HD2 HIS 132 4.680 -5.160 -41.061 983 HE1 HIS 132 HE1 HIS 132 1.790 -4.655 -44.100 984 HE2 HIS 132 HE2 HIS 132 3.989 -5.769 -43.501 985 H HIS 133 H HIS 133 4.127 -4.580 -36.334 986 HA HIS 133 HA HIS 133 6.890 -4.093 -37.273 987 1HB HIS 133 2HB HIS 133 6.092 -2.537 -34.866 988 2HB HIS 133 1HB HIS 133 7.245 -2.130 -36.138 989 HD2 HIS 133 HD2 HIS 133 6.237 -0.099 -37.700 990 HE1 HIS 133 HE1 HIS 133 2.130 -1.008 -37.324 991 HE2 HIS 133 HE2 HIS 133 3.808 0.583 -38.366 992 H HIS 134 HN HIS 134 7.785 -3.666 -34.489 993 HA HIS 134 HA HIS 134 7.443 -6.478 -33.552 994 1HB HIS 134 2HB HIS 134 9.765 -5.631 -34.062 995 2HB HIS 134 1HB HIS 134 9.572 -4.479 -32.740 996 HD2 HIS 134 HD2 HIS 134 11.847 -6.479 -31.932 997 HE1 HIS 134 HE1 HIS 134 8.939 -8.916 -30.075 998 HE2 HIS 134 HE2 HIS 134 11.422 -8.427 -30.251 Start of MODEL 6 1 1H MET 1 1H MET 1 33.839 11.641 0.724 2 2H MET 1 2H MET 1 32.501 12.582 1.186 3 3H MET 1 3H MET 1 33.238 12.830 -0.325 4 HA MET 1 HA MET 1 32.464 10.122 -0.078 5 1HB MET 1 2HB MET 1 30.359 12.239 0.446 6 2HB MET 1 1HB MET 1 29.978 10.607 -0.108 7 1HG MET 1 2HG MET 1 30.707 9.618 1.883 8 2HG MET 1 1HG MET 1 31.726 10.994 2.307 9 1HE MET 1 1HE MET 1 28.719 9.259 3.679 10 2HE MET 1 2HE MET 1 28.864 10.438 4.981 11 3HE MET 1 3HE MET 1 30.313 9.702 4.303 12 H ALA 2 H ALA 2 33.887 11.606 -1.939 13 HA ALA 2 HA ALA 2 32.000 12.353 -4.093 14 1HB ALA 2 1HB ALA 2 34.083 12.993 -5.316 15 2HB ALA 2 2HB ALA 2 35.030 12.435 -3.936 16 3HB ALA 2 3HB ALA 2 33.933 13.806 -3.758 17 H TYR 3 H TYR 3 34.706 11.250 -5.595 18 HA TYR 3 HA TYR 3 34.994 9.424 -7.055 19 1HB TYR 3 2HB TYR 3 35.004 8.559 -4.353 20 2HB TYR 3 1HB TYR 3 34.102 7.348 -5.263 21 HD1 TYR 3 HD1 TYR 3 37.266 9.352 -5.387 22 HD2 TYR 3 HD2 TYR 3 35.250 5.732 -6.519 23 HE1 TYR 3 HE1 TYR 3 39.388 8.456 -6.301 24 HE2 TYR 3 HE2 TYR 3 37.374 4.835 -7.433 25 HH TYR 3 HH TYR 3 39.688 6.212 -8.387 26 H SER 4 H SER 4 33.134 10.053 -8.387 27 HA SER 4 HA SER 4 30.495 8.991 -7.855 28 1HB SER 4 2HB SER 4 31.025 9.500 -10.668 29 2HB SER 4 1HB SER 4 29.916 10.326 -9.577 30 HG SER 4 HG SER 4 31.598 11.613 -8.885 31 H GLU 5 H GLU 5 30.863 6.727 -7.486 32 HA GLU 5 HA GLU 5 31.224 5.194 -10.014 33 1HB GLU 5 2HB GLU 5 33.214 5.334 -8.106 34 2HB GLU 5 1HB GLU 5 32.348 3.868 -7.643 35 1HG GLU 5 2HG GLU 5 32.476 3.177 -10.098 36 2HG GLU 5 1HG GLU 5 33.622 4.501 -10.312 37 H LYS 6 H LYS 6 30.594 2.780 -9.513 38 HA LYS 6 HA LYS 6 28.228 2.812 -7.682 39 1HB LYS 6 2HB LYS 6 28.227 2.484 -10.458 40 2HB LYS 6 1HB LYS 6 28.074 0.845 -9.833 41 1HG LYS 6 2HG LYS 6 26.136 1.427 -8.538 42 2HG LYS 6 1HG LYS 6 26.370 3.147 -8.857 43 1HD LYS 6 2HD LYS 6 26.236 1.636 -11.336 44 2HD LYS 6 1HD LYS 6 24.795 1.374 -10.355 45 1HE LYS 6 2HE LYS 6 25.908 4.135 -10.877 46 2HE LYS 6 1HE LYS 6 24.722 3.380 -11.942 47 1HZ LYS 6 1HZ LYS 6 23.100 3.773 -10.498 48 2HZ LYS 6 2HZ LYS 6 24.181 4.788 -9.669 49 3HZ LYS 6 3HZ LYS 6 23.993 3.169 -9.189 50 H VAL 7 H VAL 7 30.155 2.047 -6.243 51 HA VAL 7 HA VAL 7 30.931 -0.761 -6.686 52 HB VAL 7 HB VAL 7 32.035 -0.331 -4.353 53 1HG1 VAL 7 1HG1 VAL 7 32.883 1.240 -6.808 54 2HG1 VAL 7 2HG1 VAL 7 33.246 -0.459 -6.509 55 3HG1 VAL 7 3HG1 VAL 7 33.929 0.784 -5.463 56 1HG2 VAL 7 1HG2 VAL 7 31.887 2.545 -5.171 57 2HG2 VAL 7 2HG2 VAL 7 32.125 1.848 -3.569 58 3HG2 VAL 7 3HG2 VAL 7 30.517 1.864 -4.293 59 H ILE 8 H ILE 8 28.214 0.692 -5.515 60 HA ILE 8 HA ILE 8 27.783 -0.911 -3.122 61 HB ILE 8 HB ILE 8 25.337 -0.143 -3.563 62 1HG1 ILE 8 2HG1 ILE 8 26.823 1.676 -5.484 63 2HG1 ILE 8 1HG1 ILE 8 25.790 0.338 -5.992 64 1HG2 ILE 8 1HG2 ILE 8 25.814 2.011 -2.587 65 2HG2 ILE 8 2HG2 ILE 8 27.454 1.999 -3.234 66 3HG2 ILE 8 3HG2 ILE 8 27.003 0.872 -1.955 67 1HD1 ILE 8 1HD1 ILE 8 23.866 1.446 -5.457 68 2HD1 ILE 8 2HD1 ILE 8 24.883 2.876 -5.641 69 3HD1 ILE 8 3HD1 ILE 8 24.582 2.209 -4.037 70 H ASP 9 H ASP 9 28.189 -1.968 -6.113 71 HA ASP 9 HA ASP 9 25.940 -3.937 -5.976 72 1HB ASP 9 2HB ASP 9 26.349 -2.353 -8.054 73 2HB ASP 9 1HB ASP 9 27.592 -3.542 -8.449 74 H HIS 10 H HIS 10 29.164 -3.938 -7.527 75 HA HIS 10 HA HIS 10 30.766 -5.662 -7.595 76 1HB HIS 10 2HB HIS 10 29.997 -5.449 -4.683 77 2HB HIS 10 1HB HIS 10 31.251 -6.565 -5.222 78 HD2 HIS 10 HD2 HIS 10 31.573 -3.398 -3.627 79 HE1 HIS 10 HE1 HIS 10 34.047 -2.817 -7.001 80 HE2 HIS 10 HE2 HIS 10 33.446 -1.933 -4.701 81 H TYR 11 H TYR 11 30.824 -8.031 -5.907 82 HA TYR 11 HA TYR 11 28.679 -9.555 -7.286 83 1HB TYR 11 2HB TYR 11 31.418 -10.138 -6.346 84 2HB TYR 11 1HB TYR 11 30.255 -11.435 -6.074 85 HD1 TYR 11 HD1 TYR 11 30.677 -8.890 -8.803 86 HD2 TYR 11 HD2 TYR 11 30.434 -13.047 -7.747 87 HE1 TYR 11 HE1 TYR 11 30.802 -9.508 -11.203 88 HE2 TYR 11 HE2 TYR 11 30.558 -13.664 -10.147 89 HH TYR 11 HH TYR 11 30.402 -12.856 -12.262 90 H GLU 12 H GLU 12 28.800 -7.965 -4.498 91 HA GLU 12 HA GLU 12 27.282 -10.095 -3.048 92 1HB GLU 12 2HB GLU 12 28.164 -9.161 -0.923 93 2HB GLU 12 1HB GLU 12 29.454 -9.784 -1.952 94 1HG GLU 12 2HG GLU 12 30.446 -7.768 -1.837 95 2HG GLU 12 1HG GLU 12 29.081 -7.096 -2.730 96 H ASN 13 H ASN 13 25.244 -9.465 -2.520 97 HA ASN 13 HA ASN 13 24.614 -6.716 -1.792 98 1HB ASN 13 2HB ASN 13 24.207 -7.667 -4.552 99 2HB ASN 13 1HB ASN 13 22.769 -6.961 -3.815 100 1HD2 ASN 13 1HD2 ASN 13 23.263 -5.215 -5.553 101 2HD2 ASN 13 2HD2 ASN 13 24.327 -3.969 -5.110 102 HA PRO 14 HA PRO 14 22.106 -9.973 0.311 103 1HB PRO 14 2HB PRO 14 21.646 -7.578 2.025 104 2HB PRO 14 1HB PRO 14 22.075 -9.235 2.490 105 1HG PRO 14 2HG PRO 14 23.855 -7.239 2.537 106 2HG PRO 14 1HG PRO 14 24.308 -8.903 2.132 107 1HD PRO 14 2HD PRO 14 24.054 -6.538 0.341 108 2HD PRO 14 1HD PRO 14 25.083 -7.978 0.174 109 H ARG 15 H ARG 15 21.159 -6.579 -0.285 110 HA ARG 15 HA ARG 15 18.402 -6.734 0.028 111 1HB ARG 15 2HB ARG 15 20.226 -5.146 -1.670 112 2HB ARG 15 1HB ARG 15 18.566 -5.241 -2.260 113 1HG ARG 15 2HG ARG 15 18.698 -3.334 -0.793 114 2HG ARG 15 1HG ARG 15 17.797 -4.593 0.056 115 1HD ARG 15 2HD ARG 15 20.456 -5.120 0.701 116 2HD ARG 15 1HD ARG 15 20.354 -3.361 0.749 117 HE ARG 15 HE ARG 15 19.430 -4.984 2.806 118 1HH1 ARG 15 1HH2 ARG 15 18.034 -2.730 0.593 119 2HH1 ARG 15 2HH2 ARG 15 16.700 -2.347 1.627 120 1HH2 ARG 15 2HH1 ARG 15 17.701 -4.487 4.161 121 2HH2 ARG 15 1HH1 ARG 15 16.512 -3.337 3.644 122 H ASN 16 H ASN 16 16.982 -8.207 -0.765 123 HA ASN 16 HA ASN 16 17.650 -9.813 -3.121 124 1HB ASN 16 2HB ASN 16 15.328 -9.725 -1.198 125 2HB ASN 16 1HB ASN 16 15.241 -10.682 -2.677 126 1HD2 ASN 16 1HD2 ASN 16 16.690 -12.535 -2.878 127 2HD2 ASN 16 2HD2 ASN 16 17.521 -13.157 -1.535 128 H VAL 17 H VAL 17 17.680 -8.285 -4.843 129 HA VAL 17 HA VAL 17 15.694 -6.337 -5.374 130 HB VAL 17 HB VAL 17 16.436 -6.712 -7.826 131 1HG1 VAL 17 1HG1 VAL 17 17.379 -5.054 -6.118 132 2HG1 VAL 17 2HG1 VAL 17 18.460 -5.505 -7.436 133 3HG1 VAL 17 3HG1 VAL 17 18.667 -6.228 -5.841 134 1HG2 VAL 17 1HG2 VAL 17 18.395 -8.522 -6.377 135 2HG2 VAL 17 2HG2 VAL 17 18.465 -8.077 -8.081 136 3HG2 VAL 17 3HG2 VAL 17 17.137 -9.072 -7.483 137 H GLY 18 H GLY 18 13.601 -6.529 -6.009 138 1HA GLY 18 2HA GLY 18 12.687 -9.212 -6.961 139 2HA GLY 18 1HA GLY 18 11.660 -8.059 -6.106 140 H SER 19 H SER 19 10.863 -9.108 -8.579 141 HA SER 19 HA SER 19 11.585 -7.383 -10.780 142 1HB SER 19 2HB SER 19 9.366 -8.319 -11.735 143 2HB SER 19 1HB SER 19 10.663 -9.466 -11.408 144 HG SER 19 HG SER 19 8.576 -10.083 -10.569 145 H LEU 20 H LEU 20 10.443 -5.590 -11.613 146 HA LEU 20 HA LEU 20 7.993 -4.642 -10.347 147 1HB LEU 20 2HB LEU 20 9.878 -3.994 -8.743 148 2HB LEU 20 1HB LEU 20 10.452 -2.913 -10.011 149 HG LEU 20 HG LEU 20 8.096 -1.934 -10.063 150 1HD1 LEU 20 1HD1 LEU 20 6.668 -3.362 -8.949 151 2HD1 LEU 20 2HD1 LEU 20 7.098 -2.305 -7.604 152 3HD1 LEU 20 3HD1 LEU 20 7.902 -3.863 -7.793 153 1HD2 LEU 20 1HD2 LEU 20 9.994 -1.700 -7.735 154 2HD2 LEU 20 2HD2 LEU 20 8.514 -0.741 -7.776 155 3HD2 LEU 20 3HD2 LEU 20 9.716 -0.562 -9.053 156 H ASP 21 H ASP 21 10.423 -4.551 -12.757 157 HA ASP 21 HA ASP 21 8.993 -2.344 -14.177 158 1HB ASP 21 2HB ASP 21 11.515 -2.171 -13.719 159 2HB ASP 21 1HB ASP 21 11.706 -3.460 -14.906 160 H LYS 22 H LYS 22 9.187 -2.720 -16.698 161 HA LYS 22 HA LYS 22 7.609 -4.974 -17.375 162 1HB LYS 22 2HB LYS 22 8.066 -2.815 -18.733 163 2HB LYS 22 1HB LYS 22 9.495 -3.659 -19.330 164 1HG LYS 22 2HG LYS 22 8.177 -5.415 -20.282 165 2HG LYS 22 1HG LYS 22 6.724 -4.867 -19.444 166 1HD LYS 22 2HD LYS 22 6.321 -3.902 -21.494 167 2HD LYS 22 1HD LYS 22 7.289 -2.611 -20.780 168 1HE LYS 22 2HE LYS 22 8.249 -3.016 -22.926 169 2HE LYS 22 1HE LYS 22 9.332 -3.788 -21.769 170 1HZ LYS 22 1HZ LYS 22 7.595 -5.756 -22.264 171 2HZ LYS 22 2HZ LYS 22 9.060 -5.554 -23.101 172 3HZ LYS 22 3HZ LYS 22 7.608 -4.977 -23.770 173 H LYS 23 H LYS 23 10.712 -5.043 -16.287 174 HA LYS 23 HA LYS 23 11.904 -6.961 -18.100 175 1HB LYS 23 2HB LYS 23 13.034 -5.416 -16.313 176 2HB LYS 23 1HB LYS 23 12.664 -6.734 -15.199 177 1HG LYS 23 2HG LYS 23 13.730 -8.003 -17.454 178 2HG LYS 23 1HG LYS 23 14.740 -6.574 -17.232 179 1HD LYS 23 2HD LYS 23 15.009 -7.195 -14.824 180 2HD LYS 23 1HD LYS 23 14.113 -8.681 -15.144 181 1HE LYS 23 2HE LYS 23 16.213 -8.349 -17.104 182 2HE LYS 23 1HE LYS 23 16.883 -8.263 -15.476 183 1HZ LYS 23 1HZ LYS 23 14.918 -10.332 -15.785 184 2HZ LYS 23 2HZ LYS 23 16.483 -10.411 -15.127 185 3HZ LYS 23 3HZ LYS 23 16.256 -10.540 -16.806 186 H ASP 24 H ASP 24 9.184 -7.360 -16.487 187 HA ASP 24 HA ASP 24 9.729 -10.248 -15.990 188 1HB ASP 24 2HB ASP 24 8.980 -8.249 -14.016 189 2HB ASP 24 1HB ASP 24 7.762 -9.520 -14.125 190 H SER 25 H SER 25 8.168 -11.548 -16.875 191 HA SER 25 HA SER 25 6.158 -10.424 -18.586 192 1HB SER 25 2HB SER 25 6.978 -13.130 -17.710 193 2HB SER 25 1HB SER 25 5.292 -12.979 -18.197 194 HG SER 25 HG SER 25 6.468 -11.678 -20.017 195 H ASN 26 H ASN 26 6.220 -10.191 -15.381 196 HA ASN 26 HA ASN 26 3.279 -10.647 -15.076 197 1HB ASN 26 2HB ASN 26 5.573 -11.219 -13.341 198 2HB ASN 26 1HB ASN 26 4.297 -10.319 -12.519 199 1HD2 ASN 26 1HD2 ASN 26 4.574 -13.119 -14.795 200 2HD2 ASN 26 2HD2 ASN 26 3.360 -14.034 -14.040 201 H VAL 27 H VAL 27 5.419 -8.259 -15.700 202 HA VAL 27 HA VAL 27 3.845 -6.266 -14.115 203 HB VAL 27 HB VAL 27 6.773 -6.277 -14.880 204 1HG1 VAL 27 1HG1 VAL 27 6.334 -4.054 -15.326 205 2HG1 VAL 27 2HG1 VAL 27 6.533 -3.956 -13.576 206 3HG1 VAL 27 3HG1 VAL 27 4.916 -4.015 -14.277 207 1HG2 VAL 27 1HG2 VAL 27 7.150 -6.621 -12.662 208 2HG2 VAL 27 2HG2 VAL 27 5.467 -7.149 -12.617 209 3HG2 VAL 27 3HG2 VAL 27 5.882 -5.492 -12.183 210 H GLY 28 H GLY 28 2.344 -5.876 -15.808 211 1HA GLY 28 2HA GLY 28 3.230 -5.299 -18.519 212 2HA GLY 28 1HA GLY 28 1.599 -5.054 -17.892 213 H THR 29 H THR 29 3.106 -3.169 -19.538 214 HA THR 29 HA THR 29 3.187 -0.900 -17.596 215 HB THR 29 HB THR 29 5.033 -1.138 -19.983 216 HG1 THR 29 HG1 THR 29 5.903 -2.628 -18.758 217 1HG2 THR 29 1HG2 THR 29 6.191 0.701 -18.976 218 2HG2 THR 29 2HG2 THR 29 5.263 0.548 -17.483 219 3HG2 THR 29 3HG2 THR 29 4.479 1.121 -18.956 220 H GLY 30 H GLY 30 1.620 0.515 -18.144 221 1HA GLY 30 2HA GLY 30 0.947 0.813 -21.047 222 2HA GLY 30 1HA GLY 30 -0.258 0.948 -19.764 223 H MET 31 H MET 31 2.367 2.578 -21.399 224 HA MET 31 HA MET 31 2.141 4.924 -19.611 225 1HB MET 31 2HB MET 31 4.263 3.850 -20.989 226 2HB MET 31 1HB MET 31 3.782 5.181 -22.043 227 1HG MET 31 2HG MET 31 3.680 6.545 -19.793 228 2HG MET 31 1HG MET 31 4.749 5.272 -19.202 229 1HE MET 31 1HE MET 31 6.843 8.458 -19.843 230 2HE MET 31 2HE MET 31 5.451 7.885 -18.929 231 3HE MET 31 3HE MET 31 5.204 8.844 -20.385 232 H VAL 32 H VAL 32 0.963 6.705 -20.123 233 HA VAL 32 HA VAL 32 0.180 7.176 -22.944 234 HB VAL 32 HB VAL 32 -2.195 7.584 -22.201 235 1HG1 VAL 32 1HG1 VAL 32 -1.174 4.770 -21.711 236 2HG1 VAL 32 2HG1 VAL 32 -1.459 5.468 -23.306 237 3HG1 VAL 32 3HG1 VAL 32 -2.808 5.222 -22.197 238 1HG2 VAL 32 1HG2 VAL 32 -1.022 6.472 -19.655 239 2HG2 VAL 32 2HG2 VAL 32 -2.735 6.266 -20.019 240 3HG2 VAL 32 3HG2 VAL 32 -2.054 7.885 -19.867 241 H GLY 33 H GLY 33 -1.172 9.392 -22.908 242 1HA GLY 33 2HA GLY 33 -0.914 11.287 -20.867 243 2HA GLY 33 1HA GLY 33 0.606 11.360 -21.760 244 H ALA 34 H ALA 34 -0.661 13.640 -21.927 245 HA ALA 34 HA ALA 34 -2.159 13.563 -24.516 246 1HB ALA 34 1HB ALA 34 -2.568 16.043 -23.143 247 2HB ALA 34 2HB ALA 34 -2.871 14.727 -22.008 248 3HB ALA 34 3HB ALA 34 -3.759 14.800 -23.529 249 HA PRO 35 HA PRO 35 2.045 15.413 -25.334 250 1HB PRO 35 2HB PRO 35 0.815 15.001 -28.035 251 2HB PRO 35 1HB PRO 35 2.477 14.692 -27.496 252 1HG PRO 35 2HG PRO 35 0.710 12.714 -27.811 253 2HG PRO 35 1HG PRO 35 1.939 12.685 -26.534 254 1HD PRO 35 2HD PRO 35 -0.989 13.097 -26.301 255 2HD PRO 35 1HD PRO 35 0.168 12.512 -25.086 256 H ALA 36 H ALA 36 -1.185 16.397 -25.818 257 HA ALA 36 HA ALA 36 -0.637 18.835 -27.314 258 1HB ALA 36 1HB ALA 36 -3.052 18.383 -25.563 259 2HB ALA 36 2HB ALA 36 -2.882 17.549 -27.107 260 3HB ALA 36 3HB ALA 36 -2.937 19.310 -27.059 261 H CYS 37 H CYS 37 0.739 18.170 -24.636 262 HA CYS 37 HA CYS 37 1.731 19.674 -23.079 263 1HB CYS 37 2HB CYS 37 0.651 21.464 -24.753 264 2HB CYS 37 1HB CYS 37 -0.454 21.680 -23.396 265 HG CYS 37 HG CYS 37 2.164 22.944 -23.458 266 H GLY 38 H GLY 38 -1.570 18.705 -23.231 267 1HA GLY 38 2HA GLY 38 -2.719 19.493 -20.847 268 2HA GLY 38 1HA GLY 38 -2.920 17.860 -21.486 269 H ASP 39 H ASP 39 -0.450 16.748 -21.215 270 HA ASP 39 HA ASP 39 1.220 17.077 -19.105 271 1HB ASP 39 2HB ASP 39 -0.284 17.421 -17.379 272 2HB ASP 39 1HB ASP 39 -1.512 16.384 -18.102 273 H VAL 40 H VAL 40 1.968 14.913 -18.076 274 HA VAL 40 HA VAL 40 1.528 12.735 -20.079 275 HB VAL 40 HB VAL 40 3.947 13.218 -18.310 276 1HG1 VAL 40 1HG1 VAL 40 4.055 10.952 -18.762 277 2HG1 VAL 40 2HG1 VAL 40 4.828 11.575 -20.219 278 3HG1 VAL 40 3HG1 VAL 40 3.130 11.099 -20.257 279 1HG2 VAL 40 1HG2 VAL 40 3.523 13.703 -21.279 280 2HG2 VAL 40 2HG2 VAL 40 5.058 13.875 -20.426 281 3HG2 VAL 40 3HG2 VAL 40 3.713 14.952 -20.048 282 H MET 41 H MET 41 1.312 10.576 -19.245 283 HA MET 41 HA MET 41 1.112 10.291 -16.300 284 1HB MET 41 2HB MET 41 -1.154 10.923 -16.998 285 2HB MET 41 1HB MET 41 -1.153 9.642 -18.211 286 1HG MET 41 2HG MET 41 -0.420 8.425 -15.758 287 2HG MET 41 1HG MET 41 -1.804 9.463 -15.412 288 1HE MET 41 1HE MET 41 -3.608 8.240 -14.982 289 2HE MET 41 2HE MET 41 -2.763 6.701 -14.838 290 3HE MET 41 3HE MET 41 -4.239 6.801 -15.793 291 H GLN 42 H GLN 42 1.612 8.212 -15.615 292 HA GLN 42 HA GLN 42 1.998 6.151 -17.746 293 1HB GLN 42 2HB GLN 42 4.212 6.878 -17.262 294 2HB GLN 42 1HB GLN 42 3.884 6.973 -15.532 295 1HG GLN 42 2HG GLN 42 3.682 4.553 -15.387 296 2HG GLN 42 1HG GLN 42 3.850 4.401 -17.137 297 1HE2 GLN 42 1HE2 GLN 42 5.852 6.914 -16.126 298 2HE2 GLN 42 2HE2 GLN 42 7.304 6.047 -15.979 299 H LEU 43 H LEU 43 1.488 4.023 -17.106 300 HA LEU 43 HA LEU 43 0.525 3.675 -14.304 301 1HB LEU 43 2HB LEU 43 -1.372 4.147 -15.946 302 2HB LEU 43 1HB LEU 43 -0.972 2.606 -16.707 303 HG LEU 43 HG LEU 43 -1.079 2.040 -13.962 304 1HD1 LEU 43 1HD1 LEU 43 -3.069 2.990 -13.117 305 2HD1 LEU 43 2HD1 LEU 43 -3.597 3.523 -14.712 306 3HD1 LEU 43 3HD1 LEU 43 -2.264 4.348 -13.903 307 1HD2 LEU 43 1HD2 LEU 43 -3.227 0.869 -14.657 308 2HD2 LEU 43 2HD2 LEU 43 -1.822 0.499 -15.655 309 3HD2 LEU 43 3HD2 LEU 43 -3.041 1.632 -16.236 310 H GLN 44 H GLN 44 1.021 1.673 -13.440 311 HA GLN 44 HA GLN 44 2.146 -0.373 -15.305 312 1HB GLN 44 2HB GLN 44 3.859 1.014 -13.909 313 2HB GLN 44 1HB GLN 44 3.280 0.053 -12.547 314 1HG GLN 44 2HG GLN 44 3.752 -2.017 -13.907 315 2HG GLN 44 1HG GLN 44 4.520 -0.981 -15.111 316 1HE2 GLN 44 1HE2 GLN 44 6.739 -0.778 -14.822 317 2HE2 GLN 44 2HE2 GLN 44 7.550 -0.914 -13.337 318 H ILE 45 H ILE 45 1.431 -2.445 -14.893 319 HA ILE 45 HA ILE 45 -0.209 -2.819 -12.417 320 HB ILE 45 HB ILE 45 -1.202 -4.713 -14.069 321 1HG1 ILE 45 2HG1 ILE 45 -0.972 -2.458 -16.006 322 2HG1 ILE 45 1HG1 ILE 45 0.447 -3.488 -15.815 323 1HG2 ILE 45 1HG2 ILE 45 -2.653 -3.201 -12.952 324 2HG2 ILE 45 2HG2 ILE 45 -2.959 -2.931 -14.668 325 3HG2 ILE 45 3HG2 ILE 45 -1.949 -1.802 -13.763 326 1HD1 ILE 45 1HD1 ILE 45 -0.853 -5.472 -16.331 327 2HD1 ILE 45 2HD1 ILE 45 -1.118 -4.283 -17.606 328 3HD1 ILE 45 3HD1 ILE 45 -2.345 -4.532 -16.363 329 H LYS 46 H LYS 46 0.377 -4.512 -11.130 330 HA LYS 46 HA LYS 46 2.404 -6.420 -12.226 331 1HB LYS 46 2HB LYS 46 3.343 -5.021 -10.453 332 2HB LYS 46 1HB LYS 46 2.003 -5.438 -9.383 333 1HG LYS 46 2HG LYS 46 2.708 -7.696 -9.199 334 2HG LYS 46 1HG LYS 46 3.788 -7.556 -10.586 335 1HD LYS 46 2HD LYS 46 5.475 -6.794 -9.299 336 2HD LYS 46 1HD LYS 46 4.433 -5.593 -8.537 337 1HE LYS 46 2HE LYS 46 5.436 -7.432 -7.021 338 2HE LYS 46 1HE LYS 46 3.709 -7.105 -6.870 339 1HZ LYS 46 1HZ LYS 46 3.164 -9.003 -8.060 340 2HZ LYS 46 2HZ LYS 46 4.465 -9.519 -7.095 341 3HZ LYS 46 3HZ LYS 46 4.711 -9.159 -8.737 342 H VAL 47 H VAL 47 1.587 -8.439 -12.479 343 HA VAL 47 HA VAL 47 -0.852 -9.186 -10.957 344 HB VAL 47 HB VAL 47 0.514 -10.389 -13.376 345 1HG1 VAL 47 1HG1 VAL 47 -1.700 -11.809 -13.304 346 2HG1 VAL 47 2HG1 VAL 47 -1.652 -11.444 -11.580 347 3HG1 VAL 47 3HG1 VAL 47 -0.314 -12.309 -12.336 348 1HG2 VAL 47 1HG2 VAL 47 -2.136 -9.892 -13.956 349 2HG2 VAL 47 2HG2 VAL 47 -0.801 -8.809 -14.348 350 3HG2 VAL 47 3HG2 VAL 47 -1.736 -8.557 -12.875 351 H ASP 48 H ASP 48 -0.702 -10.549 -9.243 352 HA ASP 48 HA ASP 48 1.760 -11.488 -8.202 353 1HB ASP 48 2HB ASP 48 0.071 -11.519 -6.609 354 2HB ASP 48 1HB ASP 48 -1.122 -12.166 -7.737 355 H ASP 49 H ASP 49 -0.789 -13.456 -9.775 356 HA ASP 49 HA ASP 49 0.717 -14.804 -11.659 357 1HB ASP 49 2HB ASP 49 2.338 -15.666 -10.219 358 2HB ASP 49 1HB ASP 49 1.197 -15.860 -8.888 359 H ASN 50 H ASN 50 -1.767 -14.879 -9.242 360 HA ASN 50 HA ASN 50 -3.135 -17.168 -10.527 361 1HB ASN 50 2HB ASN 50 -4.760 -15.870 -8.552 362 2HB ASN 50 1HB ASN 50 -3.994 -17.456 -8.465 363 1HD2 ASN 50 1HD2 ASN 50 -4.151 -14.666 -6.747 364 2HD2 ASN 50 2HD2 ASN 50 -2.594 -14.635 -6.073 365 H GLY 51 H GLY 51 -2.928 -13.840 -10.947 366 1HA GLY 51 2HA GLY 51 -4.185 -12.941 -12.905 367 2HA GLY 51 1HA GLY 51 -5.593 -13.817 -12.304 368 H ILE 52 H ILE 52 -3.631 -12.350 -9.893 369 HA ILE 52 HA ILE 52 -5.674 -10.184 -9.608 370 HB ILE 52 HB ILE 52 -3.930 -11.406 -7.448 371 1HG1 ILE 52 2HG1 ILE 52 -5.540 -13.052 -8.316 372 2HG1 ILE 52 1HG1 ILE 52 -6.028 -12.512 -6.709 373 1HG2 ILE 52 1HG2 ILE 52 -4.566 -9.202 -6.807 374 2HG2 ILE 52 2HG2 ILE 52 -5.723 -10.267 -6.009 375 3HG2 ILE 52 3HG2 ILE 52 -6.188 -9.397 -7.471 376 1HD1 ILE 52 1HD1 ILE 52 -8.027 -12.407 -7.960 377 2HD1 ILE 52 2HD1 ILE 52 -7.207 -11.757 -9.380 378 3HD1 ILE 52 3HD1 ILE 52 -7.449 -10.741 -7.958 379 H ILE 53 H ILE 53 -4.899 -8.075 -9.022 380 HA ILE 53 HA ILE 53 -2.179 -7.529 -10.009 381 HB ILE 53 HB ILE 53 -4.213 -5.578 -8.893 382 1HG1 ILE 53 2HG1 ILE 53 -3.736 -6.201 -11.812 383 2HG1 ILE 53 1HG1 ILE 53 -4.970 -7.044 -10.874 384 1HG2 ILE 53 1HG2 ILE 53 -1.559 -5.208 -9.492 385 2HG2 ILE 53 2HG2 ILE 53 -2.780 -3.937 -9.541 386 3HG2 ILE 53 3HG2 ILE 53 -2.332 -4.787 -11.020 387 1HD1 ILE 53 1HD1 ILE 53 -6.054 -5.176 -11.934 388 2HD1 ILE 53 2HD1 ILE 53 -4.783 -4.070 -11.411 389 3HD1 ILE 53 3HD1 ILE 53 -5.885 -4.772 -10.225 390 H GLU 54 H GLU 54 -1.171 -8.727 -8.160 391 HA GLU 54 HA GLU 54 -1.315 -8.350 -5.476 392 1HB GLU 54 2HB GLU 54 0.601 -9.390 -7.035 393 2HB GLU 54 1HB GLU 54 1.415 -7.889 -6.588 394 1HG GLU 54 2HG GLU 54 0.602 -8.541 -4.158 395 2HG GLU 54 1HG GLU 54 0.547 -10.166 -4.842 396 H ASP 55 H ASP 55 0.266 -6.014 -7.675 397 HA ASP 55 HA ASP 55 -0.492 -3.833 -5.845 398 1HB ASP 55 2HB ASP 55 2.402 -4.471 -6.497 399 2HB ASP 55 1HB ASP 55 1.856 -2.976 -5.735 400 H ALA 56 H ALA 56 0.154 -1.672 -6.866 401 HA ALA 56 HA ALA 56 0.529 -1.853 -9.807 402 1HB ALA 56 1HB ALA 56 -1.858 -0.694 -8.380 403 2HB ALA 56 2HB ALA 56 -1.822 -1.761 -9.784 404 3HB ALA 56 3HB ALA 56 -1.363 -0.067 -9.952 405 H LYS 57 H LYS 57 2.085 -0.409 -10.351 406 HA LYS 57 HA LYS 57 2.578 1.884 -8.508 407 1HB LYS 57 2HB LYS 57 4.461 0.279 -9.024 408 2HB LYS 57 1HB LYS 57 4.382 0.821 -10.701 409 1HG LYS 57 2HG LYS 57 4.620 3.208 -9.739 410 2HG LYS 57 1HG LYS 57 5.135 2.414 -8.251 411 1HD LYS 57 2HD LYS 57 7.208 2.363 -9.146 412 2HD LYS 57 1HD LYS 57 6.597 1.105 -10.222 413 1HE LYS 57 2HE LYS 57 6.105 2.681 -11.946 414 2HE LYS 57 1HE LYS 57 6.309 4.049 -10.852 415 1HZ LYS 57 1HZ LYS 57 8.654 3.449 -10.629 416 2HZ LYS 57 2HZ LYS 57 8.245 3.796 -12.241 417 3HZ LYS 57 3HZ LYS 57 8.442 2.184 -11.739 418 H PHE 58 H PHE 58 2.532 4.000 -9.306 419 HA PHE 58 HA PHE 58 1.938 4.342 -12.207 420 1HB PHE 58 2HB PHE 58 0.056 5.734 -11.789 421 2HB PHE 58 1HB PHE 58 -0.167 4.343 -10.728 422 HD1 PHE 58 HD1 PHE 58 0.314 7.926 -10.903 423 HD2 PHE 58 HD2 PHE 58 0.551 4.516 -8.301 424 HE1 PHE 58 HE1 PHE 58 0.296 9.430 -8.931 425 HE2 PHE 58 HE2 PHE 58 0.533 6.021 -6.328 426 HZ PHE 58 HZ PHE 58 0.406 8.477 -6.644 427 H LYS 59 H LYS 59 1.941 6.861 -12.656 428 HA LYS 59 HA LYS 59 3.620 8.479 -10.924 429 1HB LYS 59 2HB LYS 59 5.225 6.834 -12.085 430 2HB LYS 59 1HB LYS 59 4.853 7.707 -13.572 431 1HG LYS 59 2HG LYS 59 6.600 9.026 -12.924 432 2HG LYS 59 1HG LYS 59 5.376 9.790 -11.908 433 1HD LYS 59 2HD LYS 59 6.057 7.772 -10.272 434 2HD LYS 59 1HD LYS 59 7.579 7.931 -11.149 435 1HE LYS 59 2HE LYS 59 7.082 10.538 -10.670 436 2HE LYS 59 1HE LYS 59 6.266 9.831 -9.276 437 1HZ LYS 59 1HZ LYS 59 8.274 8.662 -8.702 438 2HZ LYS 59 2HZ LYS 59 8.609 10.322 -8.839 439 3HZ LYS 59 3HZ LYS 59 9.065 9.255 -10.081 440 H THR 60 H THR 60 3.179 10.605 -11.382 441 HA THR 60 HA THR 60 2.276 11.313 -14.124 442 HB THR 60 HB THR 60 0.138 11.159 -13.268 443 HG1 THR 60 HG1 THR 60 0.958 13.632 -12.151 444 1HG2 THR 60 1HG2 THR 60 0.278 10.307 -11.147 445 2HG2 THR 60 2HG2 THR 60 -0.113 11.969 -10.706 446 3HG2 THR 60 3HG2 THR 60 1.562 11.418 -10.674 447 H TYR 61 H TYR 61 2.806 13.442 -14.694 448 HA TYR 61 HA TYR 61 3.700 15.357 -12.670 449 1HB TYR 61 2HB TYR 61 5.981 15.519 -13.990 450 2HB TYR 61 1HB TYR 61 5.790 14.326 -12.705 451 HD1 TYR 61 HD1 TYR 61 5.847 14.843 -16.366 452 HD2 TYR 61 HD2 TYR 61 5.619 11.959 -13.190 453 HE1 TYR 61 HE1 TYR 61 6.268 13.019 -17.992 454 HE2 TYR 61 HE2 TYR 61 6.040 10.135 -14.816 455 HH TYR 61 HH TYR 61 5.579 10.214 -17.826 456 H GLY 62 H GLY 62 2.946 17.266 -13.436 457 1HA GLY 62 2HA GLY 62 3.592 18.571 -15.768 458 2HA GLY 62 1HA GLY 62 2.231 17.560 -16.254 459 H CYS 63 H CYS 63 0.382 17.675 -14.434 460 HA CYS 63 HA CYS 63 0.006 20.576 -13.799 461 1HB CYS 63 2HB CYS 63 -1.454 19.282 -15.640 462 2HB CYS 63 1HB CYS 63 -2.366 18.814 -14.206 463 HG CYS 63 HG CYS 63 -2.254 21.590 -13.743 464 H GLY 64 H GLY 64 -0.764 21.054 -11.745 465 1HA GLY 64 2HA GLY 64 -0.564 18.938 -9.745 466 2HA GLY 64 1HA GLY 64 -0.948 20.630 -9.426 467 H SER 65 H SER 65 -3.008 19.947 -11.811 468 HA SER 65 HA SER 65 -5.194 19.328 -9.904 469 1HB SER 65 2HB SER 65 -6.691 20.080 -11.677 470 2HB SER 65 1HB SER 65 -5.414 21.273 -11.457 471 HG SER 65 HG SER 65 -5.976 19.631 -13.591 472 H ALA 66 H ALA 66 -3.132 17.597 -11.795 473 HA ALA 66 HA ALA 66 -5.189 15.649 -12.700 474 1HB ALA 66 1HB ALA 66 -3.047 14.547 -13.706 475 2HB ALA 66 2HB ALA 66 -2.287 16.100 -13.362 476 3HB ALA 66 3HB ALA 66 -3.670 16.018 -14.453 477 H ILE 67 H ILE 67 -3.533 16.242 -9.943 478 HA ILE 67 HA ILE 67 -2.630 13.507 -9.369 479 HB ILE 67 HB ILE 67 -2.956 15.851 -7.472 480 1HG1 ILE 67 2HG1 ILE 67 -1.472 16.488 -9.296 481 2HG1 ILE 67 1HG1 ILE 67 -0.497 16.154 -7.864 482 1HG2 ILE 67 1HG2 ILE 67 -2.155 14.463 -5.889 483 2HG2 ILE 67 2HG2 ILE 67 -0.811 13.984 -6.924 484 3HG2 ILE 67 3HG2 ILE 67 -2.351 13.133 -7.030 485 1HD1 ILE 67 1HD1 ILE 67 -0.469 13.698 -8.883 486 2HD1 ILE 67 2HD1 ILE 67 0.675 14.922 -9.433 487 3HD1 ILE 67 3HD1 ILE 67 -0.765 14.569 -10.387 488 H ALA 68 H ALA 68 -5.571 15.226 -9.243 489 HA ALA 68 HA ALA 68 -6.788 13.975 -6.961 490 1HB ALA 68 1HB ALA 68 -7.661 16.010 -8.182 491 2HB ALA 68 2HB ALA 68 -8.881 14.778 -7.859 492 3HB ALA 68 3HB ALA 68 -8.186 14.930 -9.473 493 H SER 69 H SER 69 -7.419 13.306 -10.428 494 HA SER 69 HA SER 69 -8.693 10.796 -9.927 495 1HB SER 69 2HB SER 69 -7.639 10.557 -12.471 496 2HB SER 69 1HB SER 69 -9.189 11.296 -12.079 497 HG SER 69 HG SER 69 -7.305 13.084 -11.601 498 H SER 70 H SER 70 -5.323 11.705 -10.334 499 HA SER 70 HA SER 70 -4.244 9.110 -10.834 500 1HB SER 70 2HB SER 70 -3.105 11.485 -10.825 501 2HB SER 70 1HB SER 70 -2.784 11.111 -9.134 502 HG SER 70 HG SER 70 -2.024 8.995 -10.115 503 H SER 71 H SER 71 -4.820 10.847 -7.766 504 HA SER 71 HA SER 71 -3.831 8.756 -6.074 505 1HB SER 71 2HB SER 71 -6.030 10.694 -5.335 506 2HB SER 71 1HB SER 71 -4.840 9.949 -4.272 507 HG SER 71 HG SER 71 -3.895 11.440 -6.428 508 H LEU 72 H LEU 72 -7.019 9.399 -7.477 509 HA LEU 72 HA LEU 72 -8.371 7.320 -5.983 510 1HB LEU 72 2HB LEU 72 -9.255 9.391 -7.472 511 2HB LEU 72 1HB LEU 72 -9.403 8.097 -8.661 512 HG LEU 72 HG LEU 72 -10.528 6.780 -6.694 513 1HD1 LEU 72 1HD1 LEU 72 -9.907 9.076 -5.324 514 2HD1 LEU 72 2HD1 LEU 72 -11.169 7.939 -4.846 515 3HD1 LEU 72 3HD1 LEU 72 -11.583 9.378 -5.781 516 1HD2 LEU 72 1HD2 LEU 72 -12.620 8.524 -7.298 517 2HD2 LEU 72 2HD2 LEU 72 -12.159 7.098 -8.228 518 3HD2 LEU 72 3HD2 LEU 72 -11.526 8.684 -8.671 519 H ILE 73 H ILE 73 -7.967 7.390 -9.528 520 HA ILE 73 HA ILE 73 -8.345 4.787 -10.183 521 HB ILE 73 HB ILE 73 -7.616 6.428 -11.843 522 1HG1 ILE 73 2HG1 ILE 73 -5.406 4.445 -12.025 523 2HG1 ILE 73 1HG1 ILE 73 -7.039 3.787 -11.891 524 1HG2 ILE 73 1HG2 ILE 73 -5.622 7.543 -11.754 525 2HG2 ILE 73 2HG2 ILE 73 -4.747 6.133 -11.158 526 3HG2 ILE 73 3HG2 ILE 73 -5.697 7.117 -10.044 527 1HD1 ILE 73 1HD1 ILE 73 -6.408 5.984 -13.858 528 2HD1 ILE 73 2HD1 ILE 73 -7.759 4.849 -13.871 529 3HD1 ILE 73 3HD1 ILE 73 -6.135 4.290 -14.268 530 H THR 74 H THR 74 -5.282 6.002 -8.796 531 HA THR 74 HA THR 74 -3.922 3.504 -8.773 532 HB THR 74 HB THR 74 -2.571 4.536 -6.912 533 HG1 THR 74 HG1 THR 74 -4.206 6.794 -7.343 534 1HG2 THR 74 1HG2 THR 74 -3.161 6.158 -9.397 535 2HG2 THR 74 2HG2 THR 74 -1.884 4.961 -9.176 536 3HG2 THR 74 3HG2 THR 74 -1.811 6.500 -8.315 537 H GLU 75 H GLU 75 -5.923 5.046 -6.241 538 HA GLU 75 HA GLU 75 -5.668 2.795 -4.434 539 1HB GLU 75 2HB GLU 75 -7.354 5.274 -4.547 540 2HB GLU 75 1HB GLU 75 -7.810 3.980 -3.437 541 1HG GLU 75 2HG GLU 75 -5.720 4.089 -2.290 542 2HG GLU 75 1HG GLU 75 -5.003 5.095 -3.549 543 H TRP 76 H TRP 76 -7.326 3.147 -7.324 544 HA TRP 76 HA TRP 76 -9.538 1.339 -6.490 545 1HB TRP 76 2HB TRP 76 -9.121 3.285 -8.683 546 2HB TRP 76 1HB TRP 76 -9.978 1.812 -9.138 547 HD1 TRP 76 HD1 TRP 76 -10.129 3.912 -5.888 548 HE1 TRP 76 HE1 TRP 76 -12.601 4.470 -5.413 549 HE3 TRP 76 HE3 TRP 76 -12.318 1.794 -9.988 550 HZ2 TRP 76 HZ2 TRP 76 -15.167 4.072 -6.612 551 HZ3 TRP 76 HZ3 TRP 76 -14.775 1.899 -10.296 552 HH2 TRP 76 HH2 TRP 76 -16.200 3.034 -8.615 553 H VAL 77 H VAL 77 -6.566 1.411 -8.317 554 HA VAL 77 HA VAL 77 -7.101 -1.390 -9.222 555 HB VAL 77 HB VAL 77 -5.228 -0.940 -10.864 556 1HG1 VAL 77 1HG1 VAL 77 -7.485 1.055 -11.131 557 2HG1 VAL 77 2HG1 VAL 77 -7.742 -0.680 -11.312 558 3HG1 VAL 77 3HG1 VAL 77 -6.657 0.169 -12.413 559 1HG2 VAL 77 1HG2 VAL 77 -4.896 1.343 -9.239 560 2HG2 VAL 77 2HG2 VAL 77 -5.516 1.944 -10.776 561 3HG2 VAL 77 3HG2 VAL 77 -4.043 0.976 -10.738 562 H LYS 78 H LYS 78 -6.439 -1.453 -6.689 563 HA LYS 78 HA LYS 78 -3.567 -2.241 -6.702 564 1HB LYS 78 2HB LYS 78 -3.851 0.036 -5.653 565 2HB LYS 78 1HB LYS 78 -4.877 -0.719 -4.432 566 1HG LYS 78 2HG LYS 78 -3.065 -1.383 -3.280 567 2HG LYS 78 1HG LYS 78 -2.466 -2.259 -4.688 568 1HD LYS 78 2HD LYS 78 -1.230 -0.408 -5.469 569 2HD LYS 78 1HD LYS 78 -2.138 0.730 -4.472 570 1HE LYS 78 2HE LYS 78 -1.183 -0.549 -2.451 571 2HE LYS 78 1HE LYS 78 -0.048 -1.265 -3.596 572 1HZ LYS 78 1HZ LYS 78 -0.398 1.641 -3.621 573 2HZ LYS 78 2HZ LYS 78 0.982 0.713 -3.966 574 3HZ LYS 78 3HZ LYS 78 0.502 0.958 -2.355 575 H GLY 79 H GLY 79 -3.840 -4.435 -6.477 576 1HA GLY 79 2HA GLY 79 -4.155 -6.374 -5.126 577 2HA GLY 79 1HA GLY 79 -5.082 -5.396 -3.985 578 H LYS 80 H LYS 80 -6.277 -4.584 -6.928 579 HA LYS 80 HA LYS 80 -8.653 -6.263 -6.536 580 1HB LYS 80 2HB LYS 80 -8.024 -4.183 -8.654 581 2HB LYS 80 1HB LYS 80 -9.601 -4.925 -8.381 582 1HG LYS 80 2HG LYS 80 -8.480 -3.854 -5.914 583 2HG LYS 80 1HG LYS 80 -8.639 -2.608 -7.152 584 1HD LYS 80 2HD LYS 80 -10.968 -2.973 -7.384 585 2HD LYS 80 1HD LYS 80 -10.890 -4.526 -6.554 586 1HE LYS 80 2HE LYS 80 -10.225 -3.326 -4.463 587 2HE LYS 80 1HE LYS 80 -10.457 -1.795 -5.311 588 1HZ LYS 80 1HZ LYS 80 -12.720 -2.131 -5.479 589 2HZ LYS 80 2HZ LYS 80 -12.384 -2.757 -3.936 590 3HZ LYS 80 3HZ LYS 80 -12.607 -3.808 -5.252 591 H SER 81 H SER 81 -9.533 -6.764 -9.096 592 HA SER 81 HA SER 81 -7.487 -8.717 -10.051 593 1HB SER 81 2HB SER 81 -9.847 -9.449 -9.255 594 2HB SER 81 1HB SER 81 -10.412 -8.772 -10.780 595 HG SER 81 HG SER 81 -8.226 -10.275 -11.189 596 H LEU 82 H LEU 82 -6.985 -8.808 -12.270 597 HA LEU 82 HA LEU 82 -7.043 -6.363 -13.728 598 1HB LEU 82 2HB LEU 82 -6.117 -9.091 -14.153 599 2HB LEU 82 1HB LEU 82 -6.789 -8.403 -15.632 600 HG LEU 82 HG LEU 82 -4.713 -7.043 -13.890 601 1HD1 LEU 82 1HD1 LEU 82 -4.405 -8.403 -16.585 602 2HD1 LEU 82 2HD1 LEU 82 -3.860 -9.078 -15.050 603 3HD1 LEU 82 3HD1 LEU 82 -3.130 -7.598 -15.671 604 1HD2 LEU 82 1HD2 LEU 82 -6.408 -6.203 -16.125 605 2HD2 LEU 82 2HD2 LEU 82 -4.692 -5.960 -16.452 606 3HD2 LEU 82 3HD2 LEU 82 -5.433 -5.223 -15.031 607 H GLU 83 H GLU 83 -9.308 -9.018 -13.538 608 HA GLU 83 HA GLU 83 -10.784 -8.541 -15.926 609 1HB GLU 83 2HB GLU 83 -11.014 -10.518 -14.342 610 2HB GLU 83 1HB GLU 83 -11.953 -9.459 -13.289 611 1HG GLU 83 2HG GLU 83 -13.680 -9.210 -14.879 612 2HG GLU 83 1HG GLU 83 -12.662 -9.779 -16.202 613 H GLU 84 H GLU 84 -10.998 -7.070 -12.701 614 HA GLU 84 HA GLU 84 -13.326 -5.462 -13.435 615 1HB GLU 84 2HB GLU 84 -11.565 -5.739 -11.037 616 2HB GLU 84 1HB GLU 84 -12.478 -4.240 -11.219 617 1HG GLU 84 2HG GLU 84 -14.539 -5.681 -11.609 618 2HG GLU 84 1HG GLU 84 -13.569 -7.059 -11.089 619 H ALA 85 H ALA 85 -9.837 -5.080 -13.463 620 HA ALA 85 HA ALA 85 -9.852 -2.201 -13.753 621 1HB ALA 85 1HB ALA 85 -7.899 -4.262 -13.538 622 2HB ALA 85 2HB ALA 85 -7.640 -2.518 -13.485 623 3HB ALA 85 3HB ALA 85 -7.561 -3.375 -15.024 624 H GLY 86 H GLY 86 -10.058 -4.922 -15.980 625 1HA GLY 86 2HA GLY 86 -9.869 -3.133 -18.323 626 2HA GLY 86 1HA GLY 86 -10.042 -4.888 -18.373 627 H ALA 87 H ALA 87 -12.108 -2.859 -16.383 628 HA ALA 87 HA ALA 87 -14.272 -2.801 -18.353 629 1HB ALA 87 1HB ALA 87 -15.802 -4.250 -17.171 630 2HB ALA 87 2HB ALA 87 -14.649 -4.473 -15.854 631 3HB ALA 87 3HB ALA 87 -14.315 -5.160 -17.444 632 H ILE 88 H ILE 88 -12.666 -1.159 -16.278 633 HA ILE 88 HA ILE 88 -14.857 -0.180 -14.549 634 HB ILE 88 HB ILE 88 -12.834 1.482 -13.973 635 1HG1 ILE 88 2HG1 ILE 88 -11.436 -1.028 -14.940 636 2HG1 ILE 88 1HG1 ILE 88 -11.470 0.481 -15.854 637 1HG2 ILE 88 1HG2 ILE 88 -12.002 -0.634 -12.516 638 2HG2 ILE 88 2HG2 ILE 88 -13.549 -1.265 -13.081 639 3HG2 ILE 88 3HG2 ILE 88 -13.494 0.238 -12.159 640 1HD1 ILE 88 1HD1 ILE 88 -9.481 -0.060 -14.166 641 2HD1 ILE 88 2HD1 ILE 88 -10.619 0.597 -12.990 642 3HD1 ILE 88 3HD1 ILE 88 -10.095 1.582 -14.355 643 H LYS 89 H LYS 89 -13.174 0.649 -17.479 644 HA LYS 89 HA LYS 89 -13.465 2.430 -18.978 645 1HB LYS 89 2HB LYS 89 -16.117 2.503 -17.514 646 2HB LYS 89 1HB LYS 89 -15.763 3.473 -18.944 647 1HG LYS 89 2HG LYS 89 -14.981 1.041 -19.837 648 2HG LYS 89 1HG LYS 89 -16.252 0.555 -18.715 649 1HD LYS 89 2HD LYS 89 -17.760 2.251 -19.827 650 2HD LYS 89 1HD LYS 89 -16.505 2.471 -21.047 651 1HE LYS 89 2HE LYS 89 -17.439 0.733 -22.146 652 2HE LYS 89 1HE LYS 89 -16.786 -0.296 -20.871 653 1HZ LYS 89 1HZ LYS 89 -18.781 -0.379 -19.785 654 2HZ LYS 89 2HZ LYS 89 -19.321 -0.291 -21.394 655 3HZ LYS 89 3HZ LYS 89 -19.328 1.098 -20.415 656 H ASN 90 H ASN 90 -13.314 4.753 -19.082 657 HA ASN 90 HA ASN 90 -12.348 5.944 -16.592 658 1HB ASN 90 2HB ASN 90 -12.001 7.969 -18.064 659 2HB ASN 90 1HB ASN 90 -11.178 6.515 -18.629 660 1HD2 ASN 90 1HD2 ASN 90 -12.886 9.044 -19.833 661 2HD2 ASN 90 2HD2 ASN 90 -13.651 8.294 -21.151 662 H SER 91 H SER 91 -15.316 5.885 -18.384 663 HA SER 91 HA SER 91 -16.477 8.336 -17.513 664 1HB SER 91 2HB SER 91 -17.993 5.745 -17.888 665 2HB SER 91 1HB SER 91 -18.586 7.386 -18.126 666 HG SER 91 HG SER 91 -16.963 7.549 -19.809 667 H GLN 92 H GLN 92 -16.336 5.129 -15.988 668 HA GLN 92 HA GLN 92 -18.037 5.731 -13.775 669 1HB GLN 92 2HB GLN 92 -16.839 3.476 -14.619 670 2HB GLN 92 1HB GLN 92 -15.700 3.927 -13.351 671 1HG GLN 92 2HG GLN 92 -17.369 3.854 -11.668 672 2HG GLN 92 1HG GLN 92 -18.679 3.869 -12.850 673 1HE2 GLN 92 1HE2 GLN 92 -19.640 1.835 -12.392 674 2HE2 GLN 92 2HE2 GLN 92 -18.816 0.358 -12.533 675 H ILE 93 H ILE 93 -14.480 5.952 -14.110 676 HA ILE 93 HA ILE 93 -14.016 6.962 -11.474 677 HB ILE 93 HB ILE 93 -12.456 7.303 -14.050 678 1HG1 ILE 93 2HG1 ILE 93 -11.799 5.631 -11.616 679 2HG1 ILE 93 1HG1 ILE 93 -12.759 4.999 -12.954 680 1HG2 ILE 93 1HG2 ILE 93 -10.604 7.765 -12.202 681 2HG2 ILE 93 2HG2 ILE 93 -11.995 8.320 -11.271 682 3HG2 ILE 93 3HG2 ILE 93 -11.611 9.076 -12.817 683 1HD1 ILE 93 1HD1 ILE 93 -10.424 4.411 -13.317 684 2HD1 ILE 93 2HD1 ILE 93 -9.938 6.095 -13.122 685 3HD1 ILE 93 3HD1 ILE 93 -10.904 5.612 -14.515 686 H ALA 94 H ALA 94 -14.831 8.543 -14.534 687 HA ALA 94 HA ALA 94 -14.436 11.239 -13.603 688 1HB ALA 94 1HB ALA 94 -14.581 10.784 -15.988 689 2HB ALA 94 2HB ALA 94 -15.921 11.840 -15.539 690 3HB ALA 94 3HB ALA 94 -16.203 10.118 -15.801 691 H GLU 95 H GLU 95 -17.297 9.118 -13.747 692 HA GLU 95 HA GLU 95 -19.116 11.061 -12.653 693 1HB GLU 95 2HB GLU 95 -19.136 8.121 -13.142 694 2HB GLU 95 1HB GLU 95 -20.283 8.739 -11.953 695 1HG GLU 95 2HG GLU 95 -21.460 9.964 -13.516 696 2HG GLU 95 1HG GLU 95 -20.046 10.208 -14.543 697 H GLU 96 H GLU 96 -16.904 8.723 -11.223 698 HA GLU 96 HA GLU 96 -17.961 8.857 -8.549 699 1HB GLU 96 2HB GLU 96 -16.047 7.339 -9.788 700 2HB GLU 96 1HB GLU 96 -15.050 8.429 -8.822 701 1HG GLU 96 2HG GLU 96 -15.460 6.739 -7.279 702 2HG GLU 96 1HG GLU 96 -16.793 7.839 -6.924 703 H LEU 97 H LEU 97 -15.418 10.680 -10.252 704 HA LEU 97 HA LEU 97 -15.095 12.409 -7.860 705 1HB LEU 97 2HB LEU 97 -13.201 11.439 -9.492 706 2HB LEU 97 1HB LEU 97 -13.574 12.921 -10.373 707 HG LEU 97 HG LEU 97 -13.436 13.965 -7.916 708 1HD1 LEU 97 1HD1 LEU 97 -11.564 12.864 -6.686 709 2HD1 LEU 97 2HD1 LEU 97 -11.621 11.536 -7.845 710 3HD1 LEU 97 3HD1 LEU 97 -12.999 11.844 -6.787 711 1HD2 LEU 97 1HD2 LEU 97 -10.936 13.254 -9.475 712 2HD2 LEU 97 2HD2 LEU 97 -11.190 14.670 -8.455 713 3HD2 LEU 97 3HD2 LEU 97 -12.068 14.510 -9.976 714 H GLU 98 H GLU 98 -16.201 12.518 -11.219 715 HA GLU 98 HA GLU 98 -17.718 14.056 -12.183 716 1HB GLU 98 2HB GLU 98 -18.349 14.318 -9.597 717 2HB GLU 98 1HB GLU 98 -17.574 15.886 -9.826 718 1HG GLU 98 2HG GLU 98 -19.054 16.206 -11.860 719 2HG GLU 98 1HG GLU 98 -19.932 14.761 -11.357 720 H LEU 99 H LEU 99 -14.781 14.185 -12.313 721 HA LEU 99 HA LEU 99 -13.647 16.713 -12.026 722 1HB LEU 99 2HB LEU 99 -12.179 16.136 -13.911 723 2HB LEU 99 1HB LEU 99 -12.424 14.729 -12.876 724 HG LEU 99 HG LEU 99 -14.520 14.486 -14.626 725 1HD1 LEU 99 1HD1 LEU 99 -12.140 15.592 -16.148 726 2HD1 LEU 99 2HD1 LEU 99 -13.725 16.352 -16.003 727 3HD1 LEU 99 3HD1 LEU 99 -13.551 14.836 -16.888 728 1HD2 LEU 99 1HD2 LEU 99 -11.721 13.412 -15.089 729 2HD2 LEU 99 2HD2 LEU 99 -13.237 12.668 -15.599 730 3HD2 LEU 99 3HD2 LEU 99 -12.836 12.767 -13.885 731 HA PRO 100 HA PRO 100 -16.004 19.385 -14.633 732 1HB PRO 100 2HB PRO 100 -14.055 21.230 -15.267 733 2HB PRO 100 1HB PRO 100 -14.920 21.187 -13.720 734 1HG PRO 100 2HG PRO 100 -12.198 20.213 -14.394 735 2HG PRO 100 1HG PRO 100 -12.797 20.965 -12.906 736 1HD PRO 100 2HD PRO 100 -12.362 18.268 -13.151 737 2HD PRO 100 1HD PRO 100 -13.566 18.965 -12.045 738 HA PRO 101 HA PRO 101 -15.186 18.052 -18.787 739 1HB PRO 101 2HB PRO 101 -16.696 19.897 -20.144 740 2HB PRO 101 1HB PRO 101 -17.383 18.510 -19.276 741 1HG PRO 101 2HG PRO 101 -17.212 21.361 -18.457 742 2HG PRO 101 1HG PRO 101 -18.503 20.180 -18.183 743 1HD PRO 101 2HD PRO 101 -16.686 20.894 -16.253 744 2HD PRO 101 1HD PRO 101 -17.492 19.310 -16.299 745 H VAL 102 H VAL 102 -13.587 20.469 -17.478 746 HA VAL 102 HA VAL 102 -12.741 21.793 -20.003 747 HB VAL 102 HB VAL 102 -11.671 23.434 -18.621 748 1HG1 VAL 102 1HG1 VAL 102 -14.342 22.511 -17.553 749 2HG1 VAL 102 2HG1 VAL 102 -14.010 23.848 -18.654 750 3HG1 VAL 102 3HG1 VAL 102 -13.560 23.973 -16.952 751 1HG2 VAL 102 1HG2 VAL 102 -11.989 22.864 -15.992 752 2HG2 VAL 102 2HG2 VAL 102 -10.531 22.449 -16.892 753 3HG2 VAL 102 3HG2 VAL 102 -11.780 21.232 -16.626 754 H LYS 103 H LYS 103 -12.021 19.006 -18.543 755 HA LYS 103 HA LYS 103 -9.336 18.907 -19.700 756 1HB LYS 103 2HB LYS 103 -9.548 19.662 -17.012 757 2HB LYS 103 1HB LYS 103 -9.145 17.946 -16.958 758 1HG LYS 103 2HG LYS 103 -7.175 18.270 -18.274 759 2HG LYS 103 1HG LYS 103 -7.650 19.915 -18.700 760 1HD LYS 103 2HD LYS 103 -6.624 20.718 -16.868 761 2HD LYS 103 1HD LYS 103 -7.610 19.680 -15.838 762 1HE LYS 103 2HE LYS 103 -5.081 19.332 -15.680 763 2HE LYS 103 1HE LYS 103 -6.043 17.884 -15.978 764 1HZ LYS 103 1HZ LYS 103 -5.342 17.742 -18.127 765 2HZ LYS 103 2HZ LYS 103 -3.959 18.443 -17.432 766 3HZ LYS 103 3HZ LYS 103 -5.068 19.409 -18.281 767 H VAL 104 H VAL 104 -12.047 17.554 -19.785 768 HA VAL 104 HA VAL 104 -12.270 15.063 -18.682 769 HB VAL 104 HB VAL 104 -12.523 15.551 -21.663 770 1HG1 VAL 104 1HG1 VAL 104 -14.480 13.860 -20.279 771 2HG1 VAL 104 2HG1 VAL 104 -12.837 13.224 -20.191 772 3HG1 VAL 104 3HG1 VAL 104 -13.574 13.547 -21.760 773 1HG2 VAL 104 1HG2 VAL 104 -14.804 16.277 -21.190 774 2HG2 VAL 104 2HG2 VAL 104 -13.684 17.277 -20.264 775 3HG2 VAL 104 3HG2 VAL 104 -14.573 15.981 -19.467 776 H HIS 105 H HIS 105 -9.759 16.080 -20.899 777 HA HIS 105 HA HIS 105 -8.762 13.733 -21.956 778 1HB HIS 105 2HB HIS 105 -7.179 15.952 -20.626 779 2HB HIS 105 1HB HIS 105 -6.474 14.709 -21.660 780 HD2 HIS 105 HD2 HIS 105 -6.013 17.291 -23.245 781 HE1 HIS 105 HE1 HIS 105 -9.861 16.979 -24.958 782 HE2 HIS 105 HE2 HIS 105 -7.599 18.111 -25.148 783 H CYS 106 H CYS 106 -8.770 14.671 -18.574 784 HA CYS 106 HA CYS 106 -6.860 12.734 -17.651 785 1HB CYS 106 2HB CYS 106 -9.181 13.544 -15.941 786 2HB CYS 106 1HB CYS 106 -7.479 13.382 -15.512 787 HG CYS 106 HG CYS 106 -7.316 15.820 -15.881 788 H SER 107 H SER 107 -10.361 12.594 -18.197 789 HA SER 107 HA SER 107 -10.734 10.001 -16.998 790 1HB SER 107 2HB SER 107 -12.469 10.857 -19.269 791 2HB SER 107 1HB SER 107 -12.920 10.178 -17.708 792 HG SER 107 HG SER 107 -13.108 12.634 -18.325 793 H ILE 108 H ILE 108 -10.724 10.896 -20.474 794 HA ILE 108 HA ILE 108 -10.601 8.290 -21.512 795 HB ILE 108 HB ILE 108 -9.374 10.858 -22.550 796 1HG1 ILE 108 2HG1 ILE 108 -11.868 9.318 -23.343 797 2HG1 ILE 108 1HG1 ILE 108 -11.856 10.763 -22.331 798 1HG2 ILE 108 1HG2 ILE 108 -9.393 8.069 -23.638 799 2HG2 ILE 108 2HG2 ILE 108 -8.159 9.322 -23.785 800 3HG2 ILE 108 3HG2 ILE 108 -9.621 9.405 -24.767 801 1HD1 ILE 108 1HD1 ILE 108 -10.425 11.703 -24.401 802 2HD1 ILE 108 2HD1 ILE 108 -12.186 11.789 -24.360 803 3HD1 ILE 108 3HD1 ILE 108 -11.387 10.500 -25.260 804 H LEU 109 H LEU 109 -8.011 10.288 -20.181 805 HA LEU 109 HA LEU 109 -5.824 8.656 -21.058 806 1HB LEU 109 2HB LEU 109 -6.245 10.855 -19.157 807 2HB LEU 109 1HB LEU 109 -4.993 9.721 -18.647 808 HG LEU 109 HG LEU 109 -3.903 9.940 -20.857 809 1HD1 LEU 109 1HD1 LEU 109 -6.400 10.952 -21.622 810 2HD1 LEU 109 2HD1 LEU 109 -4.944 10.900 -22.614 811 3HD1 LEU 109 3HD1 LEU 109 -5.321 12.346 -21.678 812 1HD2 LEU 109 1HD2 LEU 109 -2.924 12.069 -20.447 813 2HD2 LEU 109 2HD2 LEU 109 -3.465 11.515 -18.862 814 3HD2 LEU 109 3HD2 LEU 109 -4.413 12.707 -19.750 815 H ALA 110 H ALA 110 -7.799 8.610 -18.093 816 HA ALA 110 HA ALA 110 -6.384 6.576 -16.718 817 1HB ALA 110 1HB ALA 110 -9.323 6.449 -16.482 818 2HB ALA 110 2HB ALA 110 -8.639 8.051 -16.211 819 3HB ALA 110 3HB ALA 110 -8.103 6.686 -15.231 820 H GLU 111 H GLU 111 -9.278 6.214 -18.808 821 HA GLU 111 HA GLU 111 -9.253 3.361 -18.803 822 1HB GLU 111 2HB GLU 111 -11.226 4.516 -19.571 823 2HB GLU 111 1HB GLU 111 -10.313 5.350 -20.830 824 1HG GLU 111 2HG GLU 111 -10.052 3.396 -22.113 825 2HG GLU 111 1HG GLU 111 -10.403 2.340 -20.744 826 H ASP 112 H ASP 112 -8.084 5.599 -21.350 827 HA ASP 112 HA ASP 112 -6.920 3.729 -23.063 828 1HB ASP 112 2HB ASP 112 -7.030 6.328 -23.234 829 2HB ASP 112 1HB ASP 112 -5.475 6.288 -22.402 830 H ALA 113 H ALA 113 -5.735 4.878 -19.956 831 HA ALA 113 HA ALA 113 -3.062 3.862 -20.185 832 1HB ALA 113 1HB ALA 113 -4.685 5.098 -18.165 833 2HB ALA 113 2HB ALA 113 -2.929 4.939 -18.215 834 3HB ALA 113 3HB ALA 113 -3.909 3.673 -17.474 835 H ILE 114 H ILE 114 -5.747 2.480 -18.247 836 HA ILE 114 HA ILE 114 -4.589 -0.021 -17.767 837 HB ILE 114 HB ILE 114 -6.991 1.081 -17.171 838 1HG1 ILE 114 2HG1 ILE 114 -7.584 -1.427 -16.535 839 2HG1 ILE 114 1HG1 ILE 114 -5.920 -1.714 -17.047 840 1HG2 ILE 114 1HG2 ILE 114 -7.708 -1.188 -19.032 841 2HG2 ILE 114 2HG2 ILE 114 -7.723 0.492 -19.565 842 3HG2 ILE 114 3HG2 ILE 114 -8.789 -0.028 -18.260 843 1HD1 ILE 114 1HD1 ILE 114 -6.753 0.374 -15.012 844 2HD1 ILE 114 2HD1 ILE 114 -5.102 -0.046 -15.468 845 3HD1 ILE 114 3HD1 ILE 114 -6.103 -1.214 -14.607 846 H LYS 115 H LYS 115 -6.077 1.188 -20.707 847 HA LYS 115 HA LYS 115 -6.259 -1.390 -22.020 848 1HB LYS 115 2HB LYS 115 -7.631 0.451 -22.815 849 2HB LYS 115 1HB LYS 115 -6.199 1.433 -23.127 850 1HG LYS 115 2HG LYS 115 -5.453 -0.104 -24.852 851 2HG LYS 115 1HG LYS 115 -6.760 -1.226 -24.471 852 1HD LYS 115 2HD LYS 115 -8.427 0.406 -25.179 853 2HD LYS 115 1HD LYS 115 -7.170 1.614 -25.452 854 1HE LYS 115 2HE LYS 115 -7.863 0.533 -27.570 855 2HE LYS 115 1HE LYS 115 -6.171 0.205 -27.200 856 1HZ LYS 115 1HZ LYS 115 -6.868 -1.891 -27.639 857 2HZ LYS 115 2HZ LYS 115 -8.470 -1.595 -27.156 858 3HZ LYS 115 3HZ LYS 115 -7.261 -1.848 -25.989 859 H ALA 116 H ALA 116 -3.873 1.258 -22.066 860 HA ALA 116 HA ALA 116 -2.132 -0.032 -23.971 861 1HB ALA 116 1HB ALA 116 -2.059 2.407 -23.486 862 2HB ALA 116 2HB ALA 116 -0.481 1.646 -23.283 863 3HB ALA 116 3HB ALA 116 -1.455 2.048 -21.870 864 H ALA 117 H ALA 117 -2.474 -0.173 -20.470 865 HA ALA 117 HA ALA 117 0.040 -1.520 -19.987 866 1HB ALA 117 1HB ALA 117 -2.177 -0.573 -18.431 867 2HB ALA 117 2HB ALA 117 -0.578 -1.063 -17.870 868 3HB ALA 117 3HB ALA 117 -1.870 -2.255 -18.002 869 H ILE 118 H ILE 118 -3.328 -2.756 -19.949 870 HA ILE 118 HA ILE 118 -2.776 -5.486 -19.754 871 HB ILE 118 HB ILE 118 -4.943 -3.962 -21.190 872 1HG1 ILE 118 2HG1 ILE 118 -5.034 -5.908 -18.865 873 2HG1 ILE 118 1HG1 ILE 118 -4.842 -4.166 -18.669 874 1HG2 ILE 118 1HG2 ILE 118 -5.106 -5.804 -22.548 875 2HG2 ILE 118 2HG2 ILE 118 -5.945 -6.469 -21.147 876 3HG2 ILE 118 3HG2 ILE 118 -4.243 -6.844 -21.415 877 1HD1 ILE 118 1HD1 ILE 118 -7.153 -4.366 -18.500 878 2HD1 ILE 118 2HD1 ILE 118 -7.222 -5.713 -19.638 879 3HD1 ILE 118 3HD1 ILE 118 -6.974 -4.070 -20.229 880 H ALA 119 H ALA 119 -2.829 -3.490 -22.708 881 HA ALA 119 HA ALA 119 -2.341 -5.565 -24.575 882 1HB ALA 119 1HB ALA 119 -2.181 -2.652 -24.531 883 2HB ALA 119 2HB ALA 119 -2.623 -3.727 -25.859 884 3HB ALA 119 3HB ALA 119 -0.925 -3.364 -25.545 885 H ASP 120 H ASP 120 0.098 -3.332 -23.181 886 HA ASP 120 HA ASP 120 2.398 -4.587 -24.140 887 1HB ASP 120 2HB ASP 120 1.788 -3.043 -21.645 888 2HB ASP 120 1HB ASP 120 3.358 -3.834 -21.790 889 H TYR 121 H TYR 121 0.372 -5.537 -21.399 890 HA TYR 121 HA TYR 121 2.161 -7.579 -20.419 891 1HB TYR 121 2HB TYR 121 0.448 -6.739 -18.946 892 2HB TYR 121 1HB TYR 121 -0.821 -7.160 -20.094 893 HD1 TYR 121 HD1 TYR 121 -1.489 -9.493 -20.445 894 HD2 TYR 121 HD2 TYR 121 1.561 -8.449 -17.607 895 HE1 TYR 121 HE1 TYR 121 -1.651 -11.754 -19.441 896 HE2 TYR 121 HE2 TYR 121 1.401 -10.711 -16.603 897 HH TYR 121 HH TYR 121 -0.041 -12.558 -16.459 898 H LYS 122 H LYS 122 -1.000 -8.019 -22.059 899 HA LYS 122 HA LYS 122 -0.692 -10.735 -22.682 900 1HB LYS 122 2HB LYS 122 -2.697 -9.092 -23.090 901 2HB LYS 122 1HB LYS 122 -1.957 -8.876 -24.676 902 1HG LYS 122 2HG LYS 122 -3.047 -10.751 -25.304 903 2HG LYS 122 1HG LYS 122 -1.902 -11.634 -24.292 904 1HD LYS 122 2HD LYS 122 -4.084 -12.292 -23.556 905 2HD LYS 122 1HD LYS 122 -3.468 -11.178 -22.335 906 1HE LYS 122 2HE LYS 122 -4.961 -9.527 -22.888 907 2HE LYS 122 1HE LYS 122 -4.977 -9.967 -24.596 908 1HZ LYS 122 1HZ LYS 122 -6.734 -11.263 -24.290 909 2HZ LYS 122 2HZ LYS 122 -6.888 -10.588 -22.738 910 3HZ LYS 122 3HZ LYS 122 -6.037 -12.042 -22.955 911 H ALA 123 H ALA 123 0.857 -7.970 -24.133 912 HA ALA 123 HA ALA 123 1.608 -9.156 -26.630 913 1HB ALA 123 1HB ALA 123 2.351 -6.788 -25.062 914 2HB ALA 123 2HB ALA 123 2.192 -6.973 -26.808 915 3HB ALA 123 3HB ALA 123 3.689 -7.447 -26.004 916 H LYS 124 H LYS 124 2.425 -10.092 -23.526 917 HA LYS 124 HA LYS 124 5.052 -11.194 -24.437 918 1HB LYS 124 2HB LYS 124 4.079 -10.112 -21.877 919 2HB LYS 124 1HB LYS 124 4.961 -11.632 -21.723 920 1HG LYS 124 2HG LYS 124 6.900 -10.738 -22.778 921 2HG LYS 124 1HG LYS 124 6.020 -9.327 -23.367 922 1HD LYS 124 2HD LYS 124 5.614 -9.177 -20.640 923 2HD LYS 124 1HD LYS 124 7.262 -9.795 -20.745 924 1HE LYS 124 2HE LYS 124 6.147 -7.208 -21.795 925 2HE LYS 124 1HE LYS 124 7.604 -7.481 -20.840 926 1HZ LYS 124 1HZ LYS 124 7.465 -7.220 -23.563 927 2HZ LYS 124 2HZ LYS 124 7.686 -8.887 -23.316 928 3HZ LYS 124 3HZ LYS 124 8.796 -7.775 -22.672 929 H GLN 125 H GLN 125 1.886 -11.994 -23.150 930 HA GLN 125 HA GLN 125 2.555 -14.795 -22.660 931 1HB GLN 125 2HB GLN 125 0.695 -13.470 -21.507 932 2HB GLN 125 1HB GLN 125 -0.216 -13.629 -23.009 933 1HG GLN 125 2HG GLN 125 -0.960 -15.520 -21.906 934 2HG GLN 125 1HG GLN 125 0.450 -16.192 -22.726 935 1HE2 GLN 125 1HE2 GLN 125 -0.534 -17.320 -20.276 936 2HE2 GLN 125 2HE2 GLN 125 0.624 -17.054 -19.065 937 H GLY 126 H GLY 126 1.890 -12.942 -25.428 938 1HA GLY 126 2HA GLY 126 0.731 -15.213 -26.932 939 2HA GLY 126 1HA GLY 126 0.963 -13.578 -27.551 940 H LEU 127 H LEU 127 3.796 -13.818 -26.257 941 HA LEU 127 HA LEU 127 5.082 -14.741 -28.721 942 1HB LEU 127 2HB LEU 127 5.944 -12.779 -27.474 943 2HB LEU 127 1HB LEU 127 6.305 -13.825 -26.100 944 HG LEU 127 HG LEU 127 7.809 -15.172 -27.554 945 1HD1 LEU 127 1HD1 LEU 127 6.811 -13.187 -29.570 946 2HD1 LEU 127 2HD1 LEU 127 7.080 -14.921 -29.750 947 3HD1 LEU 127 3HD1 LEU 127 8.453 -13.812 -29.730 948 1HD2 LEU 127 1HD2 LEU 127 9.218 -13.722 -26.505 949 2HD2 LEU 127 2HD2 LEU 127 8.192 -12.331 -26.854 950 3HD2 LEU 127 3HD2 LEU 127 9.309 -12.931 -28.079 951 H GLU 128 H GLU 128 4.229 -16.110 -25.676 952 HA GLU 128 HA GLU 128 6.026 -18.438 -26.233 953 1HB GLU 128 2HB GLU 128 5.010 -18.615 -23.591 954 2HB GLU 128 1HB GLU 128 6.668 -18.261 -24.080 955 1HG GLU 128 2HG GLU 128 6.149 -15.872 -24.218 956 2HG GLU 128 1HG GLU 128 4.464 -16.197 -23.808 957 H HIS 129 H HIS 129 2.885 -17.689 -24.670 958 HA HIS 129 HA HIS 129 1.917 -20.386 -25.387 959 1HB HIS 129 2HB HIS 129 0.544 -18.119 -23.908 960 2HB HIS 129 1HB HIS 129 -0.075 -19.763 -24.073 961 HD2 HIS 129 HD2 HIS 129 3.405 -20.628 -23.531 962 HE1 HIS 129 HE1 HIS 129 2.103 -19.763 -19.607 963 HE2 HIS 129 HE2 HIS 129 3.931 -20.855 -20.986 964 H HIS 130 H HIS 130 -0.811 -19.764 -25.794 965 HA HIS 130 HA HIS 130 -0.926 -17.901 -28.082 966 1HB HIS 130 2HB HIS 130 -1.534 -20.862 -28.361 967 2HB HIS 130 1HB HIS 130 -1.843 -19.639 -29.594 968 HD2 HIS 130 HD2 HIS 130 1.109 -21.779 -28.275 969 HE1 HIS 130 HE1 HIS 130 2.715 -19.037 -31.055 970 HE2 HIS 130 HE2 HIS 130 3.211 -21.097 -29.661 971 H HIS 131 H HIS 131 -2.176 -18.676 -25.305 972 HA HIS 131 HA HIS 131 -4.281 -18.368 -24.322 973 1HB HIS 131 2HB HIS 131 -5.216 -17.427 -27.043 974 2HB HIS 131 1HB HIS 131 -5.870 -16.993 -25.463 975 HD2 HIS 131 HD2 HIS 131 -4.287 -15.105 -23.991 976 HE1 HIS 131 HE1 HIS 131 -1.657 -14.226 -27.176 977 HE2 HIS 131 HE2 HIS 131 -2.395 -13.528 -24.852 978 H HIS 132 H HIS 132 -6.659 -18.624 -26.417 979 HA HIS 132 HA HIS 132 -8.131 -20.365 -26.980 980 1HB HIS 132 2HB HIS 132 -5.461 -21.178 -27.842 981 2HB HIS 132 1HB HIS 132 -6.478 -22.566 -27.452 982 HD2 HIS 132 HD2 HIS 132 -5.836 -20.496 -30.485 983 HE1 HIS 132 HE1 HIS 132 -9.903 -21.584 -30.835 984 HE2 HIS 132 HE2 HIS 132 -7.904 -20.624 -32.069 985 H HIS 133 H HIS 133 -9.177 -20.851 -25.059 986 HA HIS 133 HA HIS 133 -7.952 -23.037 -23.429 987 1HB HIS 133 2HB HIS 133 -7.755 -20.923 -22.196 988 2HB HIS 133 1HB HIS 133 -9.481 -20.624 -22.407 989 HD2 HIS 133 HD2 HIS 133 -7.135 -23.026 -20.332 990 HE1 HIS 133 HE1 HIS 133 -11.074 -23.397 -18.853 991 HE2 HIS 133 HE2 HIS 133 -8.655 -24.061 -18.481 992 H HIS 134 HN HIS 134 -10.865 -21.492 -24.678 993 HA HIS 134 HA HIS 134 -12.339 -24.022 -24.066 994 1HB HIS 134 2HB HIS 134 -14.275 -22.824 -23.438 995 2HB HIS 134 1HB HIS 134 -12.965 -21.938 -22.658 996 HD2 HIS 134 HD2 HIS 134 -15.813 -21.258 -25.135 997 HE1 HIS 134 HE1 HIS 134 -13.165 -17.984 -25.462 998 HE2 HIS 134 HE2 HIS 134 -15.463 -18.857 -26.093 Start of MODEL 7 1 1H MET 1 1H MET 1 17.759 6.298 -1.793 2 2H MET 1 2H MET 1 19.015 5.273 -1.285 3 3H MET 1 3H MET 1 18.783 5.583 -2.939 4 HA MET 1 HA MET 1 20.532 6.882 -1.333 5 1HB MET 1 2HB MET 1 19.174 7.758 -3.900 6 2HB MET 1 1HB MET 1 20.626 8.515 -3.243 7 1HG MET 1 2HG MET 1 21.611 6.118 -3.212 8 2HG MET 1 1HG MET 1 20.286 5.713 -4.301 9 1HE MET 1 1HE MET 1 22.928 8.213 -3.440 10 2HE MET 1 2HE MET 1 23.790 8.559 -4.936 11 3HE MET 1 3HE MET 1 23.941 6.971 -4.190 12 H ALA 2 H ALA 2 17.249 7.973 -2.171 13 HA ALA 2 HA ALA 2 17.456 10.578 -1.021 14 1HB ALA 2 1HB ALA 2 15.157 8.718 -1.595 15 2HB ALA 2 2HB ALA 2 15.555 10.256 -2.363 16 3HB ALA 2 3HB ALA 2 14.883 10.233 -0.733 17 H TYR 3 H TYR 3 18.156 10.833 1.059 18 HA TYR 3 HA TYR 3 18.424 10.374 3.366 19 1HB TYR 3 2HB TYR 3 15.462 10.408 2.816 20 2HB TYR 3 1HB TYR 3 16.067 10.146 4.451 21 HD1 TYR 3 HD1 TYR 3 16.965 11.935 5.746 22 HD2 TYR 3 HD2 TYR 3 16.110 12.504 1.576 23 HE1 TYR 3 HE1 TYR 3 17.327 14.375 6.005 24 HE2 TYR 3 HE2 TYR 3 16.474 14.944 1.834 25 HH TYR 3 HH TYR 3 17.193 16.364 5.019 26 H SER 4 H SER 4 19.215 8.113 2.223 27 HA SER 4 HA SER 4 18.191 6.045 4.029 28 1HB SER 4 2HB SER 4 17.969 5.648 1.033 29 2HB SER 4 1HB SER 4 17.560 4.468 2.274 30 HG SER 4 HG SER 4 16.390 7.042 2.182 31 H GLU 5 H GLU 5 20.134 5.358 4.796 32 HA GLU 5 HA GLU 5 22.344 4.933 2.826 33 1HB GLU 5 2HB GLU 5 22.531 6.523 4.936 34 2HB GLU 5 1HB GLU 5 22.805 5.003 5.789 35 1HG GLU 5 2HG GLU 5 24.980 5.547 5.179 36 2HG GLU 5 1HG GLU 5 24.494 4.560 3.801 37 H LYS 6 H LYS 6 21.407 2.819 2.284 38 HA LYS 6 HA LYS 6 21.079 0.793 4.334 39 1HB LYS 6 2HB LYS 6 21.427 0.441 1.342 40 2HB LYS 6 1HB LYS 6 20.776 -0.752 2.466 41 1HG LYS 6 2HG LYS 6 19.484 1.932 2.456 42 2HG LYS 6 1HG LYS 6 19.188 0.898 1.058 43 1HD LYS 6 2HD LYS 6 18.123 -0.741 2.323 44 2HD LYS 6 1HD LYS 6 18.937 -0.262 3.813 45 1HE LYS 6 2HE LYS 6 17.519 1.574 4.153 46 2HE LYS 6 1HE LYS 6 17.040 1.638 2.457 47 1HZ LYS 6 1HZ LYS 6 15.950 0.077 4.612 48 2HZ LYS 6 2HZ LYS 6 16.257 -0.834 3.211 49 3HZ LYS 6 3HZ LYS 6 15.245 0.529 3.138 50 H VAL 7 H VAL 7 22.779 -0.704 1.910 51 HA VAL 7 HA VAL 7 25.371 -0.443 3.378 52 HB VAL 7 HB VAL 7 25.034 -3.080 2.237 53 1HG1 VAL 7 1HG1 VAL 7 25.109 -2.377 5.168 54 2HG1 VAL 7 2HG1 VAL 7 26.532 -2.157 4.151 55 3HG1 VAL 7 3HG1 VAL 7 25.830 -3.763 4.349 56 1HG2 VAL 7 1HG2 VAL 7 23.196 -3.873 3.642 57 2HG2 VAL 7 2HG2 VAL 7 22.613 -2.575 2.600 58 3HG2 VAL 7 3HG2 VAL 7 22.964 -2.251 4.298 59 H ILE 8 H ILE 8 26.785 -2.255 1.719 60 HA ILE 8 HA ILE 8 26.473 -1.140 -1.022 61 HB ILE 8 HB ILE 8 29.104 -1.199 0.486 62 1HG1 ILE 8 2HG1 ILE 8 27.446 1.198 -0.355 63 2HG1 ILE 8 1HG1 ILE 8 27.449 0.538 1.281 64 1HG2 ILE 8 1HG2 ILE 8 28.673 0.355 -2.017 65 2HG2 ILE 8 2HG2 ILE 8 28.770 -1.397 -2.180 66 3HG2 ILE 8 3HG2 ILE 8 30.108 -0.504 -1.460 67 1HD1 ILE 8 1HD1 ILE 8 30.038 1.265 -0.073 68 2HD1 ILE 8 2HD1 ILE 8 29.693 1.128 1.651 69 3HD1 ILE 8 3HD1 ILE 8 29.074 2.501 0.734 70 H ASP 9 H ASP 9 29.243 -2.914 0.257 71 HA ASP 9 HA ASP 9 30.051 -5.055 -0.252 72 1HB ASP 9 2HB ASP 9 27.195 -5.327 0.159 73 2HB ASP 9 1HB ASP 9 27.754 -6.475 -1.057 74 H HIS 10 H HIS 10 30.378 -6.533 -2.107 75 HA HIS 10 HA HIS 10 29.359 -5.463 -4.695 76 1HB HIS 10 2HB HIS 10 32.248 -5.937 -3.929 77 2HB HIS 10 1HB HIS 10 31.716 -5.834 -5.607 78 HD2 HIS 10 HD2 HIS 10 31.292 -3.467 -2.412 79 HE1 HIS 10 HE1 HIS 10 31.741 -1.091 -5.875 80 HE2 HIS 10 HE2 HIS 10 31.446 -1.040 -3.356 81 H TYR 11 H TYR 11 30.765 -8.104 -2.840 82 HA TYR 11 HA TYR 11 30.642 -10.031 -5.011 83 1HB TYR 11 2HB TYR 11 30.558 -10.819 -2.112 84 2HB TYR 11 1HB TYR 11 31.408 -11.593 -3.451 85 HD1 TYR 11 HD1 TYR 11 32.145 -10.109 -0.545 86 HD2 TYR 11 HD2 TYR 11 32.879 -9.458 -4.727 87 HE1 TYR 11 HE1 TYR 11 34.197 -8.832 0.013 88 HE2 TYR 11 HE2 TYR 11 34.931 -8.183 -4.169 89 HH TYR 11 HH TYR 11 36.197 -7.357 -2.545 90 H GLU 12 H GLU 12 28.172 -8.453 -4.304 91 HA GLU 12 HA GLU 12 26.202 -9.891 -2.966 92 1HB GLU 12 2HB GLU 12 25.929 -8.378 -5.581 93 2HB GLU 12 1HB GLU 12 24.580 -8.859 -4.553 94 1HG GLU 12 2HG GLU 12 24.870 -7.005 -3.314 95 2HG GLU 12 1HG GLU 12 26.491 -7.553 -2.890 96 H ASN 13 H ASN 13 25.143 -11.799 -3.318 97 HA ASN 13 HA ASN 13 26.000 -13.892 -4.832 98 1HB ASN 13 2HB ASN 13 23.245 -13.037 -4.031 99 2HB ASN 13 1HB ASN 13 23.404 -14.399 -5.142 100 1HD2 ASN 13 1HD2 ASN 13 22.983 -16.158 -3.732 101 2HD2 ASN 13 2HD2 ASN 13 23.889 -16.481 -2.334 102 HA PRO 14 HA PRO 14 25.702 -13.001 -9.123 103 1HB PRO 14 2HB PRO 14 24.743 -15.417 -10.091 104 2HB PRO 14 1HB PRO 14 26.436 -15.093 -9.676 105 1HG PRO 14 2HG PRO 14 24.346 -16.518 -8.125 106 2HG PRO 14 1HG PRO 14 26.085 -16.835 -8.245 107 1HD PRO 14 2HD PRO 14 24.966 -15.619 -6.077 108 2HD PRO 14 1HD PRO 14 26.623 -15.273 -6.622 109 H ARG 15 H ARG 15 23.483 -11.934 -7.830 110 HA ARG 15 HA ARG 15 21.296 -11.209 -8.271 111 1HB ARG 15 2HB ARG 15 22.542 -11.381 -10.699 112 2HB ARG 15 1HB ARG 15 21.177 -12.470 -10.942 113 1HG ARG 15 2HG ARG 15 19.603 -10.740 -10.316 114 2HG ARG 15 1HG ARG 15 20.914 -9.657 -9.848 115 1HD ARG 15 2HD ARG 15 19.798 -9.400 -12.218 116 2HD ARG 15 1HD ARG 15 21.548 -9.248 -12.054 117 HE ARG 15 HE ARG 15 21.163 -11.946 -12.550 118 1HH1 ARG 15 1HH2 ARG 15 20.231 -8.970 -14.021 119 2HH1 ARG 15 2HH2 ARG 15 20.197 -9.620 -15.626 120 1HH2 ARG 15 2HH1 ARG 15 21.122 -12.813 -14.635 121 2HH2 ARG 15 1HH1 ARG 15 20.702 -11.796 -15.973 122 H ASN 16 H ASN 16 19.146 -12.033 -8.207 123 HA ASN 16 HA ASN 16 18.600 -14.831 -8.817 124 1HB ASN 16 2HB ASN 16 19.813 -14.803 -6.538 125 2HB ASN 16 1HB ASN 16 18.349 -14.045 -5.913 126 1HD2 ASN 16 1HD2 ASN 16 19.653 -17.043 -7.282 127 2HD2 ASN 16 2HD2 ASN 16 18.309 -18.007 -6.902 128 H VAL 17 H VAL 17 16.509 -14.604 -6.518 129 HA VAL 17 HA VAL 17 14.242 -13.978 -7.955 130 HB VAL 17 HB VAL 17 14.040 -14.820 -5.703 131 1HG1 VAL 17 1HG1 VAL 17 14.954 -13.828 -3.824 132 2HG1 VAL 17 2HG1 VAL 17 14.834 -12.201 -4.496 133 3HG1 VAL 17 3HG1 VAL 17 16.115 -13.286 -5.037 134 1HG2 VAL 17 1HG2 VAL 17 12.466 -12.813 -6.726 135 2HG2 VAL 17 2HG2 VAL 17 12.912 -12.149 -5.155 136 3HG2 VAL 17 3HG2 VAL 17 12.102 -13.711 -5.253 137 H GLY 18 H GLY 18 14.455 -12.238 -9.393 138 1HA GLY 18 2HA GLY 18 14.372 -9.552 -8.108 139 2HA GLY 18 1HA GLY 18 15.503 -9.826 -9.434 140 H SER 19 H SER 19 12.049 -9.851 -8.608 141 HA SER 19 HA SER 19 11.055 -10.268 -11.248 142 1HB SER 19 2HB SER 19 9.970 -9.656 -8.688 143 2HB SER 19 1HB SER 19 9.331 -8.470 -9.822 144 HG SER 19 HG SER 19 8.553 -10.117 -11.082 145 H LEU 20 H LEU 20 9.644 -8.324 -12.254 146 HA LEU 20 HA LEU 20 9.638 -6.178 -13.233 147 1HB LEU 20 2HB LEU 20 10.587 -5.604 -10.807 148 2HB LEU 20 1HB LEU 20 12.076 -5.345 -11.716 149 HG LEU 20 HG LEU 20 10.534 -3.965 -13.328 150 1HD1 LEU 20 1HD1 LEU 20 8.477 -3.314 -12.567 151 2HD1 LEU 20 2HD1 LEU 20 9.001 -3.278 -10.883 152 3HD1 LEU 20 3HD1 LEU 20 8.583 -4.813 -11.642 153 1HD2 LEU 20 1HD2 LEU 20 11.011 -1.949 -12.020 154 2HD2 LEU 20 2HD2 LEU 20 12.372 -3.063 -11.903 155 3HD2 LEU 20 3HD2 LEU 20 11.233 -2.920 -10.565 156 H ASP 21 H ASP 21 11.605 -8.573 -13.767 157 HA ASP 21 HA ASP 21 13.970 -7.516 -14.948 158 1HB ASP 21 2HB ASP 21 12.571 -10.051 -14.884 159 2HB ASP 21 1HB ASP 21 13.186 -9.733 -16.506 160 H LYS 22 H LYS 22 10.948 -6.617 -15.695 161 HA LYS 22 HA LYS 22 9.964 -5.613 -17.572 162 1HB LYS 22 2HB LYS 22 12.881 -5.448 -18.388 163 2HB LYS 22 1HB LYS 22 11.565 -4.608 -19.210 164 1HG LYS 22 2HG LYS 22 11.428 -3.020 -17.601 165 2HG LYS 22 1HG LYS 22 11.553 -4.208 -16.302 166 1HD LYS 22 2HD LYS 22 13.890 -4.161 -16.300 167 2HD LYS 22 1HD LYS 22 13.976 -3.545 -17.951 168 1HE LYS 22 2HE LYS 22 12.895 -1.411 -17.085 169 2HE LYS 22 1HE LYS 22 13.165 -2.033 -15.457 170 1HZ LYS 22 1HZ LYS 22 15.350 -1.642 -15.585 171 2HZ LYS 22 2HZ LYS 22 14.945 -0.588 -16.853 172 3HZ LYS 22 3HZ LYS 22 15.468 -2.168 -17.192 173 H LYS 23 H LYS 23 11.177 -8.602 -17.582 174 HA LYS 23 HA LYS 23 10.254 -9.103 -20.374 175 1HB LYS 23 2HB LYS 23 12.791 -10.078 -19.054 176 2HB LYS 23 1HB LYS 23 12.063 -10.953 -20.399 177 1HG LYS 23 2HG LYS 23 12.051 -8.355 -21.326 178 2HG LYS 23 1HG LYS 23 13.551 -8.417 -20.403 179 1HD LYS 23 2HD LYS 23 14.118 -10.552 -21.625 180 2HD LYS 23 1HD LYS 23 12.717 -10.260 -22.656 181 1HE LYS 23 2HE LYS 23 14.525 -9.313 -23.855 182 2HE LYS 23 1HE LYS 23 13.748 -7.932 -23.082 183 1HZ LYS 23 1HZ LYS 23 15.546 -7.538 -21.862 184 2HZ LYS 23 2HZ LYS 23 16.375 -8.627 -22.868 185 3HZ LYS 23 3HZ LYS 23 15.705 -9.163 -21.402 186 H ASP 24 H ASP 24 8.921 -9.380 -17.766 187 HA ASP 24 HA ASP 24 8.699 -12.355 -17.587 188 1HB ASP 24 2HB ASP 24 7.585 -10.351 -15.614 189 2HB ASP 24 1HB ASP 24 7.872 -12.072 -15.367 190 H SER 25 H SER 25 6.374 -13.080 -17.069 191 HA SER 25 HA SER 25 4.571 -11.743 -19.009 192 1HB SER 25 2HB SER 25 4.661 -14.088 -19.367 193 2HB SER 25 1HB SER 25 4.563 -14.438 -17.643 194 HG SER 25 HG SER 25 2.431 -13.314 -17.834 195 H ASN 26 H ASN 26 5.234 -11.489 -15.787 196 HA ASN 26 HA ASN 26 2.380 -10.957 -15.076 197 1HB ASN 26 2HB ASN 26 4.468 -10.997 -12.959 198 2HB ASN 26 1HB ASN 26 2.823 -11.634 -12.930 199 1HD2 ASN 26 1HD2 ASN 26 2.563 -13.580 -14.638 200 2HD2 ASN 26 2HD2 ASN 26 3.813 -14.726 -14.597 201 H VAL 27 H VAL 27 4.756 -9.283 -16.367 202 HA VAL 27 HA VAL 27 4.264 -6.890 -14.639 203 HB VAL 27 HB VAL 27 6.783 -7.538 -16.202 204 1HG1 VAL 27 1HG1 VAL 27 6.764 -5.423 -14.141 205 2HG1 VAL 27 2HG1 VAL 27 5.798 -5.062 -15.571 206 3HG1 VAL 27 3HG1 VAL 27 7.515 -5.432 -15.736 207 1HG2 VAL 27 1HG2 VAL 27 7.755 -8.243 -14.228 208 2HG2 VAL 27 2HG2 VAL 27 6.091 -8.737 -13.909 209 3HG2 VAL 27 3HG2 VAL 27 6.710 -7.231 -13.231 210 H GLY 28 H GLY 28 2.806 -5.711 -15.805 211 1HA GLY 28 2HA GLY 28 3.316 -5.394 -18.736 212 2HA GLY 28 1HA GLY 28 1.713 -5.298 -18.007 213 H THR 29 H THR 29 3.157 -3.253 -19.602 214 HA THR 29 HA THR 29 2.988 -1.054 -17.594 215 HB THR 29 HB THR 29 5.120 -1.327 -19.736 216 HG1 THR 29 HG1 THR 29 5.177 -2.549 -17.626 217 1HG2 THR 29 1HG2 THR 29 6.001 0.757 -18.869 218 2HG2 THR 29 2HG2 THR 29 4.771 0.798 -17.605 219 3HG2 THR 29 3HG2 THR 29 4.308 1.005 -19.295 220 H GLY 30 H GLY 30 2.196 0.926 -18.464 221 1HA GLY 30 2HA GLY 30 1.444 0.944 -21.335 222 2HA GLY 30 1HA GLY 30 0.151 1.117 -20.146 223 H MET 31 H MET 31 2.637 2.758 -21.850 224 HA MET 31 HA MET 31 2.550 5.106 -20.046 225 1HB MET 31 2HB MET 31 4.544 4.046 -21.640 226 2HB MET 31 1HB MET 31 3.965 5.407 -22.600 227 1HG MET 31 2HG MET 31 4.077 6.697 -20.308 228 2HG MET 31 1HG MET 31 5.198 5.412 -19.864 229 1HE MET 31 1HE MET 31 4.457 7.570 -23.198 230 2HE MET 31 2HE MET 31 5.667 8.801 -22.845 231 3HE MET 31 3HE MET 31 4.385 8.475 -21.680 232 H VAL 32 H VAL 32 1.225 6.820 -20.441 233 HA VAL 32 HA VAL 32 0.311 7.371 -23.192 234 HB VAL 32 HB VAL 32 -2.098 7.542 -22.251 235 1HG1 VAL 32 1HG1 VAL 32 -2.564 5.350 -23.000 236 2HG1 VAL 32 2HG1 VAL 32 -1.022 4.729 -22.410 237 3HG1 VAL 32 3HG1 VAL 32 -1.067 5.770 -23.832 238 1HG2 VAL 32 1HG2 VAL 32 -2.563 6.677 -20.199 239 2HG2 VAL 32 2HG2 VAL 32 -0.839 6.895 -19.893 240 3HG2 VAL 32 3HG2 VAL 32 -1.451 5.326 -20.417 241 H GLY 33 H GLY 33 -1.520 9.322 -22.739 242 1HA GLY 33 2HA GLY 33 -1.456 11.127 -20.718 243 2HA GLY 33 1HA GLY 33 0.122 11.402 -21.458 244 H ALA 34 H ALA 34 -1.141 13.595 -21.695 245 HA ALA 34 HA ALA 34 -2.665 13.549 -24.268 246 1HB ALA 34 1HB ALA 34 -3.178 16.012 -23.284 247 2HB ALA 34 2HB ALA 34 -2.906 15.147 -21.771 248 3HB ALA 34 3HB ALA 34 -4.162 14.603 -22.883 249 HA PRO 35 HA PRO 35 1.446 15.213 -25.497 250 1HB PRO 35 2HB PRO 35 -0.014 15.054 -28.098 251 2HB PRO 35 1HB PRO 35 1.626 14.514 -27.689 252 1HG PRO 35 2HG PRO 35 -0.382 12.786 -27.981 253 2HG PRO 35 1HG PRO 35 0.895 12.541 -26.778 254 1HD PRO 35 2HD PRO 35 -1.937 13.382 -26.368 255 2HD PRO 35 1HD PRO 35 -0.858 12.474 -25.284 256 H ALA 36 H ALA 36 -1.691 16.310 -26.836 257 HA ALA 36 HA ALA 36 -1.118 18.771 -27.870 258 1HB ALA 36 1HB ALA 36 -3.428 17.827 -27.495 259 2HB ALA 36 2HB ALA 36 -3.290 19.549 -27.145 260 3HB ALA 36 3HB ALA 36 -3.320 18.381 -25.824 261 H CYS 37 H CYS 37 -1.272 18.036 -24.385 262 HA CYS 37 HA CYS 37 0.794 19.593 -23.478 263 1HB CYS 37 2HB CYS 37 -1.463 21.280 -24.375 264 2HB CYS 37 1HB CYS 37 -0.826 21.673 -22.778 265 HG CYS 37 HG CYS 37 0.778 22.952 -24.258 266 H GLY 38 H GLY 38 -2.448 18.471 -23.034 267 1HA GLY 38 2HA GLY 38 -3.213 18.995 -20.482 268 2HA GLY 38 1HA GLY 38 -3.280 17.347 -21.107 269 H ASP 39 H ASP 39 -0.808 16.425 -21.187 270 HA ASP 39 HA ASP 39 1.231 16.996 -19.498 271 1HB ASP 39 2HB ASP 39 0.098 17.416 -17.524 272 2HB ASP 39 1HB ASP 39 -1.199 16.283 -17.907 273 H VAL 40 H VAL 40 2.341 14.988 -18.548 274 HA VAL 40 HA VAL 40 1.809 12.703 -20.369 275 HB VAL 40 HB VAL 40 4.117 13.570 -20.274 276 1HG1 VAL 40 1HG1 VAL 40 4.958 14.278 -18.310 277 2HG1 VAL 40 2HG1 VAL 40 4.930 12.621 -17.710 278 3HG1 VAL 40 3HG1 VAL 40 3.534 13.671 -17.467 279 1HG2 VAL 40 1HG2 VAL 40 4.550 11.059 -18.823 280 2HG2 VAL 40 2HG2 VAL 40 4.934 11.466 -20.495 281 3HG2 VAL 40 3HG2 VAL 40 3.310 10.923 -20.069 282 H MET 41 H MET 41 1.428 10.590 -19.530 283 HA MET 41 HA MET 41 1.156 10.357 -16.579 284 1HB MET 41 2HB MET 41 -1.071 10.999 -17.384 285 2HB MET 41 1HB MET 41 -1.037 9.690 -18.564 286 1HG MET 41 2HG MET 41 -1.298 8.040 -16.949 287 2HG MET 41 1HG MET 41 -0.587 9.031 -15.676 288 1HE MET 41 1HE MET 41 -3.512 7.291 -16.476 289 2HE MET 41 2HE MET 41 -4.562 8.014 -15.259 290 3HE MET 41 3HE MET 41 -2.939 7.491 -14.814 291 H GLN 42 H GLN 42 2.058 8.477 -15.923 292 HA GLN 42 HA GLN 42 2.309 6.274 -17.933 293 1HB GLN 42 2HB GLN 42 4.509 7.088 -17.360 294 2HB GLN 42 1HB GLN 42 4.124 7.069 -15.638 295 1HG GLN 42 2HG GLN 42 3.994 4.662 -15.616 296 2HG GLN 42 1HG GLN 42 4.107 4.587 -17.374 297 1HE2 GLN 42 1HE2 GLN 42 6.171 7.009 -16.825 298 2HE2 GLN 42 2HE2 GLN 42 7.613 6.157 -16.546 299 H LEU 43 H LEU 43 1.625 4.219 -17.279 300 HA LEU 43 HA LEU 43 0.781 3.895 -14.446 301 1HB LEU 43 2HB LEU 43 -1.141 4.642 -16.033 302 2HB LEU 43 1HB LEU 43 -1.039 3.002 -16.676 303 HG LEU 43 HG LEU 43 -1.028 2.495 -13.998 304 1HD1 LEU 43 1HD1 LEU 43 -1.367 4.821 -13.371 305 2HD1 LEU 43 2HD1 LEU 43 -2.849 3.926 -13.039 306 3HD1 LEU 43 3HD1 LEU 43 -2.741 4.954 -14.468 307 1HD2 LEU 43 1HD2 LEU 43 -2.492 1.272 -15.371 308 2HD2 LEU 43 2HD2 LEU 43 -3.243 2.726 -16.027 309 3HD2 LEU 43 3HD2 LEU 43 -3.600 2.217 -14.377 310 H GLN 44 H GLN 44 1.661 2.025 -13.729 311 HA GLN 44 HA GLN 44 2.018 -0.201 -15.699 312 1HB GLN 44 2HB GLN 44 4.184 0.812 -15.024 313 2HB GLN 44 1HB GLN 44 3.798 0.477 -13.336 314 1HG GLN 44 2HG GLN 44 3.578 -1.958 -13.952 315 2HG GLN 44 1HG GLN 44 4.191 -1.549 -15.554 316 1HE2 GLN 44 1HE2 GLN 44 6.438 -1.614 -15.772 317 2HE2 GLN 44 2HE2 GLN 44 7.540 -1.558 -14.481 318 H ILE 45 H ILE 45 1.710 -2.346 -14.822 319 HA ILE 45 HA ILE 45 0.251 -2.369 -12.208 320 HB ILE 45 HB ILE 45 -0.893 -4.453 -13.367 321 1HG1 ILE 45 2HG1 ILE 45 -0.551 -2.774 -15.821 322 2HG1 ILE 45 1HG1 ILE 45 0.742 -3.895 -15.397 323 1HG2 ILE 45 1HG2 ILE 45 -2.321 -2.437 -14.611 324 2HG2 ILE 45 2HG2 ILE 45 -1.468 -1.574 -13.330 325 3HG2 ILE 45 3HG2 ILE 45 -2.518 -2.934 -12.930 326 1HD1 ILE 45 1HD1 ILE 45 -2.176 -4.585 -15.836 327 2HD1 ILE 45 2HD1 ILE 45 -0.964 -5.724 -15.249 328 3HD1 ILE 45 3HD1 ILE 45 -0.819 -5.038 -16.868 329 H LYS 46 H LYS 46 0.531 -4.310 -10.938 330 HA LYS 46 HA LYS 46 2.859 -5.984 -11.795 331 1HB LYS 46 2HB LYS 46 3.229 -4.263 -9.883 332 2HB LYS 46 1HB LYS 46 2.251 -5.360 -8.908 333 1HG LYS 46 2HG LYS 46 3.792 -7.205 -9.390 334 2HG LYS 46 1HG LYS 46 4.753 -6.153 -10.429 335 1HD LYS 46 2HD LYS 46 4.741 -4.645 -8.199 336 2HD LYS 46 1HD LYS 46 4.586 -6.239 -7.460 337 1HE LYS 46 2HE LYS 46 6.966 -5.557 -7.733 338 2HE LYS 46 1HE LYS 46 6.579 -7.019 -8.641 339 1HZ LYS 46 1HZ LYS 46 6.034 -4.774 -10.238 340 2HZ LYS 46 2HZ LYS 46 7.174 -6.006 -10.498 341 3HZ LYS 46 3HZ LYS 46 7.604 -4.619 -9.615 342 H VAL 47 H VAL 47 2.467 -8.155 -11.745 343 HA VAL 47 HA VAL 47 0.082 -9.093 -10.199 344 HB VAL 47 HB VAL 47 1.030 -10.087 -12.905 345 1HG1 VAL 47 1HG1 VAL 47 -1.461 -10.821 -11.344 346 2HG1 VAL 47 2HG1 VAL 47 0.011 -11.794 -11.338 347 3HG1 VAL 47 3HG1 VAL 47 -0.883 -11.556 -12.840 348 1HG2 VAL 47 1HG2 VAL 47 -0.155 -8.292 -13.631 349 2HG2 VAL 47 2HG2 VAL 47 -0.876 -8.021 -12.044 350 3HG2 VAL 47 3HG2 VAL 47 -1.579 -9.210 -13.141 351 H ASP 48 H ASP 48 0.421 -10.918 -8.961 352 HA ASP 48 HA ASP 48 2.469 -12.863 -9.452 353 1HB ASP 48 2HB ASP 48 3.199 -10.488 -7.846 354 2HB ASP 48 1HB ASP 48 3.614 -12.043 -7.124 355 H ASP 49 H ASP 49 0.328 -11.255 -7.162 356 HA ASP 49 HA ASP 49 0.298 -13.304 -5.170 357 1HB ASP 49 2HB ASP 49 -1.392 -10.982 -5.893 358 2HB ASP 49 1HB ASP 49 -2.218 -12.269 -5.015 359 H ASN 50 H ASN 50 0.374 -14.758 -7.428 360 HA ASN 50 HA ASN 50 -0.663 -16.655 -8.356 361 1HB ASN 50 2HB ASN 50 -3.165 -16.019 -6.796 362 2HB ASN 50 1HB ASN 50 -2.550 -17.591 -7.305 363 1HD2 ASN 50 1HD2 ASN 50 -2.602 -15.358 -4.694 364 2HD2 ASN 50 2HD2 ASN 50 -1.410 -16.098 -3.740 365 H GLY 51 H GLY 51 -0.605 -14.530 -9.949 366 1HA GLY 51 2HA GLY 51 -1.639 -13.791 -11.936 367 2HA GLY 51 1HA GLY 51 -3.019 -14.817 -11.546 368 H ILE 52 H ILE 52 -2.306 -12.930 -8.879 369 HA ILE 52 HA ILE 52 -4.556 -11.107 -9.547 370 HB ILE 52 HB ILE 52 -3.182 -11.740 -6.919 371 1HG1 ILE 52 2HG1 ILE 52 -4.838 -13.374 -8.188 372 2HG1 ILE 52 1HG1 ILE 52 -4.994 -13.123 -6.449 373 1HG2 ILE 52 1HG2 ILE 52 -3.926 -9.533 -6.633 374 2HG2 ILE 52 2HG2 ILE 52 -5.307 -10.477 -6.071 375 3HG2 ILE 52 3HG2 ILE 52 -5.322 -9.766 -7.685 376 1HD1 ILE 52 1HD1 ILE 52 -6.850 -11.703 -6.692 377 2HD1 ILE 52 2HD1 ILE 52 -7.131 -12.924 -7.933 378 3HD1 ILE 52 3HD1 ILE 52 -6.476 -11.348 -8.379 379 H ILE 53 H ILE 53 -4.332 -8.797 -9.045 380 HA ILE 53 HA ILE 53 -1.766 -7.747 -9.921 381 HB ILE 53 HB ILE 53 -4.325 -6.451 -8.960 382 1HG1 ILE 53 2HG1 ILE 53 -2.923 -6.456 -11.653 383 2HG1 ILE 53 1HG1 ILE 53 -4.263 -7.521 -11.225 384 1HG2 ILE 53 1HG2 ILE 53 -2.946 -4.422 -10.110 385 2HG2 ILE 53 2HG2 ILE 53 -1.615 -5.315 -9.375 386 3HG2 ILE 53 3HG2 ILE 53 -2.940 -4.726 -8.372 387 1HD1 ILE 53 1HD1 ILE 53 -4.878 -5.367 -12.476 388 2HD1 ILE 53 2HD1 ILE 53 -4.469 -4.516 -10.987 389 3HD1 ILE 53 3HD1 ILE 53 -5.777 -5.698 -10.995 390 H GLU 54 H GLU 54 -0.159 -8.121 -8.394 391 HA GLU 54 HA GLU 54 -0.472 -7.958 -5.573 392 1HB GLU 54 2HB GLU 54 1.619 -8.519 -7.350 393 2HB GLU 54 1HB GLU 54 2.170 -7.108 -6.447 394 1HG GLU 54 2HG GLU 54 1.017 -9.586 -5.138 395 2HG GLU 54 1HG GLU 54 2.746 -9.316 -5.364 396 H ASP 55 H ASP 55 0.807 -5.499 -7.848 397 HA ASP 55 HA ASP 55 -0.253 -3.398 -6.055 398 1HB ASP 55 2HB ASP 55 2.319 -4.132 -5.662 399 2HB ASP 55 1HB ASP 55 2.544 -2.956 -6.957 400 H ALA 56 H ALA 56 0.632 -1.162 -7.200 401 HA ALA 56 HA ALA 56 0.641 -1.363 -10.128 402 1HB ALA 56 1HB ALA 56 -1.691 -0.119 -8.638 403 2HB ALA 56 2HB ALA 56 -1.756 -1.524 -9.702 404 3HB ALA 56 3HB ALA 56 -1.397 0.070 -10.367 405 H LYS 57 H LYS 57 2.052 0.197 -10.763 406 HA LYS 57 HA LYS 57 2.591 2.447 -8.909 407 1HB LYS 57 2HB LYS 57 4.146 0.914 -10.808 408 2HB LYS 57 1HB LYS 57 4.271 2.636 -11.168 409 1HG LYS 57 2HG LYS 57 4.704 2.966 -8.656 410 2HG LYS 57 1HG LYS 57 4.946 1.220 -8.586 411 1HD LYS 57 2HD LYS 57 6.818 1.302 -10.026 412 2HD LYS 57 1HD LYS 57 6.413 2.920 -10.600 413 1HE LYS 57 2HE LYS 57 8.263 3.120 -9.049 414 2HE LYS 57 1HE LYS 57 6.822 3.773 -8.268 415 1HZ LYS 57 1HZ LYS 57 7.355 2.386 -6.622 416 2HZ LYS 57 2HZ LYS 57 8.388 1.451 -7.594 417 3HZ LYS 57 3HZ LYS 57 6.714 1.165 -7.608 418 H PHE 58 H PHE 58 2.402 4.621 -9.554 419 HA PHE 58 HA PHE 58 1.113 5.123 -12.198 420 1HB PHE 58 2HB PHE 58 -0.251 6.914 -10.880 421 2HB PHE 58 1HB PHE 58 -0.771 5.232 -10.785 422 HD1 PHE 58 HD1 PHE 58 0.394 3.814 -8.861 423 HD2 PHE 58 HD2 PHE 58 0.049 8.096 -8.890 424 HE1 PHE 58 HE1 PHE 58 0.699 3.856 -6.400 425 HE2 PHE 58 HE2 PHE 58 0.355 8.137 -6.430 426 HZ PHE 58 HZ PHE 58 0.680 6.018 -5.185 427 H LYS 59 H LYS 59 1.264 7.516 -12.766 428 HA LYS 59 HA LYS 59 3.202 9.124 -11.294 429 1HB LYS 59 2HB LYS 59 4.305 7.276 -13.020 430 2HB LYS 59 1HB LYS 59 4.204 8.721 -14.026 431 1HG LYS 59 2HG LYS 59 5.416 10.022 -12.360 432 2HG LYS 59 1HG LYS 59 5.424 8.649 -11.251 433 1HD LYS 59 2HD LYS 59 6.855 7.377 -12.690 434 2HD LYS 59 1HD LYS 59 6.656 8.528 -14.012 435 1HE LYS 59 2HE LYS 59 7.574 10.115 -11.931 436 2HE LYS 59 1HE LYS 59 8.487 8.620 -11.729 437 1HZ LYS 59 1HZ LYS 59 9.566 10.214 -13.238 438 2HZ LYS 59 2HZ LYS 59 8.233 10.106 -14.287 439 3HZ LYS 59 3HZ LYS 59 9.204 8.742 -13.998 440 H THR 60 H THR 60 2.227 11.073 -11.467 441 HA THR 60 HA THR 60 1.437 12.010 -14.182 442 HB THR 60 HB THR 60 -0.747 12.240 -13.644 443 HG1 THR 60 HG1 THR 60 0.407 13.523 -11.461 444 1HG2 THR 60 1HG2 THR 60 -1.607 10.804 -11.960 445 2HG2 THR 60 2HG2 THR 60 -0.152 10.959 -10.975 446 3HG2 THR 60 3HG2 THR 60 -0.104 10.044 -12.483 447 H TYR 61 H TYR 61 2.269 14.027 -14.560 448 HA TYR 61 HA TYR 61 2.650 15.896 -12.309 449 1HB TYR 61 2HB TYR 61 4.769 14.263 -13.065 450 2HB TYR 61 1HB TYR 61 5.075 15.762 -13.941 451 HD1 TYR 61 HD1 TYR 61 5.892 14.160 -11.028 452 HD2 TYR 61 HD2 TYR 61 4.296 17.923 -12.349 453 HE1 TYR 61 HE1 TYR 61 6.677 15.228 -8.932 454 HE2 TYR 61 HE2 TYR 61 5.082 18.992 -10.253 455 HH TYR 61 HH TYR 61 7.316 17.905 -8.363 456 H GLY 62 H GLY 62 1.841 17.778 -13.067 457 1HA GLY 62 2HA GLY 62 2.697 19.408 -15.048 458 2HA GLY 62 1HA GLY 62 1.717 18.266 -15.971 459 H CYS 63 H CYS 63 -0.454 17.803 -14.461 460 HA CYS 63 HA CYS 63 -1.652 20.522 -14.153 461 1HB CYS 63 2HB CYS 63 -3.394 18.116 -14.274 462 2HB CYS 63 1HB CYS 63 -3.608 19.699 -15.024 463 HG CYS 63 HG CYS 63 -2.826 18.566 -17.089 464 H GLY 64 H GLY 64 -2.559 21.086 -12.191 465 1HA GLY 64 2HA GLY 64 -2.002 19.323 -9.910 466 2HA GLY 64 1HA GLY 64 -2.646 20.963 -9.819 467 H SER 65 H SER 65 -4.112 18.621 -11.955 468 HA SER 65 HA SER 65 -6.416 18.429 -10.053 469 1HB SER 65 2HB SER 65 -6.766 18.265 -13.033 470 2HB SER 65 1HB SER 65 -7.939 18.725 -11.803 471 HG SER 65 HG SER 65 -5.680 20.302 -11.924 472 H ALA 66 H ALA 66 -4.661 16.826 -12.706 473 HA ALA 66 HA ALA 66 -6.064 14.331 -12.516 474 1HB ALA 66 1HB ALA 66 -4.385 15.245 -14.335 475 2HB ALA 66 2HB ALA 66 -4.488 13.511 -14.024 476 3HB ALA 66 3HB ALA 66 -3.174 14.456 -13.323 477 H ILE 67 H ILE 67 -3.392 15.716 -10.708 478 HA ILE 67 HA ILE 67 -2.238 13.436 -9.556 479 HB ILE 67 HB ILE 67 -2.854 16.117 -8.279 480 1HG1 ILE 67 2HG1 ILE 67 -1.291 15.779 -10.374 481 2HG1 ILE 67 1HG1 ILE 67 -0.751 16.795 -9.037 482 1HG2 ILE 67 1HG2 ILE 67 -0.808 15.309 -6.835 483 2HG2 ILE 67 2HG2 ILE 67 -1.355 13.700 -7.308 484 3HG2 ILE 67 3HG2 ILE 67 -2.435 14.772 -6.416 485 1HD1 ILE 67 1HD1 ILE 67 0.723 15.168 -8.225 486 2HD1 ILE 67 2HD1 ILE 67 0.861 14.950 -9.969 487 3HD1 ILE 67 3HD1 ILE 67 -0.138 13.852 -9.020 488 H ALA 68 H ALA 68 -5.475 14.245 -9.483 489 HA ALA 68 HA ALA 68 -5.954 13.002 -6.825 490 1HB ALA 68 1HB ALA 68 -7.167 15.116 -7.534 491 2HB ALA 68 2HB ALA 68 -8.219 13.793 -7.032 492 3HB ALA 68 3HB ALA 68 -8.000 14.143 -8.747 493 H SER 69 H SER 69 -7.203 12.664 -10.170 494 HA SER 69 HA SER 69 -8.587 10.256 -9.859 495 1HB SER 69 2HB SER 69 -7.427 11.742 -12.075 496 2HB SER 69 1HB SER 69 -7.323 10.005 -12.345 497 HG SER 69 HG SER 69 -9.332 11.056 -13.013 498 H SER 70 H SER 70 -5.175 10.792 -9.698 499 HA SER 70 HA SER 70 -4.334 8.110 -10.365 500 1HB SER 70 2HB SER 70 -2.193 8.801 -9.739 501 2HB SER 70 1HB SER 70 -2.946 10.334 -10.168 502 HG SER 70 HG SER 70 -1.841 10.287 -8.094 503 H SER 71 H SER 71 -4.373 9.737 -7.170 504 HA SER 71 HA SER 71 -3.984 7.456 -5.591 505 1HB SER 71 2HB SER 71 -4.263 8.939 -3.916 506 2HB SER 71 1HB SER 71 -4.650 10.144 -5.140 507 HG SER 71 HG SER 71 -6.734 9.894 -4.744 508 H LEU 72 H LEU 72 -6.973 8.636 -7.072 509 HA LEU 72 HA LEU 72 -8.722 6.811 -5.690 510 1HB LEU 72 2HB LEU 72 -9.281 8.948 -7.092 511 2HB LEU 72 1HB LEU 72 -9.286 7.835 -8.461 512 HG LEU 72 HG LEU 72 -10.834 6.372 -6.948 513 1HD1 LEU 72 1HD1 LEU 72 -10.307 8.262 -5.090 514 2HD1 LEU 72 2HD1 LEU 72 -11.806 7.331 -5.108 515 3HD1 LEU 72 3HD1 LEU 72 -11.765 8.951 -5.804 516 1HD2 LEU 72 1HD2 LEU 72 -11.752 8.991 -8.176 517 2HD2 LEU 72 2HD2 LEU 72 -12.817 7.645 -7.770 518 3HD2 LEU 72 3HD2 LEU 72 -11.584 7.449 -9.016 519 H ILE 73 H ILE 73 -8.257 6.697 -9.214 520 HA ILE 73 HA ILE 73 -8.913 4.057 -9.641 521 HB ILE 73 HB ILE 73 -8.310 5.604 -11.464 522 1HG1 ILE 73 2HG1 ILE 73 -6.329 3.413 -11.827 523 2HG1 ILE 73 1HG1 ILE 73 -7.980 2.923 -11.448 524 1HG2 ILE 73 1HG2 ILE 73 -6.130 6.232 -10.001 525 2HG2 ILE 73 2HG2 ILE 73 -6.211 6.493 -11.743 526 3HG2 ILE 73 3HG2 ILE 73 -5.405 5.061 -11.102 527 1HD1 ILE 73 1HD1 ILE 73 -7.707 3.080 -13.875 528 2HD1 ILE 73 2HD1 ILE 73 -7.132 4.741 -13.723 529 3HD1 ILE 73 3HD1 ILE 73 -8.802 4.345 -13.317 530 H THR 74 H THR 74 -5.640 5.210 -8.761 531 HA THR 74 HA THR 74 -4.336 2.716 -8.742 532 HB THR 74 HB THR 74 -2.799 3.737 -7.063 533 HG1 THR 74 HG1 THR 74 -4.227 4.892 -5.828 534 1HG2 THR 74 1HG2 THR 74 -2.057 4.452 -9.100 535 2HG2 THR 74 2HG2 THR 74 -2.637 6.015 -8.527 536 3HG2 THR 74 3HG2 THR 74 -3.648 5.034 -9.588 537 H GLU 75 H GLU 75 -6.409 4.189 -6.271 538 HA GLU 75 HA GLU 75 -5.924 2.032 -4.358 539 1HB GLU 75 2HB GLU 75 -6.760 4.550 -4.005 540 2HB GLU 75 1HB GLU 75 -8.338 3.777 -4.146 541 1HG GLU 75 2HG GLU 75 -7.875 2.300 -2.313 542 2HG GLU 75 1HG GLU 75 -6.173 2.766 -2.288 543 H TRP 76 H TRP 76 -7.866 2.408 -7.131 544 HA TRP 76 HA TRP 76 -9.831 0.379 -6.191 545 1HB TRP 76 2HB TRP 76 -9.756 2.350 -8.458 546 2HB TRP 76 1HB TRP 76 -10.784 0.924 -8.585 547 HD1 TRP 76 HD1 TRP 76 -10.194 2.514 -5.192 548 HE1 TRP 76 HE1 TRP 76 -12.395 3.568 -4.360 549 HE3 TRP 76 HE3 TRP 76 -13.051 2.027 -9.397 550 HZ2 TRP 76 HZ2 TRP 76 -15.019 4.131 -5.348 551 HZ3 TRP 76 HZ3 TRP 76 -15.396 2.831 -9.424 552 HH2 TRP 76 HH2 TRP 76 -16.383 3.881 -7.407 553 H VAL 77 H VAL 77 -6.865 0.484 -7.728 554 HA VAL 77 HA VAL 77 -7.459 -2.088 -9.139 555 HB VAL 77 HB VAL 77 -5.680 -1.451 -10.774 556 1HG1 VAL 77 1HG1 VAL 77 -7.092 0.623 -11.663 557 2HG1 VAL 77 2HG1 VAL 77 -8.202 0.114 -10.390 558 3HG1 VAL 77 3HG1 VAL 77 -7.765 -1.007 -11.680 559 1HG2 VAL 77 1HG2 VAL 77 -5.420 0.752 -8.857 560 2HG2 VAL 77 2HG2 VAL 77 -5.556 1.314 -10.522 561 3HG2 VAL 77 3HG2 VAL 77 -4.276 0.187 -10.073 562 H LYS 78 H LYS 78 -6.469 -1.662 -6.390 563 HA LYS 78 HA LYS 78 -3.711 -2.777 -6.694 564 1HB LYS 78 2HB LYS 78 -4.394 -0.600 -5.237 565 2HB LYS 78 1HB LYS 78 -4.654 -1.855 -4.027 566 1HG LYS 78 2HG LYS 78 -2.402 -2.586 -4.135 567 2HG LYS 78 1HG LYS 78 -2.112 -1.742 -5.656 568 1HD LYS 78 2HD LYS 78 -3.001 0.032 -3.490 569 2HD LYS 78 1HD LYS 78 -1.461 -0.763 -3.163 570 1HE LYS 78 2HE LYS 78 -1.181 1.403 -4.374 571 2HE LYS 78 1HE LYS 78 -0.552 0.028 -5.283 572 1HZ LYS 78 1HZ LYS 78 -1.801 1.014 -6.884 573 2HZ LYS 78 2HZ LYS 78 -2.920 1.670 -5.787 574 3HZ LYS 78 3HZ LYS 78 -2.999 0.025 -6.203 575 H GLY 79 H GLY 79 -3.958 -4.983 -6.698 576 1HA GLY 79 2HA GLY 79 -4.207 -7.040 -5.485 577 2HA GLY 79 1HA GLY 79 -5.242 -6.203 -4.327 578 H LYS 80 H LYS 80 -6.043 -5.404 -7.513 579 HA LYS 80 HA LYS 80 -8.506 -7.026 -7.320 580 1HB LYS 80 2HB LYS 80 -7.656 -4.905 -9.317 581 2HB LYS 80 1HB LYS 80 -9.244 -5.672 -9.267 582 1HG LYS 80 2HG LYS 80 -8.078 -4.247 -6.870 583 2HG LYS 80 1HG LYS 80 -9.031 -3.400 -8.089 584 1HD LYS 80 2HD LYS 80 -10.491 -5.733 -7.465 585 2HD LYS 80 1HD LYS 80 -9.944 -5.083 -5.921 586 1HE LYS 80 2HE LYS 80 -11.308 -3.425 -8.059 587 2HE LYS 80 1HE LYS 80 -12.152 -4.150 -6.690 588 1HZ LYS 80 1HZ LYS 80 -11.653 -2.076 -5.888 589 2HZ LYS 80 2HZ LYS 80 -10.172 -1.978 -6.715 590 3HZ LYS 80 3HZ LYS 80 -10.314 -2.956 -5.333 591 H SER 81 H SER 81 -9.153 -7.552 -9.912 592 HA SER 81 HA SER 81 -6.939 -9.361 -10.793 593 1HB SER 81 2HB SER 81 -9.870 -9.714 -10.544 594 2HB SER 81 1HB SER 81 -9.153 -10.375 -12.010 595 HG SER 81 HG SER 81 -7.607 -11.413 -10.598 596 H LEU 82 H LEU 82 -6.496 -9.471 -13.048 597 HA LEU 82 HA LEU 82 -6.617 -7.095 -14.530 598 1HB LEU 82 2HB LEU 82 -6.279 -9.980 -15.286 599 2HB LEU 82 1HB LEU 82 -6.453 -8.772 -16.559 600 HG LEU 82 HG LEU 82 -4.570 -8.022 -14.416 601 1HD1 LEU 82 1HD1 LEU 82 -3.830 -10.251 -14.398 602 2HD1 LEU 82 2HD1 LEU 82 -2.800 -9.513 -15.625 603 3HD1 LEU 82 3HD1 LEU 82 -4.191 -10.483 -16.109 604 1HD2 LEU 82 1HD2 LEU 82 -5.023 -6.840 -16.632 605 2HD2 LEU 82 2HD2 LEU 82 -4.189 -8.181 -17.416 606 3HD2 LEU 82 3HD2 LEU 82 -3.325 -7.155 -16.272 607 H GLU 83 H GLU 83 -9.100 -9.454 -13.997 608 HA GLU 83 HA GLU 83 -10.725 -8.574 -16.281 609 1HB GLU 83 2HB GLU 83 -10.889 -10.903 -15.526 610 2HB GLU 83 1HB GLU 83 -11.387 -10.365 -13.920 611 1HG GLU 83 2HG GLU 83 -13.419 -9.388 -14.816 612 2HG GLU 83 1HG GLU 83 -12.901 -9.728 -16.467 613 H GLU 84 H GLU 84 -10.145 -7.545 -13.071 614 HA GLU 84 HA GLU 84 -12.775 -6.222 -12.805 615 1HB GLU 84 2HB GLU 84 -10.388 -6.622 -11.034 616 2HB GLU 84 1HB GLU 84 -11.486 -5.286 -10.688 617 1HG GLU 84 2HG GLU 84 -12.848 -7.829 -11.275 618 2HG GLU 84 1HG GLU 84 -11.852 -7.868 -9.819 619 H ALA 85 H ALA 85 -9.468 -5.483 -13.684 620 HA ALA 85 HA ALA 85 -10.072 -2.574 -13.715 621 1HB ALA 85 1HB ALA 85 -7.461 -3.941 -14.413 622 2HB ALA 85 2HB ALA 85 -7.892 -3.475 -12.767 623 3HB ALA 85 3HB ALA 85 -7.710 -2.241 -14.013 624 H GLY 86 H GLY 86 -9.756 -5.319 -15.812 625 1HA GLY 86 2HA GLY 86 -9.401 -3.680 -18.230 626 2HA GLY 86 1HA GLY 86 -9.584 -5.435 -18.185 627 H ALA 87 H ALA 87 -11.615 -2.702 -17.063 628 HA ALA 87 HA ALA 87 -13.696 -3.300 -19.004 629 1HB ALA 87 1HB ALA 87 -14.435 -3.826 -16.123 630 2HB ALA 87 2HB ALA 87 -13.881 -5.124 -17.181 631 3HB ALA 87 3HB ALA 87 -15.347 -4.227 -17.579 632 H ILE 88 H ILE 88 -12.680 -1.715 -16.026 633 HA ILE 88 HA ILE 88 -14.658 0.184 -15.616 634 HB ILE 88 HB ILE 88 -12.764 1.740 -14.957 635 1HG1 ILE 88 2HG1 ILE 88 -11.191 -0.583 -16.086 636 2HG1 ILE 88 1HG1 ILE 88 -11.050 1.125 -16.502 637 1HG2 ILE 88 1HG2 ILE 88 -12.365 -1.056 -13.887 638 2HG2 ILE 88 2HG2 ILE 88 -13.813 -0.118 -13.517 639 3HG2 ILE 88 3HG2 ILE 88 -12.227 0.474 -13.021 640 1HD1 ILE 88 1HD1 ILE 88 -9.946 -0.352 -14.174 641 2HD1 ILE 88 2HD1 ILE 88 -10.569 1.264 -13.843 642 3HD1 ILE 88 3HD1 ILE 88 -9.293 1.039 -15.039 643 H LYS 89 H LYS 89 -14.755 2.489 -16.352 644 HA LYS 89 HA LYS 89 -13.784 2.799 -19.164 645 1HB LYS 89 2HB LYS 89 -16.469 3.654 -18.037 646 2HB LYS 89 1HB LYS 89 -15.895 3.992 -19.671 647 1HG LYS 89 2HG LYS 89 -17.035 2.056 -20.136 648 2HG LYS 89 1HG LYS 89 -15.510 1.326 -19.633 649 1HD LYS 89 2HD LYS 89 -16.335 0.841 -17.458 650 2HD LYS 89 1HD LYS 89 -17.722 1.914 -17.658 651 1HE LYS 89 2HE LYS 89 -18.767 0.440 -19.212 652 2HE LYS 89 1HE LYS 89 -17.294 -0.508 -19.415 653 1HZ LYS 89 1HZ LYS 89 -19.281 -1.165 -17.757 654 2HZ LYS 89 2HZ LYS 89 -18.270 -0.304 -16.697 655 3HZ LYS 89 3HZ LYS 89 -17.670 -1.651 -17.541 656 H ASN 90 H ASN 90 -14.579 5.402 -19.592 657 HA ASN 90 HA ASN 90 -12.922 6.855 -17.584 658 1HB ASN 90 2HB ASN 90 -12.471 8.468 -19.298 659 2HB ASN 90 1HB ASN 90 -12.305 6.885 -20.058 660 1HD2 ASN 90 1HD2 ASN 90 -14.738 9.497 -19.568 661 2HD2 ASN 90 2HD2 ASN 90 -15.551 9.216 -21.031 662 H SER 91 H SER 91 -16.114 6.635 -18.952 663 HA SER 91 HA SER 91 -17.058 9.233 -18.131 664 1HB SER 91 2HB SER 91 -18.307 7.984 -19.790 665 2HB SER 91 1HB SER 91 -18.518 6.634 -18.678 666 HG SER 91 HG SER 91 -20.147 7.648 -17.836 667 H GLN 92 H GLN 92 -16.911 6.068 -16.553 668 HA GLN 92 HA GLN 92 -18.528 6.705 -14.288 669 1HB GLN 92 2HB GLN 92 -16.198 4.792 -14.607 670 2HB GLN 92 1HB GLN 92 -17.198 4.875 -13.156 671 1HG GLN 92 2HG GLN 92 -19.139 4.698 -15.033 672 2HG GLN 92 1HG GLN 92 -17.854 3.804 -15.848 673 1HE2 GLN 92 1HE2 GLN 92 -16.693 2.148 -14.264 674 2HE2 GLN 92 2HE2 GLN 92 -17.727 1.256 -13.257 675 H ILE 93 H ILE 93 -14.976 6.339 -14.133 676 HA ILE 93 HA ILE 93 -14.515 7.719 -11.780 677 HB ILE 93 HB ILE 93 -12.754 8.131 -14.204 678 1HG1 ILE 93 2HG1 ILE 93 -13.295 5.655 -12.579 679 2HG1 ILE 93 1HG1 ILE 93 -13.090 5.812 -14.324 680 1HG2 ILE 93 1HG2 ILE 93 -11.000 8.309 -12.620 681 2HG2 ILE 93 2HG2 ILE 93 -11.970 7.580 -11.340 682 3HG2 ILE 93 3HG2 ILE 93 -12.330 9.215 -11.898 683 1HD1 ILE 93 1HD1 ILE 93 -10.681 6.470 -13.875 684 2HD1 ILE 93 2HD1 ILE 93 -11.081 4.797 -13.481 685 3HD1 ILE 93 3HD1 ILE 93 -10.945 5.998 -12.197 686 H ALA 94 H ALA 94 -14.974 9.135 -15.012 687 HA ALA 94 HA ALA 94 -14.429 11.830 -14.404 688 1HB ALA 94 1HB ALA 94 -15.921 12.394 -16.271 689 2HB ALA 94 2HB ALA 94 -16.628 10.779 -16.212 690 3HB ALA 94 3HB ALA 94 -14.943 10.987 -16.686 691 H GLU 95 H GLU 95 -17.348 9.918 -13.793 692 HA GLU 95 HA GLU 95 -18.873 12.192 -12.802 693 1HB GLU 95 2HB GLU 95 -19.844 10.038 -13.763 694 2HB GLU 95 1HB GLU 95 -19.397 9.264 -12.242 695 1HG GLU 95 2HG GLU 95 -20.749 10.943 -11.010 696 2HG GLU 95 1HG GLU 95 -21.233 11.658 -12.549 697 H GLU 96 H GLU 96 -16.940 9.596 -11.352 698 HA GLU 96 HA GLU 96 -17.596 10.049 -8.633 699 1HB GLU 96 2HB GLU 96 -15.897 8.356 -9.950 700 2HB GLU 96 1HB GLU 96 -14.753 9.452 -9.175 701 1HG GLU 96 2HG GLU 96 -16.928 7.827 -7.834 702 2HG GLU 96 1HG GLU 96 -15.186 7.659 -7.622 703 H LEU 97 H LEU 97 -15.224 11.665 -10.727 704 HA LEU 97 HA LEU 97 -14.383 13.423 -8.514 705 1HB LEU 97 2HB LEU 97 -13.502 12.934 -11.327 706 2HB LEU 97 1HB LEU 97 -13.166 14.518 -10.630 707 HG LEU 97 HG LEU 97 -12.115 13.380 -8.665 708 1HD1 LEU 97 1HD1 LEU 97 -11.515 10.855 -9.679 709 2HD1 LEU 97 2HD1 LEU 97 -13.227 11.061 -10.048 710 3HD1 LEU 97 3HD1 LEU 97 -12.660 11.205 -8.384 711 1HD2 LEU 97 1HD2 LEU 97 -10.166 13.595 -9.783 712 2HD2 LEU 97 2HD2 LEU 97 -11.097 13.733 -11.274 713 3HD2 LEU 97 3HD2 LEU 97 -10.508 12.156 -10.745 714 H GLU 98 H GLU 98 -16.634 13.419 -11.156 715 HA GLU 98 HA GLU 98 -18.085 15.080 -11.971 716 1HB GLU 98 2HB GLU 98 -18.520 14.829 -9.347 717 2HB GLU 98 1HB GLU 98 -17.929 16.491 -9.342 718 1HG GLU 98 2HG GLU 98 -19.602 16.883 -11.276 719 2HG GLU 98 1HG GLU 98 -20.335 15.361 -10.769 720 H LEU 99 H LEU 99 -16.050 15.815 -13.210 721 HA LEU 99 HA LEU 99 -15.308 18.576 -12.331 722 1HB LEU 99 2HB LEU 99 -13.222 18.260 -13.650 723 2HB LEU 99 1HB LEU 99 -13.362 17.090 -12.337 724 HG LEU 99 HG LEU 99 -14.318 16.483 -15.140 725 1HD1 LEU 99 1HD1 LEU 99 -12.126 16.566 -15.732 726 2HD1 LEU 99 2HD1 LEU 99 -11.988 15.062 -14.820 727 3HD1 LEU 99 3HD1 LEU 99 -11.579 16.598 -14.056 728 1HD2 LEU 99 1HD2 LEU 99 -13.390 14.205 -13.750 729 2HD2 LEU 99 2HD2 LEU 99 -15.066 14.629 -14.095 730 3HD2 LEU 99 3HD2 LEU 99 -14.325 15.132 -12.577 731 HA PRO 100 HA PRO 100 -17.295 20.483 -15.761 732 1HB PRO 100 2HB PRO 100 -14.549 21.487 -16.423 733 2HB PRO 100 1HB PRO 100 -16.079 22.378 -16.322 734 1HG PRO 100 2HG PRO 100 -14.247 22.441 -14.360 735 2HG PRO 100 1HG PRO 100 -15.986 22.555 -14.049 736 1HD PRO 100 2HD PRO 100 -14.138 20.344 -13.429 737 2HD PRO 100 1HD PRO 100 -15.761 20.670 -12.783 738 HA PRO 101 HA PRO 101 -16.259 17.044 -18.624 739 1HB PRO 101 2HB PRO 101 -18.592 18.315 -19.988 740 2HB PRO 101 1HB PRO 101 -18.288 16.605 -19.628 741 1HG PRO 101 2HG PRO 101 -20.030 18.057 -18.216 742 2HG PRO 101 1HG PRO 101 -19.048 16.782 -17.477 743 1HD PRO 101 2HD PRO 101 -18.784 19.737 -17.229 744 2HD PRO 101 1HD PRO 101 -18.321 18.459 -16.082 745 H VAL 102 H VAL 102 -16.344 20.460 -19.113 746 HA VAL 102 HA VAL 102 -15.801 20.579 -21.918 747 HB VAL 102 HB VAL 102 -14.694 22.801 -21.301 748 1HG1 VAL 102 1HG1 VAL 102 -17.472 22.303 -20.188 749 2HG1 VAL 102 2HG1 VAL 102 -17.110 22.524 -21.900 750 3HG1 VAL 102 3HG1 VAL 102 -16.830 23.843 -20.762 751 1HG2 VAL 102 1HG2 VAL 102 -14.348 23.357 -19.123 752 2HG2 VAL 102 2HG2 VAL 102 -14.471 21.624 -18.820 753 3HG2 VAL 102 3HG2 VAL 102 -15.884 22.659 -18.609 754 H LYS 103 H LYS 103 -14.161 18.779 -19.882 755 HA LYS 103 HA LYS 103 -11.735 18.783 -21.477 756 1HB LYS 103 2HB LYS 103 -11.448 20.720 -19.804 757 2HB LYS 103 1HB LYS 103 -11.370 19.476 -18.557 758 1HG LYS 103 2HG LYS 103 -9.449 18.449 -19.600 759 2HG LYS 103 1HG LYS 103 -9.591 19.503 -21.008 760 1HD LYS 103 2HD LYS 103 -8.122 20.856 -19.942 761 2HD LYS 103 1HD LYS 103 -9.480 21.302 -18.910 762 1HE LYS 103 2HE LYS 103 -7.557 20.598 -17.544 763 2HE LYS 103 1HE LYS 103 -8.898 19.466 -17.357 764 1HZ LYS 103 1HZ LYS 103 -6.419 19.131 -18.935 765 2HZ LYS 103 2HZ LYS 103 -7.793 18.173 -19.219 766 3HZ LYS 103 3HZ LYS 103 -7.028 18.138 -17.703 767 H VAL 104 H VAL 104 -13.167 16.658 -21.381 768 HA VAL 104 HA VAL 104 -12.654 15.014 -18.996 769 HB VAL 104 HB VAL 104 -13.955 14.308 -21.643 770 1HG1 VAL 104 1HG1 VAL 104 -13.694 12.197 -20.861 771 2HG1 VAL 104 2HG1 VAL 104 -14.927 12.625 -19.674 772 3HG1 VAL 104 3HG1 VAL 104 -13.219 12.763 -19.259 773 1HG2 VAL 104 1HG2 VAL 104 -16.054 14.675 -20.528 774 2HG2 VAL 104 2HG2 VAL 104 -15.065 16.104 -20.221 775 3HG2 VAL 104 3HG2 VAL 104 -15.257 14.878 -18.967 776 H HIS 105 H HIS 105 -10.281 15.875 -20.345 777 HA HIS 105 HA HIS 105 -9.342 13.601 -21.957 778 1HB HIS 105 2HB HIS 105 -8.368 16.301 -21.272 779 2HB HIS 105 1HB HIS 105 -7.103 15.077 -21.380 780 HD2 HIS 105 HD2 HIS 105 -8.964 17.345 -23.751 781 HE1 HIS 105 HE1 HIS 105 -7.775 14.053 -26.113 782 HE2 HIS 105 HE2 HIS 105 -8.695 16.416 -26.173 783 H CYS 106 H CYS 106 -9.276 14.655 -18.644 784 HA CYS 106 HA CYS 106 -7.023 13.037 -17.811 785 1HB CYS 106 2HB CYS 106 -9.210 14.555 -16.451 786 2HB CYS 106 1HB CYS 106 -8.362 13.321 -15.517 787 HG CYS 106 HG CYS 106 -6.535 14.964 -15.260 788 H SER 107 H SER 107 -10.563 12.609 -17.462 789 HA SER 107 HA SER 107 -10.481 10.018 -16.325 790 1HB SER 107 2HB SER 107 -12.631 10.672 -18.299 791 2HB SER 107 1HB SER 107 -12.764 9.942 -16.701 792 HG SER 107 HG SER 107 -13.024 12.501 -17.401 793 H ILE 108 H ILE 108 -10.837 10.918 -19.773 794 HA ILE 108 HA ILE 108 -10.797 8.286 -20.816 795 HB ILE 108 HB ILE 108 -9.828 10.901 -21.996 796 1HG1 ILE 108 2HG1 ILE 108 -12.310 9.255 -22.566 797 2HG1 ILE 108 1HG1 ILE 108 -12.275 10.603 -21.430 798 1HG2 ILE 108 1HG2 ILE 108 -8.865 9.670 -23.624 799 2HG2 ILE 108 2HG2 ILE 108 -10.482 9.114 -24.058 800 3HG2 ILE 108 3HG2 ILE 108 -9.495 8.171 -22.940 801 1HD1 ILE 108 1HD1 ILE 108 -13.011 11.587 -23.448 802 2HD1 ILE 108 2HD1 ILE 108 -11.868 10.658 -24.418 803 3HD1 ILE 108 3HD1 ILE 108 -11.292 11.972 -23.393 804 H LEU 109 H LEU 109 -8.136 10.438 -19.899 805 HA LEU 109 HA LEU 109 -6.024 8.828 -20.986 806 1HB LEU 109 2HB LEU 109 -6.271 11.115 -19.158 807 2HB LEU 109 1HB LEU 109 -4.921 10.051 -18.766 808 HG LEU 109 HG LEU 109 -4.161 10.179 -21.129 809 1HD1 LEU 109 1HD1 LEU 109 -5.348 11.247 -22.764 810 2HD1 LEU 109 2HD1 LEU 109 -5.902 12.515 -21.672 811 3HD1 LEU 109 3HD1 LEU 109 -6.710 10.948 -21.686 812 1HD2 LEU 109 1HD2 LEU 109 -4.575 12.945 -19.958 813 2HD2 LEU 109 2HD2 LEU 109 -3.244 12.402 -20.981 814 3HD2 LEU 109 3HD2 LEU 109 -3.391 11.798 -19.331 815 H ALA 110 H ALA 110 -7.668 8.838 -17.838 816 HA ALA 110 HA ALA 110 -5.973 6.906 -16.574 817 1HB ALA 110 1HB ALA 110 -8.849 7.727 -16.132 818 2HB ALA 110 2HB ALA 110 -7.437 8.143 -15.161 819 3HB ALA 110 3HB ALA 110 -8.067 6.496 -15.142 820 H GLU 111 H GLU 111 -8.985 6.560 -18.453 821 HA GLU 111 HA GLU 111 -9.144 3.702 -18.171 822 1HB GLU 111 2HB GLU 111 -11.081 5.033 -18.874 823 2HB GLU 111 1HB GLU 111 -10.233 5.517 -20.344 824 1HG GLU 111 2HG GLU 111 -11.822 3.623 -20.721 825 2HG GLU 111 1HG GLU 111 -10.153 3.207 -21.114 826 H ASP 112 H ASP 112 -8.201 5.625 -21.049 827 HA ASP 112 HA ASP 112 -7.200 3.540 -22.614 828 1HB ASP 112 2HB ASP 112 -7.382 6.040 -23.189 829 2HB ASP 112 1HB ASP 112 -5.803 6.213 -22.423 830 H ALA 113 H ALA 113 -5.871 4.872 -19.699 831 HA ALA 113 HA ALA 113 -3.156 3.932 -20.116 832 1HB ALA 113 1HB ALA 113 -2.839 4.453 -17.749 833 2HB ALA 113 2HB ALA 113 -4.583 4.573 -17.518 834 3HB ALA 113 3HB ALA 113 -3.744 5.756 -18.520 835 H ILE 114 H ILE 114 -5.893 2.721 -18.147 836 HA ILE 114 HA ILE 114 -4.618 0.387 -17.181 837 HB ILE 114 HB ILE 114 -7.043 1.456 -16.770 838 1HG1 ILE 114 2HG1 ILE 114 -7.656 -0.932 -15.872 839 2HG1 ILE 114 1HG1 ILE 114 -6.027 -1.351 -16.405 840 1HG2 ILE 114 1HG2 ILE 114 -7.799 0.742 -19.064 841 2HG2 ILE 114 2HG2 ILE 114 -8.800 0.114 -17.754 842 3HG2 ILE 114 3HG2 ILE 114 -7.621 -0.934 -18.543 843 1HD1 ILE 114 1HD1 ILE 114 -5.684 -0.668 -14.184 844 2HD1 ILE 114 2HD1 ILE 114 -6.867 0.635 -14.303 845 3HD1 ILE 114 3HD1 ILE 114 -5.303 0.788 -15.103 846 H LYS 115 H LYS 115 -6.399 0.916 -20.219 847 HA LYS 115 HA LYS 115 -6.283 -1.791 -21.134 848 1HB LYS 115 2HB LYS 115 -6.884 0.851 -22.285 849 2HB LYS 115 1HB LYS 115 -6.188 -0.285 -23.441 850 1HG LYS 115 2HG LYS 115 -7.976 -1.740 -23.300 851 2HG LYS 115 1HG LYS 115 -8.347 -1.290 -21.635 852 1HD LYS 115 2HD LYS 115 -10.093 -0.428 -23.102 853 2HD LYS 115 1HD LYS 115 -9.159 0.923 -22.457 854 1HE LYS 115 2HE LYS 115 -9.518 1.225 -24.866 855 2HE LYS 115 1HE LYS 115 -7.807 0.959 -24.537 856 1HZ LYS 115 1HZ LYS 115 -7.821 -0.996 -25.598 857 2HZ LYS 115 2HZ LYS 115 -9.232 -0.413 -26.341 858 3HZ LYS 115 3HZ LYS 115 -9.342 -1.445 -24.997 859 H ALA 116 H ALA 116 -4.130 0.987 -21.828 860 HA ALA 116 HA ALA 116 -2.275 -0.310 -23.482 861 1HB ALA 116 1HB ALA 116 -1.996 1.885 -21.439 862 2HB ALA 116 2HB ALA 116 -1.892 1.990 -23.196 863 3HB ALA 116 3HB ALA 116 -0.572 1.268 -22.277 864 H ALA 117 H ALA 117 -2.598 -0.437 -19.963 865 HA ALA 117 HA ALA 117 -0.156 -1.812 -19.407 866 1HB ALA 117 1HB ALA 117 -2.670 -1.231 -18.003 867 2HB ALA 117 2HB ALA 117 -1.020 -1.268 -17.381 868 3HB ALA 117 3HB ALA 117 -1.943 -2.765 -17.525 869 H ILE 118 H ILE 118 -3.456 -3.208 -19.566 870 HA ILE 118 HA ILE 118 -2.695 -5.912 -19.581 871 HB ILE 118 HB ILE 118 -5.025 -4.479 -20.865 872 1HG1 ILE 118 2HG1 ILE 118 -5.571 -6.488 -18.835 873 2HG1 ILE 118 1HG1 ILE 118 -4.417 -5.293 -18.242 874 1HG2 ILE 118 1HG2 ILE 118 -4.125 -7.293 -21.157 875 2HG2 ILE 118 2HG2 ILE 118 -5.134 -6.317 -22.224 876 3HG2 ILE 118 3HG2 ILE 118 -5.834 -7.064 -20.788 877 1HD1 ILE 118 1HD1 ILE 118 -6.652 -4.488 -17.759 878 2HD1 ILE 118 2HD1 ILE 118 -7.148 -4.741 -19.433 879 3HD1 ILE 118 3HD1 ILE 118 -5.970 -3.489 -19.042 880 H ALA 119 H ALA 119 -2.857 -3.617 -22.284 881 HA ALA 119 HA ALA 119 -2.460 -5.410 -24.426 882 1HB ALA 119 1HB ALA 119 -2.811 -2.828 -24.439 883 2HB ALA 119 2HB ALA 119 -1.810 -3.544 -25.703 884 3HB ALA 119 3HB ALA 119 -1.053 -2.749 -24.322 885 H ASP 120 H ASP 120 0.167 -3.448 -22.976 886 HA ASP 120 HA ASP 120 2.333 -4.821 -24.053 887 1HB ASP 120 2HB ASP 120 1.896 -3.043 -21.822 888 2HB ASP 120 1HB ASP 120 3.042 -4.301 -21.359 889 H TYR 121 H TYR 121 0.614 -5.624 -21.022 890 HA TYR 121 HA TYR 121 2.097 -7.852 -20.215 891 1HB TYR 121 2HB TYR 121 0.334 -7.163 -18.786 892 2HB TYR 121 1HB TYR 121 -0.863 -7.268 -20.077 893 HD1 TYR 121 HD1 TYR 121 0.806 -9.032 -17.411 894 HD2 TYR 121 HD2 TYR 121 -1.402 -9.567 -21.056 895 HE1 TYR 121 HE1 TYR 121 0.326 -11.380 -16.774 896 HE2 TYR 121 HE2 TYR 121 -1.883 -11.915 -20.419 897 HH TYR 121 HH TYR 121 -1.364 -13.573 -18.989 898 H LYS 122 H LYS 122 -0.558 -7.753 -22.597 899 HA LYS 122 HA LYS 122 -0.505 -10.564 -23.184 900 1HB LYS 122 2HB LYS 122 -2.394 -9.064 -23.790 901 2HB LYS 122 1HB LYS 122 -1.357 -8.266 -24.973 902 1HG LYS 122 2HG LYS 122 -1.320 -10.108 -26.390 903 2HG LYS 122 1HG LYS 122 -1.641 -11.248 -25.083 904 1HD LYS 122 2HD LYS 122 -3.720 -9.206 -25.819 905 2HD LYS 122 1HD LYS 122 -3.557 -10.675 -26.782 906 1HE LYS 122 2HE LYS 122 -4.509 -11.947 -25.176 907 2HE LYS 122 1HE LYS 122 -3.511 -11.226 -23.913 908 1HZ LYS 122 1HZ LYS 122 -5.512 -9.451 -24.972 909 2HZ LYS 122 2HZ LYS 122 -5.114 -9.801 -23.358 910 3HZ LYS 122 3HZ LYS 122 -6.162 -10.824 -24.218 911 H ALA 123 H ALA 123 0.850 -7.795 -25.018 912 HA ALA 123 HA ALA 123 2.155 -9.179 -27.044 913 1HB ALA 123 1HB ALA 123 3.144 -7.185 -27.471 914 2HB ALA 123 2HB ALA 123 3.856 -7.098 -25.860 915 3HB ALA 123 3HB ALA 123 2.190 -6.578 -26.118 916 H LYS 124 H LYS 124 3.414 -8.557 -23.755 917 HA LYS 124 HA LYS 124 5.828 -10.115 -24.261 918 1HB LYS 124 2HB LYS 124 4.663 -9.185 -21.619 919 2HB LYS 124 1HB LYS 124 6.314 -9.738 -21.897 920 1HG LYS 124 2HG LYS 124 6.752 -7.862 -23.378 921 2HG LYS 124 1HG LYS 124 5.067 -7.348 -23.283 922 1HD LYS 124 2HD LYS 124 5.437 -7.176 -20.744 923 2HD LYS 124 1HD LYS 124 7.160 -7.290 -21.107 924 1HE LYS 124 2HE LYS 124 6.807 -5.365 -22.744 925 2HE LYS 124 1HE LYS 124 5.213 -5.164 -22.018 926 1HZ LYS 124 1HZ LYS 124 6.612 -3.731 -20.840 927 2HZ LYS 124 2HZ LYS 124 7.860 -4.878 -20.732 928 3HZ LYS 124 3HZ LYS 124 6.438 -5.079 -19.823 929 H GLN 125 H GLN 125 3.574 -11.663 -24.891 930 HA GLN 125 HA GLN 125 3.729 -13.744 -22.751 931 1HB GLN 125 2HB GLN 125 1.518 -12.696 -22.641 932 2HB GLN 125 1HB GLN 125 1.285 -12.961 -24.369 933 1HG GLN 125 2HG GLN 125 0.712 -15.129 -24.070 934 2HG GLN 125 1HG GLN 125 2.029 -15.404 -22.929 935 1HE2 GLN 125 1HE2 GLN 125 1.597 -14.198 -20.686 936 2HE2 GLN 125 2HE2 GLN 125 0.018 -14.348 -20.081 937 H GLY 126 H GLY 126 3.811 -12.925 -26.115 938 1HA GLY 126 2HA GLY 126 5.180 -14.616 -27.441 939 2HA GLY 126 1HA GLY 126 4.067 -15.827 -26.798 940 H LEU 127 H LEU 127 2.707 -12.752 -27.532 941 HA LEU 127 HA LEU 127 0.800 -13.794 -29.357 942 1HB LEU 127 2HB LEU 127 1.250 -11.346 -28.120 943 2HB LEU 127 1HB LEU 127 1.451 -10.981 -29.834 944 HG LEU 127 HG LEU 127 -0.728 -12.090 -30.298 945 1HD1 LEU 127 1HD1 LEU 127 -2.026 -12.173 -27.879 946 2HD1 LEU 127 2HD1 LEU 127 -0.422 -12.763 -27.444 947 3HD1 LEU 127 3HD1 LEU 127 -1.352 -13.581 -28.699 948 1HD2 LEU 127 1HD2 LEU 127 -1.215 -9.863 -30.140 949 2HD2 LEU 127 2HD2 LEU 127 -0.375 -9.688 -28.599 950 3HD2 LEU 127 3HD2 LEU 127 -2.012 -10.344 -28.642 951 H GLU 128 H GLU 128 4.080 -12.725 -29.840 952 HA GLU 128 HA GLU 128 3.723 -13.172 -32.777 953 1HB GLU 128 2HB GLU 128 5.942 -11.462 -31.696 954 2HB GLU 128 1HB GLU 128 5.157 -11.402 -33.275 955 1HG GLU 128 2HG GLU 128 3.071 -10.593 -32.155 956 2HG GLU 128 1HG GLU 128 3.958 -10.532 -30.631 957 H HIS 129 H HIS 129 6.444 -13.211 -33.448 958 HA HIS 129 HA HIS 129 7.720 -15.225 -31.695 959 1HB HIS 129 2HB HIS 129 8.124 -16.518 -34.003 960 2HB HIS 129 1HB HIS 129 6.709 -16.840 -32.999 961 HD2 HIS 129 HD2 HIS 129 7.349 -16.034 -36.599 962 HE1 HIS 129 HE1 HIS 129 3.550 -14.364 -35.813 963 HE2 HIS 129 HE2 HIS 129 5.182 -15.023 -37.641 964 H HIS 130 H HIS 130 9.992 -15.613 -32.351 965 HA HIS 130 HA HIS 130 11.064 -13.356 -33.997 966 1HB HIS 130 2HB HIS 130 11.470 -13.506 -31.367 967 2HB HIS 130 1HB HIS 130 12.733 -14.631 -31.867 968 HD2 HIS 130 HD2 HIS 130 11.791 -10.824 -32.495 969 HE1 HIS 130 HE1 HIS 130 15.852 -11.412 -33.496 970 HE2 HIS 130 HE2 HIS 130 14.013 -9.682 -33.243 971 H HIS 131 H HIS 131 13.717 -14.924 -33.218 972 HA HIS 131 HA HIS 131 13.475 -17.324 -34.876 973 1HB HIS 131 2HB HIS 131 13.655 -15.435 -36.539 974 2HB HIS 131 1HB HIS 131 15.237 -15.060 -35.855 975 HD2 HIS 131 HD2 HIS 131 14.683 -18.850 -35.987 976 HE1 HIS 131 HE1 HIS 131 16.869 -17.864 -39.464 977 HE2 HIS 131 HE2 HIS 131 16.052 -19.773 -38.007 978 H HIS 132 H HIS 132 14.452 -18.506 -33.229 979 HA HIS 132 HA HIS 132 17.262 -17.717 -32.567 980 1HB HIS 132 2HB HIS 132 16.630 -19.162 -30.405 981 2HB HIS 132 1HB HIS 132 16.297 -17.432 -30.489 982 HD2 HIS 132 HD2 HIS 132 13.992 -20.028 -32.369 983 HE1 HIS 132 HE1 HIS 132 11.756 -18.278 -29.243 984 HE2 HIS 132 HE2 HIS 132 11.641 -19.813 -31.260 985 H HIS 133 H HIS 133 18.780 -19.376 -32.659 986 HA HIS 133 HA HIS 133 18.356 -21.592 -34.331 987 1HB HIS 133 2HB HIS 133 20.459 -22.465 -33.494 988 2HB HIS 133 1HB HIS 133 20.592 -20.708 -33.587 989 HD2 HIS 133 HD2 HIS 133 21.062 -23.463 -30.984 990 HE1 HIS 133 HE1 HIS 133 20.628 -19.874 -28.798 991 HE2 HIS 133 HE2 HIS 133 21.287 -22.320 -28.650 992 H HIS 134 HN HIS 134 18.950 -23.954 -33.242 993 HA HIS 134 HA HIS 134 17.280 -24.391 -30.843 994 1HB HIS 134 2HB HIS 134 15.921 -26.121 -31.962 995 2HB HIS 134 1HB HIS 134 15.689 -24.550 -32.728 996 HD2 HIS 134 HD2 HIS 134 17.712 -24.305 -35.047 997 HE1 HIS 134 HE1 HIS 134 17.214 -28.406 -35.921 998 HE2 HIS 134 HE2 HIS 134 18.079 -26.193 -36.808 Start of MODEL 8 1 1H MET 1 1H MET 1 10.090 -28.086 12.725 2 2H MET 1 2H MET 1 9.933 -29.494 13.663 3 3H MET 1 3H MET 1 9.324 -29.454 12.078 4 HA MET 1 HA MET 1 11.528 -29.284 11.168 5 1HB MET 1 2HB MET 1 12.561 -29.598 13.990 6 2HB MET 1 1HB MET 1 13.467 -29.172 12.537 7 1HG MET 1 2HG MET 1 11.300 -27.450 13.774 8 2HG MET 1 1HG MET 1 13.030 -27.202 14.009 9 1HE MET 1 1HE MET 1 10.449 -25.244 12.137 10 2HE MET 1 2HE MET 1 11.908 -24.297 11.858 11 3HE MET 1 3HE MET 1 11.648 -25.060 13.424 12 H ALA 2 H ALA 2 11.791 -31.153 14.185 13 HA ALA 2 HA ALA 2 12.026 -33.472 14.486 14 1HB ALA 2 1HB ALA 2 10.304 -34.831 13.379 15 2HB ALA 2 2HB ALA 2 9.957 -33.506 12.267 16 3HB ALA 2 3HB ALA 2 9.599 -33.333 13.986 17 H TYR 3 H TYR 3 13.157 -31.946 11.827 18 HA TYR 3 HA TYR 3 14.575 -32.568 10.061 19 1HB TYR 3 2HB TYR 3 15.161 -35.014 11.742 20 2HB TYR 3 1HB TYR 3 16.241 -34.185 10.620 21 HD1 TYR 3 HD1 TYR 3 15.146 -34.430 14.019 22 HD2 TYR 3 HD2 TYR 3 16.835 -31.716 11.148 23 HE1 TYR 3 HE1 TYR 3 15.946 -32.978 15.863 24 HE2 TYR 3 HE2 TYR 3 17.637 -30.265 12.993 25 HH TYR 3 HH TYR 3 17.979 -31.195 16.045 26 H SER 4 H SER 4 15.154 -34.669 8.646 27 HA SER 4 HA SER 4 14.272 -36.183 7.083 28 1HB SER 4 2HB SER 4 12.550 -36.999 9.442 29 2HB SER 4 1HB SER 4 12.882 -37.968 8.010 30 HG SER 4 HG SER 4 14.947 -38.221 8.651 31 H GLU 5 H GLU 5 13.283 -34.046 6.213 32 HA GLU 5 HA GLU 5 10.334 -34.450 6.030 33 1HB GLU 5 2HB GLU 5 11.829 -31.982 6.816 34 2HB GLU 5 1HB GLU 5 10.391 -31.792 5.814 35 1HG GLU 5 2HG GLU 5 9.185 -33.289 7.501 36 2HG GLU 5 1HG GLU 5 10.590 -33.070 8.548 37 H LYS 6 H LYS 6 9.548 -34.243 3.948 38 HA LYS 6 HA LYS 6 11.486 -34.130 1.782 39 1HB LYS 6 2HB LYS 6 8.467 -34.001 1.563 40 2HB LYS 6 1HB LYS 6 9.610 -34.533 0.328 41 1HG LYS 6 2HG LYS 6 10.309 -36.219 2.310 42 2HG LYS 6 1HG LYS 6 8.614 -35.974 2.733 43 1HD LYS 6 2HD LYS 6 8.339 -36.342 0.078 44 2HD LYS 6 1HD LYS 6 9.797 -37.299 0.345 45 1HE LYS 6 2HE LYS 6 7.216 -37.597 1.908 46 2HE LYS 6 1HE LYS 6 7.735 -38.662 0.602 47 1HZ LYS 6 1HZ LYS 6 9.132 -39.720 1.946 48 2HZ LYS 6 2HZ LYS 6 8.347 -38.948 3.240 49 3HZ LYS 6 3HZ LYS 6 9.764 -38.281 2.581 50 H VAL 7 H VAL 7 11.084 -32.590 -0.111 51 HA VAL 7 HA VAL 7 10.381 -29.877 0.941 52 HB VAL 7 HB VAL 7 12.366 -30.468 -1.269 53 1HG1 VAL 7 1HG1 VAL 7 11.733 -28.222 -1.440 54 2HG1 VAL 7 2HG1 VAL 7 13.132 -28.125 -0.371 55 3HG1 VAL 7 3HG1 VAL 7 11.502 -28.052 0.300 56 1HG2 VAL 7 1HG2 VAL 7 14.133 -30.191 0.384 57 2HG2 VAL 7 2HG2 VAL 7 13.063 -31.489 0.916 58 3HG2 VAL 7 3HG2 VAL 7 12.946 -29.892 1.654 59 H ILE 8 H ILE 8 8.194 -30.810 0.078 60 HA ILE 8 HA ILE 8 8.004 -30.415 -2.874 61 HB ILE 8 HB ILE 8 5.904 -31.570 -1.020 62 1HG1 ILE 8 2HG1 ILE 8 7.855 -33.112 -2.751 63 2HG1 ILE 8 1HG1 ILE 8 8.124 -32.826 -1.031 64 1HG2 ILE 8 1HG2 ILE 8 6.219 -31.166 -3.951 65 2HG2 ILE 8 2HG2 ILE 8 4.755 -31.167 -2.966 66 3HG2 ILE 8 3HG2 ILE 8 5.502 -32.693 -3.438 67 1HD1 ILE 8 1HD1 ILE 8 5.721 -33.794 -0.735 68 2HD1 ILE 8 2HD1 ILE 8 7.048 -34.914 -1.046 69 3HD1 ILE 8 3HD1 ILE 8 5.961 -34.449 -2.354 70 H ASP 9 H ASP 9 5.535 -29.970 -0.353 71 HA ASP 9 HA ASP 9 4.090 -27.910 -1.372 72 1HB ASP 9 2HB ASP 9 4.241 -26.957 1.145 73 2HB ASP 9 1HB ASP 9 3.322 -28.406 0.734 74 H HIS 10 H HIS 10 7.410 -27.662 -0.281 75 HA HIS 10 HA HIS 10 7.383 -24.719 -0.447 76 1HB HIS 10 2HB HIS 10 8.922 -26.535 0.968 77 2HB HIS 10 1HB HIS 10 10.006 -26.027 -0.328 78 HD2 HIS 10 HD2 HIS 10 9.717 -22.918 -0.556 79 HE1 HIS 10 HE1 HIS 10 9.642 -22.685 3.660 80 HE2 HIS 10 HE2 HIS 10 9.963 -21.360 1.521 81 H TYR 11 H TYR 11 7.764 -23.650 -2.323 82 HA TYR 11 HA TYR 11 8.026 -24.760 -4.844 83 1HB TYR 11 2HB TYR 11 8.622 -22.147 -3.650 84 2HB TYR 11 1HB TYR 11 9.609 -22.501 -5.068 85 HD1 TYR 11 HD1 TYR 11 6.368 -21.497 -3.884 86 HD2 TYR 11 HD2 TYR 11 8.413 -23.319 -7.193 87 HE1 TYR 11 HE1 TYR 11 4.434 -20.996 -5.354 88 HE2 TYR 11 HE2 TYR 11 6.479 -22.818 -8.664 89 HH TYR 11 HH TYR 11 4.389 -20.724 -8.301 90 H GLU 12 H GLU 12 9.915 -25.003 -6.281 91 HA GLU 12 HA GLU 12 12.424 -25.627 -4.775 92 1HB GLU 12 2HB GLU 12 10.787 -27.317 -6.530 93 2HB GLU 12 1HB GLU 12 12.489 -27.274 -6.995 94 1HG GLU 12 2HG GLU 12 13.208 -28.139 -4.940 95 2HG GLU 12 1HG GLU 12 11.728 -27.654 -4.109 96 H ASN 13 H ASN 13 11.575 -23.203 -6.301 97 HA ASN 13 HA ASN 13 13.334 -23.314 -8.683 98 1HB ASN 13 2HB ASN 13 12.505 -20.895 -8.931 99 2HB ASN 13 1HB ASN 13 11.292 -22.164 -9.111 100 1HD2 ASN 13 1HD2 ASN 13 9.407 -21.615 -8.019 101 2HD2 ASN 13 2HD2 ASN 13 9.339 -20.786 -6.540 102 HA PRO 14 HA PRO 14 16.808 -21.513 -6.667 103 1HB PRO 14 2HB PRO 14 17.743 -19.880 -8.696 104 2HB PRO 14 1HB PRO 14 18.016 -21.630 -8.611 105 1HG PRO 14 2HG PRO 14 16.037 -20.097 -10.212 106 2HG PRO 14 1HG PRO 14 16.950 -21.557 -10.634 107 1HD PRO 14 2HD PRO 14 14.325 -21.639 -9.912 108 2HD PRO 14 1HD PRO 14 15.452 -22.970 -9.567 109 H ARG 15 H ARG 15 15.829 -18.820 -8.779 110 HA ARG 15 HA ARG 15 16.114 -16.915 -6.608 111 1HB ARG 15 2HB ARG 15 15.964 -16.803 -9.428 112 2HB ARG 15 1HB ARG 15 14.585 -15.877 -8.833 113 1HG ARG 15 2HG ARG 15 16.396 -14.329 -8.957 114 2HG ARG 15 1HG ARG 15 16.219 -14.726 -7.245 115 1HD ARG 15 2HD ARG 15 17.943 -16.688 -8.207 116 2HD ARG 15 1HD ARG 15 18.470 -15.230 -9.043 117 HE ARG 15 HE ARG 15 19.158 -15.787 -6.414 118 1HH1 ARG 15 1HH2 ARG 15 17.327 -13.345 -8.030 119 2HH1 ARG 15 2HH2 ARG 15 17.603 -12.151 -6.809 120 1HH2 ARG 15 2HH1 ARG 15 19.529 -14.236 -4.825 121 2HH2 ARG 15 1HH1 ARG 15 18.849 -12.653 -5.000 122 H ASN 16 H ASN 16 13.784 -15.278 -7.336 123 HA ASN 16 HA ASN 16 11.370 -16.793 -6.844 124 1HB ASN 16 2HB ASN 16 12.184 -17.039 -4.599 125 2HB ASN 16 1HB ASN 16 12.678 -15.346 -4.526 126 1HD2 ASN 16 1HD2 ASN 16 9.752 -17.413 -4.827 127 2HD2 ASN 16 2HD2 ASN 16 8.696 -16.287 -4.121 128 H VAL 17 H VAL 17 12.987 -13.642 -6.452 129 HA VAL 17 HA VAL 17 10.469 -12.238 -7.095 130 HB VAL 17 HB VAL 17 11.630 -10.230 -6.542 131 1HG1 VAL 17 1HG1 VAL 17 12.744 -12.456 -4.807 132 2HG1 VAL 17 2HG1 VAL 17 11.168 -11.691 -4.605 133 3HG1 VAL 17 3HG1 VAL 17 12.642 -10.754 -4.353 134 1HG2 VAL 17 1HG2 VAL 17 14.129 -11.895 -6.948 135 2HG2 VAL 17 2HG2 VAL 17 14.150 -10.308 -6.179 136 3HG2 VAL 17 3HG2 VAL 17 13.628 -10.468 -7.855 137 H GLY 18 H GLY 18 10.439 -10.668 -8.909 138 1HA GLY 18 2HA GLY 18 12.347 -10.384 -10.923 139 2HA GLY 18 1HA GLY 18 11.464 -11.854 -11.342 140 H SER 19 H SER 19 10.119 -8.986 -9.749 141 HA SER 19 HA SER 19 8.643 -8.334 -12.250 142 1HB SER 19 2HB SER 19 7.397 -9.824 -10.398 143 2HB SER 19 1HB SER 19 7.114 -8.236 -9.691 144 HG SER 19 HG SER 19 5.817 -9.359 -11.672 145 H LEU 20 H LEU 20 9.721 -6.362 -12.490 146 HA LEU 20 HA LEU 20 8.781 -4.127 -10.985 147 1HB LEU 20 2HB LEU 20 10.640 -5.471 -9.516 148 2HB LEU 20 1HB LEU 20 11.677 -4.361 -10.412 149 HG LEU 20 HG LEU 20 9.856 -2.582 -9.717 150 1HD1 LEU 20 1HD1 LEU 20 8.253 -4.015 -8.676 151 2HD1 LEU 20 2HD1 LEU 20 9.066 -3.173 -7.357 152 3HD1 LEU 20 3HD1 LEU 20 9.496 -4.841 -7.737 153 1HD2 LEU 20 1HD2 LEU 20 11.149 -2.419 -7.438 154 2HD2 LEU 20 2HD2 LEU 20 12.036 -2.208 -8.947 155 3HD2 LEU 20 3HD2 LEU 20 12.103 -3.749 -8.093 156 H ASP 21 H ASP 21 10.861 -5.593 -13.297 157 HA ASP 21 HA ASP 21 11.805 -2.973 -14.318 158 1HB ASP 21 2HB ASP 21 12.986 -5.478 -14.229 159 2HB ASP 21 1HB ASP 21 12.458 -5.349 -15.907 160 H LYS 22 H LYS 22 11.077 -2.110 -16.265 161 HA LYS 22 HA LYS 22 8.480 -2.896 -17.199 162 1HB LYS 22 2HB LYS 22 10.344 -1.304 -18.927 163 2HB LYS 22 1HB LYS 22 8.621 -1.068 -18.630 164 1HG LYS 22 2HG LYS 22 9.370 -0.589 -16.169 165 2HG LYS 22 1HG LYS 22 10.956 -0.310 -16.892 166 1HD LYS 22 2HD LYS 22 9.929 1.333 -18.452 167 2HD LYS 22 1HD LYS 22 8.379 1.098 -17.643 168 1HE LYS 22 2HE LYS 22 10.598 1.675 -15.801 169 2HE LYS 22 1HE LYS 22 10.249 2.986 -16.928 170 1HZ LYS 22 1HZ LYS 22 8.634 1.921 -14.768 171 2HZ LYS 22 2HZ LYS 22 7.789 2.282 -16.198 172 3HZ LYS 22 3HZ LYS 22 8.690 3.490 -15.411 173 H LYS 23 H LYS 23 10.892 -4.845 -17.374 174 HA LYS 23 HA LYS 23 10.487 -5.563 -20.252 175 1HB LYS 23 2HB LYS 23 12.872 -6.006 -18.436 176 2HB LYS 23 1HB LYS 23 12.690 -6.797 -20.001 177 1HG LYS 23 2HG LYS 23 13.378 -4.949 -21.084 178 2HG LYS 23 1HG LYS 23 12.171 -3.964 -20.258 179 1HD LYS 23 2HD LYS 23 13.757 -4.014 -18.233 180 2HD LYS 23 1HD LYS 23 14.978 -4.620 -19.355 181 1HE LYS 23 2HE LYS 23 15.365 -2.351 -19.560 182 2HE LYS 23 1HE LYS 23 14.140 -2.553 -20.813 183 1HZ LYS 23 1HZ LYS 23 12.745 -1.269 -19.693 184 2HZ LYS 23 2HZ LYS 23 14.004 -0.901 -18.614 185 3HZ LYS 23 3HZ LYS 23 12.935 -2.178 -18.273 186 H ASP 24 H ASP 24 9.977 -6.482 -17.014 187 HA ASP 24 HA ASP 24 10.073 -9.341 -17.271 188 1HB ASP 24 2HB ASP 24 8.067 -8.079 -15.455 189 2HB ASP 24 1HB ASP 24 9.205 -9.387 -15.132 190 H SER 25 H SER 25 8.052 -10.735 -17.197 191 HA SER 25 HA SER 25 6.112 -9.707 -19.211 192 1HB SER 25 2HB SER 25 7.454 -11.955 -19.422 193 2HB SER 25 1HB SER 25 6.246 -12.570 -18.297 194 HG SER 25 HG SER 25 5.009 -12.738 -19.979 195 H ASN 26 H ASN 26 6.330 -9.737 -15.977 196 HA ASN 26 HA ASN 26 3.471 -10.509 -15.571 197 1HB ASN 26 2HB ASN 26 4.775 -10.040 -13.082 198 2HB ASN 26 1HB ASN 26 4.210 -11.579 -13.733 199 1HD2 ASN 26 1HD2 ASN 26 7.026 -9.779 -12.912 200 2HD2 ASN 26 2HD2 ASN 26 8.169 -10.818 -13.615 201 H VAL 27 H VAL 27 5.427 -7.849 -16.027 202 HA VAL 27 HA VAL 27 3.615 -6.119 -14.390 203 HB VAL 27 HB VAL 27 6.491 -5.708 -15.247 204 1HG1 VAL 27 1HG1 VAL 27 5.270 -3.602 -15.520 205 2HG1 VAL 27 2HG1 VAL 27 6.298 -3.511 -14.088 206 3HG1 VAL 27 3HG1 VAL 27 4.563 -3.780 -13.914 207 1HG2 VAL 27 1HG2 VAL 27 6.548 -5.299 -12.646 208 2HG2 VAL 27 2HG2 VAL 27 6.525 -6.949 -13.267 209 3HG2 VAL 27 3HG2 VAL 27 5.041 -6.215 -12.664 210 H GLY 28 H GLY 28 2.159 -5.081 -15.652 211 1HA GLY 28 2HA GLY 28 2.706 -4.731 -18.532 212 2HA GLY 28 1HA GLY 28 1.168 -4.415 -17.727 213 H THR 29 H THR 29 3.152 -2.764 -19.478 214 HA THR 29 HA THR 29 3.276 -0.403 -17.644 215 HB THR 29 HB THR 29 4.938 -0.894 -20.132 216 HG1 THR 29 HG1 THR 29 5.971 -2.192 -18.856 217 1HG2 THR 29 1HG2 THR 29 6.308 0.949 -19.189 218 2HG2 THR 29 2HG2 THR 29 5.137 1.129 -17.883 219 3HG2 THR 29 3HG2 THR 29 4.661 1.469 -19.547 220 H GLY 30 H GLY 30 1.577 0.915 -18.101 221 1HA GLY 30 2HA GLY 30 0.687 1.137 -20.942 222 2HA GLY 30 1HA GLY 30 -0.314 1.528 -19.543 223 H MET 31 H MET 31 2.262 2.672 -21.624 224 HA MET 31 HA MET 31 2.528 5.195 -20.123 225 1HB MET 31 2HB MET 31 4.504 4.155 -21.220 226 2HB MET 31 1HB MET 31 3.724 4.372 -22.787 227 1HG MET 31 2HG MET 31 4.805 6.371 -22.814 228 2HG MET 31 1HG MET 31 3.520 6.892 -21.725 229 1HE MET 31 1HE MET 31 6.100 8.069 -22.232 230 2HE MET 31 2HE MET 31 7.444 6.972 -21.930 231 3HE MET 31 3HE MET 31 7.107 8.273 -20.793 232 H VAL 32 H VAL 32 1.092 6.818 -20.450 233 HA VAL 32 HA VAL 32 -0.055 7.138 -23.191 234 HB VAL 32 HB VAL 32 -2.085 8.086 -21.716 235 1HG1 VAL 32 1HG1 VAL 32 -1.445 5.270 -22.580 236 2HG1 VAL 32 2HG1 VAL 32 -2.540 6.432 -23.328 237 3HG1 VAL 32 3HG1 VAL 32 -2.989 5.647 -21.814 238 1HG2 VAL 32 1HG2 VAL 32 -0.998 5.811 -20.032 239 2HG2 VAL 32 2HG2 VAL 32 -2.414 6.808 -19.698 240 3HG2 VAL 32 3HG2 VAL 32 -0.798 7.510 -19.604 241 H GLY 33 H GLY 33 -1.055 9.432 -23.378 242 1HA GLY 33 2HA GLY 33 -0.017 11.494 -21.618 243 2HA GLY 33 1HA GLY 33 0.888 11.401 -23.130 244 H ALA 34 H ALA 34 -0.617 13.685 -22.459 245 HA ALA 34 HA ALA 34 -2.829 13.506 -24.468 246 1HB ALA 34 1HB ALA 34 -4.012 15.243 -23.174 247 2HB ALA 34 2HB ALA 34 -2.706 15.252 -21.989 248 3HB ALA 34 3HB ALA 34 -3.713 13.818 -22.180 249 HA PRO 35 HA PRO 35 0.577 16.372 -25.936 250 1HB PRO 35 2HB PRO 35 -0.771 15.554 -28.470 251 2HB PRO 35 1HB PRO 35 0.961 15.671 -28.099 252 1HG PRO 35 2HG PRO 35 -0.284 13.316 -28.257 253 2HG PRO 35 1HG PRO 35 1.026 13.608 -27.102 254 1HD PRO 35 2HD PRO 35 -1.904 13.375 -26.600 255 2HD PRO 35 1HD PRO 35 -0.539 12.973 -25.535 256 H ALA 36 H ALA 36 -2.821 16.351 -25.916 257 HA ALA 36 HA ALA 36 -3.159 18.821 -27.470 258 1HB ALA 36 1HB ALA 36 -5.421 18.161 -25.788 259 2HB ALA 36 2HB ALA 36 -4.849 16.723 -26.632 260 3HB ALA 36 3HB ALA 36 -5.311 18.157 -27.548 261 H CYS 37 H CYS 37 -2.834 17.865 -24.102 262 HA CYS 37 HA CYS 37 -3.186 20.730 -23.324 263 1HB CYS 37 2HB CYS 37 -3.910 20.024 -21.192 264 2HB CYS 37 1HB CYS 37 -4.671 18.870 -22.287 265 HG CYS 37 HG CYS 37 -2.106 18.227 -20.612 266 H GLY 38 H GLY 38 -0.948 18.128 -23.567 267 1HA GLY 38 2HA GLY 38 1.421 18.342 -23.336 268 2HA GLY 38 1HA GLY 38 1.173 19.864 -22.479 269 H ASP 39 H ASP 39 -0.279 16.688 -21.794 270 HA ASP 39 HA ASP 39 1.111 16.763 -19.144 271 1HB ASP 39 2HB ASP 39 -1.194 17.203 -18.700 272 2HB ASP 39 1HB ASP 39 -1.723 15.966 -19.841 273 H VAL 40 H VAL 40 2.397 15.021 -18.812 274 HA VAL 40 HA VAL 40 2.023 12.647 -20.573 275 HB VAL 40 HB VAL 40 4.394 13.272 -18.796 276 1HG1 VAL 40 1HG1 VAL 40 4.094 11.540 -21.268 277 2HG1 VAL 40 2HG1 VAL 40 4.125 10.936 -19.611 278 3HG1 VAL 40 3HG1 VAL 40 5.552 11.719 -20.291 279 1HG2 VAL 40 1HG2 VAL 40 4.992 13.740 -21.537 280 2HG2 VAL 40 2HG2 VAL 40 4.968 14.918 -20.225 281 3HG2 VAL 40 3HG2 VAL 40 3.512 14.629 -21.177 282 H MET 41 H MET 41 1.844 10.556 -19.644 283 HA MET 41 HA MET 41 1.789 10.349 -16.691 284 1HB MET 41 2HB MET 41 -0.524 10.995 -17.406 285 2HB MET 41 1HB MET 41 -0.584 9.536 -18.396 286 1HG MET 41 2HG MET 41 0.251 9.100 -15.595 287 2HG MET 41 1HG MET 41 -1.414 9.646 -15.797 288 1HE MET 41 1HE MET 41 -1.926 7.078 -14.611 289 2HE MET 41 2HE MET 41 -2.965 6.394 -15.858 290 3HE MET 41 3HE MET 41 -3.001 8.126 -15.545 291 H GLN 42 H GLN 42 2.292 8.271 -15.986 292 HA GLN 42 HA GLN 42 2.523 6.153 -18.077 293 1HB GLN 42 2HB GLN 42 4.757 7.156 -17.670 294 2HB GLN 42 1HB GLN 42 4.598 6.783 -15.953 295 1HG GLN 42 2HG GLN 42 4.384 4.376 -16.511 296 2HG GLN 42 1HG GLN 42 4.604 4.766 -18.217 297 1HE2 GLN 42 1HE2 GLN 42 6.746 5.320 -18.948 298 2HE2 GLN 42 2HE2 GLN 42 8.111 5.176 -17.950 299 H LEU 43 H LEU 43 1.092 4.622 -17.406 300 HA LEU 43 HA LEU 43 0.722 4.187 -14.489 301 1HB LEU 43 2HB LEU 43 -1.271 4.495 -16.006 302 2HB LEU 43 1HB LEU 43 -0.836 2.975 -16.788 303 HG LEU 43 HG LEU 43 -0.770 2.345 -14.084 304 1HD1 LEU 43 1HD1 LEU 43 -2.905 3.162 -13.186 305 2HD1 LEU 43 2HD1 LEU 43 -3.186 4.088 -14.660 306 3HD1 LEU 43 3HD1 LEU 43 -1.856 4.522 -13.587 307 1HD2 LEU 43 1HD2 LEU 43 -1.689 0.778 -15.564 308 2HD2 LEU 43 2HD2 LEU 43 -2.752 1.966 -16.316 309 3HD2 LEU 43 3HD2 LEU 43 -3.119 1.348 -14.705 310 H GLN 44 H GLN 44 1.096 2.143 -13.544 311 HA GLN 44 HA GLN 44 2.229 0.020 -15.290 312 1HB GLN 44 2HB GLN 44 3.622 1.364 -12.972 313 2HB GLN 44 1HB GLN 44 4.044 -0.274 -13.473 314 1HG GLN 44 2HG GLN 44 4.211 0.776 -15.865 315 2HG GLN 44 1HG GLN 44 4.350 2.304 -14.993 316 1HE2 GLN 44 1HE2 GLN 44 5.921 1.750 -12.828 317 2HE2 GLN 44 2HE2 GLN 44 7.423 1.115 -13.300 318 H ILE 45 H ILE 45 0.975 -1.722 -14.820 319 HA ILE 45 HA ILE 45 0.071 -2.073 -11.992 320 HB ILE 45 HB ILE 45 -1.663 -3.599 -13.004 321 1HG1 ILE 45 2HG1 ILE 45 -1.354 -2.416 -15.671 322 2HG1 ILE 45 1HG1 ILE 45 -0.014 -3.473 -15.230 323 1HG2 ILE 45 1HG2 ILE 45 -2.856 -1.611 -14.217 324 2HG2 ILE 45 2HG2 ILE 45 -1.456 -0.677 -13.691 325 3HG2 ILE 45 3HG2 ILE 45 -2.489 -1.465 -12.499 326 1HD1 ILE 45 1HD1 ILE 45 -1.533 -5.299 -14.747 327 2HD1 ILE 45 2HD1 ILE 45 -1.914 -4.677 -16.353 328 3HD1 ILE 45 3HD1 ILE 45 -2.932 -4.250 -14.978 329 H LYS 46 H LYS 46 0.735 -3.895 -10.901 330 HA LYS 46 HA LYS 46 2.452 -5.800 -12.431 331 1HB LYS 46 2HB LYS 46 2.426 -5.639 -9.432 332 2HB LYS 46 1HB LYS 46 3.747 -6.090 -10.513 333 1HG LYS 46 2HG LYS 46 3.717 -3.685 -11.351 334 2HG LYS 46 1HG LYS 46 2.642 -3.320 -10.001 335 1HD LYS 46 2HD LYS 46 4.442 -4.443 -8.520 336 2HD LYS 46 1HD LYS 46 5.507 -4.258 -9.913 337 1HE LYS 46 2HE LYS 46 5.760 -2.324 -8.446 338 2HE LYS 46 1HE LYS 46 4.982 -1.820 -9.947 339 1HZ LYS 46 1HZ LYS 46 3.724 -0.857 -8.247 340 2HZ LYS 46 2HZ LYS 46 3.741 -2.267 -7.299 341 3HZ LYS 46 3HZ LYS 46 2.818 -2.209 -8.724 342 H VAL 47 H VAL 47 2.113 -8.041 -12.180 343 HA VAL 47 HA VAL 47 -0.368 -8.816 -10.700 344 HB VAL 47 HB VAL 47 0.475 -10.229 -13.215 345 1HG1 VAL 47 1HG1 VAL 47 -1.852 -10.830 -13.304 346 2HG1 VAL 47 2HG1 VAL 47 -2.268 -9.639 -12.072 347 3HG1 VAL 47 3HG1 VAL 47 -1.330 -11.068 -11.636 348 1HG2 VAL 47 1HG2 VAL 47 -1.028 -8.693 -14.485 349 2HG2 VAL 47 2HG2 VAL 47 0.395 -7.866 -13.850 350 3HG2 VAL 47 3HG2 VAL 47 -1.164 -7.679 -13.047 351 H ASP 48 H ASP 48 -0.264 -10.857 -9.654 352 HA ASP 48 HA ASP 48 1.788 -12.794 -10.063 353 1HB ASP 48 2HB ASP 48 2.616 -10.477 -8.569 354 2HB ASP 48 1HB ASP 48 2.614 -11.886 -7.507 355 H ASP 49 H ASP 49 -0.376 -11.238 -7.723 356 HA ASP 49 HA ASP 49 -0.592 -13.451 -5.930 357 1HB ASP 49 2HB ASP 49 -2.140 -10.986 -6.489 358 2HB ASP 49 1HB ASP 49 -3.044 -12.299 -5.732 359 H ASN 50 H ASN 50 -0.573 -14.533 -8.490 360 HA ASN 50 HA ASN 50 -1.681 -16.315 -9.570 361 1HB ASN 50 2HB ASN 50 -4.185 -15.791 -7.994 362 2HB ASN 50 1HB ASN 50 -3.537 -17.323 -8.579 363 1HD2 ASN 50 1HD2 ASN 50 -3.868 -15.460 -5.788 364 2HD2 ASN 50 2HD2 ASN 50 -2.632 -16.163 -4.861 365 H GLY 51 H GLY 51 -1.559 -13.931 -10.837 366 1HA GLY 51 2HA GLY 51 -2.574 -12.998 -12.765 367 2HA GLY 51 1HA GLY 51 -4.015 -13.959 -12.433 368 H ILE 52 H ILE 52 -3.280 -12.527 -9.571 369 HA ILE 52 HA ILE 52 -5.300 -10.406 -10.039 370 HB ILE 52 HB ILE 52 -4.055 -11.427 -7.467 371 1HG1 ILE 52 2HG1 ILE 52 -5.420 -13.146 -8.490 372 2HG1 ILE 52 1HG1 ILE 52 -6.344 -12.438 -7.166 373 1HG2 ILE 52 1HG2 ILE 52 -6.590 -9.821 -7.701 374 2HG2 ILE 52 2HG2 ILE 52 -5.028 -9.006 -7.620 375 3HG2 ILE 52 3HG2 ILE 52 -5.549 -10.047 -6.296 376 1HD1 ILE 52 1HD1 ILE 52 -7.239 -10.816 -9.033 377 2HD1 ILE 52 2HD1 ILE 52 -7.925 -12.434 -8.882 378 3HD1 ILE 52 3HD1 ILE 52 -6.720 -12.100 -10.126 379 H ILE 53 H ILE 53 -4.857 -8.207 -9.597 380 HA ILE 53 HA ILE 53 -2.091 -7.395 -9.991 381 HB ILE 53 HB ILE 53 -4.670 -5.901 -9.490 382 1HG1 ILE 53 2HG1 ILE 53 -2.735 -5.964 -11.830 383 2HG1 ILE 53 1HG1 ILE 53 -4.240 -6.880 -11.741 384 1HG2 ILE 53 1HG2 ILE 53 -3.350 -4.286 -8.567 385 2HG2 ILE 53 2HG2 ILE 53 -2.899 -3.967 -10.242 386 3HG2 ILE 53 3HG2 ILE 53 -1.870 -4.980 -9.229 387 1HD1 ILE 53 1HD1 ILE 53 -5.255 -5.081 -12.649 388 2HD1 ILE 53 2HD1 ILE 53 -3.829 -4.072 -12.407 389 3HD1 ILE 53 3HD1 ILE 53 -4.998 -4.272 -11.103 390 H GLU 54 H GLU 54 -1.103 -8.354 -8.073 391 HA GLU 54 HA GLU 54 -1.864 -7.928 -5.405 392 1HB GLU 54 2HB GLU 54 0.754 -7.938 -5.045 393 2HB GLU 54 1HB GLU 54 -0.070 -9.392 -5.611 394 1HG GLU 54 2HG GLU 54 0.918 -9.295 -7.650 395 2HG GLU 54 1HG GLU 54 0.686 -7.552 -7.776 396 H ASP 55 H ASP 55 0.215 -5.849 -7.444 397 HA ASP 55 HA ASP 55 -0.553 -3.564 -5.707 398 1HB ASP 55 2HB ASP 55 2.249 -4.532 -6.254 399 2HB ASP 55 1HB ASP 55 1.934 -2.831 -5.905 400 H ALA 56 H ALA 56 0.493 -1.475 -6.804 401 HA ALA 56 HA ALA 56 0.766 -1.668 -9.713 402 1HB ALA 56 1HB ALA 56 -1.277 0.230 -9.505 403 2HB ALA 56 2HB ALA 56 -1.810 -1.099 -8.476 404 3HB ALA 56 3HB ALA 56 -1.428 -1.395 -10.172 405 H LYS 57 H LYS 57 2.264 -0.148 -10.218 406 HA LYS 57 HA LYS 57 2.584 2.169 -8.369 407 1HB LYS 57 2HB LYS 57 4.434 0.672 -10.195 408 2HB LYS 57 1HB LYS 57 4.784 2.363 -9.829 409 1HG LYS 57 2HG LYS 57 4.061 0.659 -7.508 410 2HG LYS 57 1HG LYS 57 5.618 0.315 -8.264 411 1HD LYS 57 2HD LYS 57 6.517 2.335 -7.651 412 2HD LYS 57 1HD LYS 57 4.976 3.183 -7.797 413 1HE LYS 57 2HE LYS 57 4.211 2.345 -5.690 414 2HE LYS 57 1HE LYS 57 5.541 1.191 -5.591 415 1HZ LYS 57 1HZ LYS 57 6.931 2.743 -4.828 416 2HZ LYS 57 2HZ LYS 57 5.534 3.640 -4.468 417 3HZ LYS 57 3HZ LYS 57 6.381 3.927 -5.911 418 H PHE 58 H PHE 58 2.854 4.304 -9.304 419 HA PHE 58 HA PHE 58 2.054 4.574 -12.155 420 1HB PHE 58 2HB PHE 58 0.332 6.213 -11.610 421 2HB PHE 58 1HB PHE 58 -0.012 4.712 -10.749 422 HD1 PHE 58 HD1 PHE 58 0.715 8.236 -10.430 423 HD2 PHE 58 HD2 PHE 58 0.736 4.492 -8.324 424 HE1 PHE 58 HE1 PHE 58 0.799 9.451 -8.269 425 HE2 PHE 58 HE2 PHE 58 0.820 5.707 -6.164 426 HZ PHE 58 HZ PHE 58 0.852 8.187 -6.136 427 H LYS 59 H LYS 59 2.148 7.070 -12.696 428 HA LYS 59 HA LYS 59 3.887 8.733 -11.114 429 1HB LYS 59 2HB LYS 59 5.302 6.776 -12.396 430 2HB LYS 59 1HB LYS 59 5.314 8.048 -13.617 431 1HG LYS 59 2HG LYS 59 5.886 9.512 -11.399 432 2HG LYS 59 1HG LYS 59 6.622 7.972 -10.958 433 1HD LYS 59 2HD LYS 59 7.153 9.564 -13.483 434 2HD LYS 59 1HD LYS 59 8.266 9.337 -12.133 435 1HE LYS 59 2HE LYS 59 7.464 6.745 -12.881 436 2HE LYS 59 1HE LYS 59 7.769 7.596 -14.395 437 1HZ LYS 59 1HZ LYS 59 9.899 8.369 -13.298 438 2HZ LYS 59 2HZ LYS 59 9.825 6.734 -13.750 439 3HZ LYS 59 3HZ LYS 59 9.617 7.179 -12.124 440 H THR 60 H THR 60 2.502 10.431 -11.610 441 HA THR 60 HA THR 60 2.143 11.069 -14.508 442 HB THR 60 HB THR 60 0.053 11.904 -14.029 443 HG1 THR 60 HG1 THR 60 1.122 13.410 -12.486 444 1HG2 THR 60 1HG2 THR 60 -1.031 10.571 -12.252 445 2HG2 THR 60 2HG2 THR 60 0.555 10.121 -11.629 446 3HG2 THR 60 3HG2 THR 60 0.050 9.579 -13.229 447 H TYR 61 H TYR 61 3.117 12.902 -15.268 448 HA TYR 61 HA TYR 61 3.841 15.049 -13.349 449 1HB TYR 61 2HB TYR 61 6.131 15.089 -14.646 450 2HB TYR 61 1HB TYR 61 5.908 13.959 -13.311 451 HD1 TYR 61 HD1 TYR 61 5.425 11.567 -13.750 452 HD2 TYR 61 HD2 TYR 61 6.276 14.322 -16.934 453 HE1 TYR 61 HE1 TYR 61 5.825 9.664 -15.289 454 HE2 TYR 61 HE2 TYR 61 6.675 12.420 -18.473 455 HH TYR 61 HH TYR 61 6.985 9.186 -17.358 456 H GLY 62 H GLY 62 3.395 17.011 -14.248 457 1HA GLY 62 2HA GLY 62 3.973 18.159 -16.606 458 2HA GLY 62 1HA GLY 62 2.655 17.099 -17.109 459 H CYS 63 H CYS 63 0.760 17.258 -15.279 460 HA CYS 63 HA CYS 63 0.259 20.186 -14.908 461 1HB CYS 63 2HB CYS 63 -1.170 18.439 -16.522 462 2HB CYS 63 1HB CYS 63 -2.128 18.493 -15.042 463 HG CYS 63 HG CYS 63 -2.744 20.857 -15.514 464 H GLY 64 H GLY 64 -0.878 20.775 -12.975 465 1HA GLY 64 2HA GLY 64 -0.704 18.693 -10.842 466 2HA GLY 64 1HA GLY 64 -0.629 20.432 -10.555 467 H SER 65 H SER 65 -2.905 18.241 -12.252 468 HA SER 65 HA SER 65 -5.071 19.236 -10.482 469 1HB SER 65 2HB SER 65 -5.016 20.689 -12.531 470 2HB SER 65 1HB SER 65 -5.291 19.248 -13.507 471 HG SER 65 HG SER 65 -7.240 20.338 -12.990 472 H ALA 66 H ALA 66 -3.580 16.761 -12.267 473 HA ALA 66 HA ALA 66 -6.015 15.046 -12.138 474 1HB ALA 66 1HB ALA 66 -5.138 13.796 -13.866 475 2HB ALA 66 2HB ALA 66 -3.471 14.065 -13.353 476 3HB ALA 66 3HB ALA 66 -4.345 15.333 -14.215 477 H ILE 67 H ILE 67 -3.130 15.715 -10.469 478 HA ILE 67 HA ILE 67 -2.110 13.343 -9.524 479 HB ILE 67 HB ILE 67 -2.747 15.919 -8.110 480 1HG1 ILE 67 2HG1 ILE 67 -0.175 15.746 -7.852 481 2HG1 ILE 67 1HG1 ILE 67 -0.281 14.434 -9.026 482 1HG2 ILE 67 1HG2 ILE 67 -1.818 13.325 -6.886 483 2HG2 ILE 67 2HG2 ILE 67 -3.040 14.449 -6.291 484 3HG2 ILE 67 3HG2 ILE 67 -1.331 14.874 -6.198 485 1HD1 ILE 67 1HD1 ILE 67 -1.576 17.103 -9.564 486 2HD1 ILE 67 2HD1 ILE 67 -1.108 15.855 -10.719 487 3HD1 ILE 67 3HD1 ILE 67 0.129 16.831 -9.926 488 H ALA 68 H ALA 68 -5.003 14.929 -8.127 489 HA ALA 68 HA ALA 68 -5.727 12.950 -6.290 490 1HB ALA 68 1HB ALA 68 -8.083 13.721 -6.648 491 2HB ALA 68 2HB ALA 68 -7.530 14.642 -8.048 492 3HB ALA 68 3HB ALA 68 -6.947 15.054 -6.435 493 H SER 69 H SER 69 -7.209 13.203 -9.545 494 HA SER 69 HA SER 69 -8.528 10.808 -9.705 495 1HB SER 69 2HB SER 69 -6.703 11.744 -11.933 496 2HB SER 69 1HB SER 69 -8.201 10.830 -12.086 497 HG SER 69 HG SER 69 -8.447 13.176 -10.683 498 H SER 70 H SER 70 -5.052 11.152 -10.532 499 HA SER 70 HA SER 70 -4.466 8.449 -10.970 500 1HB SER 70 2HB SER 70 -2.202 9.006 -10.646 501 2HB SER 70 1HB SER 70 -2.927 10.545 -11.102 502 HG SER 70 HG SER 70 -1.819 11.000 -9.287 503 H SER 71 H SER 71 -4.486 10.196 -7.853 504 HA SER 71 HA SER 71 -3.696 8.014 -6.218 505 1HB SER 71 2HB SER 71 -5.757 9.815 -5.094 506 2HB SER 71 1HB SER 71 -4.160 9.409 -4.473 507 HG SER 71 HG SER 71 -4.594 11.633 -5.364 508 H LEU 72 H LEU 72 -6.846 8.901 -7.548 509 HA LEU 72 HA LEU 72 -8.372 6.998 -6.014 510 1HB LEU 72 2HB LEU 72 -9.474 8.864 -7.144 511 2HB LEU 72 1HB LEU 72 -8.930 8.268 -8.712 512 HG LEU 72 HG LEU 72 -10.225 6.195 -8.380 513 1HD1 LEU 72 1HD1 LEU 72 -10.751 7.492 -5.718 514 2HD1 LEU 72 2HD1 LEU 72 -10.309 5.822 -6.071 515 3HD1 LEU 72 3HD1 LEU 72 -11.944 6.391 -6.408 516 1HD2 LEU 72 1HD2 LEU 72 -12.516 7.266 -8.413 517 2HD2 LEU 72 2HD2 LEU 72 -11.361 7.998 -9.526 518 3HD2 LEU 72 3HD2 LEU 72 -11.740 8.794 -8.000 519 H ILE 73 H ILE 73 -7.943 6.822 -9.552 520 HA ILE 73 HA ILE 73 -8.445 4.146 -9.930 521 HB ILE 73 HB ILE 73 -7.953 5.349 -11.890 522 1HG1 ILE 73 2HG1 ILE 73 -5.353 3.855 -11.504 523 2HG1 ILE 73 1HG1 ILE 73 -6.886 3.007 -11.705 524 1HG2 ILE 73 1HG2 ILE 73 -5.843 6.476 -10.208 525 2HG2 ILE 73 2HG2 ILE 73 -6.672 7.187 -11.593 526 3HG2 ILE 73 3HG2 ILE 73 -5.284 6.127 -11.843 527 1HD1 ILE 73 1HD1 ILE 73 -7.106 3.633 -13.906 528 2HD1 ILE 73 2HD1 ILE 73 -5.346 3.678 -13.800 529 3HD1 ILE 73 3HD1 ILE 73 -6.276 5.170 -13.659 530 H THR 74 H THR 74 -5.303 5.510 -8.913 531 HA THR 74 HA THR 74 -3.855 3.084 -8.782 532 HB THR 74 HB THR 74 -2.588 4.295 -6.883 533 HG1 THR 74 HG1 THR 74 -3.956 5.753 -6.116 534 1HG2 THR 74 1HG2 THR 74 -2.983 5.416 -9.657 535 2HG2 THR 74 2HG2 THR 74 -1.672 4.394 -9.068 536 3HG2 THR 74 3HG2 THR 74 -1.781 6.077 -8.550 537 H GLU 75 H GLU 75 -6.152 4.508 -6.505 538 HA GLU 75 HA GLU 75 -5.708 2.279 -4.601 539 1HB GLU 75 2HB GLU 75 -6.901 4.972 -4.485 540 2HB GLU 75 1HB GLU 75 -7.807 3.747 -3.598 541 1HG GLU 75 2HG GLU 75 -5.802 3.104 -2.360 542 2HG GLU 75 1HG GLU 75 -4.831 4.239 -3.297 543 H TRP 76 H TRP 76 -7.358 2.603 -7.392 544 HA TRP 76 HA TRP 76 -9.772 1.146 -6.414 545 1HB TRP 76 2HB TRP 76 -9.814 3.289 -7.963 546 2HB TRP 76 1HB TRP 76 -9.473 2.117 -9.236 547 HD1 TRP 76 HD1 TRP 76 -12.194 3.319 -6.927 548 HE1 TRP 76 HE1 TRP 76 -14.383 2.062 -7.450 549 HE3 TRP 76 HE3 TRP 76 -10.419 -0.258 -10.107 550 HZ2 TRP 76 HZ2 TRP 76 -15.265 -0.168 -9.012 551 HZ3 TRP 76 HZ3 TRP 76 -11.951 -1.935 -11.097 552 HH2 TRP 76 HH2 TRP 76 -14.370 -1.895 -10.555 553 H VAL 77 H VAL 77 -7.032 0.945 -8.639 554 HA VAL 77 HA VAL 77 -7.878 -1.818 -9.369 555 HB VAL 77 HB VAL 77 -6.179 -1.630 -11.167 556 1HG1 VAL 77 1HG1 VAL 77 -8.214 -0.963 -12.031 557 2HG1 VAL 77 2HG1 VAL 77 -7.321 0.546 -12.217 558 3HG1 VAL 77 3HG1 VAL 77 -8.410 0.330 -10.847 559 1HG2 VAL 77 1HG2 VAL 77 -5.875 1.289 -10.571 560 2HG2 VAL 77 2HG2 VAL 77 -4.767 0.195 -11.400 561 3HG2 VAL 77 3HG2 VAL 77 -4.903 0.147 -9.643 562 H LYS 78 H LYS 78 -6.763 -1.205 -6.749 563 HA LYS 78 HA LYS 78 -4.108 -2.567 -6.959 564 1HB LYS 78 2HB LYS 78 -3.981 -0.375 -5.867 565 2HB LYS 78 1HB LYS 78 -5.248 -0.848 -4.734 566 1HG LYS 78 2HG LYS 78 -3.847 -2.559 -3.767 567 2HG LYS 78 1HG LYS 78 -2.621 -2.330 -5.015 568 1HD LYS 78 2HD LYS 78 -2.326 0.027 -4.216 569 2HD LYS 78 1HD LYS 78 -3.435 -0.327 -2.891 570 1HE LYS 78 2HE LYS 78 -0.810 -1.744 -3.443 571 2HE LYS 78 1HE LYS 78 -1.117 -0.599 -2.136 572 1HZ LYS 78 1HZ LYS 78 -2.608 -2.069 -1.113 573 2HZ LYS 78 2HZ LYS 78 -1.280 -3.032 -1.559 574 3HZ LYS 78 3HZ LYS 78 -2.707 -3.070 -2.480 575 H GLY 79 H GLY 79 -4.189 -4.691 -6.426 576 1HA GLY 79 2HA GLY 79 -4.651 -6.574 -5.054 577 2HA GLY 79 1HA GLY 79 -5.705 -5.560 -4.068 578 H LYS 80 H LYS 80 -6.638 -4.899 -7.128 579 HA LYS 80 HA LYS 80 -8.977 -6.672 -6.905 580 1HB LYS 80 2HB LYS 80 -8.231 -4.487 -8.871 581 2HB LYS 80 1HB LYS 80 -9.732 -5.409 -8.957 582 1HG LYS 80 2HG LYS 80 -8.888 -3.932 -6.457 583 2HG LYS 80 1HG LYS 80 -9.862 -3.175 -7.718 584 1HD LYS 80 2HD LYS 80 -11.389 -5.269 -7.479 585 2HD LYS 80 1HD LYS 80 -10.569 -5.495 -5.934 586 1HE LYS 80 2HE LYS 80 -11.145 -3.042 -5.448 587 2HE LYS 80 1HE LYS 80 -12.242 -3.144 -6.826 588 1HZ LYS 80 1HZ LYS 80 -13.700 -4.309 -5.646 589 2HZ LYS 80 2HZ LYS 80 -12.804 -3.891 -4.264 590 3HZ LYS 80 3HZ LYS 80 -12.515 -5.368 -5.053 591 H SER 81 H SER 81 -9.608 -7.208 -9.532 592 HA SER 81 HA SER 81 -7.341 -8.967 -10.381 593 1HB SER 81 2HB SER 81 -10.016 -9.661 -11.381 594 2HB SER 81 1HB SER 81 -8.792 -10.690 -10.644 595 HG SER 81 HG SER 81 -10.741 -10.400 -9.382 596 H LEU 82 H LEU 82 -6.932 -9.118 -12.644 597 HA LEU 82 HA LEU 82 -7.235 -6.728 -14.144 598 1HB LEU 82 2HB LEU 82 -6.304 -9.485 -14.672 599 2HB LEU 82 1HB LEU 82 -6.888 -8.616 -16.091 600 HG LEU 82 HG LEU 82 -4.989 -7.289 -14.167 601 1HD1 LEU 82 1HD1 LEU 82 -3.878 -9.366 -14.770 602 2HD1 LEU 82 2HD1 LEU 82 -3.143 -8.050 -15.686 603 3HD1 LEU 82 3HD1 LEU 82 -4.292 -9.137 -16.469 604 1HD2 LEU 82 1HD2 LEU 82 -6.207 -6.000 -15.952 605 2HD2 LEU 82 2HD2 LEU 82 -5.409 -7.007 -17.159 606 3HD2 LEU 82 3HD2 LEU 82 -4.453 -5.948 -16.121 607 H GLU 83 H GLU 83 -9.419 -9.362 -13.635 608 HA GLU 83 HA GLU 83 -11.006 -9.085 -16.013 609 1HB GLU 83 2HB GLU 83 -11.087 -11.005 -14.348 610 2HB GLU 83 1HB GLU 83 -12.006 -9.938 -13.285 611 1HG GLU 83 2HG GLU 83 -13.634 -11.182 -14.512 612 2HG GLU 83 1HG GLU 83 -13.600 -9.581 -15.252 613 H GLU 84 H GLU 84 -10.836 -7.280 -13.024 614 HA GLU 84 HA GLU 84 -13.353 -5.846 -13.626 615 1HB GLU 84 2HB GLU 84 -11.420 -5.211 -11.394 616 2HB GLU 84 1HB GLU 84 -13.150 -4.879 -11.468 617 1HG GLU 84 2HG GLU 84 -13.360 -7.490 -11.679 618 2HG GLU 84 1HG GLU 84 -11.746 -7.486 -10.965 619 H ALA 85 H ALA 85 -9.854 -5.267 -13.535 620 HA ALA 85 HA ALA 85 -10.030 -2.444 -14.105 621 1HB ALA 85 1HB ALA 85 -8.010 -3.949 -13.272 622 2HB ALA 85 2HB ALA 85 -7.714 -2.489 -14.215 623 3HB ALA 85 3HB ALA 85 -7.677 -4.068 -15.000 624 H GLY 86 H GLY 86 -10.167 -5.325 -16.074 625 1HA GLY 86 2HA GLY 86 -9.783 -3.794 -18.571 626 2HA GLY 86 1HA GLY 86 -10.045 -5.536 -18.457 627 H ALA 87 H ALA 87 -12.008 -2.999 -16.954 628 HA ALA 87 HA ALA 87 -14.160 -3.365 -18.931 629 1HB ALA 87 1HB ALA 87 -15.596 -3.756 -16.615 630 2HB ALA 87 2HB ALA 87 -14.137 -4.696 -16.303 631 3HB ALA 87 3HB ALA 87 -15.118 -5.038 -17.728 632 H ILE 88 H ILE 88 -12.973 -1.897 -15.949 633 HA ILE 88 HA ILE 88 -14.842 0.009 -15.314 634 HB ILE 88 HB ILE 88 -12.726 1.593 -15.096 635 1HG1 ILE 88 2HG1 ILE 88 -11.487 -1.150 -15.490 636 2HG1 ILE 88 1HG1 ILE 88 -11.368 0.176 -16.647 637 1HG2 ILE 88 1HG2 ILE 88 -13.707 -0.725 -13.575 638 2HG2 ILE 88 2HG2 ILE 88 -13.311 0.899 -13.016 639 3HG2 ILE 88 3HG2 ILE 88 -12.034 -0.301 -13.214 640 1HD1 ILE 88 1HD1 ILE 88 -10.119 -0.086 -13.933 641 2HD1 ILE 88 2HD1 ILE 88 -10.492 1.523 -14.553 642 3HD1 ILE 88 3HD1 ILE 88 -9.398 0.465 -15.445 643 H LYS 89 H LYS 89 -14.814 2.420 -15.932 644 HA LYS 89 HA LYS 89 -14.199 2.839 -18.813 645 1HB LYS 89 2HB LYS 89 -16.890 3.402 -17.526 646 2HB LYS 89 1HB LYS 89 -16.434 3.843 -19.172 647 1HG LYS 89 2HG LYS 89 -15.804 1.232 -19.259 648 2HG LYS 89 1HG LYS 89 -17.074 1.165 -18.037 649 1HD LYS 89 2HD LYS 89 -18.453 2.614 -19.683 650 2HD LYS 89 1HD LYS 89 -17.264 2.121 -20.889 651 1HE LYS 89 2HE LYS 89 -19.195 0.591 -20.901 652 2HE LYS 89 1HE LYS 89 -17.734 -0.251 -20.385 653 1HZ LYS 89 1HZ LYS 89 -18.651 -0.693 -18.433 654 2HZ LYS 89 2HZ LYS 89 -20.120 -0.072 -19.017 655 3HZ LYS 89 3HZ LYS 89 -19.046 0.935 -18.169 656 H ASN 90 H ASN 90 -14.245 5.189 -19.370 657 HA ASN 90 HA ASN 90 -13.090 6.756 -17.183 658 1HB ASN 90 2HB ASN 90 -12.649 8.433 -18.880 659 2HB ASN 90 1HB ASN 90 -12.245 6.852 -19.551 660 1HD2 ASN 90 1HD2 ASN 90 -13.819 9.681 -20.338 661 2HD2 ASN 90 2HD2 ASN 90 -14.916 9.078 -21.484 662 H SER 91 H SER 91 -16.157 6.557 -18.870 663 HA SER 91 HA SER 91 -17.202 9.101 -18.039 664 1HB SER 91 2HB SER 91 -18.101 6.986 -19.614 665 2HB SER 91 1HB SER 91 -19.206 6.985 -18.242 666 HG SER 91 HG SER 91 -19.032 8.709 -20.307 667 H GLN 92 H GLN 92 -17.847 5.825 -16.733 668 HA GLN 92 HA GLN 92 -19.301 6.651 -14.458 669 1HB GLN 92 2HB GLN 92 -18.944 4.271 -15.312 670 2HB GLN 92 1HB GLN 92 -17.386 4.309 -14.486 671 1HG GLN 92 2HG GLN 92 -18.980 5.210 -12.493 672 2HG GLN 92 1HG GLN 92 -20.125 4.177 -13.350 673 1HE2 GLN 92 1HE2 GLN 92 -17.709 2.481 -14.288 674 2HE2 GLN 92 2HE2 GLN 92 -17.353 1.510 -12.943 675 H ILE 93 H ILE 93 -15.803 5.880 -14.635 676 HA ILE 93 HA ILE 93 -15.149 6.648 -11.997 677 HB ILE 93 HB ILE 93 -13.594 6.605 -14.576 678 1HG1 ILE 93 2HG1 ILE 93 -13.307 5.119 -11.944 679 2HG1 ILE 93 1HG1 ILE 93 -14.136 4.492 -13.368 680 1HG2 ILE 93 1HG2 ILE 93 -12.699 7.638 -11.876 681 2HG2 ILE 93 2HG2 ILE 93 -12.596 8.458 -13.433 682 3HG2 ILE 93 3HG2 ILE 93 -11.564 7.067 -13.099 683 1HD1 ILE 93 1HD1 ILE 93 -12.186 4.096 -14.498 684 2HD1 ILE 93 2HD1 ILE 93 -11.517 4.025 -12.868 685 3HD1 ILE 93 3HD1 ILE 93 -11.383 5.507 -13.812 686 H ALA 94 H ALA 94 -15.652 8.614 -14.881 687 HA ALA 94 HA ALA 94 -14.555 11.051 -13.824 688 1HB ALA 94 1HB ALA 94 -16.448 11.941 -15.554 689 2HB ALA 94 2HB ALA 94 -16.279 10.275 -16.109 690 3HB ALA 94 3HB ALA 94 -14.872 11.339 -16.069 691 H GLU 95 H GLU 95 -17.844 9.679 -13.788 692 HA GLU 95 HA GLU 95 -19.030 11.954 -12.464 693 1HB GLU 95 2HB GLU 95 -20.104 9.870 -13.737 694 2HB GLU 95 1HB GLU 95 -20.167 9.213 -12.101 695 1HG GLU 95 2HG GLU 95 -22.225 10.348 -12.320 696 2HG GLU 95 1HG GLU 95 -21.209 11.498 -11.450 697 H GLU 96 H GLU 96 -17.169 9.237 -11.371 698 HA GLU 96 HA GLU 96 -18.076 9.319 -8.612 699 1HB GLU 96 2HB GLU 96 -17.049 7.292 -9.554 700 2HB GLU 96 1HB GLU 96 -15.543 8.172 -9.826 701 1HG GLU 96 2HG GLU 96 -15.038 8.286 -7.559 702 2HG GLU 96 1HG GLU 96 -16.727 8.143 -7.071 703 H LEU 97 H LEU 97 -15.388 10.758 -10.427 704 HA LEU 97 HA LEU 97 -14.475 12.132 -7.954 705 1HB LEU 97 2HB LEU 97 -13.089 11.023 -10.094 706 2HB LEU 97 1HB LEU 97 -13.025 12.756 -10.417 707 HG LEU 97 HG LEU 97 -12.360 11.571 -7.713 708 1HD1 LEU 97 1HD1 LEU 97 -10.645 12.032 -10.146 709 2HD1 LEU 97 2HD1 LEU 97 -10.680 10.637 -9.069 710 3HD1 LEU 97 3HD1 LEU 97 -9.952 12.150 -8.529 711 1HD2 LEU 97 1HD2 LEU 97 -11.807 14.247 -9.035 712 2HD2 LEU 97 2HD2 LEU 97 -11.215 13.770 -7.443 713 3HD2 LEU 97 3HD2 LEU 97 -12.948 13.950 -7.722 714 H GLU 98 H GLU 98 -16.382 12.676 -10.746 715 HA GLU 98 HA GLU 98 -17.272 14.641 -11.692 716 1HB GLU 98 2HB GLU 98 -16.976 15.663 -8.853 717 2HB GLU 98 1HB GLU 98 -18.134 16.211 -10.065 718 1HG GLU 98 2HG GLU 98 -18.950 13.757 -10.113 719 2HG GLU 98 1HG GLU 98 -18.063 13.576 -8.599 720 H LEU 99 H LEU 99 -14.972 14.792 -12.695 721 HA LEU 99 HA LEU 99 -13.435 17.082 -11.602 722 1HB LEU 99 2HB LEU 99 -11.725 16.432 -13.278 723 2HB LEU 99 1HB LEU 99 -12.152 15.085 -12.223 724 HG LEU 99 HG LEU 99 -13.774 15.370 -14.695 725 1HD1 LEU 99 1HD1 LEU 99 -12.010 14.205 -16.030 726 2HD1 LEU 99 2HD1 LEU 99 -10.873 14.485 -14.712 727 3HD1 LEU 99 3HD1 LEU 99 -11.558 15.851 -15.591 728 1HD2 LEU 99 1HD2 LEU 99 -13.877 13.021 -14.533 729 2HD2 LEU 99 2HD2 LEU 99 -13.827 13.537 -12.847 730 3HD2 LEU 99 3HD2 LEU 99 -12.368 12.926 -13.626 731 HA PRO 100 HA PRO 100 -14.935 20.254 -14.253 732 1HB PRO 100 2HB PRO 100 -12.102 20.466 -15.197 733 2HB PRO 100 1HB PRO 100 -13.199 21.740 -14.630 734 1HG PRO 100 2HG PRO 100 -11.238 20.718 -13.097 735 2HG PRO 100 1HG PRO 100 -12.763 21.328 -12.435 736 1HD PRO 100 2HD PRO 100 -11.796 18.551 -12.594 737 2HD PRO 100 1HD PRO 100 -13.102 19.234 -11.601 738 HA PRO 101 HA PRO 101 -15.384 17.401 -17.833 739 1HB PRO 101 2HB PRO 101 -17.344 19.560 -18.484 740 2HB PRO 101 1HB PRO 101 -17.553 17.798 -18.517 741 1HG PRO 101 2HG PRO 101 -18.580 19.297 -16.564 742 2HG PRO 101 1HG PRO 101 -17.953 17.667 -16.265 743 1HD PRO 101 2HD PRO 101 -16.762 20.301 -15.539 744 2HD PRO 101 1HD PRO 101 -16.594 18.725 -14.736 745 H VAL 102 H VAL 102 -14.287 20.607 -17.565 746 HA VAL 102 HA VAL 102 -14.050 21.175 -20.416 747 HB VAL 102 HB VAL 102 -12.757 23.121 -19.707 748 1HG1 VAL 102 1HG1 VAL 102 -15.003 22.633 -17.728 749 2HG1 VAL 102 2HG1 VAL 102 -15.257 23.095 -19.411 750 3HG1 VAL 102 3HG1 VAL 102 -14.422 24.194 -18.312 751 1HG2 VAL 102 1HG2 VAL 102 -11.365 22.816 -17.948 752 2HG2 VAL 102 2HG2 VAL 102 -12.270 21.409 -17.388 753 3HG2 VAL 102 3HG2 VAL 102 -12.779 23.031 -16.917 754 H LYS 103 H LYS 103 -12.435 19.102 -18.328 755 HA LYS 103 HA LYS 103 -10.229 18.804 -20.281 756 1HB LYS 103 2HB LYS 103 -9.814 20.233 -17.933 757 2HB LYS 103 1HB LYS 103 -9.248 18.613 -17.529 758 1HG LYS 103 2HG LYS 103 -7.915 18.639 -19.677 759 2HG LYS 103 1HG LYS 103 -8.344 20.341 -19.846 760 1HD LYS 103 2HD LYS 103 -6.354 20.581 -18.704 761 2HD LYS 103 1HD LYS 103 -7.450 20.431 -17.331 762 1HE LYS 103 2HE LYS 103 -5.765 18.870 -16.827 763 2HE LYS 103 1HE LYS 103 -7.021 17.873 -17.562 764 1HZ LYS 103 1HZ LYS 103 -5.487 18.824 -19.646 765 2HZ LYS 103 2HZ LYS 103 -5.516 17.239 -19.036 766 3HZ LYS 103 3HZ LYS 103 -4.375 18.355 -18.454 767 H VAL 104 H VAL 104 -12.366 17.096 -20.008 768 HA VAL 104 HA VAL 104 -11.986 15.000 -18.084 769 HB VAL 104 HB VAL 104 -14.039 15.532 -19.611 770 1HG1 VAL 104 1HG1 VAL 104 -14.128 14.301 -21.684 771 2HG1 VAL 104 2HG1 VAL 104 -12.568 13.544 -21.362 772 3HG1 VAL 104 3HG1 VAL 104 -12.654 15.270 -21.712 773 1HG2 VAL 104 1HG2 VAL 104 -14.668 13.724 -18.410 774 2HG2 VAL 104 2HG2 VAL 104 -13.028 13.078 -18.407 775 3HG2 VAL 104 3HG2 VAL 104 -14.109 12.736 -19.759 776 H HIS 105 H HIS 105 -9.990 15.927 -20.563 777 HA HIS 105 HA HIS 105 -9.235 13.510 -21.832 778 1HB HIS 105 2HB HIS 105 -8.121 16.174 -21.499 779 2HB HIS 105 1HB HIS 105 -6.854 14.949 -21.448 780 HD2 HIS 105 HD2 HIS 105 -7.437 16.925 -24.177 781 HE1 HIS 105 HE1 HIS 105 -8.533 13.241 -25.927 782 HE2 HIS 105 HE2 HIS 105 -7.868 15.641 -26.407 783 H CYS 106 H CYS 106 -8.964 14.414 -18.557 784 HA CYS 106 HA CYS 106 -6.615 12.776 -17.954 785 1HB CYS 106 2HB CYS 106 -8.696 13.798 -16.007 786 2HB CYS 106 1HB CYS 106 -7.027 13.349 -15.659 787 HG CYS 106 HG CYS 106 -6.982 15.917 -15.912 788 H SER 107 H SER 107 -10.105 12.508 -17.164 789 HA SER 107 HA SER 107 -10.066 9.948 -16.025 790 1HB SER 107 2HB SER 107 -12.090 11.397 -16.184 791 2HB SER 107 1HB SER 107 -12.187 11.032 -17.905 792 HG SER 107 HG SER 107 -13.408 9.696 -16.228 793 H ILE 108 H ILE 108 -10.356 10.806 -19.476 794 HA ILE 108 HA ILE 108 -10.501 8.151 -20.484 795 HB ILE 108 HB ILE 108 -9.263 10.621 -21.738 796 1HG1 ILE 108 2HG1 ILE 108 -12.027 9.401 -22.033 797 2HG1 ILE 108 1HG1 ILE 108 -11.658 10.838 -21.079 798 1HG2 ILE 108 1HG2 ILE 108 -9.646 9.433 -23.874 799 2HG2 ILE 108 2HG2 ILE 108 -10.210 8.019 -22.982 800 3HG2 ILE 108 3HG2 ILE 108 -8.530 8.540 -22.841 801 1HD1 ILE 108 1HD1 ILE 108 -12.387 11.696 -23.162 802 2HD1 ILE 108 2HD1 ILE 108 -11.485 10.484 -24.072 803 3HD1 ILE 108 3HD1 ILE 108 -10.629 11.787 -23.247 804 H LEU 109 H LEU 109 -7.670 10.260 -19.917 805 HA LEU 109 HA LEU 109 -5.660 8.506 -20.825 806 1HB LEU 109 2HB LEU 109 -5.807 10.881 -19.191 807 2HB LEU 109 1HB LEU 109 -4.666 9.741 -18.475 808 HG LEU 109 HG LEU 109 -3.543 9.518 -20.683 809 1HD1 LEU 109 1HD1 LEU 109 -5.854 11.196 -21.464 810 2HD1 LEU 109 2HD1 LEU 109 -4.921 10.047 -22.423 811 3HD1 LEU 109 3HD1 LEU 109 -4.307 11.678 -22.160 812 1HD2 LEU 109 1HD2 LEU 109 -3.849 12.279 -19.482 813 2HD2 LEU 109 2HD2 LEU 109 -2.672 11.925 -20.745 814 3HD2 LEU 109 3HD2 LEU 109 -2.565 11.108 -19.186 815 H ALA 110 H ALA 110 -7.538 8.461 -17.856 816 HA ALA 110 HA ALA 110 -5.884 6.485 -16.517 817 1HB ALA 110 1HB ALA 110 -8.422 6.260 -15.420 818 2HB ALA 110 2HB ALA 110 -8.380 7.929 -15.989 819 3HB ALA 110 3HB ALA 110 -7.158 7.353 -14.856 820 H GLU 111 H GLU 111 -9.192 6.223 -17.884 821 HA GLU 111 HA GLU 111 -9.405 3.428 -17.810 822 1HB GLU 111 2HB GLU 111 -11.203 5.076 -18.504 823 2HB GLU 111 1HB GLU 111 -10.422 5.153 -20.084 824 1HG GLU 111 2HG GLU 111 -10.643 2.642 -20.224 825 2HG GLU 111 1HG GLU 111 -11.624 2.709 -18.758 826 H ASP 112 H ASP 112 -8.232 5.403 -20.562 827 HA ASP 112 HA ASP 112 -7.463 3.267 -22.238 828 1HB ASP 112 2HB ASP 112 -7.443 5.840 -22.668 829 2HB ASP 112 1HB ASP 112 -5.803 5.772 -22.022 830 H ALA 113 H ALA 113 -5.645 4.868 -19.630 831 HA ALA 113 HA ALA 113 -3.145 3.664 -19.932 832 1HB ALA 113 1HB ALA 113 -3.738 5.326 -18.158 833 2HB ALA 113 2HB ALA 113 -2.849 3.939 -17.527 834 3HB ALA 113 3HB ALA 113 -4.593 4.047 -17.295 835 H ILE 114 H ILE 114 -5.952 2.321 -18.158 836 HA ILE 114 HA ILE 114 -4.720 -0.144 -17.460 837 HB ILE 114 HB ILE 114 -7.135 0.988 -16.933 838 1HG1 ILE 114 2HG1 ILE 114 -7.687 -1.528 -16.197 839 2HG1 ILE 114 1HG1 ILE 114 -5.986 -1.747 -16.610 840 1HG2 ILE 114 1HG2 ILE 114 -7.746 -1.357 -18.752 841 2HG2 ILE 114 2HG2 ILE 114 -7.936 0.329 -19.231 842 3HG2 ILE 114 3HG2 ILE 114 -8.908 -0.328 -17.916 843 1HD1 ILE 114 1HD1 ILE 114 -5.843 0.564 -15.187 844 2HD1 ILE 114 2HD1 ILE 114 -5.645 -1.033 -14.467 845 3HD1 ILE 114 3HD1 ILE 114 -7.206 -0.216 -14.386 846 H LYS 115 H LYS 115 -6.496 0.825 -20.382 847 HA LYS 115 HA LYS 115 -6.537 -1.769 -21.601 848 1HB LYS 115 2HB LYS 115 -7.866 0.277 -22.324 849 2HB LYS 115 1HB LYS 115 -6.383 0.875 -23.068 850 1HG LYS 115 2HG LYS 115 -6.580 -1.777 -23.938 851 2HG LYS 115 1HG LYS 115 -8.229 -1.158 -24.030 852 1HD LYS 115 2HD LYS 115 -7.534 0.695 -25.410 853 2HD LYS 115 1HD LYS 115 -5.831 0.302 -25.169 854 1HE LYS 115 2HE LYS 115 -5.909 -1.532 -26.587 855 2HE LYS 115 1HE LYS 115 -7.631 -1.798 -26.316 856 1HZ LYS 115 1HZ LYS 115 -7.296 -0.918 -28.506 857 2HZ LYS 115 2HZ LYS 115 -6.406 0.395 -27.899 858 3HZ LYS 115 3HZ LYS 115 -8.066 0.262 -27.561 859 H ALA 116 H ALA 116 -4.239 0.947 -21.898 860 HA ALA 116 HA ALA 116 -2.493 -0.297 -23.771 861 1HB ALA 116 1HB ALA 116 -1.789 1.668 -21.569 862 2HB ALA 116 2HB ALA 116 -2.387 2.108 -23.168 863 3HB ALA 116 3HB ALA 116 -0.816 1.325 -23.000 864 H ALA 117 H ALA 117 -1.971 0.033 -20.237 865 HA ALA 117 HA ALA 117 0.221 -1.660 -19.974 866 1HB ALA 117 1HB ALA 117 -0.151 -1.438 -17.749 867 2HB ALA 117 2HB ALA 117 -1.781 -2.101 -17.870 868 3HB ALA 117 3HB ALA 117 -1.494 -0.396 -18.218 869 H ILE 118 H ILE 118 -3.182 -2.571 -20.332 870 HA ILE 118 HA ILE 118 -2.829 -5.364 -19.769 871 HB ILE 118 HB ILE 118 -4.901 -3.719 -21.182 872 1HG1 ILE 118 2HG1 ILE 118 -5.103 -5.771 -18.958 873 2HG1 ILE 118 1HG1 ILE 118 -4.813 -4.054 -18.677 874 1HG2 ILE 118 1HG2 ILE 118 -4.993 -5.537 -22.648 875 2HG2 ILE 118 2HG2 ILE 118 -6.123 -6.035 -21.390 876 3HG2 ILE 118 3HG2 ILE 118 -4.485 -6.687 -21.412 877 1HD1 ILE 118 1HD1 ILE 118 -7.303 -5.218 -18.860 878 2HD1 ILE 118 2HD1 ILE 118 -7.067 -4.584 -20.488 879 3HD1 ILE 118 3HD1 ILE 118 -6.971 -3.503 -19.098 880 H ALA 119 H ALA 119 -2.586 -3.459 -22.753 881 HA ALA 119 HA ALA 119 -2.226 -5.753 -24.479 882 1HB ALA 119 1HB ALA 119 -2.968 -3.662 -25.443 883 2HB ALA 119 2HB ALA 119 -1.377 -4.028 -26.108 884 3HB ALA 119 3HB ALA 119 -1.542 -2.822 -24.833 885 H ASP 120 H ASP 120 0.027 -3.499 -22.879 886 HA ASP 120 HA ASP 120 2.405 -4.597 -24.042 887 1HB ASP 120 2HB ASP 120 1.780 -2.885 -21.668 888 2HB ASP 120 1HB ASP 120 3.382 -3.616 -21.771 889 H TYR 121 H TYR 121 0.629 -5.380 -21.059 890 HA TYR 121 HA TYR 121 2.570 -7.275 -20.091 891 1HB TYR 121 2HB TYR 121 1.108 -6.593 -18.417 892 2HB TYR 121 1HB TYR 121 -0.300 -6.658 -19.477 893 HD1 TYR 121 HD1 TYR 121 2.380 -9.061 -18.384 894 HD2 TYR 121 HD2 TYR 121 -1.817 -8.332 -18.939 895 HE1 TYR 121 HE1 TYR 121 1.876 -11.353 -17.584 896 HE2 TYR 121 HE2 TYR 121 -2.321 -10.625 -18.138 897 HH TYR 121 HH TYR 121 -1.371 -12.686 -17.751 898 H LYS 122 H LYS 122 -0.302 -7.580 -22.159 899 HA LYS 122 HA LYS 122 -0.109 -10.489 -22.266 900 1HB LYS 122 2HB LYS 122 -2.252 -9.222 -22.591 901 2HB LYS 122 1HB LYS 122 -1.613 -8.624 -24.124 902 1HG LYS 122 2HG LYS 122 -1.323 -10.980 -24.885 903 2HG LYS 122 1HG LYS 122 -2.066 -11.530 -23.383 904 1HD LYS 122 2HD LYS 122 -3.714 -9.497 -24.616 905 2HD LYS 122 1HD LYS 122 -3.390 -10.796 -25.764 906 1HE LYS 122 2HE LYS 122 -4.283 -11.344 -22.930 907 2HE LYS 122 1HE LYS 122 -5.431 -11.112 -24.249 908 1HZ LYS 122 1HZ LYS 122 -4.847 -13.053 -25.226 909 2HZ LYS 122 2HZ LYS 122 -4.463 -13.474 -23.626 910 3HZ LYS 122 3HZ LYS 122 -3.238 -12.984 -24.696 911 H ALA 123 H ALA 123 1.179 -7.803 -24.104 912 HA ALA 123 HA ALA 123 1.844 -9.254 -26.490 913 1HB ALA 123 1HB ALA 123 3.700 -7.368 -26.555 914 2HB ALA 123 2HB ALA 123 2.758 -6.696 -25.226 915 3HB ALA 123 3HB ALA 123 2.003 -6.958 -26.798 916 H LYS 124 H LYS 124 3.693 -8.576 -23.514 917 HA LYS 124 HA LYS 124 6.012 -10.071 -24.457 918 1HB LYS 124 2HB LYS 124 5.491 -8.249 -22.381 919 2HB LYS 124 1HB LYS 124 5.884 -9.766 -21.572 920 1HG LYS 124 2HG LYS 124 7.980 -8.700 -21.904 921 2HG LYS 124 1HG LYS 124 7.885 -9.911 -23.182 922 1HD LYS 124 2HD LYS 124 6.664 -7.752 -24.364 923 2HD LYS 124 1HD LYS 124 7.908 -6.975 -23.384 924 1HE LYS 124 2HE LYS 124 8.922 -7.462 -25.504 925 2HE LYS 124 1HE LYS 124 9.558 -8.646 -24.361 926 1HZ LYS 124 1HZ LYS 124 7.193 -9.165 -26.067 927 2HZ LYS 124 2HZ LYS 124 8.097 -10.289 -25.169 928 3HZ LYS 124 3HZ LYS 124 8.773 -9.556 -26.545 929 H GLN 125 H GLN 125 3.297 -11.417 -24.267 930 HA GLN 125 HA GLN 125 4.252 -13.954 -23.273 931 1HB GLN 125 2HB GLN 125 3.548 -12.461 -21.194 932 2HB GLN 125 1HB GLN 125 1.924 -12.965 -21.668 933 1HG GLN 125 2HG GLN 125 2.869 -15.358 -21.725 934 2HG GLN 125 1HG GLN 125 4.253 -14.705 -20.849 935 1HE2 GLN 125 1HE2 GLN 125 0.784 -13.818 -20.518 936 2HE2 GLN 125 2HE2 GLN 125 0.675 -14.243 -18.879 937 H GLY 126 H GLY 126 3.280 -13.466 -25.722 938 1HA GLY 126 2HA GLY 126 0.670 -14.884 -25.678 939 2HA GLY 126 1HA GLY 126 0.777 -13.382 -26.595 940 H LEU 127 H LEU 127 3.756 -14.913 -26.672 941 HA LEU 127 HA LEU 127 3.124 -16.034 -29.368 942 1HB LEU 127 2HB LEU 127 5.717 -15.019 -28.170 943 2HB LEU 127 1HB LEU 127 5.613 -15.825 -29.736 944 HG LEU 127 HG LEU 127 3.656 -13.657 -29.392 945 1HD1 LEU 127 1HD1 LEU 127 5.259 -11.838 -29.587 946 2HD1 LEU 127 2HD1 LEU 127 6.605 -12.976 -29.581 947 3HD1 LEU 127 3HD1 LEU 127 5.628 -12.759 -28.129 948 1HD2 LEU 127 1HD2 LEU 127 4.161 -13.271 -31.663 949 2HD2 LEU 127 2HD2 LEU 127 4.392 -15.010 -31.491 950 3HD2 LEU 127 3HD2 LEU 127 5.788 -13.934 -31.508 951 H GLU 128 H GLU 128 3.195 -17.183 -26.399 952 HA GLU 128 HA GLU 128 5.114 -19.380 -26.725 953 1HB GLU 128 2HB GLU 128 2.962 -18.972 -24.626 954 2HB GLU 128 1HB GLU 128 4.291 -20.129 -24.542 955 1HG GLU 128 2HG GLU 128 5.135 -17.356 -25.075 956 2HG GLU 128 1HG GLU 128 4.382 -17.593 -23.498 957 H HIS 129 H HIS 129 3.463 -21.457 -25.579 958 HA HIS 129 HA HIS 129 1.585 -21.936 -27.858 959 1HB HIS 129 2HB HIS 129 3.888 -23.420 -27.083 960 2HB HIS 129 1HB HIS 129 2.483 -24.407 -26.688 961 HD2 HIS 129 HD2 HIS 129 1.338 -25.648 -28.894 962 HE1 HIS 129 HE1 HIS 129 3.269 -23.384 -31.892 963 HE2 HIS 129 HE2 HIS 129 1.721 -25.347 -31.458 964 H HIS 130 H HIS 130 0.411 -20.725 -25.819 965 HA HIS 130 HA HIS 130 -0.580 -22.732 -23.883 966 1HB HIS 130 2HB HIS 130 -1.534 -20.903 -22.699 967 2HB HIS 130 1HB HIS 130 0.016 -20.299 -23.288 968 HD2 HIS 130 HD2 HIS 130 -0.272 -18.680 -25.757 969 HE1 HIS 130 HE1 HIS 130 -4.310 -17.750 -24.941 970 HE2 HIS 130 HE2 HIS 130 -2.298 -17.155 -26.368 971 H HIS 131 H HIS 131 -1.242 -22.938 -26.764 972 HA HIS 131 HA HIS 131 -3.958 -22.049 -27.172 973 1HB HIS 131 2HB HIS 131 -2.712 -24.434 -28.541 974 2HB HIS 131 1HB HIS 131 -3.894 -23.294 -29.183 975 HD2 HIS 131 HD2 HIS 131 -0.330 -23.873 -29.813 976 HE1 HIS 131 HE1 HIS 131 -0.590 -19.657 -29.769 977 HE2 HIS 131 HE2 HIS 131 0.863 -21.634 -30.417 978 H HIS 132 H HIS 132 -4.705 -24.871 -28.151 979 HA HIS 132 HA HIS 132 -5.114 -26.289 -25.595 980 1HB HIS 132 2HB HIS 132 -7.532 -25.595 -27.265 981 2HB HIS 132 1HB HIS 132 -7.481 -26.211 -25.614 982 HD2 HIS 132 HD2 HIS 132 -6.600 -24.230 -23.654 983 HE1 HIS 132 HE1 HIS 132 -7.289 -20.947 -26.220 984 HE2 HIS 132 HE2 HIS 132 -6.807 -21.636 -23.828 985 H HIS 133 H HIS 133 -7.359 -27.809 -26.863 986 HA HIS 133 HA HIS 133 -6.275 -28.983 -29.301 987 1HB HIS 133 2HB HIS 133 -5.035 -29.903 -27.083 988 2HB HIS 133 1HB HIS 133 -6.424 -30.990 -27.113 989 HD2 HIS 133 HD2 HIS 133 -6.489 -31.120 -30.533 990 HE1 HIS 133 HE1 HIS 133 -2.715 -32.934 -29.979 991 HE2 HIS 133 HE2 HIS 133 -4.616 -32.575 -31.620 992 H HIS 134 HN HIS 134 -8.307 -29.840 -26.472 993 HA HIS 134 HA HIS 134 -10.501 -30.436 -28.419 994 1HB HIS 134 2HB HIS 134 -11.071 -31.907 -26.123 995 2HB HIS 134 1HB HIS 134 -10.415 -32.553 -27.628 996 HD2 HIS 134 HD2 HIS 134 -9.079 -31.401 -24.086 997 HE1 HIS 134 HE1 HIS 134 -6.011 -33.533 -26.056 998 HE2 HIS 134 HE2 HIS 134 -6.690 -32.429 -23.876 Start of MODEL 9 1 1H MET 1 1H MET 1 49.354 -4.700 -5.633 2 2H MET 1 2H MET 1 50.638 -3.718 -6.157 3 3H MET 1 3H MET 1 50.688 -5.395 -6.415 4 HA MET 1 HA MET 1 49.634 -3.403 -8.086 5 1HB MET 1 2HB MET 1 50.889 -5.239 -8.968 6 2HB MET 1 1HB MET 1 49.844 -6.420 -8.177 7 1HG MET 1 2HG MET 1 48.128 -6.136 -9.709 8 2HG MET 1 1HG MET 1 48.602 -4.481 -10.091 9 1HE MET 1 1HE MET 1 51.247 -7.548 -9.998 10 2HE MET 1 2HE MET 1 50.620 -8.359 -11.430 11 3HE MET 1 3HE MET 1 49.560 -8.078 -10.051 12 H ALA 2 H ALA 2 47.735 -2.619 -6.880 13 HA ALA 2 HA ALA 2 45.541 -4.141 -6.034 14 1HB ALA 2 1HB ALA 2 44.281 -2.151 -6.099 15 2HB ALA 2 2HB ALA 2 45.150 -1.539 -7.506 16 3HB ALA 2 3HB ALA 2 45.938 -1.572 -5.928 17 H TYR 3 H TYR 3 44.296 -5.564 -7.142 18 HA TYR 3 HA TYR 3 44.164 -5.318 -10.106 19 1HB TYR 3 2HB TYR 3 43.551 -7.625 -10.150 20 2HB TYR 3 1HB TYR 3 44.842 -7.503 -8.955 21 HD1 TYR 3 HD1 TYR 3 41.240 -8.030 -9.479 22 HD2 TYR 3 HD2 TYR 3 44.367 -7.670 -6.556 23 HE1 TYR 3 HE1 TYR 3 39.728 -8.959 -7.746 24 HE2 TYR 3 HE2 TYR 3 42.855 -8.598 -4.824 25 HH TYR 3 HH TYR 3 40.779 -10.123 -4.824 26 H SER 4 H SER 4 41.813 -6.454 -10.755 27 HA SER 4 HA SER 4 39.630 -5.392 -9.111 28 1HB SER 4 2HB SER 4 40.628 -3.996 -11.535 29 2HB SER 4 1HB SER 4 38.881 -4.181 -11.413 30 HG SER 4 HG SER 4 40.623 -3.076 -9.456 31 H GLU 5 H GLU 5 39.505 -7.868 -9.364 32 HA GLU 5 HA GLU 5 38.112 -8.565 -11.918 33 1HB GLU 5 2HB GLU 5 39.498 -10.360 -9.900 34 2HB GLU 5 1HB GLU 5 38.668 -10.920 -11.354 35 1HG GLU 5 2HG GLU 5 40.843 -8.846 -11.546 36 2HG GLU 5 1HG GLU 5 41.248 -10.560 -11.462 37 H LYS 6 H LYS 6 37.545 -7.791 -8.727 38 HA LYS 6 HA LYS 6 35.677 -8.046 -7.333 39 1HB LYS 6 2HB LYS 6 34.705 -7.596 -9.831 40 2HB LYS 6 1HB LYS 6 33.993 -9.175 -9.495 41 1HG LYS 6 2HG LYS 6 33.232 -8.229 -7.261 42 2HG LYS 6 1HG LYS 6 33.710 -6.642 -7.865 43 1HD LYS 6 2HD LYS 6 32.211 -7.043 -9.856 44 2HD LYS 6 1HD LYS 6 31.625 -8.495 -9.046 45 1HE LYS 6 2HE LYS 6 30.755 -5.809 -8.659 46 2HE LYS 6 1HE LYS 6 30.204 -7.258 -7.818 47 1HZ LYS 6 1HZ LYS 6 32.477 -6.880 -6.559 48 2HZ LYS 6 2HZ LYS 6 31.041 -6.117 -6.067 49 3HZ LYS 6 3HZ LYS 6 32.179 -5.270 -7.000 50 H VAL 7 H VAL 7 34.765 -9.675 -6.049 51 HA VAL 7 HA VAL 7 34.978 -12.475 -7.037 52 HB VAL 7 HB VAL 7 35.759 -12.154 -4.222 53 1HG1 VAL 7 1HG1 VAL 7 37.512 -13.745 -4.947 54 2HG1 VAL 7 2HG1 VAL 7 37.014 -13.520 -6.624 55 3HG1 VAL 7 3HG1 VAL 7 35.912 -14.271 -5.470 56 1HG2 VAL 7 1HG2 VAL 7 38.067 -11.371 -4.815 57 2HG2 VAL 7 2HG2 VAL 7 36.834 -10.134 -5.057 58 3HG2 VAL 7 3HG2 VAL 7 37.486 -11.012 -6.441 59 H ILE 8 H ILE 8 33.238 -13.699 -6.408 60 HA ILE 8 HA ILE 8 31.148 -12.366 -4.816 61 HB ILE 8 HB ILE 8 30.450 -15.065 -5.457 62 1HG1 ILE 8 2HG1 ILE 8 31.742 -13.512 -7.723 63 2HG1 ILE 8 1HG1 ILE 8 32.307 -15.044 -7.056 64 1HG2 ILE 8 1HG2 ILE 8 28.709 -14.000 -6.723 65 2HG2 ILE 8 2HG2 ILE 8 29.660 -12.527 -6.907 66 3HG2 ILE 8 3HG2 ILE 8 29.016 -12.970 -5.325 67 1HD1 ILE 8 1HD1 ILE 8 30.924 -16.168 -8.426 68 2HD1 ILE 8 2HD1 ILE 8 30.386 -14.639 -9.121 69 3HD1 ILE 8 3HD1 ILE 8 29.537 -15.324 -7.735 70 H ASP 9 H ASP 9 30.641 -12.902 -2.716 71 HA ASP 9 HA ASP 9 32.414 -14.880 -1.389 72 1HB ASP 9 2HB ASP 9 31.583 -13.866 0.711 73 2HB ASP 9 1HB ASP 9 32.249 -12.643 -0.372 74 H HIS 10 H HIS 10 30.416 -15.163 0.815 75 HA HIS 10 HA HIS 10 28.838 -17.328 -0.456 76 1HB HIS 10 2HB HIS 10 29.832 -16.734 2.280 77 2HB HIS 10 1HB HIS 10 28.271 -17.549 2.182 78 HD2 HIS 10 HD2 HIS 10 30.239 -19.680 3.255 79 HE1 HIS 10 HE1 HIS 10 31.185 -20.787 -0.709 80 HE2 HIS 10 HE2 HIS 10 31.313 -21.497 1.722 81 H TYR 11 H TYR 11 28.129 -14.970 2.148 82 HA TYR 11 HA TYR 11 25.357 -15.010 2.010 83 1HB TYR 11 2HB TYR 11 26.863 -13.618 3.558 84 2HB TYR 11 1HB TYR 11 26.885 -12.414 2.267 85 HD1 TYR 11 HD1 TYR 11 25.287 -10.730 2.380 86 HD2 TYR 11 HD2 TYR 11 24.381 -14.588 4.039 87 HE1 TYR 11 HE1 TYR 11 23.076 -9.889 3.127 88 HE2 TYR 11 HE2 TYR 11 22.170 -13.748 4.785 89 HH TYR 11 HH TYR 11 21.146 -11.516 5.349 90 H GLU 12 H GLU 12 24.275 -15.057 0.070 91 HA GLU 12 HA GLU 12 24.628 -12.695 -1.708 92 1HB GLU 12 2HB GLU 12 25.181 -15.510 -2.362 93 2HB GLU 12 1HB GLU 12 24.092 -14.718 -3.502 94 1HG GLU 12 2HG GLU 12 26.571 -13.279 -2.615 95 2HG GLU 12 1HG GLU 12 26.704 -14.542 -3.839 96 H ASN 13 H ASN 13 22.692 -11.925 -2.505 97 HA ASN 13 HA ASN 13 20.326 -13.493 -2.857 98 1HB ASN 13 2HB ASN 13 20.838 -12.920 -0.167 99 2HB ASN 13 1HB ASN 13 19.637 -11.721 -0.645 100 1HD2 ASN 13 1HD2 ASN 13 18.858 -13.727 1.158 101 2HD2 ASN 13 2HD2 ASN 13 17.806 -14.812 0.387 102 HA PRO 14 HA PRO 14 20.761 -9.366 -5.014 103 1HB PRO 14 2HB PRO 14 19.063 -10.979 -6.867 104 2HB PRO 14 1HB PRO 14 20.438 -9.920 -7.231 105 1HG PRO 14 2HG PRO 14 20.659 -12.582 -7.258 106 2HG PRO 14 1HG PRO 14 21.985 -11.531 -6.737 107 1HD PRO 14 2HD PRO 14 20.221 -13.275 -5.095 108 2HD PRO 14 1HD PRO 14 21.881 -12.726 -4.776 109 H ARG 15 H ARG 15 18.098 -9.568 -6.703 110 HA ARG 15 HA ARG 15 16.291 -8.762 -4.458 111 1HB ARG 15 2HB ARG 15 16.048 -7.626 -7.234 112 2HB ARG 15 1HB ARG 15 15.490 -6.944 -5.705 113 1HG ARG 15 2HG ARG 15 18.394 -7.269 -6.521 114 2HG ARG 15 1HG ARG 15 17.489 -5.753 -6.552 115 1HD ARG 15 2HD ARG 15 17.051 -6.751 -3.986 116 2HD ARG 15 1HD ARG 15 18.749 -7.107 -4.294 117 HE ARG 15 HE ARG 15 17.841 -4.584 -3.568 118 1HH1 ARG 15 1HH2 ARG 15 19.413 -5.971 -6.313 119 2HH1 ARG 15 2HH2 ARG 15 20.142 -4.481 -6.807 120 1HH2 ARG 15 2HH1 ARG 15 18.787 -2.644 -4.200 121 2HH2 ARG 15 1HH1 ARG 15 19.789 -2.599 -5.612 122 H ASN 16 H ASN 16 13.895 -8.756 -5.376 123 HA ASN 16 HA ASN 16 13.155 -11.419 -5.930 124 1HB ASN 16 2HB ASN 16 11.822 -8.967 -5.533 125 2HB ASN 16 1HB ASN 16 11.251 -9.568 -7.089 126 1HD2 ASN 16 1HD2 ASN 16 9.861 -9.496 -4.370 127 2HD2 ASN 16 2HD2 ASN 16 9.376 -11.100 -4.099 128 H VAL 17 H VAL 17 13.856 -12.526 -7.700 129 HA VAL 17 HA VAL 17 14.595 -11.313 -10.187 130 HB VAL 17 HB VAL 17 13.719 -14.185 -9.777 131 1HG1 VAL 17 1HG1 VAL 17 15.658 -14.405 -11.521 132 2HG1 VAL 17 2HG1 VAL 17 15.363 -12.690 -11.807 133 3HG1 VAL 17 3HG1 VAL 17 14.073 -13.862 -12.071 134 1HG2 VAL 17 1HG2 VAL 17 15.617 -14.621 -8.612 135 2HG2 VAL 17 2HG2 VAL 17 15.674 -12.884 -8.313 136 3HG2 VAL 17 3HG2 VAL 17 16.592 -13.579 -9.648 137 H GLY 18 H GLY 18 11.869 -13.585 -9.692 138 1HA GLY 18 2HA GLY 18 10.507 -12.783 -12.073 139 2HA GLY 18 1HA GLY 18 9.764 -13.653 -10.729 140 H SER 19 H SER 19 11.104 -10.361 -11.201 141 HA SER 19 HA SER 19 8.711 -8.921 -11.062 142 1HB SER 19 2HB SER 19 9.451 -10.097 -8.501 143 2HB SER 19 1HB SER 19 9.361 -8.341 -8.404 144 HG SER 19 HG SER 19 7.382 -10.227 -8.992 145 H LEU 20 H LEU 20 9.093 -6.601 -10.579 146 HA LEU 20 HA LEU 20 10.453 -4.736 -11.117 147 1HB LEU 20 2HB LEU 20 11.336 -6.033 -8.630 148 2HB LEU 20 1HB LEU 20 12.570 -5.009 -9.365 149 HG LEU 20 HG LEU 20 11.162 -3.709 -7.814 150 1HD1 LEU 20 1HD1 LEU 20 11.845 -3.044 -10.419 151 2HD1 LEU 20 2HD1 LEU 20 11.290 -1.914 -9.184 152 3HD1 LEU 20 3HD1 LEU 20 10.139 -2.608 -10.327 153 1HD2 LEU 20 1HD2 LEU 20 8.812 -3.492 -8.096 154 2HD2 LEU 20 2HD2 LEU 20 9.124 -5.219 -8.274 155 3HD2 LEU 20 3HD2 LEU 20 8.856 -4.219 -9.702 156 H ASP 21 H ASP 21 11.002 -5.966 -13.221 157 HA ASP 21 HA ASP 21 13.920 -5.927 -13.521 158 1HB ASP 21 2HB ASP 21 12.372 -8.446 -13.397 159 2HB ASP 21 1HB ASP 21 13.465 -8.310 -14.775 160 H LYS 22 H LYS 22 11.071 -4.982 -14.587 161 HA LYS 22 HA LYS 22 10.130 -4.479 -16.697 162 1HB LYS 22 2HB LYS 22 12.899 -4.074 -17.742 163 2HB LYS 22 1HB LYS 22 11.494 -3.012 -17.846 164 1HG LYS 22 2HG LYS 22 11.711 -2.480 -15.448 165 2HG LYS 22 1HG LYS 22 13.113 -3.545 -15.337 166 1HD LYS 22 2HD LYS 22 13.431 -1.676 -17.530 167 2HD LYS 22 1HD LYS 22 13.120 -0.814 -16.023 168 1HE LYS 22 2HE LYS 22 15.235 -2.955 -16.408 169 2HE LYS 22 1HE LYS 22 15.542 -1.219 -16.351 170 1HZ LYS 22 1HZ LYS 22 15.686 -2.738 -14.214 171 2HZ LYS 22 2HZ LYS 22 14.026 -2.382 -14.145 172 3HZ LYS 22 3HZ LYS 22 15.169 -1.125 -14.136 173 H LYS 23 H LYS 23 11.408 -7.306 -16.230 174 HA LYS 23 HA LYS 23 11.140 -8.112 -19.084 175 1HB LYS 23 2HB LYS 23 13.486 -8.545 -17.279 176 2HB LYS 23 1HB LYS 23 13.037 -9.851 -18.379 177 1HG LYS 23 2HG LYS 23 13.268 -7.030 -19.401 178 2HG LYS 23 1HG LYS 23 14.713 -8.025 -19.213 179 1HD LYS 23 2HD LYS 23 14.073 -9.516 -20.862 180 2HD LYS 23 1HD LYS 23 12.353 -9.219 -20.609 181 1HE LYS 23 2HE LYS 23 12.409 -7.180 -21.807 182 2HE LYS 23 1HE LYS 23 14.167 -7.073 -21.707 183 1HZ LYS 23 1HZ LYS 23 14.042 -7.916 -23.771 184 2HZ LYS 23 2HZ LYS 23 12.501 -8.591 -23.535 185 3HZ LYS 23 3HZ LYS 23 13.881 -9.399 -22.962 186 H ASP 24 H ASP 24 9.369 -8.287 -16.714 187 HA ASP 24 HA ASP 24 9.187 -11.270 -16.544 188 1HB ASP 24 2HB ASP 24 8.079 -10.908 -14.326 189 2HB ASP 24 1HB ASP 24 9.758 -10.367 -14.356 190 H SER 25 H SER 25 7.157 -12.161 -16.942 191 HA SER 25 HA SER 25 5.251 -10.477 -18.356 192 1HB SER 25 2HB SER 25 5.359 -13.389 -17.598 193 2HB SER 25 1HB SER 25 3.879 -12.691 -18.249 194 HG SER 25 HG SER 25 5.441 -13.601 -19.802 195 H ASN 26 H ASN 26 5.857 -10.548 -15.199 196 HA ASN 26 HA ASN 26 2.987 -10.565 -14.376 197 1HB ASN 26 2HB ASN 26 5.559 -10.881 -12.814 198 2HB ASN 26 1HB ASN 26 4.008 -10.584 -12.028 199 1HD2 ASN 26 1HD2 ASN 26 5.713 -13.080 -11.965 200 2HD2 ASN 26 2HD2 ASN 26 4.701 -14.322 -12.528 201 H VAL 27 H VAL 27 4.943 -8.398 -15.622 202 HA VAL 27 HA VAL 27 3.982 -6.231 -13.804 203 HB VAL 27 HB VAL 27 6.739 -6.594 -14.992 204 1HG1 VAL 27 1HG1 VAL 27 5.446 -4.072 -13.911 205 2HG1 VAL 27 2HG1 VAL 27 6.060 -4.327 -15.546 206 3HG1 VAL 27 3HG1 VAL 27 7.179 -4.260 -14.184 207 1HG2 VAL 27 1HG2 VAL 27 6.085 -5.661 -12.215 208 2HG2 VAL 27 2HG2 VAL 27 7.474 -6.590 -12.780 209 3HG2 VAL 27 3HG2 VAL 27 5.903 -7.372 -12.604 210 H GLY 28 H GLY 28 2.363 -5.452 -15.129 211 1HA GLY 28 2HA GLY 28 2.833 -5.148 -18.018 212 2HA GLY 28 1HA GLY 28 1.335 -4.772 -17.168 213 H THR 29 H THR 29 3.531 -3.286 -18.956 214 HA THR 29 HA THR 29 3.469 -0.793 -17.303 215 HB THR 29 HB THR 29 5.499 -1.169 -19.473 216 HG1 THR 29 HG1 THR 29 5.441 -2.432 -16.960 217 1HG2 THR 29 1HG2 THR 29 5.583 0.146 -16.744 218 2HG2 THR 29 2HG2 THR 29 5.231 0.982 -18.257 219 3HG2 THR 29 3HG2 THR 29 6.820 0.262 -17.996 220 H GLY 30 H GLY 30 2.722 1.063 -18.341 221 1HA GLY 30 2HA GLY 30 2.413 1.175 -21.238 222 2HA GLY 30 1HA GLY 30 0.878 0.957 -20.395 223 H MET 31 H MET 31 2.100 3.317 -21.907 224 HA MET 31 HA MET 31 1.438 5.327 -19.818 225 1HB MET 31 2HB MET 31 3.365 6.636 -20.208 226 2HB MET 31 1HB MET 31 3.986 4.985 -20.135 227 1HG MET 31 2HG MET 31 3.484 5.051 -22.745 228 2HG MET 31 1HG MET 31 3.669 6.788 -22.501 229 1HE MET 31 1HE MET 31 5.252 7.878 -21.444 230 2HE MET 31 2HE MET 31 6.936 7.673 -21.917 231 3HE MET 31 3HE MET 31 6.398 7.109 -20.338 232 H VAL 32 H VAL 32 0.491 7.226 -20.666 233 HA VAL 32 HA VAL 32 0.096 7.313 -23.620 234 HB VAL 32 HB VAL 32 -2.309 8.014 -23.125 235 1HG1 VAL 32 1HG1 VAL 32 -1.606 5.195 -22.265 236 2HG1 VAL 32 2HG1 VAL 32 -1.558 5.732 -23.945 237 3HG1 VAL 32 3HG1 VAL 32 -3.083 5.736 -23.061 238 1HG2 VAL 32 1HG2 VAL 32 -1.685 6.703 -20.460 239 2HG2 VAL 32 2HG2 VAL 32 -3.238 7.365 -20.972 240 3HG2 VAL 32 3HG2 VAL 32 -1.872 8.442 -20.687 241 H GLY 33 H GLY 33 -1.176 9.580 -24.030 242 1HA GLY 33 2HA GLY 33 -0.300 11.670 -22.151 243 2HA GLY 33 1HA GLY 33 0.504 11.691 -23.720 244 H ALA 34 H ALA 34 -1.081 13.841 -22.871 245 HA ALA 34 HA ALA 34 -3.376 13.631 -24.776 246 1HB ALA 34 1HB ALA 34 -4.534 13.754 -22.762 247 2HB ALA 34 2HB ALA 34 -4.366 15.467 -23.150 248 3HB ALA 34 3HB ALA 34 -3.279 14.716 -21.980 249 HA PRO 35 HA PRO 35 -0.466 16.814 -26.404 250 1HB PRO 35 2HB PRO 35 -2.518 16.614 -28.562 251 2HB PRO 35 1HB PRO 35 -0.749 16.615 -28.683 252 1HG PRO 35 2HG PRO 35 -2.188 14.378 -28.959 253 2HG PRO 35 1HG PRO 35 -0.580 14.382 -28.219 254 1HD PRO 35 2HD PRO 35 -3.238 14.050 -26.927 255 2HD PRO 35 1HD PRO 35 -1.646 13.457 -26.405 256 H ALA 36 H ALA 36 -3.966 16.877 -26.027 257 HA ALA 36 HA ALA 36 -4.557 19.526 -26.748 258 1HB ALA 36 1HB ALA 36 -6.176 19.295 -24.634 259 2HB ALA 36 2HB ALA 36 -5.679 17.607 -24.751 260 3HB ALA 36 3HB ALA 36 -6.468 18.391 -26.120 261 H CYS 37 H CYS 37 -2.966 18.308 -23.839 262 HA CYS 37 HA CYS 37 -2.382 21.146 -23.106 263 1HB CYS 37 2HB CYS 37 -3.261 18.868 -21.328 264 2HB CYS 37 1HB CYS 37 -2.390 20.260 -20.685 265 HG CYS 37 HG CYS 37 -4.564 21.431 -20.675 266 H GLY 38 H GLY 38 -1.047 18.461 -24.287 267 1HA GLY 38 2HA GLY 38 1.133 17.593 -24.308 268 2HA GLY 38 1HA GLY 38 1.632 19.166 -23.684 269 H ASP 39 H ASP 39 0.134 16.112 -22.583 270 HA ASP 39 HA ASP 39 1.830 16.285 -20.145 271 1HB ASP 39 2HB ASP 39 -1.130 15.633 -20.053 272 2HB ASP 39 1HB ASP 39 -0.034 15.795 -18.679 273 H VAL 40 H VAL 40 2.741 14.321 -19.697 274 HA VAL 40 HA VAL 40 1.623 11.953 -21.137 275 HB VAL 40 HB VAL 40 4.432 12.155 -20.057 276 1HG1 VAL 40 1HG1 VAL 40 2.955 10.468 -22.074 277 2HG1 VAL 40 2HG1 VAL 40 3.917 9.943 -20.692 278 3HG1 VAL 40 3HG1 VAL 40 4.713 10.602 -22.121 279 1HG2 VAL 40 1HG2 VAL 40 5.104 12.888 -22.345 280 2HG2 VAL 40 2HG2 VAL 40 4.112 14.093 -21.522 281 3HG2 VAL 40 3HG2 VAL 40 3.400 13.063 -22.763 282 H MET 41 H MET 41 0.786 10.365 -19.879 283 HA MET 41 HA MET 41 1.466 10.400 -16.969 284 1HB MET 41 2HB MET 41 -0.921 10.788 -17.448 285 2HB MET 41 1HB MET 41 -0.985 9.288 -18.375 286 1HG MET 41 2HG MET 41 0.165 8.755 -15.791 287 2HG MET 41 1HG MET 41 -1.363 9.609 -15.581 288 1HE MET 41 1HE MET 41 -3.677 8.151 -15.509 289 2HE MET 41 2HE MET 41 -2.329 7.958 -14.392 290 3HE MET 41 3HE MET 41 -3.154 6.534 -15.021 291 H GLN 42 H GLN 42 1.957 8.382 -15.961 292 HA GLN 42 HA GLN 42 2.496 6.144 -17.872 293 1HB GLN 42 2HB GLN 42 4.615 7.160 -17.239 294 2HB GLN 42 1HB GLN 42 4.180 7.083 -15.531 295 1HG GLN 42 2HG GLN 42 4.762 4.900 -15.371 296 2HG GLN 42 1HG GLN 42 3.966 4.493 -16.892 297 1HE2 GLN 42 1HE2 GLN 42 6.823 3.949 -15.747 298 2HE2 GLN 42 2HE2 GLN 42 7.843 4.400 -17.026 299 H LEU 43 H LEU 43 1.371 4.344 -17.332 300 HA LEU 43 HA LEU 43 0.516 4.040 -14.481 301 1HB LEU 43 2HB LEU 43 -1.324 4.347 -16.175 302 2HB LEU 43 1HB LEU 43 -0.803 2.843 -16.934 303 HG LEU 43 HG LEU 43 -1.042 2.368 -14.125 304 1HD1 LEU 43 1HD1 LEU 43 -3.279 2.985 -13.626 305 2HD1 LEU 43 2HD1 LEU 43 -3.625 3.394 -15.306 306 3HD1 LEU 43 3HD1 LEU 43 -2.568 4.430 -14.348 307 1HD2 LEU 43 1HD2 LEU 43 -2.944 0.868 -15.025 308 2HD2 LEU 43 2HD2 LEU 43 -1.324 0.581 -15.661 309 3HD2 LEU 43 3HD2 LEU 43 -2.499 1.481 -16.618 310 H GLN 44 H GLN 44 1.132 2.182 -13.437 311 HA GLN 44 HA GLN 44 2.236 -0.048 -15.082 312 1HB GLN 44 2HB GLN 44 3.573 0.702 -12.501 313 2HB GLN 44 1HB GLN 44 4.243 -0.137 -13.902 314 1HG GLN 44 2HG GLN 44 3.952 2.041 -15.191 315 2HG GLN 44 1HG GLN 44 3.619 2.812 -13.638 316 1HE2 GLN 44 1HE2 GLN 44 5.941 0.144 -14.045 317 2HE2 GLN 44 2HE2 GLN 44 7.319 1.067 -13.686 318 H ILE 45 H ILE 45 1.038 -1.815 -14.562 319 HA ILE 45 HA ILE 45 -0.114 -1.973 -11.815 320 HB ILE 45 HB ILE 45 -1.288 -4.017 -13.186 321 1HG1 ILE 45 2HG1 ILE 45 -1.001 -1.785 -15.211 322 2HG1 ILE 45 1HG1 ILE 45 0.036 -3.211 -15.230 323 1HG2 ILE 45 1HG2 ILE 45 -1.961 -1.146 -12.704 324 2HG2 ILE 45 2HG2 ILE 45 -2.763 -2.602 -12.113 325 3HG2 ILE 45 3HG2 ILE 45 -3.021 -2.064 -13.774 326 1HD1 ILE 45 1HD1 ILE 45 -2.512 -2.978 -16.387 327 2HD1 ILE 45 2HD1 ILE 45 -2.750 -3.971 -14.949 328 3HD1 ILE 45 3HD1 ILE 45 -1.582 -4.460 -16.176 329 H LYS 46 H LYS 46 -0.060 -4.102 -10.745 330 HA LYS 46 HA LYS 46 2.239 -5.792 -11.643 331 1HB LYS 46 2HB LYS 46 3.055 -4.570 -9.754 332 2HB LYS 46 1HB LYS 46 1.550 -4.809 -8.865 333 1HG LYS 46 2HG LYS 46 2.007 -7.079 -8.453 334 2HG LYS 46 1HG LYS 46 3.190 -7.173 -9.757 335 1HD LYS 46 2HD LYS 46 4.863 -6.556 -8.379 336 2HD LYS 46 1HD LYS 46 3.954 -5.153 -7.818 337 1HE LYS 46 2HE LYS 46 2.631 -6.737 -6.338 338 2HE LYS 46 1HE LYS 46 3.803 -7.985 -6.761 339 1HZ LYS 46 1HZ LYS 46 5.265 -7.136 -5.348 340 2HZ LYS 46 2HZ LYS 46 4.042 -6.107 -4.770 341 3HZ LYS 46 3HZ LYS 46 5.097 -5.576 -5.991 342 H VAL 47 H VAL 47 1.890 -8.016 -11.498 343 HA VAL 47 HA VAL 47 -0.725 -8.871 -10.327 344 HB VAL 47 HB VAL 47 0.465 -10.263 -12.710 345 1HG1 VAL 47 1HG1 VAL 47 -2.441 -9.761 -12.103 346 2HG1 VAL 47 2HG1 VAL 47 -1.561 -11.017 -11.234 347 3HG1 VAL 47 3HG1 VAL 47 -1.709 -11.098 -12.989 348 1HG2 VAL 47 1HG2 VAL 47 -1.359 -7.838 -12.814 349 2HG2 VAL 47 2HG2 VAL 47 -0.811 -8.787 -14.195 350 3HG2 VAL 47 3HG2 VAL 47 0.346 -7.836 -13.265 351 H ASP 48 H ASP 48 -0.724 -10.978 -9.381 352 HA ASP 48 HA ASP 48 1.849 -11.783 -8.282 353 1HB ASP 48 2HB ASP 48 0.446 -13.666 -7.286 354 2HB ASP 48 1HB ASP 48 -0.058 -12.033 -6.851 355 H ASP 49 H ASP 49 -0.332 -14.297 -9.330 356 HA ASP 49 HA ASP 49 1.287 -14.979 -11.684 357 1HB ASP 49 2HB ASP 49 1.859 -16.117 -9.091 358 2HB ASP 49 1HB ASP 49 1.291 -17.379 -10.185 359 H ASN 50 H ASN 50 -1.610 -14.575 -10.552 360 HA ASN 50 HA ASN 50 -2.730 -16.931 -12.006 361 1HB ASN 50 2HB ASN 50 -4.086 -15.715 -9.599 362 2HB ASN 50 1HB ASN 50 -4.406 -17.269 -10.366 363 1HD2 ASN 50 1HD2 ASN 50 -3.568 -16.649 -7.508 364 2HD2 ASN 50 2HD2 ASN 50 -2.167 -17.572 -7.260 365 H GLY 51 H GLY 51 -2.528 -13.583 -11.718 366 1HA GLY 51 2HA GLY 51 -3.572 -12.284 -13.564 367 2HA GLY 51 1HA GLY 51 -5.015 -13.275 -13.350 368 H ILE 52 H ILE 52 -3.594 -12.531 -10.373 369 HA ILE 52 HA ILE 52 -5.719 -10.511 -9.870 370 HB ILE 52 HB ILE 52 -3.923 -11.933 -7.882 371 1HG1 ILE 52 2HG1 ILE 52 -5.289 -13.567 -9.083 372 2HG1 ILE 52 1HG1 ILE 52 -5.943 -13.344 -7.460 373 1HG2 ILE 52 1HG2 ILE 52 -4.771 -10.152 -6.685 374 2HG2 ILE 52 2HG2 ILE 52 -6.114 -11.280 -6.498 375 3HG2 ILE 52 3HG2 ILE 52 -6.197 -10.003 -7.712 376 1HD1 ILE 52 1HD1 ILE 52 -7.052 -12.436 -10.090 377 2HD1 ILE 52 2HD1 ILE 52 -7.396 -11.477 -8.651 378 3HD1 ILE 52 3HD1 ILE 52 -7.884 -13.170 -8.719 379 H ILE 53 H ILE 53 -5.209 -8.435 -9.114 380 HA ILE 53 HA ILE 53 -2.430 -7.574 -9.623 381 HB ILE 53 HB ILE 53 -4.990 -6.062 -9.052 382 1HG1 ILE 53 2HG1 ILE 53 -3.295 -5.747 -11.499 383 2HG1 ILE 53 1HG1 ILE 53 -4.278 -7.205 -11.355 384 1HG2 ILE 53 1HG2 ILE 53 -2.145 -5.088 -9.384 385 2HG2 ILE 53 2HG2 ILE 53 -3.258 -4.746 -8.060 386 3HG2 ILE 53 3HG2 ILE 53 -3.541 -4.043 -9.652 387 1HD1 ILE 53 1HD1 ILE 53 -5.575 -5.500 -12.509 388 2HD1 ILE 53 2HD1 ILE 53 -5.266 -4.343 -11.214 389 3HD1 ILE 53 3HD1 ILE 53 -6.272 -5.759 -10.909 390 H GLU 54 H GLU 54 -1.025 -7.657 -7.944 391 HA GLU 54 HA GLU 54 -2.043 -7.602 -5.175 392 1HB GLU 54 2HB GLU 54 0.215 -8.738 -6.502 393 2HB GLU 54 1HB GLU 54 0.822 -7.604 -5.294 394 1HG GLU 54 2HG GLU 54 -0.712 -8.687 -3.614 395 2HG GLU 54 1HG GLU 54 -1.092 -9.907 -4.831 396 H ASP 55 H ASP 55 -0.059 -5.621 -7.347 397 HA ASP 55 HA ASP 55 -0.469 -3.341 -5.486 398 1HB ASP 55 2HB ASP 55 2.133 -4.571 -6.243 399 2HB ASP 55 1HB ASP 55 2.063 -2.808 -6.256 400 H ALA 56 H ALA 56 0.187 -1.239 -6.618 401 HA ALA 56 HA ALA 56 0.137 -1.399 -9.572 402 1HB ALA 56 1HB ALA 56 -2.221 -1.322 -9.128 403 2HB ALA 56 2HB ALA 56 -1.751 0.311 -9.601 404 3HB ALA 56 3HB ALA 56 -2.012 -0.074 -7.899 405 H LYS 57 H LYS 57 2.004 -0.243 -9.899 406 HA LYS 57 HA LYS 57 2.418 2.250 -8.327 407 1HB LYS 57 2HB LYS 57 4.250 0.483 -8.567 408 2HB LYS 57 1HB LYS 57 4.362 0.969 -10.259 409 1HG LYS 57 2HG LYS 57 5.942 2.386 -9.332 410 2HG LYS 57 1HG LYS 57 4.506 3.400 -9.195 411 1HD LYS 57 2HD LYS 57 4.173 2.694 -6.886 412 2HD LYS 57 1HD LYS 57 5.525 1.566 -7.007 413 1HE LYS 57 2HE LYS 57 7.073 3.433 -7.393 414 2HE LYS 57 1HE LYS 57 5.731 4.576 -7.322 415 1HZ LYS 57 1HZ LYS 57 6.723 4.558 -5.198 416 2HZ LYS 57 2HZ LYS 57 6.772 2.861 -5.140 417 3HZ LYS 57 3HZ LYS 57 5.284 3.675 -5.043 418 H PHE 58 H PHE 58 2.506 4.260 -9.335 419 HA PHE 58 HA PHE 58 2.228 4.338 -12.297 420 1HB PHE 58 2HB PHE 58 0.396 5.984 -12.108 421 2HB PHE 58 1HB PHE 58 -0.058 4.449 -11.367 422 HD1 PHE 58 HD1 PHE 58 0.242 7.968 -10.867 423 HD2 PHE 58 HD2 PHE 58 0.410 4.198 -8.815 424 HE1 PHE 58 HE1 PHE 58 -0.157 9.126 -8.709 425 HE2 PHE 58 HE2 PHE 58 0.010 5.356 -6.657 426 HZ PHE 58 HZ PHE 58 -0.273 7.819 -6.605 427 H LYS 59 H LYS 59 2.236 6.870 -12.901 428 HA LYS 59 HA LYS 59 3.783 8.559 -11.107 429 1HB LYS 59 2HB LYS 59 5.339 6.744 -12.365 430 2HB LYS 59 1HB LYS 59 5.297 7.999 -13.604 431 1HG LYS 59 2HG LYS 59 5.880 9.652 -11.734 432 2HG LYS 59 1HG LYS 59 6.253 8.238 -10.747 433 1HD LYS 59 2HD LYS 59 7.927 7.497 -12.342 434 2HD LYS 59 1HD LYS 59 7.485 8.788 -13.462 435 1HE LYS 59 2HE LYS 59 8.786 9.068 -10.743 436 2HE LYS 59 1HE LYS 59 9.450 9.538 -12.307 437 1HZ LYS 59 1HZ LYS 59 7.388 11.031 -12.441 438 2HZ LYS 59 2HZ LYS 59 8.669 11.517 -11.436 439 3HZ LYS 59 3HZ LYS 59 7.280 10.805 -10.764 440 H THR 60 H THR 60 3.098 10.584 -11.587 441 HA THR 60 HA THR 60 2.594 11.277 -14.440 442 HB THR 60 HB THR 60 0.441 12.083 -14.049 443 HG1 THR 60 HG1 THR 60 -0.077 12.152 -11.568 444 1HG2 THR 60 1HG2 THR 60 0.626 9.915 -11.944 445 2HG2 THR 60 2HG2 THR 60 0.607 9.589 -13.676 446 3HG2 THR 60 3HG2 THR 60 -0.784 10.351 -12.909 447 H TYR 61 H TYR 61 3.177 13.398 -14.949 448 HA TYR 61 HA TYR 61 3.694 15.355 -12.825 449 1HB TYR 61 2HB TYR 61 5.758 13.668 -13.287 450 2HB TYR 61 1HB TYR 61 6.080 14.875 -14.532 451 HD1 TYR 61 HD1 TYR 61 6.873 14.036 -11.279 452 HD2 TYR 61 HD2 TYR 61 5.545 17.411 -13.580 453 HE1 TYR 61 HE1 TYR 61 7.793 15.570 -9.562 454 HE2 TYR 61 HE2 TYR 61 6.465 18.945 -11.862 455 HH TYR 61 HH TYR 61 7.420 19.101 -9.862 456 H GLY 62 H GLY 62 3.411 17.398 -13.654 457 1HA GLY 62 2HA GLY 62 4.055 18.854 -15.683 458 2HA GLY 62 1HA GLY 62 3.224 17.618 -16.628 459 H CYS 63 H CYS 63 0.886 17.186 -15.840 460 HA CYS 63 HA CYS 63 -0.430 19.825 -15.567 461 1HB CYS 63 2HB CYS 63 -1.559 18.700 -17.235 462 2HB CYS 63 1HB CYS 63 -1.238 17.117 -16.527 463 HG CYS 63 HG CYS 63 -3.194 17.434 -14.902 464 H GLY 64 H GLY 64 -1.308 20.484 -13.660 465 1HA GLY 64 2HA GLY 64 -1.339 18.550 -11.406 466 2HA GLY 64 1HA GLY 64 -1.435 20.306 -11.252 467 H SER 65 H SER 65 -3.288 17.560 -12.595 468 HA SER 65 HA SER 65 -5.707 18.407 -11.246 469 1HB SER 65 2HB SER 65 -5.186 19.353 -13.984 470 2HB SER 65 1HB SER 65 -6.729 18.522 -13.803 471 HG SER 65 HG SER 65 -6.502 20.047 -11.703 472 H ALA 66 H ALA 66 -3.891 16.307 -13.264 473 HA ALA 66 HA ALA 66 -6.138 14.343 -13.346 474 1HB ALA 66 1HB ALA 66 -4.836 14.987 -15.471 475 2HB ALA 66 2HB ALA 66 -5.009 13.263 -15.139 476 3HB ALA 66 3HB ALA 66 -3.489 14.083 -14.778 477 H ILE 67 H ILE 67 -3.779 15.155 -11.287 478 HA ILE 67 HA ILE 67 -2.538 12.548 -10.837 479 HB ILE 67 HB ILE 67 -2.625 14.922 -8.957 480 1HG1 ILE 67 2HG1 ILE 67 -0.511 14.308 -11.039 481 2HG1 ILE 67 1HG1 ILE 67 -1.823 15.454 -11.316 482 1HG2 ILE 67 1HG2 ILE 67 -0.252 13.831 -8.521 483 2HG2 ILE 67 2HG2 ILE 67 -1.030 12.393 -9.183 484 3HG2 ILE 67 3HG2 ILE 67 -1.692 13.170 -7.746 485 1HD1 ILE 67 1HD1 ILE 67 -1.057 16.541 -9.085 486 2HD1 ILE 67 2HD1 ILE 67 -0.072 16.818 -10.521 487 3HD1 ILE 67 3HD1 ILE 67 0.432 15.626 -9.323 488 H ALA 68 H ALA 68 -4.875 14.551 -9.001 489 HA ALA 68 HA ALA 68 -5.483 12.843 -6.912 490 1HB ALA 68 1HB ALA 68 -7.914 13.897 -8.180 491 2HB ALA 68 2HB ALA 68 -6.650 15.110 -7.974 492 3HB ALA 68 3HB ALA 68 -7.254 14.220 -6.576 493 H SER 69 H SER 69 -6.814 12.660 -10.221 494 HA SER 69 HA SER 69 -8.409 10.311 -9.666 495 1HB SER 69 2HB SER 69 -8.854 11.858 -11.572 496 2HB SER 69 1HB SER 69 -7.358 11.319 -12.328 497 HG SER 69 HG SER 69 -8.320 9.135 -12.081 498 H SER 70 H SER 70 -5.153 10.848 -10.968 499 HA SER 70 HA SER 70 -4.573 8.208 -11.799 500 1HB SER 70 2HB SER 70 -3.072 10.134 -12.210 501 2HB SER 70 1HB SER 70 -2.698 10.204 -10.490 502 HG SER 70 HG SER 70 -2.324 7.720 -11.205 503 H SER 71 H SER 71 -4.380 9.683 -8.572 504 HA SER 71 HA SER 71 -3.273 7.304 -7.328 505 1HB SER 71 2HB SER 71 -4.230 8.558 -5.214 506 2HB SER 71 1HB SER 71 -2.838 9.214 -6.069 507 HG SER 71 HG SER 71 -5.214 9.991 -7.157 508 H LEU 72 H LEU 72 -6.515 8.558 -7.920 509 HA LEU 72 HA LEU 72 -7.886 6.707 -6.183 510 1HB LEU 72 2HB LEU 72 -8.881 8.824 -7.121 511 2HB LEU 72 1HB LEU 72 -8.960 8.026 -8.692 512 HG LEU 72 HG LEU 72 -10.204 6.135 -7.362 513 1HD1 LEU 72 1HD1 LEU 72 -10.403 8.549 -5.553 514 2HD1 LEU 72 2HD1 LEU 72 -9.935 6.903 -5.125 515 3HD1 LEU 72 3HD1 LEU 72 -11.611 7.264 -5.535 516 1HD2 LEU 72 1HD2 LEU 72 -12.360 7.324 -7.762 517 2HD2 LEU 72 2HD2 LEU 72 -11.247 7.484 -9.120 518 3HD2 LEU 72 3HD2 LEU 72 -11.463 8.824 -7.994 519 H ILE 73 H ILE 73 -7.612 6.739 -9.761 520 HA ILE 73 HA ILE 73 -8.696 4.190 -10.229 521 HB ILE 73 HB ILE 73 -8.079 5.827 -12.010 522 1HG1 ILE 73 2HG1 ILE 73 -6.809 3.081 -12.284 523 2HG1 ILE 73 1HG1 ILE 73 -8.508 3.459 -12.572 524 1HG2 ILE 73 1HG2 ILE 73 -5.258 4.794 -11.795 525 2HG2 ILE 73 2HG2 ILE 73 -5.764 6.202 -10.862 526 3HG2 ILE 73 3HG2 ILE 73 -5.848 6.236 -12.622 527 1HD1 ILE 73 1HD1 ILE 73 -7.134 5.333 -14.112 528 2HD1 ILE 73 2HD1 ILE 73 -7.928 3.877 -14.713 529 3HD1 ILE 73 3HD1 ILE 73 -6.208 3.847 -14.324 530 H THR 74 H THR 74 -5.349 5.078 -9.404 531 HA THR 74 HA THR 74 -4.253 2.445 -9.627 532 HB THR 74 HB THR 74 -2.483 3.337 -8.064 533 HG1 THR 74 HG1 THR 74 -4.471 5.134 -7.658 534 1HG2 THR 74 1HG2 THR 74 -3.366 4.725 -10.566 535 2HG2 THR 74 2HG2 THR 74 -1.929 3.744 -10.280 536 3HG2 THR 74 3HG2 THR 74 -2.009 5.393 -9.659 537 H GLU 75 H GLU 75 -6.018 4.084 -7.057 538 HA GLU 75 HA GLU 75 -5.531 1.875 -5.167 539 1HB GLU 75 2HB GLU 75 -5.662 4.191 -4.323 540 2HB GLU 75 1HB GLU 75 -7.309 4.323 -4.941 541 1HG GLU 75 2HG GLU 75 -8.157 2.792 -3.375 542 2HG GLU 75 1HG GLU 75 -6.567 2.098 -3.054 543 H TRP 76 H TRP 76 -7.560 2.390 -7.764 544 HA TRP 76 HA TRP 76 -9.840 0.910 -6.559 545 1HB TRP 76 2HB TRP 76 -9.626 2.928 -8.555 546 2HB TRP 76 1HB TRP 76 -10.202 1.469 -9.360 547 HD1 TRP 76 HD1 TRP 76 -11.001 3.457 -6.132 548 HE1 TRP 76 HE1 TRP 76 -13.548 3.361 -5.744 549 HE3 TRP 76 HE3 TRP 76 -12.376 0.485 -10.050 550 HZ2 TRP 76 HZ2 TRP 76 -15.863 2.178 -6.939 551 HZ3 TRP 76 HZ3 TRP 76 -14.755 -0.110 -10.403 552 HH2 TRP 76 HH2 TRP 76 -16.499 0.732 -8.854 553 H VAL 77 H VAL 77 -7.166 0.533 -8.772 554 HA VAL 77 HA VAL 77 -8.201 -2.084 -9.709 555 HB VAL 77 HB VAL 77 -6.174 -2.074 -11.157 556 1HG1 VAL 77 1HG1 VAL 77 -8.452 -0.452 -11.339 557 2HG1 VAL 77 2HG1 VAL 77 -7.362 -0.881 -12.656 558 3HG1 VAL 77 3HG1 VAL 77 -7.109 0.613 -11.755 559 1HG2 VAL 77 1HG2 VAL 77 -5.122 0.398 -11.134 560 2HG2 VAL 77 2HG2 VAL 77 -4.477 -0.899 -10.128 561 3HG2 VAL 77 3HG2 VAL 77 -5.580 0.290 -9.434 562 H LYS 78 H LYS 78 -7.202 -1.418 -6.891 563 HA LYS 78 HA LYS 78 -4.846 -3.214 -6.726 564 1HB LYS 78 2HB LYS 78 -5.442 -0.918 -5.372 565 2HB LYS 78 1HB LYS 78 -6.014 -2.137 -4.233 566 1HG LYS 78 2HG LYS 78 -3.823 -3.284 -4.374 567 2HG LYS 78 1HG LYS 78 -3.250 -2.029 -5.474 568 1HD LYS 78 2HD LYS 78 -4.064 -0.421 -3.525 569 2HD LYS 78 1HD LYS 78 -3.816 -1.864 -2.539 570 1HE LYS 78 2HE LYS 78 -1.522 -1.980 -3.847 571 2HE LYS 78 1HE LYS 78 -1.812 -0.257 -4.084 572 1HZ LYS 78 1HZ LYS 78 -1.613 0.180 -1.881 573 2HZ LYS 78 2HZ LYS 78 -0.591 -1.175 -1.958 574 3HZ LYS 78 3HZ LYS 78 -2.186 -1.340 -1.396 575 H GLY 79 H GLY 79 -5.196 -5.348 -6.389 576 1HA GLY 79 2HA GLY 79 -6.089 -7.271 -5.327 577 2HA GLY 79 1HA GLY 79 -7.233 -6.233 -4.474 578 H LYS 80 H LYS 80 -7.274 -5.429 -7.718 579 HA LYS 80 HA LYS 80 -9.869 -6.782 -8.069 580 1HB LYS 80 2HB LYS 80 -8.332 -4.737 -9.682 581 2HB LYS 80 1HB LYS 80 -9.814 -5.485 -10.282 582 1HG LYS 80 2HG LYS 80 -9.810 -4.303 -7.528 583 2HG LYS 80 1HG LYS 80 -9.923 -3.222 -8.918 584 1HD LYS 80 2HD LYS 80 -11.897 -4.361 -9.728 585 2HD LYS 80 1HD LYS 80 -11.732 -5.615 -8.498 586 1HE LYS 80 2HE LYS 80 -13.433 -3.723 -8.043 587 2HE LYS 80 1HE LYS 80 -12.311 -4.137 -6.746 588 1HZ LYS 80 1HZ LYS 80 -12.334 -1.787 -6.975 589 2HZ LYS 80 2HZ LYS 80 -12.093 -1.877 -8.655 590 3HZ LYS 80 3HZ LYS 80 -10.850 -2.335 -7.590 591 H SER 81 H SER 81 -9.955 -7.290 -10.764 592 HA SER 81 HA SER 81 -7.788 -9.318 -11.147 593 1HB SER 81 2HB SER 81 -10.479 -9.849 -10.770 594 2HB SER 81 1HB SER 81 -10.320 -9.866 -12.524 595 HG SER 81 HG SER 81 -8.355 -11.214 -12.010 596 H LEU 82 H LEU 82 -7.134 -9.659 -13.359 597 HA LEU 82 HA LEU 82 -6.956 -7.320 -14.949 598 1HB LEU 82 2HB LEU 82 -6.451 -10.231 -15.406 599 2HB LEU 82 1HB LEU 82 -6.517 -9.172 -16.816 600 HG LEU 82 HG LEU 82 -4.827 -8.527 -14.393 601 1HD1 LEU 82 1HD1 LEU 82 -4.431 -10.699 -16.127 602 2HD1 LEU 82 2HD1 LEU 82 -3.233 -9.980 -15.051 603 3HD1 LEU 82 3HD1 LEU 82 -3.351 -9.440 -16.725 604 1HD2 LEU 82 1HD2 LEU 82 -5.012 -6.584 -15.666 605 2HD2 LEU 82 2HD2 LEU 82 -5.174 -7.470 -17.182 606 3HD2 LEU 82 3HD2 LEU 82 -3.596 -7.329 -16.408 607 H GLU 83 H GLU 83 -9.404 -9.828 -14.816 608 HA GLU 83 HA GLU 83 -10.685 -9.320 -17.314 609 1HB GLU 83 2HB GLU 83 -11.122 -11.197 -15.557 610 2HB GLU 83 1HB GLU 83 -12.216 -10.030 -14.816 611 1HG GLU 83 2HG GLU 83 -13.011 -9.800 -17.384 612 2HG GLU 83 1HG GLU 83 -12.459 -11.476 -17.404 613 H GLU 84 H GLU 84 -10.939 -7.741 -14.158 614 HA GLU 84 HA GLU 84 -13.137 -6.010 -14.979 615 1HB GLU 84 2HB GLU 84 -11.227 -5.944 -12.625 616 2HB GLU 84 1HB GLU 84 -12.523 -4.769 -12.853 617 1HG GLU 84 2HG GLU 84 -12.976 -7.764 -12.771 618 2HG GLU 84 1HG GLU 84 -13.143 -6.712 -11.364 619 H ALA 85 H ALA 85 -9.676 -5.404 -14.254 620 HA ALA 85 HA ALA 85 -9.469 -2.751 -15.022 621 1HB ALA 85 1HB ALA 85 -7.649 -4.640 -14.383 622 2HB ALA 85 2HB ALA 85 -7.200 -3.102 -15.121 623 3HB ALA 85 3HB ALA 85 -7.363 -4.546 -16.121 624 H GLY 86 H GLY 86 -9.855 -5.567 -17.098 625 1HA GLY 86 2HA GLY 86 -9.584 -3.895 -19.528 626 2HA GLY 86 1HA GLY 86 -9.779 -5.649 -19.500 627 H ALA 87 H ALA 87 -11.766 -3.254 -17.788 628 HA ALA 87 HA ALA 87 -13.964 -3.502 -19.704 629 1HB ALA 87 1HB ALA 87 -15.222 -4.304 -17.324 630 2HB ALA 87 2HB ALA 87 -13.773 -5.304 -17.429 631 3HB ALA 87 3HB ALA 87 -14.940 -5.302 -18.751 632 H ILE 88 H ILE 88 -12.900 -2.564 -16.453 633 HA ILE 88 HA ILE 88 -14.856 -0.743 -15.703 634 HB ILE 88 HB ILE 88 -12.919 0.601 -14.710 635 1HG1 ILE 88 2HG1 ILE 88 -11.312 -1.695 -15.866 636 2HG1 ILE 88 1HG1 ILE 88 -11.304 -0.054 -16.514 637 1HG2 ILE 88 1HG2 ILE 88 -12.330 -2.159 -13.906 638 2HG2 ILE 88 2HG2 ILE 88 -14.057 -1.805 -13.962 639 3HG2 ILE 88 3HG2 ILE 88 -12.989 -0.830 -12.954 640 1HD1 ILE 88 1HD1 ILE 88 -10.279 -1.026 -13.851 641 2HD1 ILE 88 2HD1 ILE 88 -10.702 0.670 -14.094 642 3HD1 ILE 88 3HD1 ILE 88 -9.438 -0.073 -15.075 643 H LYS 89 H LYS 89 -14.467 1.792 -15.800 644 HA LYS 89 HA LYS 89 -13.420 2.668 -18.417 645 1HB LYS 89 2HB LYS 89 -16.263 3.378 -17.698 646 2HB LYS 89 1HB LYS 89 -15.456 3.523 -19.259 647 1HG LYS 89 2HG LYS 89 -15.320 1.058 -19.412 648 2HG LYS 89 1HG LYS 89 -16.155 0.923 -17.865 649 1HD LYS 89 2HD LYS 89 -18.137 1.986 -18.772 650 2HD LYS 89 1HD LYS 89 -17.305 2.329 -20.289 651 1HE LYS 89 2HE LYS 89 -18.549 0.384 -20.772 652 2HE LYS 89 1HE LYS 89 -16.934 -0.234 -20.426 653 1HZ LYS 89 1HZ LYS 89 -18.824 -1.403 -19.287 654 2HZ LYS 89 2HZ LYS 89 -19.039 0.001 -18.354 655 3HZ LYS 89 3HZ LYS 89 -17.580 -0.865 -18.267 656 H ASN 90 H ASN 90 -14.067 5.204 -18.550 657 HA ASN 90 HA ASN 90 -13.013 6.341 -16.033 658 1HB ASN 90 2HB ASN 90 -12.595 8.336 -17.317 659 2HB ASN 90 1HB ASN 90 -12.099 6.968 -18.314 660 1HD2 ASN 90 1HD2 ASN 90 -13.169 9.736 -19.092 661 2HD2 ASN 90 2HD2 ASN 90 -14.471 9.404 -20.130 662 H SER 91 H SER 91 -16.009 5.943 -17.656 663 HA SER 91 HA SER 91 -17.473 8.226 -16.929 664 1HB SER 91 2HB SER 91 -19.195 7.007 -17.729 665 2HB SER 91 1HB SER 91 -18.062 5.674 -17.933 666 HG SER 91 HG SER 91 -19.542 4.845 -16.596 667 H GLN 92 H GLN 92 -16.814 5.310 -14.977 668 HA GLN 92 HA GLN 92 -18.289 6.141 -12.674 669 1HB GLN 92 2HB GLN 92 -17.052 3.855 -13.309 670 2HB GLN 92 1HB GLN 92 -15.777 4.565 -12.319 671 1HG GLN 92 2HG GLN 92 -18.657 4.130 -11.476 672 2HG GLN 92 1HG GLN 92 -17.256 3.220 -10.908 673 1HE2 GLN 92 1HE2 GLN 92 -15.547 4.545 -9.717 674 2HE2 GLN 92 2HE2 GLN 92 -16.059 5.892 -8.819 675 H ILE 93 H ILE 93 -14.718 6.048 -12.896 676 HA ILE 93 HA ILE 93 -14.074 7.640 -10.743 677 HB ILE 93 HB ILE 93 -12.818 7.697 -13.502 678 1HG1 ILE 93 2HG1 ILE 93 -11.485 6.419 -11.188 679 2HG1 ILE 93 1HG1 ILE 93 -12.969 5.628 -11.722 680 1HG2 ILE 93 1HG2 ILE 93 -10.828 8.610 -12.319 681 2HG2 ILE 93 2HG2 ILE 93 -11.788 8.740 -10.845 682 3HG2 ILE 93 3HG2 ILE 93 -12.201 9.714 -12.256 683 1HD1 ILE 93 1HD1 ILE 93 -10.836 4.826 -12.861 684 2HD1 ILE 93 2HD1 ILE 93 -10.755 6.411 -13.631 685 3HD1 ILE 93 3HD1 ILE 93 -12.125 5.346 -13.947 686 H ALA 94 H ALA 94 -15.188 8.780 -13.920 687 HA ALA 94 HA ALA 94 -14.887 11.581 -13.335 688 1HB ALA 94 1HB ALA 94 -17.049 10.620 -15.169 689 2HB ALA 94 2HB ALA 94 -15.374 10.282 -15.606 690 3HB ALA 94 3HB ALA 94 -15.908 11.948 -15.382 691 H GLU 95 H GLU 95 -17.613 9.315 -13.002 692 HA GLU 95 HA GLU 95 -19.490 11.299 -12.087 693 1HB GLU 95 2HB GLU 95 -19.935 8.888 -12.948 694 2HB GLU 95 1HB GLU 95 -19.591 8.392 -11.289 695 1HG GLU 95 2HG GLU 95 -21.324 10.585 -11.038 696 2HG GLU 95 1HG GLU 95 -21.985 9.634 -12.368 697 H GLU 96 H GLU 96 -16.751 9.929 -10.625 698 HA GLU 96 HA GLU 96 -17.780 10.167 -7.871 699 1HB GLU 96 2HB GLU 96 -16.060 8.420 -8.736 700 2HB GLU 96 1HB GLU 96 -14.893 9.738 -8.624 701 1HG GLU 96 2HG GLU 96 -15.791 10.075 -6.224 702 2HG GLU 96 1HG GLU 96 -16.502 8.470 -6.410 703 H LEU 97 H LEU 97 -15.124 11.653 -9.769 704 HA LEU 97 HA LEU 97 -14.869 13.814 -7.804 705 1HB LEU 97 2HB LEU 97 -13.515 13.118 -10.403 706 2HB LEU 97 1HB LEU 97 -13.298 14.717 -9.691 707 HG LEU 97 HG LEU 97 -12.990 12.440 -7.820 708 1HD1 LEU 97 1HD1 LEU 97 -11.897 11.607 -9.913 709 2HD1 LEU 97 2HD1 LEU 97 -10.751 11.874 -8.598 710 3HD1 LEU 97 3HD1 LEU 97 -10.877 13.046 -9.910 711 1HD2 LEU 97 1HD2 LEU 97 -12.586 15.026 -7.535 712 2HD2 LEU 97 2HD2 LEU 97 -11.043 14.678 -8.314 713 3HD2 LEU 97 3HD2 LEU 97 -11.462 13.885 -6.796 714 H GLU 98 H GLU 98 -16.947 13.175 -10.365 715 HA GLU 98 HA GLU 98 -18.362 14.530 -11.667 716 1HB GLU 98 2HB GLU 98 -18.785 15.099 -9.072 717 2HB GLU 98 1HB GLU 98 -18.233 16.685 -9.614 718 1HG GLU 98 2HG GLU 98 -20.573 16.745 -9.960 719 2HG GLU 98 1HG GLU 98 -19.911 16.393 -11.557 720 H LEU 99 H LEU 99 -15.353 14.975 -11.798 721 HA LEU 99 HA LEU 99 -14.553 17.610 -12.065 722 1HB LEU 99 2HB LEU 99 -13.180 16.808 -14.060 723 2HB LEU 99 1HB LEU 99 -12.981 15.872 -12.578 724 HG LEU 99 HG LEU 99 -15.167 14.690 -13.878 725 1HD1 LEU 99 1HD1 LEU 99 -14.373 16.020 -15.897 726 2HD1 LEU 99 2HD1 LEU 99 -14.458 14.274 -16.130 727 3HD1 LEU 99 3HD1 LEU 99 -12.900 15.052 -15.851 728 1HD2 LEU 99 1HD2 LEU 99 -13.336 12.900 -14.372 729 2HD2 LEU 99 2HD2 LEU 99 -13.658 13.323 -12.690 730 3HD2 LEU 99 3HD2 LEU 99 -12.254 14.000 -13.517 731 HA PRO 100 HA PRO 100 -17.215 19.477 -15.043 732 1HB PRO 100 2HB PRO 100 -15.486 21.329 -16.124 733 2HB PRO 100 1HB PRO 100 -16.279 21.512 -14.547 734 1HG PRO 100 2HG PRO 100 -13.507 20.656 -15.186 735 2HG PRO 100 1HG PRO 100 -14.105 21.650 -13.848 736 1HD PRO 100 2HD PRO 100 -13.433 19.012 -13.555 737 2HD PRO 100 1HD PRO 100 -14.665 19.815 -12.556 738 HA PRO 101 HA PRO 101 -16.366 17.733 -19.028 739 1HB PRO 101 2HB PRO 101 -17.860 19.293 -20.653 740 2HB PRO 101 1HB PRO 101 -18.595 18.219 -19.448 741 1HG PRO 101 2HG PRO 101 -18.153 21.160 -19.341 742 2HG PRO 101 1HG PRO 101 -19.535 20.205 -18.779 743 1HD PRO 101 2HD PRO 101 -17.522 21.155 -17.124 744 2HD PRO 101 1HD PRO 101 -18.560 19.763 -16.744 745 H VAL 102 H VAL 102 -14.639 20.228 -18.121 746 HA VAL 102 HA VAL 102 -13.767 21.010 -20.871 747 HB VAL 102 HB VAL 102 -13.054 22.428 -18.296 748 1HG1 VAL 102 1HG1 VAL 102 -12.441 22.742 -21.121 749 2HG1 VAL 102 2HG1 VAL 102 -11.740 23.568 -19.729 750 3HG1 VAL 102 3HG1 VAL 102 -13.214 24.188 -20.472 751 1HG2 VAL 102 1HG2 VAL 102 -15.629 22.234 -19.518 752 2HG2 VAL 102 2HG2 VAL 102 -15.009 23.853 -19.837 753 3HG2 VAL 102 3HG2 VAL 102 -15.141 23.269 -18.178 754 H LYS 103 H LYS 103 -12.990 18.887 -18.476 755 HA LYS 103 HA LYS 103 -10.152 18.840 -19.368 756 1HB LYS 103 2HB LYS 103 -11.097 18.758 -16.488 757 2HB LYS 103 1HB LYS 103 -9.460 18.349 -17.002 758 1HG LYS 103 2HG LYS 103 -9.269 20.620 -18.036 759 2HG LYS 103 1HG LYS 103 -10.849 21.019 -17.362 760 1HD LYS 103 2HD LYS 103 -8.618 19.997 -15.608 761 2HD LYS 103 1HD LYS 103 -8.764 21.711 -15.995 762 1HE LYS 103 2HE LYS 103 -10.520 21.982 -14.596 763 2HE LYS 103 1HE LYS 103 -11.311 20.519 -15.182 764 1HZ LYS 103 1HZ LYS 103 -9.088 20.636 -13.217 765 2HZ LYS 103 2HZ LYS 103 -9.798 19.211 -13.809 766 3HZ LYS 103 3HZ LYS 103 -10.711 20.291 -12.868 767 H VAL 104 H VAL 104 -12.914 17.245 -19.405 768 HA VAL 104 HA VAL 104 -12.682 14.751 -18.213 769 HB VAL 104 HB VAL 104 -13.453 15.043 -21.122 770 1HG1 VAL 104 1HG1 VAL 104 -13.639 12.792 -20.499 771 2HG1 VAL 104 2HG1 VAL 104 -15.261 13.402 -20.166 772 3HG1 VAL 104 3HG1 VAL 104 -14.112 13.190 -18.846 773 1HG2 VAL 104 1HG2 VAL 104 -14.641 16.838 -20.164 774 2HG2 VAL 104 2HG2 VAL 104 -14.847 15.999 -18.626 775 3HG2 VAL 104 3HG2 VAL 104 -15.783 15.499 -20.035 776 H HIS 105 H HIS 105 -10.440 16.160 -20.322 777 HA HIS 105 HA HIS 105 -9.437 13.914 -21.751 778 1HB HIS 105 2HB HIS 105 -7.888 16.275 -20.638 779 2HB HIS 105 1HB HIS 105 -7.343 15.193 -21.921 780 HD2 HIS 105 HD2 HIS 105 -7.681 18.205 -22.964 781 HE1 HIS 105 HE1 HIS 105 -11.501 17.079 -24.374 782 HE2 HIS 105 HE2 HIS 105 -9.664 18.821 -24.543 783 H CYS 106 H CYS 106 -8.796 15.070 -18.459 784 HA CYS 106 HA CYS 106 -6.641 13.308 -17.848 785 1HB CYS 106 2HB CYS 106 -8.802 14.367 -15.998 786 2HB CYS 106 1HB CYS 106 -7.255 13.688 -15.490 787 HG CYS 106 HG CYS 106 -7.494 16.496 -15.983 788 H SER 107 H SER 107 -10.153 12.912 -17.271 789 HA SER 107 HA SER 107 -9.987 10.271 -16.212 790 1HB SER 107 2HB SER 107 -12.019 12.059 -16.626 791 2HB SER 107 1HB SER 107 -12.361 10.860 -17.871 792 HG SER 107 HG SER 107 -13.108 9.673 -16.319 793 H ILE 108 H ILE 108 -10.731 11.336 -19.552 794 HA ILE 108 HA ILE 108 -10.961 8.862 -20.800 795 HB ILE 108 HB ILE 108 -9.681 11.431 -21.744 796 1HG1 ILE 108 2HG1 ILE 108 -12.227 10.010 -22.581 797 2HG1 ILE 108 1HG1 ILE 108 -12.168 11.273 -21.352 798 1HG2 ILE 108 1HG2 ILE 108 -9.721 8.744 -23.014 799 2HG2 ILE 108 2HG2 ILE 108 -8.595 10.083 -23.246 800 3HG2 ILE 108 3HG2 ILE 108 -10.166 10.102 -24.046 801 1HD1 ILE 108 1HD1 ILE 108 -12.241 11.562 -24.212 802 2HD1 ILE 108 2HD1 ILE 108 -10.741 12.257 -23.599 803 3HD1 ILE 108 3HD1 ILE 108 -12.292 12.821 -22.979 804 H LEU 109 H LEU 109 -8.009 10.507 -19.758 805 HA LEU 109 HA LEU 109 -6.241 8.535 -20.955 806 1HB LEU 109 2HB LEU 109 -5.972 10.962 -19.298 807 2HB LEU 109 1HB LEU 109 -4.742 9.732 -19.002 808 HG LEU 109 HG LEU 109 -4.268 9.635 -21.432 809 1HD1 LEU 109 1HD1 LEU 109 -6.750 10.681 -21.770 810 2HD1 LEU 109 2HD1 LEU 109 -5.490 10.766 -23.001 811 3HD1 LEU 109 3HD1 LEU 109 -5.776 12.141 -21.935 812 1HD2 LEU 109 1HD2 LEU 109 -3.356 12.017 -21.615 813 2HD2 LEU 109 2HD2 LEU 109 -2.866 11.118 -20.180 814 3HD2 LEU 109 3HD2 LEU 109 -4.138 12.334 -20.067 815 H ALA 110 H ALA 110 -7.900 8.879 -17.881 816 HA ALA 110 HA ALA 110 -6.327 7.053 -16.350 817 1HB ALA 110 1HB ALA 110 -7.880 8.225 -15.057 818 2HB ALA 110 2HB ALA 110 -8.663 6.651 -15.200 819 3HB ALA 110 3HB ALA 110 -9.180 7.989 -16.225 820 H GLU 111 H GLU 111 -9.284 6.491 -18.283 821 HA GLU 111 HA GLU 111 -9.254 3.636 -17.932 822 1HB GLU 111 2HB GLU 111 -11.300 4.705 -18.634 823 2HB GLU 111 1HB GLU 111 -10.510 5.409 -20.045 824 1HG GLU 111 2HG GLU 111 -10.113 3.151 -20.957 825 2HG GLU 111 1HG GLU 111 -10.901 2.443 -19.547 826 H ASP 112 H ASP 112 -8.507 5.519 -20.898 827 HA ASP 112 HA ASP 112 -7.361 3.511 -22.425 828 1HB ASP 112 2HB ASP 112 -7.598 6.089 -22.878 829 2HB ASP 112 1HB ASP 112 -5.948 6.160 -22.259 830 H ALA 113 H ALA 113 -5.915 5.204 -19.676 831 HA ALA 113 HA ALA 113 -3.248 4.271 -19.954 832 1HB ALA 113 1HB ALA 113 -3.887 5.968 -18.286 833 2HB ALA 113 2HB ALA 113 -3.069 4.614 -17.507 834 3HB ALA 113 3HB ALA 113 -4.822 4.760 -17.406 835 H ILE 114 H ILE 114 -5.726 2.897 -17.746 836 HA ILE 114 HA ILE 114 -4.413 0.524 -17.110 837 HB ILE 114 HB ILE 114 -6.925 1.498 -16.641 838 1HG1 ILE 114 2HG1 ILE 114 -7.306 -0.805 -15.558 839 2HG1 ILE 114 1HG1 ILE 114 -5.741 -1.252 -16.238 840 1HG2 ILE 114 1HG2 ILE 114 -8.570 -0.032 -17.536 841 2HG2 ILE 114 2HG2 ILE 114 -7.315 -1.004 -18.304 842 3HG2 ILE 114 3HG2 ILE 114 -7.652 0.623 -18.893 843 1HD1 ILE 114 1HD1 ILE 114 -4.919 -0.394 -14.294 844 2HD1 ILE 114 2HD1 ILE 114 -6.369 0.561 -13.990 845 3HD1 ILE 114 3HD1 ILE 114 -5.138 1.157 -15.104 846 H LYS 115 H LYS 115 -5.732 1.510 -20.149 847 HA LYS 115 HA LYS 115 -5.909 -1.136 -21.333 848 1HB LYS 115 2HB LYS 115 -6.935 1.217 -22.068 849 2HB LYS 115 1HB LYS 115 -5.445 1.300 -23.007 850 1HG LYS 115 2HG LYS 115 -5.964 -0.689 -24.205 851 2HG LYS 115 1HG LYS 115 -7.245 -1.128 -23.073 852 1HD LYS 115 2HD LYS 115 -8.368 1.088 -23.777 853 2HD LYS 115 1HD LYS 115 -7.245 1.073 -25.138 854 1HE LYS 115 2HE LYS 115 -8.182 -1.494 -25.201 855 2HE LYS 115 1HE LYS 115 -9.606 -0.627 -24.625 856 1HZ LYS 115 1HZ LYS 115 -8.172 -0.370 -27.169 857 2HZ LYS 115 2HZ LYS 115 -8.942 1.005 -26.532 858 3HZ LYS 115 3HZ LYS 115 -9.841 -0.396 -26.869 859 H ALA 116 H ALA 116 -3.668 1.567 -22.060 860 HA ALA 116 HA ALA 116 -1.788 0.277 -23.590 861 1HB ALA 116 1HB ALA 116 -1.730 2.685 -22.703 862 2HB ALA 116 2HB ALA 116 -0.174 1.869 -22.861 863 3HB ALA 116 3HB ALA 116 -0.932 2.024 -21.276 864 H ALA 117 H ALA 117 -1.774 0.272 -20.005 865 HA ALA 117 HA ALA 117 0.445 -1.455 -19.677 866 1HB ALA 117 1HB ALA 117 -0.821 -2.122 -17.504 867 2HB ALA 117 2HB ALA 117 -2.003 -0.914 -18.006 868 3HB ALA 117 3HB ALA 117 -0.333 -0.439 -17.701 869 H ILE 118 H ILE 118 -3.032 -2.309 -19.801 870 HA ILE 118 HA ILE 118 -2.810 -5.087 -19.585 871 HB ILE 118 HB ILE 118 -4.720 -3.246 -20.951 872 1HG1 ILE 118 2HG1 ILE 118 -5.218 -5.601 -19.119 873 2HG1 ILE 118 1HG1 ILE 118 -4.765 -4.010 -18.506 874 1HG2 ILE 118 1HG2 ILE 118 -6.016 -5.372 -21.643 875 2HG2 ILE 118 2HG2 ILE 118 -4.464 -6.199 -21.522 876 3HG2 ILE 118 3HG2 ILE 118 -4.670 -4.875 -22.669 877 1HD1 ILE 118 1HD1 ILE 118 -7.353 -4.851 -19.089 878 2HD1 ILE 118 2HD1 ILE 118 -6.913 -3.857 -20.479 879 3HD1 ILE 118 3HD1 ILE 118 -6.837 -3.181 -18.852 880 H ALA 119 H ALA 119 -2.411 -3.085 -22.507 881 HA ALA 119 HA ALA 119 -2.071 -5.166 -24.385 882 1HB ALA 119 1HB ALA 119 -1.929 -3.304 -25.647 883 2HB ALA 119 2HB ALA 119 -0.246 -3.173 -25.136 884 3HB ALA 119 3HB ALA 119 -1.506 -2.318 -24.247 885 H ASP 120 H ASP 120 0.621 -3.323 -22.895 886 HA ASP 120 HA ASP 120 2.737 -4.940 -23.651 887 1HB ASP 120 2HB ASP 120 3.075 -2.897 -22.351 888 2HB ASP 120 1HB ASP 120 2.318 -3.639 -20.941 889 H TYR 121 H TYR 121 1.260 -5.306 -20.407 890 HA TYR 121 HA TYR 121 2.292 -7.683 -19.584 891 1HB TYR 121 2HB TYR 121 0.557 -6.543 -18.298 892 2HB TYR 121 1HB TYR 121 -0.651 -6.954 -19.516 893 HD1 TYR 121 HD1 TYR 121 1.418 -8.218 -16.759 894 HD2 TYR 121 HD2 TYR 121 -1.429 -9.270 -19.799 895 HE1 TYR 121 HE1 TYR 121 1.027 -10.396 -15.639 896 HE2 TYR 121 HE2 TYR 121 -1.820 -11.448 -18.679 897 HH TYR 121 HH TYR 121 -1.424 -12.669 -16.852 898 H LYS 122 H LYS 122 -0.295 -7.383 -22.014 899 HA LYS 122 HA LYS 122 -0.578 -10.224 -22.419 900 1HB LYS 122 2HB LYS 122 -2.074 -8.133 -23.169 901 2HB LYS 122 1HB LYS 122 -1.142 -8.327 -24.655 902 1HG LYS 122 2HG LYS 122 -1.746 -10.853 -24.425 903 2HG LYS 122 1HG LYS 122 -3.012 -10.283 -23.336 904 1HD LYS 122 2HD LYS 122 -3.156 -8.566 -25.545 905 2HD LYS 122 1HD LYS 122 -2.903 -10.168 -26.239 906 1HE LYS 122 2HE LYS 122 -4.825 -11.058 -25.124 907 2HE LYS 122 1HE LYS 122 -4.974 -9.629 -24.100 908 1HZ LYS 122 1HZ LYS 122 -6.502 -9.816 -26.113 909 2HZ LYS 122 2HZ LYS 122 -5.133 -9.431 -27.043 910 3HZ LYS 122 3HZ LYS 122 -5.702 -8.340 -25.872 911 H ALA 123 H ALA 123 1.114 -7.701 -24.320 912 HA ALA 123 HA ALA 123 2.298 -9.548 -26.168 913 1HB ALA 123 1HB ALA 123 2.495 -7.434 -27.028 914 2HB ALA 123 2HB ALA 123 4.051 -7.483 -26.199 915 3HB ALA 123 3HB ALA 123 2.670 -6.693 -25.437 916 H LYS 124 H LYS 124 3.392 -8.205 -23.072 917 HA LYS 124 HA LYS 124 6.056 -9.115 -23.075 918 1HB LYS 124 2HB LYS 124 4.113 -8.255 -21.098 919 2HB LYS 124 1HB LYS 124 5.101 -9.573 -20.466 920 1HG LYS 124 2HG LYS 124 7.133 -8.297 -21.303 921 2HG LYS 124 1HG LYS 124 6.054 -6.934 -21.602 922 1HD LYS 124 2HD LYS 124 5.964 -6.404 -19.408 923 2HD LYS 124 1HD LYS 124 5.667 -8.080 -18.944 924 1HE LYS 124 2HE LYS 124 7.982 -8.595 -18.899 925 2HE LYS 124 1HE LYS 124 8.406 -7.133 -19.789 926 1HZ LYS 124 1HZ LYS 124 7.612 -7.428 -16.974 927 2HZ LYS 124 2HZ LYS 124 7.315 -5.961 -17.778 928 3HZ LYS 124 3HZ LYS 124 8.903 -6.550 -17.640 929 H GLN 125 H GLN 125 3.270 -10.965 -23.393 930 HA GLN 125 HA GLN 125 4.804 -13.427 -22.705 931 1HB GLN 125 2HB GLN 125 2.820 -12.547 -21.077 932 2HB GLN 125 1HB GLN 125 1.876 -13.503 -22.219 933 1HG GLN 125 2HG GLN 125 3.324 -15.445 -21.823 934 2HG GLN 125 1HG GLN 125 4.315 -14.494 -20.715 935 1HE2 GLN 125 1HE2 GLN 125 2.129 -16.860 -20.519 936 2HE2 GLN 125 2HE2 GLN 125 1.267 -16.401 -19.131 937 H GLY 126 H GLY 126 4.700 -12.530 -25.278 938 1HA GLY 126 2HA GLY 126 3.061 -14.617 -26.562 939 2HA GLY 126 1HA GLY 126 2.686 -12.959 -27.034 940 H LEU 127 H LEU 127 5.255 -11.844 -27.054 941 HA LEU 127 HA LEU 127 6.208 -12.511 -29.621 942 1HB LEU 127 2HB LEU 127 6.919 -10.695 -27.578 943 2HB LEU 127 1HB LEU 127 8.386 -11.602 -27.946 944 HG LEU 127 HG LEU 127 6.632 -10.153 -29.951 945 1HD1 LEU 127 1HD1 LEU 127 8.264 -8.877 -28.371 946 2HD1 LEU 127 2HD1 LEU 127 8.347 -8.550 -30.102 947 3HD1 LEU 127 3HD1 LEU 127 9.534 -9.614 -29.348 948 1HD2 LEU 127 1HD2 LEU 127 8.898 -10.794 -31.288 949 2HD2 LEU 127 2HD2 LEU 127 7.460 -11.816 -31.298 950 3HD2 LEU 127 3HD2 LEU 127 8.793 -12.179 -30.202 951 H GLU 128 H GLU 128 7.020 -13.892 -26.480 952 HA GLU 128 HA GLU 128 9.316 -15.386 -27.379 953 1HB GLU 128 2HB GLU 128 7.447 -15.634 -25.022 954 2HB GLU 128 1HB GLU 128 8.723 -16.819 -25.306 955 1HG GLU 128 2HG GLU 128 9.310 -13.858 -25.259 956 2HG GLU 128 1HG GLU 128 9.288 -14.816 -23.777 957 H HIS 129 H HIS 129 9.075 -17.972 -27.012 958 HA HIS 129 HA HIS 129 7.211 -18.821 -29.122 959 1HB HIS 129 2HB HIS 129 9.305 -20.306 -27.509 960 2HB HIS 129 1HB HIS 129 8.312 -21.063 -28.754 961 HD2 HIS 129 HD2 HIS 129 10.629 -21.354 -30.448 962 HE1 HIS 129 HE1 HIS 129 11.100 -17.215 -31.141 963 HE2 HIS 129 HE2 HIS 129 11.839 -19.530 -31.867 964 H HIS 130 H HIS 130 6.083 -21.067 -28.603 965 HA HIS 130 HA HIS 130 4.509 -20.608 -26.126 966 1HB HIS 130 2HB HIS 130 2.941 -22.280 -27.132 967 2HB HIS 130 1HB HIS 130 3.206 -20.877 -28.168 968 HD2 HIS 130 HD2 HIS 130 2.970 -22.253 -30.622 969 HE1 HIS 130 HE1 HIS 130 6.127 -24.978 -29.956 970 HE2 HIS 130 HE2 HIS 130 4.477 -24.103 -31.673 971 H HIS 131 H HIS 131 3.696 -23.532 -26.279 972 HA HIS 131 HA HIS 131 5.679 -24.503 -24.387 973 1HB HIS 131 2HB HIS 131 4.185 -26.702 -24.970 974 2HB HIS 131 1HB HIS 131 3.693 -25.470 -23.809 975 HD2 HIS 131 HD2 HIS 131 1.861 -23.475 -24.953 976 HE1 HIS 131 HE1 HIS 131 0.730 -25.967 -28.170 977 HE2 HIS 131 HE2 HIS 131 0.162 -23.848 -26.896 978 H HIS 132 H HIS 132 6.908 -26.517 -24.695 979 HA HIS 132 HA HIS 132 7.841 -26.767 -27.512 980 1HB HIS 132 2HB HIS 132 9.093 -27.657 -24.896 981 2HB HIS 132 1HB HIS 132 9.806 -27.925 -26.488 982 HD2 HIS 132 HD2 HIS 132 8.213 -24.483 -26.496 983 HE1 HIS 132 HE1 HIS 132 12.228 -23.853 -25.346 984 HE2 HIS 132 HE2 HIS 132 10.094 -22.717 -26.115 985 H HIS 133 H HIS 133 7.630 -28.704 -28.613 986 HA HIS 133 HA HIS 133 6.788 -31.113 -27.105 987 1HB HIS 133 2HB HIS 133 4.938 -31.491 -28.790 988 2HB HIS 133 1HB HIS 133 4.659 -30.141 -27.692 989 HD2 HIS 133 HD2 HIS 133 4.402 -27.657 -28.950 990 HE1 HIS 133 HE1 HIS 133 5.462 -28.915 -32.841 991 HE2 HIS 133 HE2 HIS 133 4.588 -26.974 -31.461 992 H HIS 134 HN HIS 134 5.960 -32.027 -30.004 993 HA HIS 134 HA HIS 134 8.358 -32.034 -31.571 994 1HB HIS 134 2HB HIS 134 9.090 -34.361 -31.154 995 2HB HIS 134 1HB HIS 134 9.239 -33.374 -29.699 996 HD2 HIS 134 HD2 HIS 134 6.283 -35.675 -31.111 997 HE1 HIS 134 HE1 HIS 134 6.609 -36.202 -26.933 998 HE2 HIS 134 HE2 HIS 134 5.344 -36.912 -29.014 Start of MODEL 10 1 1H MET 1 1H MET 1 35.029 -16.957 20.769 2 2H MET 1 2H MET 1 36.045 -18.246 20.332 3 3H MET 1 3H MET 1 34.870 -18.459 21.541 4 HA MET 1 HA MET 1 33.293 -18.951 20.077 5 1HB MET 1 2HB MET 1 34.256 -16.368 18.971 6 2HB MET 1 1HB MET 1 33.379 -17.409 17.850 7 1HG MET 1 2HG MET 1 31.401 -17.202 18.988 8 2HG MET 1 1HG MET 1 32.196 -17.111 20.559 9 1HE MET 1 1HE MET 1 31.641 -15.737 17.280 10 2HE MET 1 2HE MET 1 32.821 -14.428 17.293 11 3HE MET 1 3HE MET 1 31.109 -14.065 17.504 12 H ALA 2 H ALA 2 33.323 -20.657 18.665 13 HA ALA 2 HA ALA 2 35.872 -21.167 17.218 14 1HB ALA 2 1HB ALA 2 34.222 -22.820 18.731 15 2HB ALA 2 2HB ALA 2 35.500 -23.358 17.641 16 3HB ALA 2 3HB ALA 2 33.835 -23.261 17.068 17 H TYR 3 H TYR 3 32.746 -19.991 16.655 18 HA TYR 3 HA TYR 3 32.191 -21.071 14.065 19 1HB TYR 3 2HB TYR 3 31.441 -18.377 15.242 20 2HB TYR 3 1HB TYR 3 30.724 -19.087 13.794 21 HD1 TYR 3 HD1 TYR 3 29.389 -21.186 13.953 22 HD2 TYR 3 HD2 TYR 3 30.845 -19.147 17.442 23 HE1 TYR 3 HE1 TYR 3 27.805 -22.470 15.363 24 HE2 TYR 3 HE2 TYR 3 29.261 -20.430 18.853 25 HH TYR 3 HH TYR 3 28.027 -22.556 18.760 26 H SER 4 H SER 4 34.756 -20.818 13.673 27 HA SER 4 HA SER 4 35.601 -18.200 12.729 28 1HB SER 4 2HB SER 4 36.953 -20.704 11.812 29 2HB SER 4 1HB SER 4 37.660 -19.183 12.348 30 HG SER 4 HG SER 4 37.549 -19.838 14.364 31 H GLU 5 H GLU 5 33.649 -20.662 11.431 32 HA GLU 5 HA GLU 5 34.271 -19.881 8.629 33 1HB GLU 5 2HB GLU 5 32.151 -21.884 9.231 34 2HB GLU 5 1HB GLU 5 33.387 -21.899 7.974 35 1HG GLU 5 2HG GLU 5 34.304 -23.509 9.326 36 2HG GLU 5 1HG GLU 5 34.976 -22.098 10.144 37 H LYS 6 H LYS 6 31.480 -20.138 10.849 38 HA LYS 6 HA LYS 6 29.391 -19.064 10.779 39 1HB LYS 6 2HB LYS 6 31.090 -17.156 11.109 40 2HB LYS 6 1HB LYS 6 30.856 -16.815 9.394 41 1HG LYS 6 2HG LYS 6 29.174 -15.483 10.205 42 2HG LYS 6 1HG LYS 6 28.275 -17.000 10.157 43 1HD LYS 6 2HD LYS 6 29.019 -17.419 12.532 44 2HD LYS 6 1HD LYS 6 29.677 -15.783 12.551 45 1HE LYS 6 2HE LYS 6 26.785 -16.474 11.960 46 2HE LYS 6 1HE LYS 6 27.383 -15.878 13.509 47 1HZ LYS 6 1HZ LYS 6 27.832 -13.815 12.648 48 2HZ LYS 6 2HZ LYS 6 26.439 -14.230 11.768 49 3HZ LYS 6 3HZ LYS 6 27.973 -14.375 11.053 50 H VAL 7 H VAL 7 28.800 -20.698 9.061 51 HA VAL 7 HA VAL 7 28.287 -19.296 6.468 52 HB VAL 7 HB VAL 7 28.224 -21.824 5.642 53 1HG1 VAL 7 1HG1 VAL 7 30.764 -20.251 6.179 54 2HG1 VAL 7 2HG1 VAL 7 29.723 -20.093 4.765 55 3HG1 VAL 7 3HG1 VAL 7 30.624 -21.585 5.034 56 1HG2 VAL 7 1HG2 VAL 7 29.794 -23.239 6.812 57 2HG2 VAL 7 2HG2 VAL 7 28.642 -22.637 8.005 58 3HG2 VAL 7 3HG2 VAL 7 30.251 -21.925 7.896 59 H ILE 8 H ILE 8 26.191 -19.495 5.656 60 HA ILE 8 HA ILE 8 24.308 -21.295 7.082 61 HB ILE 8 HB ILE 8 24.405 -18.835 8.020 62 1HG1 ILE 8 2HG1 ILE 8 21.691 -19.890 7.208 63 2HG1 ILE 8 1HG1 ILE 8 22.675 -20.705 8.423 64 1HG2 ILE 8 1HG2 ILE 8 24.195 -17.946 5.617 65 2HG2 ILE 8 2HG2 ILE 8 23.131 -17.224 6.823 66 3HG2 ILE 8 3HG2 ILE 8 22.503 -18.437 5.706 67 1HD1 ILE 8 1HD1 ILE 8 22.489 -18.966 9.944 68 2HD1 ILE 8 2HD1 ILE 8 20.929 -18.838 9.132 69 3HD1 ILE 8 3HD1 ILE 8 22.247 -17.754 8.686 70 H ASP 9 H ASP 9 22.259 -21.545 5.868 71 HA ASP 9 HA ASP 9 22.681 -21.907 3.074 72 1HB ASP 9 2HB ASP 9 20.089 -22.021 3.053 73 2HB ASP 9 1HB ASP 9 20.955 -23.212 4.024 74 H HIS 10 H HIS 10 22.071 -20.638 1.285 75 HA HIS 10 HA HIS 10 22.343 -17.911 1.280 76 1HB HIS 10 2HB HIS 10 21.143 -19.846 -0.499 77 2HB HIS 10 1HB HIS 10 20.191 -18.360 -0.511 78 HD2 HIS 10 HD2 HIS 10 22.435 -19.296 -2.970 79 HE1 HIS 10 HE1 HIS 10 24.372 -15.767 -1.691 80 HE2 HIS 10 HE2 HIS 10 24.209 -17.477 -3.558 81 H TYR 11 H TYR 11 20.853 -16.096 1.393 82 HA TYR 11 HA TYR 11 18.196 -16.653 2.586 83 1HB TYR 11 2HB TYR 11 20.324 -16.100 4.239 84 2HB TYR 11 1HB TYR 11 19.646 -14.494 3.968 85 HD1 TYR 11 HD1 TYR 11 17.032 -14.303 4.165 86 HD2 TYR 11 HD2 TYR 11 19.365 -17.488 5.858 87 HE1 TYR 11 HE1 TYR 11 15.192 -14.811 5.748 88 HE2 TYR 11 HE2 TYR 11 17.524 -17.996 7.440 89 HH TYR 11 HH TYR 11 14.396 -16.393 7.194 90 H GLU 12 H GLU 12 16.808 -15.471 1.379 91 HA GLU 12 HA GLU 12 17.778 -12.880 0.248 92 1HB GLU 12 2HB GLU 12 15.602 -14.790 -0.644 93 2HB GLU 12 1HB GLU 12 15.787 -13.170 -1.314 94 1HG GLU 12 2HG GLU 12 17.309 -14.008 -2.747 95 2HG GLU 12 1HG GLU 12 18.366 -14.299 -1.366 96 H ASN 13 H ASN 13 15.318 -11.681 -0.270 97 HA ASN 13 HA ASN 13 13.594 -11.762 2.067 98 1HB ASN 13 2HB ASN 13 15.877 -10.388 2.548 99 2HB ASN 13 1HB ASN 13 14.897 -9.103 1.841 100 1HD2 ASN 13 1HD2 ASN 13 15.166 -8.348 4.268 101 2HD2 ASN 13 2HD2 ASN 13 13.951 -8.859 5.338 102 HA PRO 14 HA PRO 14 11.664 -10.213 -1.841 103 1HB PRO 14 2HB PRO 14 9.299 -11.401 -0.503 104 2HB PRO 14 1HB PRO 14 9.911 -11.659 -2.146 105 1HG PRO 14 2HG PRO 14 10.139 -13.518 -0.234 106 2HG PRO 14 1HG PRO 14 11.366 -13.298 -1.494 107 1HD PRO 14 2HD PRO 14 11.452 -12.479 1.384 108 2HD PRO 14 1HD PRO 14 12.770 -13.036 0.327 109 H ARG 15 H ARG 15 12.196 -8.167 -0.350 110 HA ARG 15 HA ARG 15 9.737 -7.187 0.998 111 1HB ARG 15 2HB ARG 15 12.347 -6.984 1.738 112 2HB ARG 15 1HB ARG 15 12.137 -5.455 0.883 113 1HG ARG 15 2HG ARG 15 10.214 -4.894 2.272 114 2HG ARG 15 1HG ARG 15 10.300 -6.464 3.074 115 1HD ARG 15 2HD ARG 15 12.875 -5.437 3.340 116 2HD ARG 15 1HD ARG 15 11.840 -4.033 3.590 117 HE ARG 15 HE ARG 15 12.297 -5.936 5.558 118 1HH1 ARG 15 1HH2 ARG 15 9.554 -4.821 3.779 119 2HH1 ARG 15 2HH2 ARG 15 8.420 -5.260 5.010 120 1HH2 ARG 15 2HH1 ARG 15 10.829 -6.503 7.165 121 2HH2 ARG 15 1HH1 ARG 15 9.139 -6.206 6.924 122 H ASN 16 H ASN 16 8.428 -6.681 -0.812 123 HA ASN 16 HA ASN 16 7.637 -5.343 -2.569 124 1HB ASN 16 2HB ASN 16 9.688 -3.408 -1.449 125 2HB ASN 16 1HB ASN 16 8.361 -2.988 -2.533 126 1HD2 ASN 16 1HD2 ASN 16 8.703 -4.870 0.540 127 2HD2 ASN 16 2HD2 ASN 16 7.354 -4.160 1.289 128 H VAL 17 H VAL 17 10.363 -6.930 -2.748 129 HA VAL 17 HA VAL 17 11.289 -5.588 -5.257 130 HB VAL 17 HB VAL 17 12.966 -5.853 -3.372 131 1HG1 VAL 17 1HG1 VAL 17 13.396 -7.881 -2.459 132 2HG1 VAL 17 2HG1 VAL 17 13.419 -8.675 -4.034 133 3HG1 VAL 17 3HG1 VAL 17 11.885 -8.396 -3.208 134 1HG2 VAL 17 1HG2 VAL 17 13.366 -5.885 -5.999 135 2HG2 VAL 17 2HG2 VAL 17 13.865 -7.546 -5.676 136 3HG2 VAL 17 3HG2 VAL 17 14.694 -6.206 -4.884 137 H GLY 18 H GLY 18 12.317 -7.355 -6.794 138 1HA GLY 18 2HA GLY 18 12.117 -9.467 -7.885 139 2HA GLY 18 1HA GLY 18 10.892 -9.935 -6.704 140 H SER 19 H SER 19 10.316 -6.831 -7.923 141 HA SER 19 HA SER 19 8.654 -7.824 -10.173 142 1HB SER 19 2HB SER 19 6.628 -7.119 -9.307 143 2HB SER 19 1HB SER 19 7.428 -7.603 -7.815 144 HG SER 19 HG SER 19 8.123 -5.389 -7.636 145 H LEU 20 H LEU 20 7.307 -5.420 -10.680 146 HA LEU 20 HA LEU 20 7.647 -3.369 -11.763 147 1HB LEU 20 2HB LEU 20 9.309 -3.318 -9.344 148 2HB LEU 20 1HB LEU 20 9.922 -2.268 -10.622 149 HG LEU 20 HG LEU 20 7.491 -1.417 -10.833 150 1HD1 LEU 20 1HD1 LEU 20 7.101 -3.440 -8.917 151 2HD1 LEU 20 2HD1 LEU 20 5.929 -2.222 -9.420 152 3HD1 LEU 20 3HD1 LEU 20 6.966 -1.925 -8.025 153 1HD2 LEU 20 1HD2 LEU 20 9.419 -0.173 -9.806 154 2HD2 LEU 20 2HD2 LEU 20 8.965 -0.853 -8.243 155 3HD2 LEU 20 3HD2 LEU 20 7.860 0.230 -9.088 156 H ASP 21 H ASP 21 9.712 -5.921 -11.989 157 HA ASP 21 HA ASP 21 11.586 -4.522 -13.840 158 1HB ASP 21 2HB ASP 21 11.826 -7.409 -13.019 159 2HB ASP 21 1HB ASP 21 13.097 -6.291 -13.514 160 H LYS 22 H LYS 22 11.803 -5.262 -16.002 161 HA LYS 22 HA LYS 22 9.405 -6.225 -17.245 162 1HB LYS 22 2HB LYS 22 11.726 -6.704 -18.894 163 2HB LYS 22 1HB LYS 22 10.469 -5.480 -19.086 164 1HG LYS 22 2HG LYS 22 11.671 -4.133 -17.292 165 2HG LYS 22 1HG LYS 22 13.003 -5.279 -17.444 166 1HD LYS 22 2HD LYS 22 13.687 -3.705 -18.989 167 2HD LYS 22 1HD LYS 22 12.703 -4.729 -20.036 168 1HE LYS 22 2HE LYS 22 11.606 -2.808 -20.548 169 2HE LYS 22 1HE LYS 22 10.817 -3.026 -18.986 170 1HZ LYS 22 1HZ LYS 22 12.399 -0.915 -19.748 171 2HZ LYS 22 2HZ LYS 22 13.375 -1.820 -18.694 172 3HZ LYS 22 3HZ LYS 22 11.856 -1.259 -18.178 173 H LYS 23 H LYS 23 12.188 -7.836 -15.898 174 HA LYS 23 HA LYS 23 11.955 -10.330 -17.285 175 1HB LYS 23 2HB LYS 23 13.222 -9.391 -14.754 176 2HB LYS 23 1HB LYS 23 12.947 -11.126 -14.917 177 1HG LYS 23 2HG LYS 23 14.169 -9.638 -17.214 178 2HG LYS 23 1HG LYS 23 15.181 -10.044 -15.828 179 1HD LYS 23 2HD LYS 23 14.759 -12.383 -16.082 180 2HD LYS 23 1HD LYS 23 13.455 -12.091 -17.233 181 1HE LYS 23 2HE LYS 23 16.133 -10.989 -17.929 182 2HE LYS 23 1HE LYS 23 15.943 -12.740 -18.022 183 1HZ LYS 23 1HZ LYS 23 13.783 -11.186 -19.171 184 2HZ LYS 23 2HZ LYS 23 14.546 -12.589 -19.752 185 3HZ LYS 23 3HZ LYS 23 15.268 -11.069 -19.984 186 H ASP 24 H ASP 24 9.574 -8.882 -15.675 187 HA ASP 24 HA ASP 24 8.567 -11.407 -14.427 188 1HB ASP 24 2HB ASP 24 8.586 -8.676 -13.525 189 2HB ASP 24 1HB ASP 24 6.914 -9.199 -13.723 190 H SER 25 H SER 25 7.070 -12.437 -15.655 191 HA SER 25 HA SER 25 5.850 -11.170 -17.958 192 1HB SER 25 2HB SER 25 4.767 -13.698 -16.765 193 2HB SER 25 1HB SER 25 4.984 -13.270 -18.459 194 HG SER 25 HG SER 25 7.338 -13.257 -17.808 195 H ASN 26 H ASN 26 5.268 -10.482 -14.888 196 HA ASN 26 HA ASN 26 2.324 -10.188 -15.332 197 1HB ASN 26 2HB ASN 26 3.853 -10.966 -12.853 198 2HB ASN 26 1HB ASN 26 2.265 -10.206 -12.730 199 1HD2 ASN 26 1HD2 ASN 26 3.191 -12.390 -15.383 200 2HD2 ASN 26 2HD2 ASN 26 2.119 -13.636 -14.955 201 H VAL 27 H VAL 27 4.568 -8.342 -15.945 202 HA VAL 27 HA VAL 27 3.705 -6.085 -14.182 203 HB VAL 27 HB VAL 27 6.462 -6.762 -15.221 204 1HG1 VAL 27 1HG1 VAL 27 6.975 -4.464 -14.055 205 2HG1 VAL 27 2HG1 VAL 27 5.280 -4.122 -14.405 206 3HG1 VAL 27 3HG1 VAL 27 6.397 -4.479 -15.722 207 1HG2 VAL 27 1HG2 VAL 27 5.621 -5.890 -12.454 208 2HG2 VAL 27 2HG2 VAL 27 7.080 -6.759 -12.932 209 3HG2 VAL 27 3HG2 VAL 27 5.517 -7.578 -12.955 210 H GLY 28 H GLY 28 2.156 -5.388 -15.730 211 1HA GLY 28 2HA GLY 28 3.071 -4.834 -18.482 212 2HA GLY 28 1HA GLY 28 1.424 -4.636 -17.880 213 H THR 29 H THR 29 3.371 -2.756 -19.307 214 HA THR 29 HA THR 29 3.054 -0.499 -17.374 215 HB THR 29 HB THR 29 5.310 -0.588 -19.367 216 HG1 THR 29 HG1 THR 29 5.707 -2.389 -18.208 217 1HG2 THR 29 1HG2 THR 29 4.398 1.386 -17.747 218 2HG2 THR 29 2HG2 THR 29 6.087 1.231 -18.229 219 3HG2 THR 29 3HG2 THR 29 5.555 0.608 -16.667 220 H GLY 30 H GLY 30 1.491 0.778 -18.246 221 1HA GLY 30 2HA GLY 30 1.366 1.019 -21.216 222 2HA GLY 30 1HA GLY 30 0.031 1.377 -20.118 223 H MET 31 H MET 31 1.783 2.978 -22.176 224 HA MET 31 HA MET 31 2.096 5.348 -20.382 225 1HB MET 31 2HB MET 31 4.305 4.336 -21.067 226 2HB MET 31 1HB MET 31 3.884 4.699 -22.741 227 1HG MET 31 2HG MET 31 3.407 7.064 -21.241 228 2HG MET 31 1HG MET 31 4.990 6.457 -20.755 229 1HE MET 31 1HE MET 31 4.844 9.405 -23.411 230 2HE MET 31 2HE MET 31 6.158 8.957 -22.326 231 3HE MET 31 3HE MET 31 4.499 8.965 -21.733 232 H VAL 32 H VAL 32 0.562 6.787 -21.008 233 HA VAL 32 HA VAL 32 0.144 7.181 -23.941 234 HB VAL 32 HB VAL 32 -2.289 7.737 -23.242 235 1HG1 VAL 32 1HG1 VAL 32 -2.073 5.829 -24.565 236 2HG1 VAL 32 2HG1 VAL 32 -2.743 5.145 -23.084 237 3HG1 VAL 32 3HG1 VAL 32 -1.014 5.024 -23.407 238 1HG2 VAL 32 1HG2 VAL 32 -3.056 6.570 -21.217 239 2HG2 VAL 32 2HG2 VAL 32 -1.818 7.754 -20.803 240 3HG2 VAL 32 3HG2 VAL 32 -1.407 6.041 -20.883 241 H GLY 33 H GLY 33 -1.103 9.383 -24.240 242 1HA GLY 33 2HA GLY 33 -0.329 11.361 -22.168 243 2HA GLY 33 1HA GLY 33 0.335 11.576 -23.788 244 H ALA 34 H ALA 34 -1.068 13.666 -23.173 245 HA ALA 34 HA ALA 34 -3.781 13.223 -24.357 246 1HB ALA 34 1HB ALA 34 -4.730 14.433 -22.698 247 2HB ALA 34 2HB ALA 34 -3.489 15.683 -22.803 248 3HB ALA 34 3HB ALA 34 -3.207 14.239 -21.830 249 HA PRO 35 HA PRO 35 -1.347 15.705 -27.394 250 1HB PRO 35 2HB PRO 35 -3.713 14.897 -29.009 251 2HB PRO 35 1HB PRO 35 -1.988 14.793 -29.403 252 1HG PRO 35 2HG PRO 35 -3.417 12.632 -28.756 253 2HG PRO 35 1HG PRO 35 -1.714 12.807 -28.298 254 1HD PRO 35 2HD PRO 35 -4.155 13.050 -26.594 255 2HD PRO 35 1HD PRO 35 -2.527 12.479 -26.163 256 H ALA 36 H ALA 36 -3.380 16.735 -25.404 257 HA ALA 36 HA ALA 36 -4.796 18.715 -27.132 258 1HB ALA 36 1HB ALA 36 -5.339 18.613 -24.213 259 2HB ALA 36 2HB ALA 36 -5.838 17.201 -25.143 260 3HB ALA 36 3HB ALA 36 -6.461 18.797 -25.561 261 H CYS 37 H CYS 37 -2.730 18.440 -24.244 262 HA CYS 37 HA CYS 37 -1.911 21.277 -24.718 263 1HB CYS 37 2HB CYS 37 -2.817 19.929 -22.213 264 2HB CYS 37 1HB CYS 37 -1.500 21.095 -22.078 265 HG CYS 37 HG CYS 37 -3.043 22.967 -22.814 266 H GLY 38 H GLY 38 -1.015 18.001 -24.014 267 1HA GLY 38 2HA GLY 38 1.280 17.339 -24.718 268 2HA GLY 38 1HA GLY 38 1.853 18.849 -24.008 269 H ASP 39 H ASP 39 -0.324 16.279 -22.800 270 HA ASP 39 HA ASP 39 1.318 16.247 -20.307 271 1HB ASP 39 2HB ASP 39 -1.482 15.161 -20.723 272 2HB ASP 39 1HB ASP 39 -0.644 15.373 -19.185 273 H VAL 40 H VAL 40 2.232 14.319 -19.614 274 HA VAL 40 HA VAL 40 1.761 11.923 -21.343 275 HB VAL 40 HB VAL 40 4.209 11.369 -20.725 276 1HG1 VAL 40 1HG1 VAL 40 3.798 13.800 -22.484 277 2HG1 VAL 40 2HG1 VAL 40 3.322 12.173 -22.972 278 3HG1 VAL 40 3HG1 VAL 40 5.019 12.539 -22.658 279 1HG2 VAL 40 1HG2 VAL 40 4.885 14.201 -20.598 280 2HG2 VAL 40 2HG2 VAL 40 5.412 12.882 -19.553 281 3HG2 VAL 40 3HG2 VAL 40 3.893 13.714 -19.223 282 H MET 41 H MET 41 0.734 10.425 -20.097 283 HA MET 41 HA MET 41 1.466 10.293 -17.201 284 1HB MET 41 2HB MET 41 -0.860 10.796 -17.388 285 2HB MET 41 1HB MET 41 -1.088 9.604 -18.667 286 1HG MET 41 2HG MET 41 -0.733 7.779 -17.140 287 2HG MET 41 1HG MET 41 -0.208 8.877 -15.862 288 1HE MET 41 1HE MET 41 -2.556 7.869 -14.016 289 2HE MET 41 2HE MET 41 -1.783 6.876 -15.249 290 3HE MET 41 3HE MET 41 -3.542 6.973 -15.180 291 H GLN 42 H GLN 42 2.110 8.321 -16.352 292 HA GLN 42 HA GLN 42 2.216 6.013 -18.253 293 1HB GLN 42 2HB GLN 42 4.464 6.964 -18.029 294 2HB GLN 42 1HB GLN 42 4.340 6.896 -16.270 295 1HG GLN 42 2HG GLN 42 4.637 4.618 -16.196 296 2HG GLN 42 1HG GLN 42 3.846 4.360 -17.751 297 1HE2 GLN 42 1HE2 GLN 42 5.245 3.867 -19.444 298 2HE2 GLN 42 2HE2 GLN 42 6.898 4.253 -19.486 299 H LEU 43 H LEU 43 1.290 4.188 -17.417 300 HA LEU 43 HA LEU 43 0.873 4.105 -14.455 301 1HB LEU 43 2HB LEU 43 -1.208 4.449 -15.861 302 2HB LEU 43 1HB LEU 43 -0.923 2.847 -16.543 303 HG LEU 43 HG LEU 43 -0.690 2.387 -13.832 304 1HD1 LEU 43 1HD1 LEU 43 -1.558 4.770 -13.539 305 2HD1 LEU 43 2HD1 LEU 43 -2.472 3.514 -12.704 306 3HD1 LEU 43 3HD1 LEU 43 -3.084 4.197 -14.211 307 1HD2 LEU 43 1HD2 LEU 43 -2.884 1.293 -14.070 308 2HD2 LEU 43 2HD2 LEU 43 -1.902 1.019 -15.510 309 3HD2 LEU 43 3HD2 LEU 43 -3.195 2.218 -15.539 310 H GLN 44 H GLN 44 1.442 2.215 -13.422 311 HA GLN 44 HA GLN 44 2.352 -0.053 -15.147 312 1HB GLN 44 2HB GLN 44 4.154 1.436 -13.934 313 2HB GLN 44 1HB GLN 44 3.653 0.535 -12.502 314 1HG GLN 44 2HG GLN 44 4.273 -1.549 -13.467 315 2HG GLN 44 1HG GLN 44 4.405 -0.850 -15.081 316 1HE2 GLN 44 1HE2 GLN 44 6.679 -1.614 -15.178 317 2HE2 GLN 44 2HE2 GLN 44 7.895 -0.781 -14.337 318 H ILE 45 H ILE 45 1.488 -2.009 -14.562 319 HA ILE 45 HA ILE 45 0.171 -2.177 -11.880 320 HB ILE 45 HB ILE 45 -1.421 -3.810 -13.153 321 1HG1 ILE 45 2HG1 ILE 45 -1.180 -2.161 -15.549 322 2HG1 ILE 45 1HG1 ILE 45 0.291 -3.089 -15.250 323 1HG2 ILE 45 1HG2 ILE 45 -2.756 -2.070 -12.632 324 2HG2 ILE 45 2HG2 ILE 45 -2.347 -1.364 -14.196 325 3HG2 ILE 45 3HG2 ILE 45 -1.412 -0.935 -12.763 326 1HD1 ILE 45 1HD1 ILE 45 -1.078 -5.149 -15.021 327 2HD1 ILE 45 2HD1 ILE 45 -1.259 -4.410 -16.612 328 3HD1 ILE 45 3HD1 ILE 45 -2.523 -4.210 -15.399 329 H LYS 46 H LYS 46 0.379 -4.181 -10.809 330 HA LYS 46 HA LYS 46 2.101 -6.206 -12.181 331 1HB LYS 46 2HB LYS 46 3.366 -4.825 -10.493 332 2HB LYS 46 1HB LYS 46 2.277 -5.447 -9.251 333 1HG LYS 46 2HG LYS 46 3.109 -7.727 -10.634 334 2HG LYS 46 1HG LYS 46 4.566 -6.740 -10.508 335 1HD LYS 46 2HD LYS 46 4.288 -6.554 -8.097 336 2HD LYS 46 1HD LYS 46 2.746 -7.406 -8.176 337 1HE LYS 46 2HE LYS 46 3.736 -9.452 -8.422 338 2HE LYS 46 1HE LYS 46 5.056 -8.809 -9.398 339 1HZ LYS 46 1HZ LYS 46 4.815 -9.010 -6.492 340 2HZ LYS 46 2HZ LYS 46 5.652 -7.669 -7.118 341 3HZ LYS 46 3HZ LYS 46 6.170 -9.245 -7.485 342 H VAL 47 H VAL 47 1.542 -8.361 -11.766 343 HA VAL 47 HA VAL 47 -0.866 -8.763 -10.035 344 HB VAL 47 HB VAL 47 -0.159 -10.182 -12.621 345 1HG1 VAL 47 1HG1 VAL 47 -2.384 -11.247 -12.327 346 2HG1 VAL 47 2HG1 VAL 47 -2.535 -10.462 -10.755 347 3HG1 VAL 47 3HG1 VAL 47 -1.277 -11.669 -11.021 348 1HG2 VAL 47 1HG2 VAL 47 -2.688 -8.984 -12.788 349 2HG2 VAL 47 2HG2 VAL 47 -1.213 -8.425 -13.575 350 3HG2 VAL 47 3HG2 VAL 47 -1.675 -7.772 -12.003 351 H ASP 48 H ASP 48 -0.859 -10.638 -8.739 352 HA ASP 48 HA ASP 48 1.695 -11.625 -7.916 353 1HB ASP 48 2HB ASP 48 -0.128 -13.559 -7.108 354 2HB ASP 48 1HB ASP 48 0.318 -12.120 -6.191 355 H ASP 49 H ASP 49 -0.671 -14.073 -8.728 356 HA ASP 49 HA ASP 49 0.713 -14.921 -11.157 357 1HB ASP 49 2HB ASP 49 1.568 -17.025 -10.303 358 2HB ASP 49 1HB ASP 49 2.226 -15.722 -9.313 359 H ASN 50 H ASN 50 -2.041 -14.402 -9.826 360 HA ASN 50 HA ASN 50 -3.293 -16.908 -10.872 361 1HB ASN 50 2HB ASN 50 -5.158 -16.118 -9.104 362 2HB ASN 50 1HB ASN 50 -3.839 -17.201 -8.657 363 1HD2 ASN 50 1HD2 ASN 50 -4.607 -13.679 -8.794 364 2HD2 ASN 50 2HD2 ASN 50 -3.664 -13.272 -7.443 365 H GLY 51 H GLY 51 -3.242 -13.447 -10.756 366 1HA GLY 51 2HA GLY 51 -4.265 -12.458 -12.877 367 2HA GLY 51 1HA GLY 51 -5.709 -13.377 -12.447 368 H ILE 52 H ILE 52 -4.224 -12.315 -9.641 369 HA ILE 52 HA ILE 52 -6.175 -10.070 -9.444 370 HB ILE 52 HB ILE 52 -4.677 -11.491 -7.224 371 1HG1 ILE 52 2HG1 ILE 52 -6.182 -13.050 -8.359 372 2HG1 ILE 52 1HG1 ILE 52 -6.881 -12.592 -6.805 373 1HG2 ILE 52 1HG2 ILE 52 -6.262 -10.376 -5.758 374 2HG2 ILE 52 2HG2 ILE 52 -7.124 -9.702 -7.142 375 3HG2 ILE 52 3HG2 ILE 52 -5.488 -9.157 -6.772 376 1HD1 ILE 52 1HD1 ILE 52 -8.015 -10.680 -8.243 377 2HD1 ILE 52 2HD1 ILE 52 -8.718 -12.297 -8.193 378 3HD1 ILE 52 3HD1 ILE 52 -7.730 -11.806 -9.568 379 H ILE 53 H ILE 53 -5.429 -8.010 -9.322 380 HA ILE 53 HA ILE 53 -2.584 -7.479 -9.570 381 HB ILE 53 HB ILE 53 -4.675 -5.408 -8.908 382 1HG1 ILE 53 2HG1 ILE 53 -4.137 -6.654 -11.625 383 2HG1 ILE 53 1HG1 ILE 53 -5.597 -6.900 -10.668 384 1HG2 ILE 53 1HG2 ILE 53 -3.218 -3.920 -9.952 385 2HG2 ILE 53 2HG2 ILE 53 -2.478 -5.180 -10.941 386 3HG2 ILE 53 3HG2 ILE 53 -2.079 -5.055 -9.228 387 1HD1 ILE 53 1HD1 ILE 53 -4.688 -4.118 -11.371 388 2HD1 ILE 53 2HD1 ILE 53 -6.303 -4.676 -10.939 389 3HD1 ILE 53 3HD1 ILE 53 -5.627 -5.069 -12.520 390 H GLU 54 H GLU 54 -1.502 -8.108 -7.688 391 HA GLU 54 HA GLU 54 -2.499 -7.523 -5.036 392 1HB GLU 54 2HB GLU 54 -0.662 -9.256 -5.932 393 2HB GLU 54 1HB GLU 54 0.420 -7.932 -5.497 394 1HG GLU 54 2HG GLU 54 -1.615 -9.246 -3.672 395 2HG GLU 54 1HG GLU 54 0.136 -9.430 -3.581 396 H ASP 55 H ASP 55 -0.193 -5.945 -7.226 397 HA ASP 55 HA ASP 55 -0.399 -3.517 -5.516 398 1HB ASP 55 2HB ASP 55 1.781 -4.963 -5.193 399 2HB ASP 55 1HB ASP 55 2.251 -4.242 -6.733 400 H ALA 56 H ALA 56 0.519 -1.574 -6.790 401 HA ALA 56 HA ALA 56 0.694 -1.817 -9.675 402 1HB ALA 56 1HB ALA 56 -1.918 -1.361 -8.425 403 2HB ALA 56 2HB ALA 56 -1.532 -1.807 -10.086 404 3HB ALA 56 3HB ALA 56 -1.487 -0.114 -9.595 405 H LYS 57 H LYS 57 2.163 -0.262 -10.120 406 HA LYS 57 HA LYS 57 2.285 2.142 -8.382 407 1HB LYS 57 2HB LYS 57 4.172 0.896 -10.386 408 2HB LYS 57 1HB LYS 57 4.420 2.537 -9.789 409 1HG LYS 57 2HG LYS 57 3.871 0.502 -7.708 410 2HG LYS 57 1HG LYS 57 5.409 0.326 -8.552 411 1HD LYS 57 2HD LYS 57 6.161 2.459 -7.885 412 2HD LYS 57 1HD LYS 57 4.532 3.006 -7.487 413 1HE LYS 57 2HE LYS 57 5.909 2.487 -5.463 414 2HE LYS 57 1HE LYS 57 4.445 1.511 -5.570 415 1HZ LYS 57 1HZ LYS 57 7.213 0.709 -5.750 416 2HZ LYS 57 2HZ LYS 57 6.209 0.020 -6.934 417 3HZ LYS 57 3HZ LYS 57 5.851 -0.189 -5.286 418 H PHE 58 H PHE 58 3.108 4.146 -9.889 419 HA PHE 58 HA PHE 58 1.857 4.325 -12.494 420 1HB PHE 58 2HB PHE 58 0.036 5.808 -11.972 421 2HB PHE 58 1HB PHE 58 -0.129 4.406 -10.916 422 HD1 PHE 58 HD1 PHE 58 0.150 7.966 -11.056 423 HD2 PHE 58 HD2 PHE 58 0.971 4.564 -8.566 424 HE1 PHE 58 HE1 PHE 58 0.275 9.448 -9.071 425 HE2 PHE 58 HE2 PHE 58 1.096 6.046 -6.582 426 HZ PHE 58 HZ PHE 58 0.748 8.489 -6.834 427 H LYS 59 H LYS 59 1.705 6.883 -13.017 428 HA LYS 59 HA LYS 59 3.531 8.599 -11.591 429 1HB LYS 59 2HB LYS 59 4.998 6.799 -12.817 430 2HB LYS 59 1HB LYS 59 4.629 7.752 -14.256 431 1HG LYS 59 2HG LYS 59 5.300 9.713 -12.461 432 2HG LYS 59 1HG LYS 59 6.374 8.403 -11.970 433 1HD LYS 59 2HD LYS 59 7.234 8.194 -14.238 434 2HD LYS 59 1HD LYS 59 6.085 9.400 -14.818 435 1HE LYS 59 2HE LYS 59 8.304 9.876 -12.806 436 2HE LYS 59 1HE LYS 59 8.278 10.438 -14.478 437 1HZ LYS 59 1HZ LYS 59 5.900 11.189 -13.137 438 2HZ LYS 59 2HZ LYS 59 7.059 12.173 -13.896 439 3HZ LYS 59 3HZ LYS 59 7.251 11.731 -12.267 440 H THR 60 H THR 60 2.470 10.481 -11.960 441 HA THR 60 HA THR 60 1.563 11.041 -14.757 442 HB THR 60 HB THR 60 -0.280 12.314 -13.847 443 HG1 THR 60 HG1 THR 60 -0.473 12.316 -11.486 444 1HG2 THR 60 1HG2 THR 60 -1.380 10.367 -13.637 445 2HG2 THR 60 2HG2 THR 60 -0.818 10.253 -11.969 446 3HG2 THR 60 3HG2 THR 60 0.128 9.529 -13.270 447 H TYR 61 H TYR 61 2.408 12.877 -15.666 448 HA TYR 61 HA TYR 61 3.551 14.953 -13.868 449 1HB TYR 61 2HB TYR 61 5.503 13.695 -14.365 450 2HB TYR 61 1HB TYR 61 5.016 13.453 -16.043 451 HD1 TYR 61 HD1 TYR 61 5.987 14.807 -17.668 452 HD2 TYR 61 HD2 TYR 61 5.673 16.264 -13.640 453 HE1 TYR 61 HE1 TYR 61 7.203 16.868 -18.319 454 HE2 TYR 61 HE2 TYR 61 6.889 18.327 -14.290 455 HH TYR 61 HH TYR 61 7.428 19.194 -17.536 456 H GLY 62 H GLY 62 2.400 16.729 -14.463 457 1HA GLY 62 2HA GLY 62 1.855 18.529 -15.920 458 2HA GLY 62 1HA GLY 62 2.467 17.580 -17.276 459 H CYS 63 H CYS 63 -0.062 16.906 -14.836 460 HA CYS 63 HA CYS 63 -1.947 16.477 -17.121 461 1HB CYS 63 2HB CYS 63 -3.064 14.779 -15.641 462 2HB CYS 63 1HB CYS 63 -1.423 14.332 -16.109 463 HG CYS 63 HG CYS 63 -0.783 14.358 -13.722 464 H GLY 64 H GLY 64 -4.019 17.355 -16.880 465 1HA GLY 64 2HA GLY 64 -4.480 19.686 -15.520 466 2HA GLY 64 1HA GLY 64 -5.782 18.535 -15.821 467 H SER 65 H SER 65 -6.487 17.201 -14.121 468 HA SER 65 HA SER 65 -5.190 17.704 -11.472 469 1HB SER 65 2HB SER 65 -8.100 17.721 -12.247 470 2HB SER 65 1HB SER 65 -7.618 17.336 -10.597 471 HG SER 65 HG SER 65 -6.673 19.328 -10.421 472 H ALA 66 H ALA 66 -4.827 15.475 -13.393 473 HA ALA 66 HA ALA 66 -6.292 13.164 -12.575 474 1HB ALA 66 1HB ALA 66 -3.423 13.257 -13.557 475 2HB ALA 66 2HB ALA 66 -4.834 13.311 -14.614 476 3HB ALA 66 3HB ALA 66 -4.521 11.879 -13.633 477 H ILE 67 H ILE 67 -3.484 14.790 -11.208 478 HA ILE 67 HA ILE 67 -2.302 12.952 -9.559 479 HB ILE 67 HB ILE 67 -3.214 15.761 -8.899 480 1HG1 ILE 67 2HG1 ILE 67 -0.439 15.592 -8.891 481 2HG1 ILE 67 1HG1 ILE 67 -0.905 14.504 -10.197 482 1HG2 ILE 67 1HG2 ILE 67 -1.462 15.507 -7.017 483 2HG2 ILE 67 2HG2 ILE 67 -1.678 13.770 -7.228 484 3HG2 ILE 67 3HG2 ILE 67 -3.045 14.777 -6.753 485 1HD1 ILE 67 1HD1 ILE 67 -2.154 16.234 -11.304 486 2HD1 ILE 67 2HD1 ILE 67 -0.583 16.921 -10.892 487 3HD1 ILE 67 3HD1 ILE 67 -2.000 17.312 -9.918 488 H ALA 68 H ALA 68 -5.580 14.210 -9.221 489 HA ALA 68 HA ALA 68 -5.973 12.802 -6.662 490 1HB ALA 68 1HB ALA 68 -7.759 14.469 -8.442 491 2HB ALA 68 2HB ALA 68 -7.179 14.846 -6.820 492 3HB ALA 68 3HB ALA 68 -8.393 13.587 -7.052 493 H SER 69 H SER 69 -7.723 12.694 -9.793 494 HA SER 69 HA SER 69 -9.009 10.222 -9.350 495 1HB SER 69 2HB SER 69 -7.970 11.168 -12.032 496 2HB SER 69 1HB SER 69 -9.351 10.118 -11.732 497 HG SER 69 HG SER 69 -10.376 11.970 -11.808 498 H SER 70 H SER 70 -5.709 10.921 -10.307 499 HA SER 70 HA SER 70 -4.991 8.321 -11.259 500 1HB SER 70 2HB SER 70 -2.706 9.020 -10.942 501 2HB SER 70 1HB SER 70 -3.609 10.435 -11.473 502 HG SER 70 HG SER 70 -3.215 11.340 -9.620 503 H SER 71 H SER 71 -5.202 9.713 -8.023 504 HA SER 71 HA SER 71 -3.951 7.444 -6.707 505 1HB SER 71 2HB SER 71 -3.856 9.361 -5.382 506 2HB SER 71 1HB SER 71 -5.485 9.868 -5.822 507 HG SER 71 HG SER 71 -6.164 8.836 -4.135 508 H LEU 72 H LEU 72 -7.240 8.367 -7.584 509 HA LEU 72 HA LEU 72 -8.603 6.394 -6.015 510 1HB LEU 72 2HB LEU 72 -9.623 8.388 -7.261 511 2HB LEU 72 1HB LEU 72 -9.516 7.399 -8.718 512 HG LEU 72 HG LEU 72 -10.721 5.591 -7.236 513 1HD1 LEU 72 1HD1 LEU 72 -10.472 7.395 -5.283 514 2HD1 LEU 72 2HD1 LEU 72 -11.867 6.320 -5.370 515 3HD1 LEU 72 3HD1 LEU 72 -11.991 7.977 -5.964 516 1HD2 LEU 72 1HD2 LEU 72 -11.798 7.957 -8.703 517 2HD2 LEU 72 2HD2 LEU 72 -12.948 6.987 -7.783 518 3HD2 LEU 72 3HD2 LEU 72 -11.983 6.239 -9.056 519 H ILE 73 H ILE 73 -7.879 6.337 -9.530 520 HA ILE 73 HA ILE 73 -8.584 3.663 -10.008 521 HB ILE 73 HB ILE 73 -7.975 5.233 -11.805 522 1HG1 ILE 73 2HG1 ILE 73 -6.125 2.827 -11.725 523 2HG1 ILE 73 1HG1 ILE 73 -7.827 2.771 -12.187 524 1HG2 ILE 73 1HG2 ILE 73 -5.079 4.802 -11.089 525 2HG2 ILE 73 2HG2 ILE 73 -5.992 6.135 -10.382 526 3HG2 ILE 73 3HG2 ILE 73 -5.785 6.037 -12.132 527 1HD1 ILE 73 1HD1 ILE 73 -5.982 3.008 -14.048 528 2HD1 ILE 73 2HD1 ILE 73 -5.994 4.705 -13.571 529 3HD1 ILE 73 3HD1 ILE 73 -7.470 3.947 -14.168 530 H THR 74 H THR 74 -5.348 4.915 -9.112 531 HA THR 74 HA THR 74 -4.000 2.446 -8.984 532 HB THR 74 HB THR 74 -2.815 3.756 -6.942 533 HG1 THR 74 HG1 THR 74 -4.200 5.436 -6.784 534 1HG2 THR 74 1HG2 THR 74 -1.414 3.449 -8.728 535 2HG2 THR 74 2HG2 THR 74 -1.765 5.157 -8.995 536 3HG2 THR 74 3HG2 THR 74 -2.641 3.923 -9.903 537 H GLU 75 H GLU 75 -6.267 3.897 -6.722 538 HA GLU 75 HA GLU 75 -5.735 1.875 -4.657 539 1HB GLU 75 2HB GLU 75 -6.389 4.037 -3.845 540 2HB GLU 75 1HB GLU 75 -7.783 4.090 -4.923 541 1HG GLU 75 2HG GLU 75 -8.859 2.282 -3.721 542 2HG GLU 75 1HG GLU 75 -7.422 2.032 -2.728 543 H TRP 76 H TRP 76 -7.644 2.135 -7.483 544 HA TRP 76 HA TRP 76 -9.672 0.200 -6.550 545 1HB TRP 76 2HB TRP 76 -9.701 2.235 -8.438 546 2HB TRP 76 1HB TRP 76 -9.600 0.776 -9.423 547 HD1 TRP 76 HD1 TRP 76 -11.315 -1.256 -7.975 548 HE1 TRP 76 HE1 TRP 76 -13.846 -0.925 -7.623 549 HE3 TRP 76 HE3 TRP 76 -11.621 3.819 -8.475 550 HZ2 TRP 76 HZ2 TRP 76 -15.750 1.208 -7.562 551 HZ3 TRP 76 HZ3 TRP 76 -13.804 4.972 -8.264 552 HH2 TRP 76 HH2 TRP 76 -15.868 3.674 -7.809 553 H VAL 77 H VAL 77 -6.676 0.261 -8.321 554 HA VAL 77 HA VAL 77 -7.121 -2.502 -9.316 555 HB VAL 77 HB VAL 77 -4.893 -2.136 -10.444 556 1HG1 VAL 77 1HG1 VAL 77 -7.354 -1.411 -11.245 557 2HG1 VAL 77 2HG1 VAL 77 -5.920 -1.107 -12.225 558 3HG1 VAL 77 3HG1 VAL 77 -6.595 0.181 -11.227 559 1HG2 VAL 77 1HG2 VAL 77 -4.625 0.601 -10.467 560 2HG2 VAL 77 2HG2 VAL 77 -3.652 -0.490 -9.482 561 3HG2 VAL 77 3HG2 VAL 77 -5.066 0.297 -8.787 562 H LYS 78 H LYS 78 -6.422 -1.412 -6.434 563 HA LYS 78 HA LYS 78 -4.043 -3.158 -5.989 564 1HB LYS 78 2HB LYS 78 -4.070 -0.718 -5.190 565 2HB LYS 78 1HB LYS 78 -5.259 -1.237 -3.995 566 1HG LYS 78 2HG LYS 78 -3.645 -2.111 -2.693 567 2HG LYS 78 1HG LYS 78 -3.039 -3.085 -4.033 568 1HD LYS 78 2HD LYS 78 -1.549 -1.406 -4.742 569 2HD LYS 78 1HD LYS 78 -2.409 -0.144 -3.861 570 1HE LYS 78 2HE LYS 78 -1.157 -2.437 -2.371 571 2HE LYS 78 1HE LYS 78 -0.172 -1.062 -2.872 572 1HZ LYS 78 1HZ LYS 78 -2.636 -0.244 -1.688 573 2HZ LYS 78 2HZ LYS 78 -1.045 0.202 -1.291 574 3HZ LYS 78 3HZ LYS 78 -1.725 -1.207 -0.629 575 H GLY 79 H GLY 79 -5.411 -5.098 -6.130 576 1HA GLY 79 2HA GLY 79 -6.009 -6.713 -4.250 577 2HA GLY 79 1HA GLY 79 -7.138 -5.467 -3.714 578 H LYS 80 H LYS 80 -7.346 -5.075 -6.880 579 HA LYS 80 HA LYS 80 -9.650 -6.942 -7.100 580 1HB LYS 80 2HB LYS 80 -8.885 -4.600 -8.870 581 2HB LYS 80 1HB LYS 80 -10.399 -5.503 -8.926 582 1HG LYS 80 2HG LYS 80 -9.435 -4.028 -6.464 583 2HG LYS 80 1HG LYS 80 -10.531 -3.321 -7.652 584 1HD LYS 80 2HD LYS 80 -12.009 -5.385 -7.291 585 2HD LYS 80 1HD LYS 80 -11.010 -5.721 -5.877 586 1HE LYS 80 2HE LYS 80 -11.683 -2.974 -5.738 587 2HE LYS 80 1HE LYS 80 -13.169 -3.829 -6.149 588 1HZ LYS 80 1HZ LYS 80 -13.246 -4.174 -3.946 589 2HZ LYS 80 2HZ LYS 80 -11.577 -3.936 -3.728 590 3HZ LYS 80 3HZ LYS 80 -12.161 -5.434 -4.279 591 H SER 81 H SER 81 -9.744 -6.986 -9.962 592 HA SER 81 HA SER 81 -7.225 -8.463 -10.609 593 1HB SER 81 2HB SER 81 -8.991 -10.093 -10.153 594 2HB SER 81 1HB SER 81 -10.069 -9.274 -11.279 595 HG SER 81 HG SER 81 -7.874 -9.705 -12.609 596 H LEU 82 H LEU 82 -6.911 -8.690 -13.016 597 HA LEU 82 HA LEU 82 -6.913 -6.227 -14.345 598 1HB LEU 82 2HB LEU 82 -6.974 -9.046 -15.444 599 2HB LEU 82 1HB LEU 82 -6.757 -7.627 -16.469 600 HG LEU 82 HG LEU 82 -5.019 -7.879 -14.053 601 1HD1 LEU 82 1HD1 LEU 82 -4.980 -10.135 -15.106 602 2HD1 LEU 82 2HD1 LEU 82 -3.434 -9.301 -15.266 603 3HD1 LEU 82 3HD1 LEU 82 -4.536 -9.388 -16.641 604 1HD2 LEU 82 1HD2 LEU 82 -4.583 -6.928 -16.904 605 2HD2 LEU 82 2HD2 LEU 82 -3.408 -6.800 -15.593 606 3HD2 LEU 82 3HD2 LEU 82 -4.919 -5.893 -15.515 607 H GLU 83 H GLU 83 -9.505 -8.575 -14.067 608 HA GLU 83 HA GLU 83 -11.150 -7.654 -16.208 609 1HB GLU 83 2HB GLU 83 -11.352 -9.624 -14.296 610 2HB GLU 83 1HB GLU 83 -12.588 -8.479 -13.774 611 1HG GLU 83 2HG GLU 83 -13.389 -8.454 -16.202 612 2HG GLU 83 1HG GLU 83 -12.348 -9.854 -16.456 613 H GLU 84 H GLU 84 -11.227 -6.792 -12.734 614 HA GLU 84 HA GLU 84 -13.221 -4.785 -12.932 615 1HB GLU 84 2HB GLU 84 -10.919 -5.235 -11.041 616 2HB GLU 84 1HB GLU 84 -11.947 -3.811 -10.881 617 1HG GLU 84 2HG GLU 84 -13.514 -6.242 -11.257 618 2HG GLU 84 1HG GLU 84 -12.476 -6.342 -9.835 619 H ALA 85 H ALA 85 -9.730 -4.647 -13.501 620 HA ALA 85 HA ALA 85 -9.586 -1.781 -13.771 621 1HB ALA 85 1HB ALA 85 -7.729 -3.775 -13.654 622 2HB ALA 85 2HB ALA 85 -7.374 -2.139 -14.207 623 3HB ALA 85 3HB ALA 85 -7.710 -3.412 -15.380 624 H GLY 86 H GLY 86 -10.118 -4.434 -16.074 625 1HA GLY 86 2HA GLY 86 -10.322 -2.551 -18.325 626 2HA GLY 86 1HA GLY 86 -10.541 -4.300 -18.413 627 H ALA 87 H ALA 87 -12.167 -1.918 -16.320 628 HA ALA 87 HA ALA 87 -14.663 -2.115 -17.821 629 1HB ALA 87 1HB ALA 87 -14.788 -4.243 -16.647 630 2HB ALA 87 2HB ALA 87 -15.936 -3.126 -15.911 631 3HB ALA 87 3HB ALA 87 -14.398 -3.461 -15.116 632 H ILE 88 H ILE 88 -12.957 -1.145 -14.882 633 HA ILE 88 HA ILE 88 -14.694 0.560 -13.609 634 HB ILE 88 HB ILE 88 -12.558 2.162 -13.526 635 1HG1 ILE 88 2HG1 ILE 88 -11.443 -0.495 -14.483 636 2HG1 ILE 88 1HG1 ILE 88 -11.470 0.987 -15.440 637 1HG2 ILE 88 1HG2 ILE 88 -11.572 0.191 -11.976 638 2HG2 ILE 88 2HG2 ILE 88 -13.194 -0.448 -12.242 639 3HG2 ILE 88 3HG2 ILE 88 -12.982 1.143 -11.511 640 1HD1 ILE 88 1HD1 ILE 88 -9.283 0.527 -14.232 641 2HD1 ILE 88 2HD1 ILE 88 -10.151 0.808 -12.722 642 3HD1 ILE 88 3HD1 ILE 88 -10.000 2.106 -13.909 643 H LYS 89 H LYS 89 -13.542 0.884 -16.862 644 HA LYS 89 HA LYS 89 -13.979 2.501 -18.508 645 1HB LYS 89 2HB LYS 89 -16.321 2.859 -16.626 646 2HB LYS 89 1HB LYS 89 -16.170 3.782 -18.122 647 1HG LYS 89 2HG LYS 89 -15.643 1.050 -18.747 648 2HG LYS 89 1HG LYS 89 -17.118 1.098 -17.782 649 1HD LYS 89 2HD LYS 89 -17.882 2.999 -19.327 650 2HD LYS 89 1HD LYS 89 -16.548 2.529 -20.383 651 1HE LYS 89 2HE LYS 89 -17.941 0.990 -21.269 652 2HE LYS 89 1HE LYS 89 -17.797 0.114 -19.746 653 1HZ LYS 89 1HZ LYS 89 -19.649 1.512 -18.901 654 2HZ LYS 89 2HZ LYS 89 -20.092 0.475 -20.172 655 3HZ LYS 89 3HZ LYS 89 -19.849 2.131 -20.467 656 H ASN 90 H ASN 90 -14.224 4.966 -18.807 657 HA ASN 90 HA ASN 90 -12.617 6.286 -16.676 658 1HB ASN 90 2HB ASN 90 -11.658 7.583 -18.317 659 2HB ASN 90 1HB ASN 90 -12.116 6.206 -19.318 660 1HD2 ASN 90 1HD2 ASN 90 -12.279 9.529 -19.248 661 2HD2 ASN 90 2HD2 ASN 90 -13.662 9.761 -20.206 662 H SER 91 H SER 91 -15.497 6.826 -18.720 663 HA SER 91 HA SER 91 -16.287 9.314 -17.628 664 1HB SER 91 2HB SER 91 -17.372 8.263 -19.598 665 2HB SER 91 1HB SER 91 -18.084 7.046 -18.543 666 HG SER 91 HG SER 91 -19.199 9.233 -19.151 667 H GLN 92 H GLN 92 -16.350 6.136 -16.238 668 HA GLN 92 HA GLN 92 -18.390 6.600 -14.259 669 1HB GLN 92 2HB GLN 92 -17.527 4.338 -14.876 670 2HB GLN 92 1HB GLN 92 -15.996 4.742 -14.099 671 1HG GLN 92 2HG GLN 92 -17.286 5.194 -11.977 672 2HG GLN 92 1HG GLN 92 -18.716 4.545 -12.780 673 1HE2 GLN 92 1HE2 GLN 92 -18.930 2.269 -12.878 674 2HE2 GLN 92 2HE2 GLN 92 -17.742 1.184 -12.336 675 H ILE 93 H ILE 93 -14.838 6.421 -13.787 676 HA ILE 93 HA ILE 93 -14.763 7.531 -11.212 677 HB ILE 93 HB ILE 93 -12.764 7.876 -13.468 678 1HG1 ILE 93 2HG1 ILE 93 -12.852 5.919 -11.150 679 2HG1 ILE 93 1HG1 ILE 93 -13.289 5.525 -12.813 680 1HG2 ILE 93 1HG2 ILE 93 -11.859 9.384 -12.021 681 2HG2 ILE 93 2HG2 ILE 93 -11.348 7.952 -11.129 682 3HG2 ILE 93 3HG2 ILE 93 -12.821 8.801 -10.663 683 1HD1 ILE 93 1HD1 ILE 93 -10.626 5.855 -11.607 684 2HD1 ILE 93 2HD1 ILE 93 -10.827 6.707 -13.137 685 3HD1 ILE 93 3HD1 ILE 93 -11.103 4.968 -13.054 686 H ALA 94 H ALA 94 -15.189 9.132 -14.309 687 HA ALA 94 HA ALA 94 -14.643 11.807 -13.451 688 1HB ALA 94 1HB ALA 94 -15.840 10.498 -15.774 689 2HB ALA 94 2HB ALA 94 -14.901 11.989 -15.690 690 3HB ALA 94 3HB ALA 94 -16.637 12.021 -15.384 691 H GLU 95 H GLU 95 -17.677 9.928 -13.557 692 HA GLU 95 HA GLU 95 -19.262 12.081 -12.432 693 1HB GLU 95 2HB GLU 95 -19.736 9.113 -12.779 694 2HB GLU 95 1HB GLU 95 -20.922 10.176 -12.018 695 1HG GLU 95 2HG GLU 95 -19.772 10.979 -14.665 696 2HG GLU 95 1HG GLU 95 -21.005 9.719 -14.628 697 H GLU 96 H GLU 96 -17.114 9.731 -11.124 698 HA GLU 96 HA GLU 96 -18.290 9.551 -8.487 699 1HB GLU 96 2HB GLU 96 -15.531 8.972 -9.580 700 2HB GLU 96 1HB GLU 96 -15.917 8.783 -7.870 701 1HG GLU 96 2HG GLU 96 -17.361 7.413 -10.160 702 2HG GLU 96 1HG GLU 96 -16.194 6.647 -9.080 703 H LEU 97 H LEU 97 -15.516 11.420 -9.777 704 HA LEU 97 HA LEU 97 -15.391 13.004 -7.302 705 1HB LEU 97 2HB LEU 97 -13.839 12.985 -9.892 706 2HB LEU 97 1HB LEU 97 -13.660 14.311 -8.744 707 HG LEU 97 HG LEU 97 -13.348 12.328 -7.006 708 1HD1 LEU 97 1HD1 LEU 97 -12.203 10.411 -8.017 709 2HD1 LEU 97 2HD1 LEU 97 -12.413 11.109 -9.623 710 3HD1 LEU 97 3HD1 LEU 97 -13.819 10.571 -8.703 711 1HD2 LEU 97 1HD2 LEU 97 -11.625 13.953 -7.341 712 2HD2 LEU 97 2HD2 LEU 97 -11.310 13.383 -8.980 713 3HD2 LEU 97 3HD2 LEU 97 -10.859 12.384 -7.599 714 H GLU 98 H GLU 98 -17.149 13.084 -10.199 715 HA GLU 98 HA GLU 98 -18.513 14.719 -11.186 716 1HB GLU 98 2HB GLU 98 -18.596 16.365 -8.728 717 2HB GLU 98 1HB GLU 98 -19.922 15.687 -9.675 718 1HG GLU 98 2HG GLU 98 -18.993 13.393 -8.725 719 2HG GLU 98 1HG GLU 98 -18.343 14.435 -7.459 720 H LEU 99 H LEU 99 -15.464 15.195 -10.841 721 HA LEU 99 HA LEU 99 -15.008 17.986 -10.542 722 1HB LEU 99 2HB LEU 99 -12.881 17.610 -11.559 723 2HB LEU 99 1HB LEU 99 -13.261 16.122 -10.697 724 HG LEU 99 HG LEU 99 -13.718 16.596 -13.659 725 1HD1 LEU 99 1HD1 LEU 99 -11.379 15.847 -12.191 726 2HD1 LEU 99 2HD1 LEU 99 -11.588 15.940 -13.940 727 3HD1 LEU 99 3HD1 LEU 99 -11.941 14.436 -13.088 728 1HD2 LEU 99 1HD2 LEU 99 -14.044 14.031 -13.525 729 2HD2 LEU 99 2HD2 LEU 99 -15.364 15.045 -12.942 730 3HD2 LEU 99 3HD2 LEU 99 -14.265 14.284 -11.793 731 HA PRO 100 HA PRO 100 -16.826 20.169 -13.878 732 1HB PRO 100 2HB PRO 100 -14.010 20.875 -14.628 733 2HB PRO 100 1HB PRO 100 -15.426 21.929 -14.453 734 1HG PRO 100 2HG PRO 100 -13.509 21.716 -12.565 735 2HG PRO 100 1HG PRO 100 -15.199 22.086 -12.196 736 1HD PRO 100 2HD PRO 100 -13.681 19.651 -11.590 737 2HD PRO 100 1HD PRO 100 -15.261 20.168 -10.965 738 HA PRO 101 HA PRO 101 -16.399 17.356 -17.302 739 1HB PRO 101 2HB PRO 101 -17.826 18.748 -19.175 740 2HB PRO 101 1HB PRO 101 -18.579 17.859 -17.838 741 1HG PRO 101 2HG PRO 101 -18.083 20.773 -18.134 742 2HG PRO 101 1HG PRO 101 -19.449 19.926 -17.391 743 1HD PRO 101 2HD PRO 101 -17.400 21.084 -15.953 744 2HD PRO 101 1HD PRO 101 -18.393 19.737 -15.355 745 H VAL 102 H VAL 102 -14.643 20.072 -17.024 746 HA VAL 102 HA VAL 102 -13.771 20.214 -19.858 747 HB VAL 102 HB VAL 102 -14.147 22.259 -18.274 748 1HG1 VAL 102 1HG1 VAL 102 -12.652 21.133 -16.503 749 2HG1 VAL 102 2HG1 VAL 102 -12.351 22.839 -16.834 750 3HG1 VAL 102 3HG1 VAL 102 -11.294 21.606 -17.523 751 1HG2 VAL 102 1HG2 VAL 102 -13.221 22.577 -20.465 752 2HG2 VAL 102 2HG2 VAL 102 -11.696 21.822 -20.000 753 3HG2 VAL 102 3HG2 VAL 102 -12.132 23.401 -19.348 754 H LYS 103 H LYS 103 -12.692 19.128 -16.695 755 HA LYS 103 HA LYS 103 -10.013 18.459 -17.774 756 1HB LYS 103 2HB LYS 103 -11.241 18.649 -15.058 757 2HB LYS 103 1HB LYS 103 -9.910 17.512 -15.268 758 1HG LYS 103 2HG LYS 103 -8.372 19.167 -15.531 759 2HG LYS 103 1HG LYS 103 -9.463 20.157 -16.500 760 1HD LYS 103 2HD LYS 103 -10.634 20.909 -14.503 761 2HD LYS 103 1HD LYS 103 -9.674 19.826 -13.495 762 1HE LYS 103 2HE LYS 103 -8.442 21.752 -13.211 763 2HE LYS 103 1HE LYS 103 -7.661 21.142 -14.671 764 1HZ LYS 103 1HZ LYS 103 -9.922 23.068 -14.618 765 2HZ LYS 103 2HZ LYS 103 -9.110 22.513 -16.003 766 3HZ LYS 103 3HZ LYS 103 -8.295 23.480 -14.868 767 H VAL 104 H VAL 104 -12.760 17.097 -18.352 768 HA VAL 104 HA VAL 104 -12.775 14.481 -17.281 769 HB VAL 104 HB VAL 104 -14.464 15.688 -18.881 770 1HG1 VAL 104 1HG1 VAL 104 -14.220 15.188 -21.212 771 2HG1 VAL 104 2HG1 VAL 104 -12.852 14.117 -20.907 772 3HG1 VAL 104 3HG1 VAL 104 -12.674 15.858 -20.689 773 1HG2 VAL 104 1HG2 VAL 104 -13.818 12.856 -18.432 774 2HG2 VAL 104 2HG2 VAL 104 -14.762 13.133 -19.896 775 3HG2 VAL 104 3HG2 VAL 104 -15.373 13.680 -18.334 776 H HIS 105 H HIS 105 -10.592 15.952 -19.515 777 HA HIS 105 HA HIS 105 -9.681 13.746 -21.014 778 1HB HIS 105 2HB HIS 105 -7.690 15.693 -19.903 779 2HB HIS 105 1HB HIS 105 -7.825 15.044 -21.537 780 HD2 HIS 105 HD2 HIS 105 -7.876 18.381 -20.923 781 HE1 HIS 105 HE1 HIS 105 -11.897 18.035 -22.166 782 HE2 HIS 105 HE2 HIS 105 -9.987 19.656 -21.770 783 H CYS 106 H CYS 106 -9.008 14.637 -17.665 784 HA CYS 106 HA CYS 106 -6.813 12.909 -17.178 785 1HB CYS 106 2HB CYS 106 -9.070 13.767 -15.343 786 2HB CYS 106 1HB CYS 106 -7.613 12.936 -14.795 787 HG CYS 106 HG CYS 106 -7.757 15.873 -15.732 788 H SER 107 H SER 107 -10.277 12.252 -16.498 789 HA SER 107 HA SER 107 -10.056 9.564 -15.774 790 1HB SER 107 2HB SER 107 -12.155 11.217 -16.171 791 2HB SER 107 1HB SER 107 -12.292 10.227 -17.622 792 HG SER 107 HG SER 107 -12.495 9.518 -14.919 793 H ILE 108 H ILE 108 -10.650 10.773 -19.099 794 HA ILE 108 HA ILE 108 -10.521 8.358 -20.482 795 HB ILE 108 HB ILE 108 -9.375 11.050 -21.278 796 1HG1 ILE 108 2HG1 ILE 108 -12.011 9.647 -21.819 797 2HG1 ILE 108 1HG1 ILE 108 -11.771 11.114 -20.868 798 1HG2 ILE 108 1HG2 ILE 108 -8.366 9.236 -22.609 799 2HG2 ILE 108 2HG2 ILE 108 -9.485 10.182 -23.592 800 3HG2 ILE 108 3HG2 ILE 108 -9.972 8.604 -22.972 801 1HD1 ILE 108 1HD1 ILE 108 -10.626 11.936 -23.146 802 2HD1 ILE 108 2HD1 ILE 108 -12.363 12.085 -22.871 803 3HD1 ILE 108 3HD1 ILE 108 -11.733 10.745 -23.829 804 H LEU 109 H LEU 109 -7.680 10.516 -20.148 805 HA LEU 109 HA LEU 109 -5.691 8.786 -20.983 806 1HB LEU 109 2HB LEU 109 -5.802 11.006 -19.014 807 2HB LEU 109 1HB LEU 109 -4.407 9.934 -18.888 808 HG LEU 109 HG LEU 109 -4.058 10.241 -21.373 809 1HD1 LEU 109 1HD1 LEU 109 -5.699 12.725 -21.245 810 2HD1 LEU 109 2HD1 LEU 109 -6.573 11.202 -21.419 811 3HD1 LEU 109 3HD1 LEU 109 -5.365 11.666 -22.617 812 1HD2 LEU 109 1HD2 LEU 109 -3.108 11.689 -19.323 813 2HD2 LEU 109 2HD2 LEU 109 -3.985 12.969 -20.161 814 3HD2 LEU 109 3HD2 LEU 109 -2.714 12.078 -20.997 815 H ALA 110 H ALA 110 -7.544 8.604 -18.020 816 HA ALA 110 HA ALA 110 -5.799 6.764 -16.640 817 1HB ALA 110 1HB ALA 110 -7.316 6.972 -14.976 818 2HB ALA 110 2HB ALA 110 -8.642 6.465 -16.023 819 3HB ALA 110 3HB ALA 110 -8.126 8.151 -16.008 820 H GLU 111 H GLU 111 -9.064 6.029 -17.912 821 HA GLU 111 HA GLU 111 -8.755 3.245 -18.021 822 1HB GLU 111 2HB GLU 111 -10.869 4.606 -18.473 823 2HB GLU 111 1HB GLU 111 -10.264 4.824 -20.117 824 1HG GLU 111 2HG GLU 111 -9.954 2.165 -19.922 825 2HG GLU 111 1HG GLU 111 -11.287 2.362 -18.783 826 H ASP 112 H ASP 112 -7.573 5.698 -20.246 827 HA ASP 112 HA ASP 112 -6.848 3.830 -22.346 828 1HB ASP 112 2HB ASP 112 -7.138 6.454 -22.415 829 2HB ASP 112 1HB ASP 112 -5.437 6.452 -21.948 830 H ALA 113 H ALA 113 -5.394 4.916 -19.374 831 HA ALA 113 HA ALA 113 -2.688 4.090 -20.041 832 1HB ALA 113 1HB ALA 113 -4.101 5.202 -17.717 833 2HB ALA 113 2HB ALA 113 -2.441 5.463 -18.253 834 3HB ALA 113 3HB ALA 113 -2.843 4.044 -17.283 835 H ILE 114 H ILE 114 -5.483 2.570 -18.481 836 HA ILE 114 HA ILE 114 -3.993 0.214 -17.652 837 HB ILE 114 HB ILE 114 -6.346 1.193 -16.845 838 1HG1 ILE 114 2HG1 ILE 114 -6.873 -1.298 -16.194 839 2HG1 ILE 114 1HG1 ILE 114 -5.311 -1.628 -16.945 840 1HG2 ILE 114 1HG2 ILE 114 -7.369 0.757 -19.106 841 2HG2 ILE 114 2HG2 ILE 114 -8.216 -0.029 -17.775 842 3HG2 ILE 114 3HG2 ILE 114 -7.146 -0.968 -18.816 843 1HD1 ILE 114 1HD1 ILE 114 -5.845 0.293 -14.661 844 2HD1 ILE 114 2HD1 ILE 114 -4.289 0.119 -15.473 845 3HD1 ILE 114 3HD1 ILE 114 -4.968 -1.235 -14.568 846 H LYS 115 H LYS 115 -6.120 1.002 -20.403 847 HA LYS 115 HA LYS 115 -6.121 -1.586 -21.590 848 1HB LYS 115 2HB LYS 115 -7.290 0.793 -22.220 849 2HB LYS 115 1HB LYS 115 -6.017 0.727 -23.440 850 1HG LYS 115 2HG LYS 115 -6.795 -1.660 -23.922 851 2HG LYS 115 1HG LYS 115 -8.214 -1.290 -22.943 852 1HD LYS 115 2HD LYS 115 -8.873 0.489 -24.417 853 2HD LYS 115 1HD LYS 115 -7.344 0.406 -25.294 854 1HE LYS 115 2HE LYS 115 -7.988 -2.031 -25.831 855 2HE LYS 115 1HE LYS 115 -9.609 -1.589 -25.297 856 1HZ LYS 115 1HZ LYS 115 -9.613 0.201 -26.923 857 2HZ LYS 115 2HZ LYS 115 -9.370 -1.302 -27.676 858 3HZ LYS 115 3HZ LYS 115 -8.062 -0.242 -27.445 859 H ALA 116 H ALA 116 -3.853 1.133 -21.874 860 HA ALA 116 HA ALA 116 -2.195 -0.011 -23.901 861 1HB ALA 116 1HB ALA 116 -2.046 2.218 -22.004 862 2HB ALA 116 2HB ALA 116 -1.435 2.108 -23.655 863 3HB ALA 116 3HB ALA 116 -0.476 1.479 -22.316 864 H ALA 117 H ALA 117 -1.757 0.018 -20.338 865 HA ALA 117 HA ALA 117 0.534 -1.585 -20.189 866 1HB ALA 117 1HB ALA 117 -0.030 -1.989 -17.938 867 2HB ALA 117 2HB ALA 117 -1.761 -1.996 -18.278 868 3HB ALA 117 3HB ALA 117 -0.866 -0.476 -18.292 869 H ILE 118 H ILE 118 -2.805 -2.846 -19.811 870 HA ILE 118 HA ILE 118 -2.378 -5.547 -19.877 871 HB ILE 118 HB ILE 118 -4.449 -3.989 -21.449 872 1HG1 ILE 118 2HG1 ILE 118 -4.599 -5.512 -18.827 873 2HG1 ILE 118 1HG1 ILE 118 -4.474 -3.758 -18.968 874 1HG2 ILE 118 1HG2 ILE 118 -5.700 -6.147 -21.510 875 2HG2 ILE 118 2HG2 ILE 118 -4.279 -6.958 -20.849 876 3HG2 ILE 118 3HG2 ILE 118 -4.205 -6.208 -22.445 877 1HD1 ILE 118 1HD1 ILE 118 -6.650 -5.144 -20.482 878 2HD1 ILE 118 2HD1 ILE 118 -6.631 -3.528 -19.776 879 3HD1 ILE 118 3HD1 ILE 118 -6.844 -4.940 -18.741 880 H ALA 119 H ALA 119 -2.319 -3.414 -22.735 881 HA ALA 119 HA ALA 119 -1.875 -5.382 -24.711 882 1HB ALA 119 1HB ALA 119 -1.407 -3.622 -26.106 883 2HB ALA 119 2HB ALA 119 -0.313 -2.863 -24.949 884 3HB ALA 119 3HB ALA 119 -2.057 -2.685 -24.761 885 H ASP 120 H ASP 120 0.625 -3.453 -23.009 886 HA ASP 120 HA ASP 120 2.850 -4.908 -24.006 887 1HB ASP 120 2HB ASP 120 2.617 -3.583 -21.287 888 2HB ASP 120 1HB ASP 120 4.106 -3.927 -22.167 889 H TYR 121 H TYR 121 0.944 -5.377 -21.024 890 HA TYR 121 HA TYR 121 2.437 -7.553 -19.981 891 1HB TYR 121 2HB TYR 121 0.836 -6.680 -18.505 892 2HB TYR 121 1HB TYR 121 -0.436 -6.692 -19.727 893 HD1 TYR 121 HD1 TYR 121 1.745 -8.933 -17.683 894 HD2 TYR 121 HD2 TYR 121 -1.885 -8.546 -19.947 895 HE1 TYR 121 HE1 TYR 121 1.025 -11.177 -16.912 896 HE2 TYR 121 HE2 TYR 121 -2.605 -10.791 -19.176 897 HH TYR 121 HH TYR 121 -1.614 -12.282 -16.688 898 H LYS 122 H LYS 122 0.327 -7.373 -22.713 899 HA LYS 122 HA LYS 122 -0.047 -10.307 -22.809 900 1HB LYS 122 2HB LYS 122 -1.813 -8.538 -23.501 901 2HB LYS 122 1HB LYS 122 -0.850 -8.357 -24.967 902 1HG LYS 122 2HG LYS 122 -2.383 -10.015 -25.587 903 2HG LYS 122 1HG LYS 122 -0.988 -10.967 -25.075 904 1HD LYS 122 2HD LYS 122 -2.207 -10.747 -22.699 905 2HD LYS 122 1HD LYS 122 -3.627 -10.598 -23.734 906 1HE LYS 122 2HE LYS 122 -2.580 -12.685 -24.961 907 2HE LYS 122 1HE LYS 122 -1.742 -12.912 -23.427 908 1HZ LYS 122 1HZ LYS 122 -4.200 -13.823 -23.942 909 2HZ LYS 122 2HZ LYS 122 -4.569 -12.334 -23.212 910 3HZ LYS 122 3HZ LYS 122 -3.626 -13.479 -22.383 911 H ALA 123 H ALA 123 1.869 -7.774 -24.308 912 HA ALA 123 HA ALA 123 2.907 -9.581 -26.384 913 1HB ALA 123 1HB ALA 123 3.974 -7.707 -27.273 914 2HB ALA 123 2HB ALA 123 4.174 -6.947 -25.695 915 3HB ALA 123 3HB ALA 123 2.591 -6.960 -26.473 916 H LYS 124 H LYS 124 3.512 -9.074 -23.117 917 HA LYS 124 HA LYS 124 6.414 -9.507 -23.243 918 1HB LYS 124 2HB LYS 124 5.192 -8.170 -21.432 919 2HB LYS 124 1HB LYS 124 4.652 -9.725 -20.794 920 1HG LYS 124 2HG LYS 124 6.605 -9.817 -19.669 921 2HG LYS 124 1HG LYS 124 7.389 -10.075 -21.228 922 1HD LYS 124 2HD LYS 124 8.470 -8.193 -20.156 923 2HD LYS 124 1HD LYS 124 7.510 -7.574 -21.500 924 1HE LYS 124 2HE LYS 124 5.755 -7.636 -19.301 925 2HE LYS 124 1HE LYS 124 7.271 -6.992 -18.672 926 1HZ LYS 124 1HZ LYS 124 5.755 -5.292 -19.618 927 2HZ LYS 124 2HZ LYS 124 5.956 -6.011 -21.145 928 3HZ LYS 124 3HZ LYS 124 7.287 -5.320 -20.345 929 H GLN 125 H GLN 125 4.346 -11.506 -24.295 930 HA GLN 125 HA GLN 125 5.716 -13.882 -23.287 931 1HB GLN 125 2HB GLN 125 3.467 -14.967 -22.665 932 2HB GLN 125 1HB GLN 125 4.129 -13.801 -21.518 933 1HG GLN 125 2HG GLN 125 2.719 -12.027 -22.562 934 2HG GLN 125 1HG GLN 125 1.997 -13.255 -23.603 935 1HE2 GLN 125 1HE2 GLN 125 2.832 -13.330 -20.094 936 2HE2 GLN 125 2HE2 GLN 125 1.267 -13.742 -19.582 937 H GLY 126 H GLY 126 5.830 -13.059 -25.821 938 1HA GLY 126 2HA GLY 126 3.943 -14.889 -27.246 939 2HA GLY 126 1HA GLY 126 4.335 -13.300 -27.905 940 H LEU 127 H LEU 127 6.790 -12.918 -28.163 941 HA LEU 127 HA LEU 127 7.872 -14.806 -29.963 942 1HB LEU 127 2HB LEU 127 8.974 -12.503 -28.410 943 2HB LEU 127 1HB LEU 127 10.123 -13.610 -29.165 944 HG LEU 127 HG LEU 127 8.969 -13.306 -31.337 945 1HD1 LEU 127 1HD1 LEU 127 6.805 -12.646 -31.162 946 2HD1 LEU 127 2HD1 LEU 127 7.463 -11.015 -31.041 947 3HD1 LEU 127 3HD1 LEU 127 7.064 -11.915 -29.579 948 1HD2 LEU 127 1HD2 LEU 127 10.593 -11.442 -29.958 949 2HD2 LEU 127 2HD2 LEU 127 9.362 -10.492 -30.791 950 3HD2 LEU 127 3HD2 LEU 127 10.392 -11.595 -31.704 951 H GLU 128 H GLU 128 8.296 -14.495 -26.458 952 HA GLU 128 HA GLU 128 10.321 -16.565 -26.288 953 1HB GLU 128 2HB GLU 128 8.453 -15.529 -24.135 954 2HB GLU 128 1HB GLU 128 9.936 -16.447 -23.872 955 1HG GLU 128 2HG GLU 128 11.304 -14.666 -24.424 956 2HG GLU 128 1HG GLU 128 10.104 -13.940 -25.496 957 H HIS 129 H HIS 129 8.003 -17.373 -27.827 958 HA HIS 129 HA HIS 129 7.337 -19.823 -26.306 959 1HB HIS 129 2HB HIS 129 5.236 -17.987 -27.499 960 2HB HIS 129 1HB HIS 129 4.922 -19.592 -26.838 961 HD2 HIS 129 HD2 HIS 129 6.303 -16.121 -25.451 962 HE1 HIS 129 HE1 HIS 129 4.601 -18.309 -22.265 963 HE2 HIS 129 HE2 HIS 129 5.677 -16.107 -22.919 964 H HIS 130 H HIS 130 7.438 -21.560 -27.663 965 HA HIS 130 HA HIS 130 8.140 -21.217 -30.431 966 1HB HIS 130 2HB HIS 130 8.460 -23.247 -28.695 967 2HB HIS 130 1HB HIS 130 7.009 -23.820 -29.518 968 HD2 HIS 130 HD2 HIS 130 10.771 -23.850 -30.085 969 HE1 HIS 130 HE1 HIS 130 9.047 -24.420 -33.898 970 HE2 HIS 130 HE2 HIS 130 11.205 -24.516 -32.569 971 H HIS 131 H HIS 131 5.762 -19.807 -30.033 972 HA HIS 131 HA HIS 131 3.449 -21.370 -30.819 973 1HB HIS 131 2HB HIS 131 3.998 -18.659 -30.041 974 2HB HIS 131 1HB HIS 131 3.092 -18.639 -31.554 975 HD2 HIS 131 HD2 HIS 131 2.398 -21.455 -28.886 976 HE1 HIS 131 HE1 HIS 131 -0.971 -18.913 -29.034 977 HE2 HIS 131 HE2 HIS 131 -0.051 -21.073 -28.074 978 H HIS 132 H HIS 132 4.224 -22.507 -32.708 979 HA HIS 132 HA HIS 132 4.060 -20.844 -35.161 980 1HB HIS 132 2HB HIS 132 6.438 -22.359 -34.222 981 2HB HIS 132 1HB HIS 132 6.018 -22.558 -35.923 982 HD2 HIS 132 HD2 HIS 132 8.694 -20.814 -35.463 983 HE1 HIS 132 HE1 HIS 132 6.272 -17.394 -35.986 984 HE2 HIS 132 HE2 HIS 132 8.657 -18.257 -35.971 985 H HIS 133 H HIS 133 2.823 -23.297 -33.485 986 HA HIS 133 HA HIS 133 2.276 -24.928 -35.934 987 1HB HIS 133 2HB HIS 133 1.764 -26.778 -34.224 988 2HB HIS 133 1HB HIS 133 3.462 -26.355 -34.443 989 HD2 HIS 133 HD2 HIS 133 1.454 -27.122 -31.498 990 HE1 HIS 133 HE1 HIS 133 3.682 -23.772 -30.214 991 HE2 HIS 133 HE2 HIS 133 2.236 -25.710 -29.449 992 H HIS 134 HN HIS 134 0.710 -22.731 -35.579 993 HA HIS 134 HA HIS 134 -1.504 -22.786 -33.900 994 1HB HIS 134 2HB HIS 134 -0.916 -21.691 -36.552 995 2HB HIS 134 1HB HIS 134 -2.623 -22.081 -36.345 996 HD2 HIS 134 HD2 HIS 134 -0.157 -19.328 -35.307 997 HE1 HIS 134 HE1 HIS 134 -3.570 -18.838 -32.868 998 HE2 HIS 134 HE2 HIS 134 -1.392 -17.773 -33.616 Start of MODEL 11 1 1H MET 1 1H MET 1 42.297 -3.808 -6.563 2 2H MET 1 2H MET 1 41.844 -3.209 -8.087 3 3H MET 1 3H MET 1 41.978 -2.155 -6.762 4 HA MET 1 HA MET 1 44.308 -2.333 -6.696 5 1HB MET 1 2HB MET 1 44.325 -4.801 -7.107 6 2HB MET 1 1HB MET 1 44.030 -4.483 -8.817 7 1HG MET 1 2HG MET 1 46.302 -3.038 -7.533 8 2HG MET 1 1HG MET 1 46.510 -4.762 -7.841 9 1HE MET 1 1HE MET 1 47.250 -1.511 -9.011 10 2HE MET 1 2HE MET 1 47.908 -1.917 -10.594 11 3HE MET 1 3HE MET 1 48.449 -2.801 -9.169 12 H ALA 2 H ALA 2 42.058 -2.243 -9.335 13 HA ALA 2 HA ALA 2 43.854 -0.304 -10.739 14 1HB ALA 2 1HB ALA 2 42.251 -0.960 -12.736 15 2HB ALA 2 2HB ALA 2 41.992 -2.417 -11.775 16 3HB ALA 2 3HB ALA 2 43.616 -1.996 -12.320 17 H TYR 3 H TYR 3 43.062 1.610 -9.857 18 HA TYR 3 HA TYR 3 40.134 2.108 -10.229 19 1HB TYR 3 2HB TYR 3 40.967 2.077 -7.835 20 2HB TYR 3 1HB TYR 3 41.956 3.482 -8.234 21 HD1 TYR 3 HD1 TYR 3 41.044 5.625 -8.023 22 HD2 TYR 3 HD2 TYR 3 38.419 2.253 -8.455 23 HE1 TYR 3 HE1 TYR 3 39.085 7.105 -7.671 24 HE2 TYR 3 HE2 TYR 3 36.460 3.732 -8.103 25 HH TYR 3 HH TYR 3 35.793 5.921 -8.077 26 H SER 4 H SER 4 40.844 2.745 -12.463 27 HA SER 4 HA SER 4 42.639 4.835 -13.048 28 1HB SER 4 2HB SER 4 41.303 3.341 -14.671 29 2HB SER 4 1HB SER 4 39.998 4.508 -14.479 30 HG SER 4 HG SER 4 42.593 4.869 -15.537 31 H GLU 5 H GLU 5 41.082 6.847 -14.309 32 HA GLU 5 HA GLU 5 39.660 8.099 -11.996 33 1HB GLU 5 2HB GLU 5 41.461 9.622 -13.893 34 2HB GLU 5 1HB GLU 5 40.766 10.186 -12.373 35 1HG GLU 5 2HG GLU 5 42.134 7.905 -11.609 36 2HG GLU 5 1HG GLU 5 43.190 8.603 -12.839 37 H LYS 6 H LYS 6 37.671 7.498 -13.085 38 HA LYS 6 HA LYS 6 37.015 9.360 -15.314 39 1HB LYS 6 2HB LYS 6 36.701 6.366 -15.282 40 2HB LYS 6 1HB LYS 6 35.596 7.364 -16.226 41 1HG LYS 6 2HG LYS 6 37.618 8.438 -17.295 42 2HG LYS 6 1HG LYS 6 38.611 7.225 -16.487 43 1HD LYS 6 2HD LYS 6 36.455 5.850 -17.743 44 2HD LYS 6 1HD LYS 6 37.126 6.970 -18.930 45 1HE LYS 6 2HE LYS 6 39.420 6.093 -18.322 46 2HE LYS 6 1HE LYS 6 38.618 4.849 -17.364 47 1HZ LYS 6 1HZ LYS 6 37.657 5.186 -20.085 48 2HZ LYS 6 2HZ LYS 6 37.912 3.766 -19.188 49 3HZ LYS 6 3HZ LYS 6 39.222 4.551 -19.930 50 H VAL 7 H VAL 7 34.653 9.725 -15.493 51 HA VAL 7 HA VAL 7 33.259 9.135 -12.909 52 HB VAL 7 HB VAL 7 31.998 11.288 -13.375 53 1HG1 VAL 7 1HG1 VAL 7 33.793 11.219 -11.722 54 2HG1 VAL 7 2HG1 VAL 7 33.897 12.728 -12.629 55 3HG1 VAL 7 3HG1 VAL 7 35.005 11.403 -12.989 56 1HG2 VAL 7 1HG2 VAL 7 34.276 12.032 -15.179 57 2HG2 VAL 7 2HG2 VAL 7 32.655 12.720 -15.088 58 3HG2 VAL 7 3HG2 VAL 7 32.907 11.155 -15.860 59 H ILE 8 H ILE 8 32.944 7.232 -14.810 60 HA ILE 8 HA ILE 8 30.494 7.894 -16.352 61 HB ILE 8 HB ILE 8 32.048 5.292 -16.313 62 1HG1 ILE 8 2HG1 ILE 8 32.315 7.711 -18.128 63 2HG1 ILE 8 1HG1 ILE 8 33.540 7.098 -17.016 64 1HG2 ILE 8 1HG2 ILE 8 30.601 6.154 -18.726 65 2HG2 ILE 8 2HG2 ILE 8 29.555 5.871 -17.335 66 3HG2 ILE 8 3HG2 ILE 8 30.610 4.584 -17.920 67 1HD1 ILE 8 1HD1 ILE 8 33.077 6.311 -19.717 68 2HD1 ILE 8 2HD1 ILE 8 32.680 4.935 -18.687 69 3HD1 ILE 8 3HD1 ILE 8 34.278 5.676 -18.594 70 H ASP 9 H ASP 9 29.770 8.036 -13.815 71 HA ASP 9 HA ASP 9 28.969 5.389 -12.790 72 1HB ASP 9 2HB ASP 9 29.449 7.953 -11.653 73 2HB ASP 9 1HB ASP 9 27.755 7.564 -11.354 74 H HIS 10 H HIS 10 26.476 6.023 -11.673 75 HA HIS 10 HA HIS 10 24.807 6.226 -14.140 76 1HB HIS 10 2HB HIS 10 24.505 4.751 -11.541 77 2HB HIS 10 1HB HIS 10 23.063 5.191 -12.455 78 HD2 HIS 10 HD2 HIS 10 22.566 3.578 -14.677 79 HE1 HIS 10 HE1 HIS 10 26.185 1.404 -14.588 80 HE2 HIS 10 HE2 HIS 10 23.914 1.595 -15.702 81 H TYR 11 H TYR 11 22.358 6.795 -13.020 82 HA TYR 11 HA TYR 11 22.708 9.235 -11.367 83 1HB TYR 11 2HB TYR 11 21.311 9.171 -14.060 84 2HB TYR 11 1HB TYR 11 21.240 10.521 -12.927 85 HD1 TYR 11 HD1 TYR 11 23.049 9.063 -15.631 86 HD2 TYR 11 HD2 TYR 11 23.526 11.481 -12.114 87 HE1 TYR 11 HE1 TYR 11 25.204 9.919 -16.513 88 HE2 TYR 11 HE2 TYR 11 25.680 12.338 -12.994 89 HH TYR 11 HH TYR 11 27.453 10.998 -15.135 90 H GLU 12 H GLU 12 21.544 6.516 -11.012 91 HA GLU 12 HA GLU 12 18.667 6.723 -11.062 92 1HB GLU 12 2HB GLU 12 20.631 4.755 -10.378 93 2HB GLU 12 1HB GLU 12 19.515 4.907 -9.022 94 1HG GLU 12 2HG GLU 12 18.483 4.694 -11.848 95 2HG GLU 12 1HG GLU 12 18.899 3.251 -10.924 96 H ASN 13 H ASN 13 17.457 7.984 -9.743 97 HA ASN 13 HA ASN 13 18.497 9.496 -7.571 98 1HB ASN 13 2HB ASN 13 15.725 8.738 -8.459 99 2HB ASN 13 1HB ASN 13 15.954 9.586 -6.930 100 1HD2 ASN 13 1HD2 ASN 13 14.790 10.550 -9.599 101 2HD2 ASN 13 2HD2 ASN 13 15.679 11.951 -9.961 102 HA PRO 14 HA PRO 14 18.896 6.963 -4.008 103 1HB PRO 14 2HB PRO 14 16.664 8.580 -2.832 104 2HB PRO 14 1HB PRO 14 18.244 8.168 -2.137 105 1HG PRO 14 2HG PRO 14 17.715 10.583 -3.189 106 2HG PRO 14 1HG PRO 14 19.322 9.842 -3.250 107 1HD PRO 14 2HD PRO 14 17.412 10.309 -5.450 108 2HD PRO 14 1HD PRO 14 19.156 9.977 -5.526 109 H ARG 15 H ARG 15 15.949 7.222 -5.725 110 HA ARG 15 HA ARG 15 14.373 5.380 -4.131 111 1HB ARG 15 2HB ARG 15 14.149 6.401 -6.969 112 2HB ARG 15 1HB ARG 15 13.014 5.227 -6.301 113 1HG ARG 15 2HG ARG 15 12.331 6.754 -4.572 114 2HG ARG 15 1HG ARG 15 13.622 7.886 -4.987 115 1HD ARG 15 2HD ARG 15 12.256 7.498 -7.389 116 2HD ARG 15 1HD ARG 15 10.975 7.580 -6.182 117 HE ARG 15 HE ARG 15 12.267 9.831 -7.175 118 1HH1 ARG 15 1HH2 ARG 15 11.945 8.298 -4.098 119 2HH1 ARG 15 2HH2 ARG 15 12.205 9.756 -3.202 120 1HH2 ARG 15 2HH1 ARG 15 12.596 11.735 -6.019 121 2HH2 ARG 15 1HH1 ARG 15 12.572 11.698 -4.288 122 H ASN 16 H ASN 16 14.261 3.156 -4.298 123 HA ASN 16 HA ASN 16 16.198 1.885 -6.184 124 1HB ASN 16 2HB ASN 16 14.972 0.358 -3.928 125 2HB ASN 16 1HB ASN 16 16.600 0.254 -4.600 126 1HD2 ASN 16 1HD2 ASN 16 15.065 1.174 -1.834 127 2HD2 ASN 16 2HD2 ASN 16 16.114 2.400 -1.306 128 H VAL 17 H VAL 17 12.890 2.366 -5.618 129 HA VAL 17 HA VAL 17 12.073 -0.171 -6.905 130 HB VAL 17 HB VAL 17 10.398 2.168 -5.937 131 1HG1 VAL 17 1HG1 VAL 17 8.700 0.129 -5.927 132 2HG1 VAL 17 2HG1 VAL 17 9.791 -0.498 -7.161 133 3HG1 VAL 17 3HG1 VAL 17 8.986 1.052 -7.402 134 1HG2 VAL 17 1HG2 VAL 17 9.956 -0.065 -4.323 135 2HG2 VAL 17 2HG2 VAL 17 10.903 1.357 -3.885 136 3HG2 VAL 17 3HG2 VAL 17 11.702 -0.060 -4.567 137 H GLY 18 H GLY 18 10.294 0.162 -8.674 138 1HA GLY 18 2HA GLY 18 9.821 2.236 -10.329 139 2HA GLY 18 1HA GLY 18 11.499 1.883 -10.749 140 H SER 19 H SER 19 10.685 -1.043 -9.963 141 HA SER 19 HA SER 19 8.810 -2.259 -11.494 142 1HB SER 19 2HB SER 19 9.173 -1.251 -13.548 143 2HB SER 19 1HB SER 19 10.899 -1.049 -13.262 144 HG SER 19 HG SER 19 10.002 -2.799 -14.776 145 H LEU 20 H LEU 20 9.402 -4.522 -12.148 146 HA LEU 20 HA LEU 20 11.840 -5.407 -10.659 147 1HB LEU 20 2HB LEU 20 9.080 -6.380 -10.749 148 2HB LEU 20 1HB LEU 20 10.261 -7.658 -11.040 149 HG LEU 20 HG LEU 20 10.720 -5.722 -8.791 150 1HD1 LEU 20 1HD1 LEU 20 8.501 -7.621 -9.020 151 2HD1 LEU 20 2HD1 LEU 20 8.772 -6.353 -7.824 152 3HD1 LEU 20 3HD1 LEU 20 9.524 -7.936 -7.618 153 1HD2 LEU 20 1HD2 LEU 20 11.238 -8.588 -8.439 154 2HD2 LEU 20 2HD2 LEU 20 12.328 -7.218 -8.224 155 3HD2 LEU 20 3HD2 LEU 20 12.084 -7.907 -9.829 156 H ASP 21 H ASP 21 13.236 -5.196 -12.503 157 HA ASP 21 HA ASP 21 14.300 -5.985 -14.440 158 1HB ASP 21 2HB ASP 21 12.870 -8.336 -13.312 159 2HB ASP 21 1HB ASP 21 13.405 -8.475 -14.987 160 H LYS 22 H LYS 22 13.633 -4.899 -16.243 161 HA LYS 22 HA LYS 22 10.959 -4.696 -17.167 162 1HB LYS 22 2HB LYS 22 11.840 -3.626 -19.063 163 2HB LYS 22 1HB LYS 22 13.090 -3.349 -17.850 164 1HG LYS 22 2HG LYS 22 14.145 -5.545 -18.719 165 2HG LYS 22 1HG LYS 22 13.085 -5.343 -20.114 166 1HD LYS 22 2HD LYS 22 14.068 -2.876 -20.078 167 2HD LYS 22 1HD LYS 22 15.404 -3.666 -19.238 168 1HE LYS 22 2HE LYS 22 15.786 -3.621 -21.681 169 2HE LYS 22 1HE LYS 22 15.628 -5.275 -21.090 170 1HZ LYS 22 1HZ LYS 22 14.178 -4.129 -23.103 171 2HZ LYS 22 2HZ LYS 22 13.105 -4.142 -21.784 172 3HZ LYS 22 3HZ LYS 22 13.822 -5.589 -22.316 173 H LYS 23 H LYS 23 12.636 -7.466 -16.899 174 HA LYS 23 HA LYS 23 12.503 -8.836 -19.336 175 1HB LYS 23 2HB LYS 23 13.474 -9.999 -17.518 176 2HB LYS 23 1HB LYS 23 12.063 -9.743 -16.492 177 1HG LYS 23 2HG LYS 23 10.747 -11.289 -17.765 178 2HG LYS 23 1HG LYS 23 11.963 -11.375 -19.038 179 1HD LYS 23 2HD LYS 23 13.557 -12.231 -17.187 180 2HD LYS 23 1HD LYS 23 12.090 -12.511 -16.247 181 1HE LYS 23 2HE LYS 23 13.171 -14.043 -18.479 182 2HE LYS 23 1HE LYS 23 11.924 -14.492 -17.315 183 1HZ LYS 23 1HZ LYS 23 10.525 -12.803 -18.705 184 2HZ LYS 23 2HZ LYS 23 10.713 -14.408 -19.229 185 3HZ LYS 23 3HZ LYS 23 11.651 -13.171 -19.919 186 H ASP 24 H ASP 24 9.886 -7.874 -17.208 187 HA ASP 24 HA ASP 24 7.580 -7.759 -17.749 188 1HB ASP 24 2HB ASP 24 8.684 -7.974 -20.223 189 2HB ASP 24 1HB ASP 24 7.805 -9.500 -20.137 190 H SER 25 H SER 25 6.307 -10.100 -19.154 191 HA SER 25 HA SER 25 5.588 -12.289 -18.647 192 1HB SER 25 2HB SER 25 7.544 -12.674 -16.451 193 2HB SER 25 1HB SER 25 7.119 -13.750 -17.779 194 HG SER 25 HG SER 25 8.505 -12.710 -19.080 195 H ASN 26 H ASN 26 5.260 -9.646 -16.896 196 HA ASN 26 HA ASN 26 3.135 -10.567 -15.283 197 1HB ASN 26 2HB ASN 26 4.400 -10.246 -13.014 198 2HB ASN 26 1HB ASN 26 4.533 -11.792 -13.852 199 1HD2 ASN 26 1HD2 ASN 26 6.369 -9.267 -12.490 200 2HD2 ASN 26 2HD2 ASN 26 7.859 -9.634 -13.214 201 H VAL 27 H VAL 27 5.712 -8.250 -15.795 202 HA VAL 27 HA VAL 27 4.239 -6.147 -14.325 203 HB VAL 27 HB VAL 27 6.828 -5.974 -15.895 204 1HG1 VAL 27 1HG1 VAL 27 6.520 -3.757 -15.595 205 2HG1 VAL 27 2HG1 VAL 27 6.750 -4.047 -13.870 206 3HG1 VAL 27 3HG1 VAL 27 5.123 -4.026 -14.552 207 1HG2 VAL 27 1HG2 VAL 27 7.911 -6.090 -13.678 208 2HG2 VAL 27 2HG2 VAL 27 6.975 -7.551 -13.994 209 3HG2 VAL 27 3HG2 VAL 27 6.335 -6.309 -12.917 210 H GLY 28 H GLY 28 2.615 -5.142 -15.399 211 1HA GLY 28 2HA GLY 28 2.694 -5.015 -18.361 212 2HA GLY 28 1HA GLY 28 1.295 -4.643 -17.351 213 H THR 29 H THR 29 3.564 -3.227 -19.286 214 HA THR 29 HA THR 29 3.829 -0.759 -17.669 215 HB THR 29 HB THR 29 4.886 -1.318 -20.453 216 HG1 THR 29 HG1 THR 29 6.317 -2.499 -19.511 217 1HG2 THR 29 1HG2 THR 29 5.531 0.831 -20.355 218 2HG2 THR 29 2HG2 THR 29 6.520 0.438 -18.949 219 3HG2 THR 29 3HG2 THR 29 4.859 0.988 -18.732 220 H GLY 30 H GLY 30 2.684 1.093 -18.104 221 1HA GLY 30 2HA GLY 30 1.088 1.214 -20.615 222 2HA GLY 30 1HA GLY 30 0.260 1.423 -19.070 223 H MET 31 H MET 31 1.912 3.043 -21.536 224 HA MET 31 HA MET 31 2.182 5.453 -19.784 225 1HB MET 31 2HB MET 31 4.414 4.793 -20.337 226 2HB MET 31 1HB MET 31 3.978 4.483 -22.018 227 1HG MET 31 2HG MET 31 3.871 6.748 -22.549 228 2HG MET 31 1HG MET 31 3.559 7.228 -20.882 229 1HE MET 31 1HE MET 31 4.927 8.984 -20.748 230 2HE MET 31 2HE MET 31 5.816 9.029 -22.268 231 3HE MET 31 3HE MET 31 6.695 9.050 -20.742 232 H VAL 32 H VAL 32 0.806 7.034 -20.415 233 HA VAL 32 HA VAL 32 0.047 7.159 -23.307 234 HB VAL 32 HB VAL 32 -2.137 8.196 -22.329 235 1HG1 VAL 32 1HG1 VAL 32 -1.537 5.240 -21.991 236 2HG1 VAL 32 2HG1 VAL 32 -2.004 6.022 -23.503 237 3HG1 VAL 32 3HG1 VAL 32 -3.141 5.953 -22.158 238 1HG2 VAL 32 1HG2 VAL 32 -0.739 7.729 -19.950 239 2HG2 VAL 32 2HG2 VAL 32 -1.932 6.432 -20.015 240 3HG2 VAL 32 3HG2 VAL 32 -2.455 8.116 -20.092 241 H GLY 33 H GLY 33 -1.290 9.543 -23.336 242 1HA GLY 33 2HA GLY 33 -0.238 11.696 -21.851 243 2HA GLY 33 1HA GLY 33 0.840 11.465 -23.230 244 H ALA 34 H ALA 34 -1.102 13.680 -22.605 245 HA ALA 34 HA ALA 34 -2.929 13.388 -24.942 246 1HB ALA 34 1HB ALA 34 -3.039 15.587 -22.877 247 2HB ALA 34 2HB ALA 34 -3.803 14.021 -22.601 248 3HB ALA 34 3HB ALA 34 -4.322 15.031 -23.950 249 HA PRO 35 HA PRO 35 -0.185 16.251 -27.010 250 1HB PRO 35 2HB PRO 35 -1.692 16.688 -29.236 251 2HB PRO 35 1HB PRO 35 -0.799 15.180 -28.961 252 1HG PRO 35 2HG PRO 35 -3.694 15.756 -28.617 253 2HG PRO 35 1HG PRO 35 -2.895 14.295 -29.220 254 1HD PRO 35 2HD PRO 35 -3.891 14.557 -26.655 255 2HD PRO 35 1HD PRO 35 -2.589 13.435 -27.108 256 H ALA 36 H ALA 36 -3.548 17.009 -26.319 257 HA ALA 36 HA ALA 36 -3.948 19.579 -27.151 258 1HB ALA 36 1HB ALA 36 -5.502 18.388 -25.639 259 2HB ALA 36 2HB ALA 36 -5.166 20.017 -25.049 260 3HB ALA 36 3HB ALA 36 -4.378 18.628 -24.300 261 H CYS 37 H CYS 37 -2.738 19.316 -23.820 262 HA CYS 37 HA CYS 37 -1.043 21.699 -24.357 263 1HB CYS 37 2HB CYS 37 -1.764 20.401 -21.711 264 2HB CYS 37 1HB CYS 37 -0.952 21.952 -21.928 265 HG CYS 37 HG CYS 37 -3.132 23.037 -22.443 266 H GLY 38 H GLY 38 -0.658 18.490 -24.596 267 1HA GLY 38 2HA GLY 38 1.315 17.211 -24.762 268 2HA GLY 38 1HA GLY 38 2.230 18.645 -24.298 269 H ASP 39 H ASP 39 -0.340 16.824 -22.604 270 HA ASP 39 HA ASP 39 1.303 16.908 -20.151 271 1HB ASP 39 2HB ASP 39 -1.551 16.369 -20.810 272 2HB ASP 39 1HB ASP 39 -0.895 15.545 -19.396 273 H VAL 40 H VAL 40 2.543 15.201 -19.520 274 HA VAL 40 HA VAL 40 2.263 12.656 -21.029 275 HB VAL 40 HB VAL 40 4.456 13.566 -19.139 276 1HG1 VAL 40 1HG1 VAL 40 5.490 11.658 -20.830 277 2HG1 VAL 40 2HG1 VAL 40 3.854 11.057 -20.560 278 3HG1 VAL 40 3HG1 VAL 40 4.925 11.344 -19.189 279 1HG2 VAL 40 1HG2 VAL 40 4.865 13.289 -22.079 280 2HG2 VAL 40 2HG2 VAL 40 5.591 14.429 -20.947 281 3HG2 VAL 40 3HG2 VAL 40 3.947 14.692 -21.532 282 H MET 41 H MET 41 1.465 10.849 -20.055 283 HA MET 41 HA MET 41 1.216 10.870 -17.075 284 1HB MET 41 2HB MET 41 -0.993 11.297 -17.945 285 2HB MET 41 1HB MET 41 -0.830 10.009 -19.139 286 1HG MET 41 2HG MET 41 -1.339 8.387 -17.633 287 2HG MET 41 1HG MET 41 -0.379 9.140 -16.359 288 1HE MET 41 1HE MET 41 -3.194 8.758 -14.395 289 2HE MET 41 2HE MET 41 -2.301 7.756 -15.535 290 3HE MET 41 3HE MET 41 -4.006 8.096 -15.820 291 H GLN 42 H GLN 42 2.040 9.045 -16.135 292 HA GLN 42 HA GLN 42 2.480 6.672 -17.902 293 1HB GLN 42 2HB GLN 42 4.565 8.033 -17.274 294 2HB GLN 42 1HB GLN 42 4.307 7.461 -15.626 295 1HG GLN 42 2HG GLN 42 4.902 5.305 -16.133 296 2HG GLN 42 1HG GLN 42 4.245 5.396 -17.768 297 1HE2 GLN 42 1HE2 GLN 42 7.008 4.533 -16.813 298 2HE2 GLN 42 2HE2 GLN 42 8.088 5.509 -17.687 299 H LEU 43 H LEU 43 2.012 4.674 -16.989 300 HA LEU 43 HA LEU 43 1.332 4.537 -14.109 301 1HB LEU 43 2HB LEU 43 -0.737 5.119 -15.581 302 2HB LEU 43 1HB LEU 43 -0.623 3.446 -16.127 303 HG LEU 43 HG LEU 43 -0.375 3.155 -13.412 304 1HD1 LEU 43 1HD1 LEU 43 -0.913 5.653 -13.264 305 2HD1 LEU 43 2HD1 LEU 43 -1.931 4.585 -12.300 306 3HD1 LEU 43 3HD1 LEU 43 -2.532 5.235 -13.826 307 1HD2 LEU 43 1HD2 LEU 43 -2.631 2.269 -13.505 308 2HD2 LEU 43 2HD2 LEU 43 -1.845 1.918 -15.044 309 3HD2 LEU 43 3HD2 LEU 43 -3.001 3.244 -14.928 310 H GLN 44 H GLN 44 1.224 2.286 -13.357 311 HA GLN 44 HA GLN 44 2.168 0.250 -15.301 312 1HB GLN 44 2HB GLN 44 3.878 1.548 -13.423 313 2HB GLN 44 1HB GLN 44 3.636 -0.107 -12.863 314 1HG GLN 44 2HG GLN 44 4.211 -0.921 -15.155 315 2HG GLN 44 1HG GLN 44 4.570 0.742 -15.620 316 1HE2 GLN 44 1HE2 GLN 44 6.181 1.857 -13.929 317 2HE2 GLN 44 2HE2 GLN 44 7.500 0.897 -13.457 318 H ILE 45 H ILE 45 1.705 -1.911 -14.626 319 HA ILE 45 HA ILE 45 0.228 -2.230 -12.067 320 HB ILE 45 HB ILE 45 -1.595 -3.446 -13.223 321 1HG1 ILE 45 2HG1 ILE 45 -1.420 -2.629 -15.864 322 2HG1 ILE 45 1HG1 ILE 45 0.243 -3.077 -15.481 323 1HG2 ILE 45 1HG2 ILE 45 -1.102 -0.654 -14.306 324 2HG2 ILE 45 2HG2 ILE 45 -1.853 -1.037 -12.757 325 3HG2 ILE 45 3HG2 ILE 45 -2.663 -1.474 -14.261 326 1HD1 ILE 45 1HD1 ILE 45 -2.236 -4.794 -15.243 327 2HD1 ILE 45 2HD1 ILE 45 -0.699 -5.232 -14.497 328 3HD1 ILE 45 3HD1 ILE 45 -0.816 -5.080 -16.250 329 H LYS 46 H LYS 46 0.567 -4.255 -11.151 330 HA LYS 46 HA LYS 46 2.255 -6.136 -12.751 331 1HB LYS 46 2HB LYS 46 3.203 -5.032 -10.619 332 2HB LYS 46 1HB LYS 46 2.091 -6.079 -9.737 333 1HG LYS 46 2HG LYS 46 3.085 -8.047 -10.931 334 2HG LYS 46 1HG LYS 46 4.280 -6.959 -11.639 335 1HD LYS 46 2HD LYS 46 3.846 -7.231 -8.654 336 2HD LYS 46 1HD LYS 46 5.058 -8.150 -9.545 337 1HE LYS 46 2HE LYS 46 5.926 -5.909 -10.408 338 2HE LYS 46 1HE LYS 46 4.894 -5.150 -9.196 339 1HZ LYS 46 1HZ LYS 46 7.227 -5.577 -8.475 340 2HZ LYS 46 2HZ LYS 46 6.897 -7.242 -8.558 341 3HZ LYS 46 3HZ LYS 46 6.043 -6.258 -7.467 342 H VAL 47 H VAL 47 1.715 -8.355 -12.706 343 HA VAL 47 HA VAL 47 -0.969 -8.963 -11.530 344 HB VAL 47 HB VAL 47 0.310 -10.327 -13.913 345 1HG1 VAL 47 1HG1 VAL 47 -1.926 -11.206 -14.276 346 2HG1 VAL 47 2HG1 VAL 47 -2.563 -10.232 -12.950 347 3HG1 VAL 47 3HG1 VAL 47 -1.449 -11.557 -12.615 348 1HG2 VAL 47 1HG2 VAL 47 -1.743 -8.090 -13.832 349 2HG2 VAL 47 2HG2 VAL 47 -1.250 -8.966 -15.282 350 3HG2 VAL 47 3HG2 VAL 47 -0.089 -7.951 -14.427 351 H ASP 48 H ASP 48 -1.194 -10.981 -10.460 352 HA ASP 48 HA ASP 48 1.350 -12.095 -9.458 353 1HB ASP 48 2HB ASP 48 -0.190 -11.807 -7.709 354 2HB ASP 48 1HB ASP 48 -1.546 -12.372 -8.686 355 H ASP 49 H ASP 49 -1.680 -13.510 -10.739 356 HA ASP 49 HA ASP 49 -0.616 -15.056 -12.793 357 1HB ASP 49 2HB ASP 49 0.868 -16.305 -11.508 358 2HB ASP 49 1HB ASP 49 -0.164 -16.249 -10.078 359 H ASN 50 H ASN 50 -2.878 -14.725 -10.176 360 HA ASN 50 HA ASN 50 -4.816 -16.519 -11.550 361 1HB ASN 50 2HB ASN 50 -5.332 -15.091 -8.948 362 2HB ASN 50 1HB ASN 50 -6.009 -16.614 -9.527 363 1HD2 ASN 50 1HD2 ASN 50 -2.954 -15.142 -8.354 364 2HD2 ASN 50 2HD2 ASN 50 -2.276 -16.603 -7.818 365 H GLY 51 H GLY 51 -3.954 -13.706 -12.389 366 1HA GLY 51 2HA GLY 51 -5.136 -12.030 -13.572 367 2HA GLY 51 1HA GLY 51 -6.647 -12.775 -13.047 368 H ILE 52 H ILE 52 -4.417 -12.215 -10.518 369 HA ILE 52 HA ILE 52 -6.079 -9.908 -9.615 370 HB ILE 52 HB ILE 52 -4.213 -11.647 -7.975 371 1HG1 ILE 52 2HG1 ILE 52 -6.036 -13.004 -8.895 372 2HG1 ILE 52 1HG1 ILE 52 -6.313 -12.726 -7.176 373 1HG2 ILE 52 1HG2 ILE 52 -6.337 -9.597 -7.290 374 2HG2 ILE 52 2HG2 ILE 52 -4.614 -9.511 -6.927 375 3HG2 ILE 52 3HG2 ILE 52 -5.630 -10.696 -6.106 376 1HD1 ILE 52 1HD1 ILE 52 -7.600 -10.577 -8.163 377 2HD1 ILE 52 2HD1 ILE 52 -8.398 -12.133 -7.932 378 3HD1 ILE 52 3HD1 ILE 52 -7.803 -11.676 -9.528 379 H ILE 53 H ILE 53 -5.119 -7.930 -9.252 380 HA ILE 53 HA ILE 53 -2.391 -7.553 -10.242 381 HB ILE 53 HB ILE 53 -4.090 -5.471 -8.858 382 1HG1 ILE 53 2HG1 ILE 53 -4.196 -6.307 -11.777 383 2HG1 ILE 53 1HG1 ILE 53 -5.457 -6.629 -10.585 384 1HG2 ILE 53 1HG2 ILE 53 -2.865 -3.957 -10.356 385 2HG2 ILE 53 2HG2 ILE 53 -2.045 -5.333 -11.096 386 3HG2 ILE 53 3HG2 ILE 53 -1.735 -4.923 -9.408 387 1HD1 ILE 53 1HD1 ILE 53 -6.330 -4.641 -11.240 388 2HD1 ILE 53 2HD1 ILE 53 -4.827 -4.138 -12.014 389 3HD1 ILE 53 3HD1 ILE 53 -5.040 -3.922 -10.276 390 H GLU 54 H GLU 54 -0.951 -8.502 -8.776 391 HA GLU 54 HA GLU 54 -1.091 -8.519 -5.978 392 1HB GLU 54 2HB GLU 54 0.866 -9.120 -7.938 393 2HB GLU 54 1HB GLU 54 1.637 -8.035 -6.782 394 1HG GLU 54 2HG GLU 54 1.125 -9.477 -4.943 395 2HG GLU 54 1HG GLU 54 0.024 -10.448 -5.924 396 H ASP 55 H ASP 55 0.280 -5.996 -8.096 397 HA ASP 55 HA ASP 55 -0.406 -3.913 -6.210 398 1HB ASP 55 2HB ASP 55 2.184 -3.274 -6.088 399 2HB ASP 55 1HB ASP 55 1.445 -4.340 -4.892 400 H ALA 56 H ALA 56 0.134 -1.778 -7.079 401 HA ALA 56 HA ALA 56 1.192 -1.773 -9.857 402 1HB ALA 56 1HB ALA 56 -1.298 -1.945 -9.982 403 2HB ALA 56 2HB ALA 56 -0.688 -0.435 -10.659 404 3HB ALA 56 3HB ALA 56 -1.418 -0.450 -9.053 405 H LYS 57 H LYS 57 1.189 0.736 -10.561 406 HA LYS 57 HA LYS 57 1.756 2.510 -8.273 407 1HB LYS 57 2HB LYS 57 3.864 1.096 -9.084 408 2HB LYS 57 1HB LYS 57 3.914 2.335 -10.337 409 1HG LYS 57 2HG LYS 57 3.938 4.095 -8.617 410 2HG LYS 57 1HG LYS 57 3.859 2.869 -7.353 411 1HD LYS 57 2HD LYS 57 6.004 2.129 -9.054 412 2HD LYS 57 1HD LYS 57 6.174 3.859 -8.753 413 1HE LYS 57 2HE LYS 57 7.320 2.865 -6.944 414 2HE LYS 57 1HE LYS 57 5.740 3.262 -6.269 415 1HZ LYS 57 1HZ LYS 57 5.994 1.089 -5.630 416 2HZ LYS 57 2HZ LYS 57 6.826 0.643 -7.043 417 3HZ LYS 57 3HZ LYS 57 5.146 0.893 -7.086 418 H PHE 58 H PHE 58 2.392 4.759 -9.175 419 HA PHE 58 HA PHE 58 1.200 5.212 -11.869 420 1HB PHE 58 2HB PHE 58 -0.017 7.190 -10.954 421 2HB PHE 58 1HB PHE 58 -0.585 5.670 -10.261 422 HD1 PHE 58 HD1 PHE 58 0.851 8.899 -9.572 423 HD2 PHE 58 HD2 PHE 58 0.387 4.925 -8.011 424 HE1 PHE 58 HE1 PHE 58 1.407 9.727 -7.302 425 HE2 PHE 58 HE2 PHE 58 0.942 5.752 -5.739 426 HZ PHE 58 HZ PHE 58 1.452 8.154 -5.385 427 H LYS 59 H LYS 59 1.710 7.520 -12.613 428 HA LYS 59 HA LYS 59 3.848 8.972 -11.319 429 1HB LYS 59 2HB LYS 59 4.577 6.766 -13.051 430 2HB LYS 59 1HB LYS 59 5.152 8.292 -13.723 431 1HG LYS 59 2HG LYS 59 6.075 8.832 -11.419 432 2HG LYS 59 1HG LYS 59 5.710 7.166 -10.969 433 1HD LYS 59 2HD LYS 59 7.086 6.440 -12.979 434 2HD LYS 59 1HD LYS 59 7.610 8.117 -13.124 435 1HE LYS 59 2HE LYS 59 9.284 7.425 -11.727 436 2HE LYS 59 1HE LYS 59 8.068 7.709 -10.481 437 1HZ LYS 59 1HZ LYS 59 7.389 5.368 -10.733 438 2HZ LYS 59 2HZ LYS 59 8.992 5.537 -10.194 439 3HZ LYS 59 3HZ LYS 59 8.676 5.126 -11.812 440 H THR 60 H THR 60 2.265 10.634 -11.807 441 HA THR 60 HA THR 60 2.253 11.423 -14.694 442 HB THR 60 HB THR 60 0.028 11.922 -14.581 443 HG1 THR 60 HG1 THR 60 0.655 13.524 -12.877 444 1HG2 THR 60 1HG2 THR 60 0.500 9.594 -13.412 445 2HG2 THR 60 2HG2 THR 60 -1.130 10.267 -13.443 446 3HG2 THR 60 3HG2 THR 60 -0.137 10.426 -11.994 447 H TYR 61 H TYR 61 3.047 13.449 -15.134 448 HA TYR 61 HA TYR 61 3.202 15.448 -12.955 449 1HB TYR 61 2HB TYR 61 5.335 14.181 -12.836 450 2HB TYR 61 1HB TYR 61 5.638 14.562 -14.531 451 HD1 TYR 61 HD1 TYR 61 6.263 16.803 -15.235 452 HD2 TYR 61 HD2 TYR 61 5.384 15.945 -11.119 453 HE1 TYR 61 HE1 TYR 61 7.232 18.988 -14.571 454 HE2 TYR 61 HE2 TYR 61 6.353 18.128 -10.455 455 HH TYR 61 HH TYR 61 6.867 20.608 -12.504 456 H GLY 62 H GLY 62 2.033 17.027 -13.986 457 1HA GLY 62 2HA GLY 62 3.141 18.575 -16.069 458 2HA GLY 62 1HA GLY 62 2.017 17.444 -16.823 459 H CYS 63 H CYS 63 -0.050 17.297 -15.057 460 HA CYS 63 HA CYS 63 -0.899 20.135 -14.660 461 1HB CYS 63 2HB CYS 63 -3.180 19.451 -15.393 462 2HB CYS 63 1HB CYS 63 -1.985 19.280 -16.679 463 HG CYS 63 HG CYS 63 -2.600 16.749 -14.990 464 H GLY 64 H GLY 64 -1.380 20.455 -12.549 465 1HA GLY 64 2HA GLY 64 -1.645 18.255 -10.690 466 2HA GLY 64 1HA GLY 64 -1.890 19.959 -10.307 467 H SER 65 H SER 65 -3.500 17.359 -12.174 468 HA SER 65 HA SER 65 -6.040 18.052 -10.826 469 1HB SER 65 2HB SER 65 -5.407 18.867 -13.521 470 2HB SER 65 1HB SER 65 -6.733 17.708 -13.549 471 HG SER 65 HG SER 65 -7.859 19.416 -13.022 472 H ALA 66 H ALA 66 -4.584 16.037 -13.404 473 HA ALA 66 HA ALA 66 -6.442 13.879 -13.139 474 1HB ALA 66 1HB ALA 66 -4.434 12.537 -14.123 475 2HB ALA 66 2HB ALA 66 -3.643 14.109 -14.231 476 3HB ALA 66 3HB ALA 66 -5.148 13.817 -15.102 477 H ILE 67 H ILE 67 -3.628 14.807 -11.288 478 HA ILE 67 HA ILE 67 -2.816 12.460 -10.058 479 HB ILE 67 HB ILE 67 -3.358 15.105 -8.673 480 1HG1 ILE 67 2HG1 ILE 67 -0.832 14.012 -9.954 481 2HG1 ILE 67 1HG1 ILE 67 -1.873 15.243 -10.672 482 1HG2 ILE 67 1HG2 ILE 67 -2.753 13.970 -6.815 483 2HG2 ILE 67 2HG2 ILE 67 -1.146 13.840 -7.529 484 3HG2 ILE 67 3HG2 ILE 67 -2.318 12.540 -7.751 485 1HD1 ILE 67 1HD1 ILE 67 -0.168 15.438 -8.193 486 2HD1 ILE 67 2HD1 ILE 67 -1.526 16.534 -8.451 487 3HD1 ILE 67 3HD1 ILE 67 -0.188 16.500 -9.600 488 H ALA 68 H ALA 68 -5.567 14.487 -8.971 489 HA ALA 68 HA ALA 68 -6.493 12.826 -6.904 490 1HB ALA 68 1HB ALA 68 -8.846 13.701 -7.843 491 2HB ALA 68 2HB ALA 68 -7.789 14.771 -8.764 492 3HB ALA 68 3HB ALA 68 -7.728 14.774 -7.001 493 H SER 69 H SER 69 -7.097 12.602 -10.398 494 HA SER 69 HA SER 69 -8.854 10.303 -10.161 495 1HB SER 69 2HB SER 69 -9.241 11.214 -12.222 496 2HB SER 69 1HB SER 69 -7.611 11.870 -12.345 497 HG SER 69 HG SER 69 -7.578 9.171 -12.346 498 H SER 70 H SER 70 -5.398 10.781 -10.839 499 HA SER 70 HA SER 70 -4.805 8.019 -11.349 500 1HB SER 70 2HB SER 70 -3.355 10.187 -11.715 501 2HB SER 70 1HB SER 70 -2.809 9.864 -10.072 502 HG SER 70 HG SER 70 -2.606 8.236 -12.378 503 H SER 71 H SER 71 -5.334 9.847 -8.437 504 HA SER 71 HA SER 71 -4.039 7.941 -6.656 505 1HB SER 71 2HB SER 71 -4.233 10.115 -5.754 506 2HB SER 71 1HB SER 71 -5.908 10.277 -6.270 507 HG SER 71 HG SER 71 -6.242 9.693 -4.259 508 H LEU 72 H LEU 72 -7.417 8.639 -7.577 509 HA LEU 72 HA LEU 72 -8.577 6.571 -5.962 510 1HB LEU 72 2HB LEU 72 -9.866 8.456 -6.972 511 2HB LEU 72 1HB LEU 72 -9.625 7.732 -8.563 512 HG LEU 72 HG LEU 72 -10.599 5.583 -7.282 513 1HD1 LEU 72 1HD1 LEU 72 -10.904 6.608 -5.129 514 2HD1 LEU 72 2HD1 LEU 72 -12.509 6.429 -5.839 515 3HD1 LEU 72 3HD1 LEU 72 -11.713 8.003 -5.842 516 1HD2 LEU 72 1HD2 LEU 72 -11.533 6.528 -9.333 517 2HD2 LEU 72 2HD2 LEU 72 -12.215 7.882 -8.432 518 3HD2 LEU 72 3HD2 LEU 72 -12.838 6.251 -8.179 519 H ILE 73 H ILE 73 -8.030 6.626 -9.508 520 HA ILE 73 HA ILE 73 -8.644 3.958 -10.060 521 HB ILE 73 HB ILE 73 -8.010 5.709 -11.751 522 1HG1 ILE 73 2HG1 ILE 73 -6.402 3.141 -11.944 523 2HG1 ILE 73 1HG1 ILE 73 -8.125 3.264 -12.297 524 1HG2 ILE 73 1HG2 ILE 73 -5.939 6.389 -10.435 525 2HG2 ILE 73 2HG2 ILE 73 -5.703 6.193 -12.172 526 3HG2 ILE 73 3HG2 ILE 73 -5.168 4.932 -11.060 527 1HD1 ILE 73 1HD1 ILE 73 -7.756 4.221 -14.318 528 2HD1 ILE 73 2HD1 ILE 73 -6.099 3.646 -14.135 529 3HD1 ILE 73 3HD1 ILE 73 -6.515 5.296 -13.673 530 H THR 74 H THR 74 -5.534 5.282 -8.918 531 HA THR 74 HA THR 74 -4.017 2.904 -8.981 532 HB THR 74 HB THR 74 -2.946 4.020 -6.825 533 HG1 THR 74 HG1 THR 74 -4.413 5.509 -6.298 534 1HG2 THR 74 1HG2 THR 74 -2.926 4.928 -9.685 535 2HG2 THR 74 2HG2 THR 74 -1.664 4.104 -8.770 536 3HG2 THR 74 3HG2 THR 74 -1.983 5.815 -8.487 537 H GLU 75 H GLU 75 -6.230 4.099 -6.458 538 HA GLU 75 HA GLU 75 -5.733 1.848 -4.692 539 1HB GLU 75 2HB GLU 75 -8.099 3.745 -4.744 540 2HB GLU 75 1HB GLU 75 -7.607 2.720 -3.395 541 1HG GLU 75 2HG GLU 75 -5.332 4.248 -4.219 542 2HG GLU 75 1HG GLU 75 -6.694 5.353 -4.028 543 H TRP 76 H TRP 76 -7.687 2.337 -7.490 544 HA TRP 76 HA TRP 76 -9.531 0.137 -6.799 545 1HB TRP 76 2HB TRP 76 -9.411 2.270 -8.828 546 2HB TRP 76 1HB TRP 76 -10.005 0.727 -9.443 547 HD1 TRP 76 HD1 TRP 76 -10.579 1.806 -5.828 548 HE1 TRP 76 HE1 TRP 76 -13.106 2.142 -5.450 549 HE3 TRP 76 HE3 TRP 76 -12.264 1.298 -10.622 550 HZ2 TRP 76 HZ2 TRP 76 -15.522 2.191 -6.978 551 HZ3 TRP 76 HZ3 TRP 76 -14.681 1.494 -11.131 552 HH2 TRP 76 HH2 TRP 76 -16.311 1.939 -9.318 553 H VAL 77 H VAL 77 -6.561 0.635 -8.515 554 HA VAL 77 HA VAL 77 -6.800 -2.081 -9.736 555 HB VAL 77 HB VAL 77 -5.085 -1.428 -11.284 556 1HG1 VAL 77 1HG1 VAL 77 -6.955 0.917 -10.827 557 2HG1 VAL 77 2HG1 VAL 77 -7.326 -0.523 -11.774 558 3HG1 VAL 77 3HG1 VAL 77 -6.070 0.590 -12.317 559 1HG2 VAL 77 1HG2 VAL 77 -4.464 0.486 -9.156 560 2HG2 VAL 77 2HG2 VAL 77 -4.450 1.225 -10.757 561 3HG2 VAL 77 3HG2 VAL 77 -3.418 -0.164 -10.418 562 H LYS 78 H LYS 78 -6.395 -2.211 -7.067 563 HA LYS 78 HA LYS 78 -3.561 -3.093 -6.903 564 1HB LYS 78 2HB LYS 78 -4.017 -0.730 -5.870 565 2HB LYS 78 1HB LYS 78 -4.794 -1.640 -4.574 566 1HG LYS 78 2HG LYS 78 -2.724 -2.960 -4.268 567 2HG LYS 78 1HG LYS 78 -1.946 -2.021 -5.542 568 1HD LYS 78 2HD LYS 78 -3.218 -0.478 -3.339 569 2HD LYS 78 1HD LYS 78 -1.746 -1.362 -2.938 570 1HE LYS 78 2HE LYS 78 -0.440 -0.132 -4.418 571 2HE LYS 78 1HE LYS 78 -1.813 0.288 -5.442 572 1HZ LYS 78 1HZ LYS 78 -0.748 1.675 -3.191 573 2HZ LYS 78 2HZ LYS 78 -2.406 1.362 -2.995 574 3HZ LYS 78 3HZ LYS 78 -1.854 2.210 -4.361 575 H GLY 79 H GLY 79 -4.606 -5.220 -7.090 576 1HA GLY 79 2HA GLY 79 -4.859 -7.158 -5.605 577 2HA GLY 79 1HA GLY 79 -5.704 -6.112 -4.463 578 H LYS 80 H LYS 80 -6.742 -5.303 -7.523 579 HA LYS 80 HA LYS 80 -9.189 -6.964 -7.154 580 1HB LYS 80 2HB LYS 80 -8.631 -4.321 -8.474 581 2HB LYS 80 1HB LYS 80 -10.039 -5.263 -8.966 582 1HG LYS 80 2HG LYS 80 -9.558 -4.874 -6.039 583 2HG LYS 80 1HG LYS 80 -10.196 -3.515 -6.966 584 1HD LYS 80 2HD LYS 80 -12.214 -4.517 -7.291 585 2HD LYS 80 1HD LYS 80 -11.494 -6.110 -7.520 586 1HE LYS 80 2HE LYS 80 -11.665 -4.759 -4.818 587 2HE LYS 80 1HE LYS 80 -12.908 -5.854 -5.422 588 1HZ LYS 80 1HZ LYS 80 -11.153 -6.904 -4.011 589 2HZ LYS 80 2HZ LYS 80 -10.040 -6.588 -5.255 590 3HZ LYS 80 3HZ LYS 80 -11.362 -7.619 -5.536 591 H SER 81 H SER 81 -10.203 -6.937 -9.726 592 HA SER 81 HA SER 81 -8.226 -8.674 -11.127 593 1HB SER 81 2HB SER 81 -11.151 -8.447 -11.821 594 2HB SER 81 1HB SER 81 -10.049 -9.787 -12.129 595 HG SER 81 HG SER 81 -10.162 -10.373 -10.044 596 H LEU 82 H LEU 82 -7.552 -8.183 -13.204 597 HA LEU 82 HA LEU 82 -7.660 -5.495 -14.120 598 1HB LEU 82 2HB LEU 82 -6.802 -8.106 -15.266 599 2HB LEU 82 1HB LEU 82 -7.107 -6.800 -16.411 600 HG LEU 82 HG LEU 82 -5.353 -6.479 -13.964 601 1HD1 LEU 82 1HD1 LEU 82 -4.714 -7.362 -16.776 602 2HD1 LEU 82 2HD1 LEU 82 -4.171 -8.063 -15.252 603 3HD1 LEU 82 3HD1 LEU 82 -3.514 -6.519 -15.797 604 1HD2 LEU 82 1HD2 LEU 82 -6.182 -4.793 -16.285 605 2HD2 LEU 82 2HD2 LEU 82 -4.514 -4.638 -15.730 606 3HD2 LEU 82 3HD2 LEU 82 -5.847 -4.322 -14.619 607 H GLU 83 H GLU 83 -9.887 -8.135 -14.517 608 HA GLU 83 HA GLU 83 -11.265 -7.013 -16.823 609 1HB GLU 83 2HB GLU 83 -12.061 -9.123 -14.797 610 2HB GLU 83 1HB GLU 83 -13.039 -8.692 -16.201 611 1HG GLU 83 2HG GLU 83 -11.200 -9.312 -17.702 612 2HG GLU 83 1HG GLU 83 -10.176 -9.690 -16.315 613 H GLU 84 H GLU 84 -11.197 -6.300 -13.489 614 HA GLU 84 HA GLU 84 -13.919 -5.120 -13.518 615 1HB GLU 84 2HB GLU 84 -11.879 -5.690 -11.382 616 2HB GLU 84 1HB GLU 84 -13.165 -4.519 -11.081 617 1HG GLU 84 2HG GLU 84 -14.863 -6.196 -11.600 618 2HG GLU 84 1HG GLU 84 -13.613 -7.369 -12.016 619 H ALA 85 H ALA 85 -10.510 -4.172 -13.387 620 HA ALA 85 HA ALA 85 -11.331 -1.311 -13.346 621 1HB ALA 85 1HB ALA 85 -9.192 -2.719 -12.161 622 2HB ALA 85 2HB ALA 85 -9.440 -0.973 -12.169 623 3HB ALA 85 3HB ALA 85 -8.470 -1.733 -13.432 624 H GLY 86 H GLY 86 -10.905 -3.637 -15.604 625 1HA GLY 86 2HA GLY 86 -9.629 -1.757 -17.551 626 2HA GLY 86 1HA GLY 86 -9.580 -3.514 -17.707 627 H ALA 87 H ALA 87 -12.515 -1.941 -16.662 628 HA ALA 87 HA ALA 87 -13.666 -1.818 -19.349 629 1HB ALA 87 1HB ALA 87 -15.149 -3.688 -17.566 630 2HB ALA 87 2HB ALA 87 -13.683 -4.310 -18.325 631 3HB ALA 87 3HB ALA 87 -14.999 -3.691 -19.323 632 H ILE 88 H ILE 88 -13.314 -0.344 -16.645 633 HA ILE 88 HA ILE 88 -16.126 0.153 -15.904 634 HB ILE 88 HB ILE 88 -14.777 1.969 -14.461 635 1HG1 ILE 88 2HG1 ILE 88 -12.734 -0.230 -14.820 636 2HG1 ILE 88 1HG1 ILE 88 -12.662 1.267 -15.749 637 1HG2 ILE 88 1HG2 ILE 88 -14.265 -0.197 -12.930 638 2HG2 ILE 88 2HG2 ILE 88 -15.358 -0.924 -14.107 639 3HG2 ILE 88 3HG2 ILE 88 -15.889 0.456 -13.146 640 1HD1 ILE 88 1HD1 ILE 88 -12.908 2.406 -13.389 641 2HD1 ILE 88 2HD1 ILE 88 -11.333 1.809 -13.912 642 3HD1 ILE 88 3HD1 ILE 88 -12.311 0.856 -12.796 643 H LYS 89 H LYS 89 -14.248 1.116 -18.394 644 HA LYS 89 HA LYS 89 -14.296 2.956 -19.848 645 1HB LYS 89 2HB LYS 89 -16.962 3.142 -18.448 646 2HB LYS 89 1HB LYS 89 -16.480 4.339 -19.651 647 1HG LYS 89 2HG LYS 89 -16.634 2.858 -21.390 648 2HG LYS 89 1HG LYS 89 -16.095 1.493 -20.411 649 1HD LYS 89 2HD LYS 89 -18.257 1.254 -19.399 650 2HD LYS 89 1HD LYS 89 -18.811 2.786 -20.073 651 1HE LYS 89 2HE LYS 89 -18.692 1.885 -22.334 652 2HE LYS 89 1HE LYS 89 -18.005 0.378 -21.730 653 1HZ LYS 89 1HZ LYS 89 -20.270 0.702 -20.260 654 2HZ LYS 89 2HZ LYS 89 -20.095 -0.325 -21.602 655 3HZ LYS 89 3HZ LYS 89 -20.736 1.236 -21.801 656 H ASN 90 H ASN 90 -14.335 5.426 -19.846 657 HA ASN 90 HA ASN 90 -12.951 6.357 -17.421 658 1HB ASN 90 2HB ASN 90 -12.257 8.211 -18.715 659 2HB ASN 90 1HB ASN 90 -12.288 6.879 -19.870 660 1HD2 ASN 90 1HD2 ASN 90 -14.552 9.387 -18.578 661 2HD2 ASN 90 2HD2 ASN 90 -15.304 9.680 -20.071 662 H SER 91 H SER 91 -16.130 6.368 -18.644 663 HA SER 91 HA SER 91 -16.979 8.896 -17.478 664 1HB SER 91 2HB SER 91 -19.303 7.790 -17.795 665 2HB SER 91 1HB SER 91 -18.354 8.138 -19.238 666 HG SER 91 HG SER 91 -19.061 5.726 -18.095 667 H GLN 92 H GLN 92 -16.477 5.676 -16.293 668 HA GLN 92 HA GLN 92 -18.252 5.902 -14.001 669 1HB GLN 92 2HB GLN 92 -17.474 3.714 -14.950 670 2HB GLN 92 1HB GLN 92 -15.852 4.083 -14.361 671 1HG GLN 92 2HG GLN 92 -16.646 2.877 -12.556 672 2HG GLN 92 1HG GLN 92 -17.166 4.494 -12.079 673 1HE2 GLN 92 1HE2 GLN 92 -19.305 4.572 -14.190 674 2HE2 GLN 92 2HE2 GLN 92 -20.536 3.549 -13.622 675 H ILE 93 H ILE 93 -14.675 5.978 -14.305 676 HA ILE 93 HA ILE 93 -14.186 6.798 -11.626 677 HB ILE 93 HB ILE 93 -12.616 7.172 -14.183 678 1HG1 ILE 93 2HG1 ILE 93 -11.905 5.536 -11.750 679 2HG1 ILE 93 1HG1 ILE 93 -12.986 4.895 -12.988 680 1HG2 ILE 93 1HG2 ILE 93 -10.715 7.719 -12.532 681 2HG2 ILE 93 2HG2 ILE 93 -11.991 8.063 -11.365 682 3HG2 ILE 93 3HG2 ILE 93 -11.883 8.999 -12.857 683 1HD1 ILE 93 1HD1 ILE 93 -11.323 4.920 -14.639 684 2HD1 ILE 93 2HD1 ILE 93 -10.422 4.440 -13.202 685 3HD1 ILE 93 3HD1 ILE 93 -10.348 6.107 -13.773 686 H ALA 94 H ALA 94 -14.732 8.706 -14.583 687 HA ALA 94 HA ALA 94 -14.276 11.277 -13.447 688 1HB ALA 94 1HB ALA 94 -14.998 12.056 -15.462 689 2HB ALA 94 2HB ALA 94 -16.485 11.109 -15.400 690 3HB ALA 94 3HB ALA 94 -14.982 10.356 -15.932 691 H GLU 95 H GLU 95 -17.165 9.220 -13.517 692 HA GLU 95 HA GLU 95 -18.958 11.138 -12.358 693 1HB GLU 95 2HB GLU 95 -19.287 8.669 -13.421 694 2HB GLU 95 1HB GLU 95 -19.347 8.265 -11.706 695 1HG GLU 95 2HG GLU 95 -21.099 9.968 -11.360 696 2HG GLU 95 1HG GLU 95 -21.045 10.370 -13.078 697 H GLU 96 H GLU 96 -16.978 8.545 -10.905 698 HA GLU 96 HA GLU 96 -17.751 8.795 -8.231 699 1HB GLU 96 2HB GLU 96 -14.989 8.312 -9.385 700 2HB GLU 96 1HB GLU 96 -15.389 8.110 -7.677 701 1HG GLU 96 2HG GLU 96 -17.361 6.630 -8.680 702 2HG GLU 96 1HG GLU 96 -16.238 6.472 -10.030 703 H LEU 97 H LEU 97 -14.914 10.480 -9.642 704 HA LEU 97 HA LEU 97 -14.788 12.337 -7.417 705 1HB LEU 97 2HB LEU 97 -13.387 12.061 -10.059 706 2HB LEU 97 1HB LEU 97 -13.239 13.571 -9.159 707 HG LEU 97 HG LEU 97 -12.881 11.109 -7.555 708 1HD1 LEU 97 1HD1 LEU 97 -10.521 10.855 -8.352 709 2HD1 LEU 97 2HD1 LEU 97 -10.884 11.966 -9.672 710 3HD1 LEU 97 3HD1 LEU 97 -11.711 10.411 -9.576 711 1HD2 LEU 97 1HD2 LEU 97 -11.156 13.585 -7.834 712 2HD2 LEU 97 2HD2 LEU 97 -11.213 12.463 -6.474 713 3HD2 LEU 97 3HD2 LEU 97 -12.584 13.522 -6.803 714 H GLU 98 H GLU 98 -16.642 12.183 -10.300 715 HA GLU 98 HA GLU 98 -18.092 13.726 -11.317 716 1HB GLU 98 2HB GLU 98 -18.943 13.609 -8.904 717 2HB GLU 98 1HB GLU 98 -18.072 15.120 -8.633 718 1HG GLU 98 2HG GLU 98 -19.398 15.732 -10.925 719 2HG GLU 98 1HG GLU 98 -20.549 14.619 -10.183 720 H LEU 99 H LEU 99 -15.109 14.306 -11.132 721 HA LEU 99 HA LEU 99 -14.598 17.056 -10.782 722 1HB LEU 99 2HB LEU 99 -12.657 16.726 -12.221 723 2HB LEU 99 1HB LEU 99 -12.860 15.307 -11.194 724 HG LEU 99 HG LEU 99 -14.435 14.844 -13.501 725 1HD1 LEU 99 1HD1 LEU 99 -13.011 15.218 -15.348 726 2HD1 LEU 99 2HD1 LEU 99 -11.610 15.516 -14.318 727 3HD1 LEU 99 3HD1 LEU 99 -12.899 16.714 -14.422 728 1HD2 LEU 99 1HD2 LEU 99 -11.697 13.769 -12.749 729 2HD2 LEU 99 2HD2 LEU 99 -12.854 12.992 -13.829 730 3HD2 LEU 99 3HD2 LEU 99 -13.230 13.170 -12.115 731 HA PRO 100 HA PRO 100 -16.828 19.363 -13.800 732 1HB PRO 100 2HB PRO 100 -14.137 20.390 -14.620 733 2HB PRO 100 1HB PRO 100 -15.619 21.290 -14.241 734 1HG PRO 100 2HG PRO 100 -13.570 21.082 -12.516 735 2HG PRO 100 1HG PRO 100 -15.256 21.207 -11.994 736 1HD PRO 100 2HD PRO 100 -13.439 18.887 -11.853 737 2HD PRO 100 1HD PRO 100 -14.951 19.191 -10.970 738 HA PRO 101 HA PRO 101 -16.330 16.983 -17.533 739 1HB PRO 101 2HB PRO 101 -17.961 18.419 -19.181 740 2HB PRO 101 1HB PRO 101 -18.578 17.374 -17.886 741 1HG PRO 101 2HG PRO 101 -18.254 20.331 -17.942 742 2HG PRO 101 1HG PRO 101 -19.555 19.350 -17.247 743 1HD PRO 101 2HD PRO 101 -17.535 20.465 -15.749 744 2HD PRO 101 1HD PRO 101 -18.416 18.996 -15.275 745 H VAL 102 H VAL 102 -15.712 20.454 -17.550 746 HA VAL 102 HA VAL 102 -14.570 20.556 -20.202 747 HB VAL 102 HB VAL 102 -13.876 22.408 -17.916 748 1HG1 VAL 102 1HG1 VAL 102 -13.089 23.792 -19.539 749 2HG1 VAL 102 2HG1 VAL 102 -14.428 23.426 -20.627 750 3HG1 VAL 102 3HG1 VAL 102 -13.044 22.336 -20.535 751 1HG2 VAL 102 1HG2 VAL 102 -16.406 22.194 -19.555 752 2HG2 VAL 102 2HG2 VAL 102 -15.901 23.726 -18.843 753 3HG2 VAL 102 3HG2 VAL 102 -16.244 22.342 -17.805 754 H LYS 103 H LYS 103 -13.554 18.427 -18.328 755 HA LYS 103 HA LYS 103 -10.746 18.683 -19.032 756 1HB LYS 103 2HB LYS 103 -11.335 19.977 -16.723 757 2HB LYS 103 1HB LYS 103 -11.041 18.355 -16.097 758 1HG LYS 103 2HG LYS 103 -8.897 18.380 -17.524 759 2HG LYS 103 1HG LYS 103 -9.158 20.118 -17.665 760 1HD LYS 103 2HD LYS 103 -9.476 19.831 -14.995 761 2HD LYS 103 1HD LYS 103 -8.344 18.513 -15.303 762 1HE LYS 103 2HE LYS 103 -7.943 21.388 -16.186 763 2HE LYS 103 1HE LYS 103 -7.171 20.642 -14.786 764 1HZ LYS 103 1HZ LYS 103 -6.674 20.215 -17.632 765 2HZ LYS 103 2HZ LYS 103 -6.520 18.870 -16.604 766 3HZ LYS 103 3HZ LYS 103 -5.581 20.262 -16.336 767 H VAL 104 H VAL 104 -12.862 16.784 -19.504 768 HA VAL 104 HA VAL 104 -12.563 14.506 -17.742 769 HB VAL 104 HB VAL 104 -13.432 14.364 -20.631 770 1HG1 VAL 104 1HG1 VAL 104 -14.530 12.423 -19.994 771 2HG1 VAL 104 2HG1 VAL 104 -14.714 12.953 -18.321 772 3HG1 VAL 104 3HG1 VAL 104 -13.151 12.374 -18.896 773 1HG2 VAL 104 1HG2 VAL 104 -14.640 15.850 -18.397 774 2HG2 VAL 104 2HG2 VAL 104 -15.741 14.700 -19.156 775 3HG2 VAL 104 3HG2 VAL 104 -14.971 15.957 -20.126 776 H HIS 105 H HIS 105 -10.344 15.911 -19.710 777 HA HIS 105 HA HIS 105 -9.224 13.778 -21.213 778 1HB HIS 105 2HB HIS 105 -8.067 16.269 -19.972 779 2HB HIS 105 1HB HIS 105 -7.022 15.104 -20.785 780 HD2 HIS 105 HD2 HIS 105 -7.549 14.814 -23.618 781 HE1 HIS 105 HE1 HIS 105 -9.976 18.261 -23.873 782 HE2 HIS 105 HE2 HIS 105 -8.731 16.506 -25.215 783 H CYS 106 H CYS 106 -9.064 14.534 -17.792 784 HA CYS 106 HA CYS 106 -6.840 12.818 -17.155 785 1HB CYS 106 2HB CYS 106 -8.126 12.823 -14.836 786 2HB CYS 106 1HB CYS 106 -7.322 14.283 -15.413 787 HG CYS 106 HG CYS 106 -10.398 13.807 -15.455 788 H SER 107 H SER 107 -10.362 12.322 -17.245 789 HA SER 107 HA SER 107 -10.290 9.613 -16.281 790 1HB SER 107 2HB SER 107 -12.409 10.382 -18.218 791 2HB SER 107 1HB SER 107 -12.555 9.625 -16.634 792 HG SER 107 HG SER 107 -12.171 11.635 -15.694 793 H ILE 108 H ILE 108 -10.249 11.035 -19.544 794 HA ILE 108 HA ILE 108 -10.293 8.565 -20.983 795 HB ILE 108 HB ILE 108 -9.194 11.305 -21.652 796 1HG1 ILE 108 2HG1 ILE 108 -11.535 9.784 -22.826 797 2HG1 ILE 108 1HG1 ILE 108 -11.699 10.857 -21.436 798 1HG2 ILE 108 1HG2 ILE 108 -9.164 8.740 -23.237 799 2HG2 ILE 108 2HG2 ILE 108 -7.865 9.913 -23.013 800 3HG2 ILE 108 3HG2 ILE 108 -9.237 10.304 -24.049 801 1HD1 ILE 108 1HD1 ILE 108 -10.646 12.681 -22.832 802 2HD1 ILE 108 2HD1 ILE 108 -12.227 12.148 -23.402 803 3HD1 ILE 108 3HD1 ILE 108 -10.764 11.599 -24.220 804 H LEU 109 H LEU 109 -7.580 10.583 -19.841 805 HA LEU 109 HA LEU 109 -5.501 8.894 -20.849 806 1HB LEU 109 2HB LEU 109 -5.716 11.070 -18.824 807 2HB LEU 109 1HB LEU 109 -4.313 10.007 -18.702 808 HG LEU 109 HG LEU 109 -3.880 10.422 -21.148 809 1HD1 LEU 109 1HD1 LEU 109 -6.319 11.175 -21.511 810 2HD1 LEU 109 2HD1 LEU 109 -5.063 12.111 -22.322 811 3HD1 LEU 109 3HD1 LEU 109 -5.808 12.728 -20.847 812 1HD2 LEU 109 1HD2 LEU 109 -2.705 11.677 -19.343 813 2HD2 LEU 109 2HD2 LEU 109 -3.969 12.906 -19.405 814 3HD2 LEU 109 3HD2 LEU 109 -2.919 12.651 -20.797 815 H ALA 110 H ALA 110 -7.582 8.666 -18.060 816 HA ALA 110 HA ALA 110 -5.924 6.789 -16.590 817 1HB ALA 110 1HB ALA 110 -8.734 6.513 -15.983 818 2HB ALA 110 2HB ALA 110 -8.318 8.222 -16.119 819 3HB ALA 110 3HB ALA 110 -7.448 7.192 -14.983 820 H GLU 111 H GLU 111 -9.171 6.172 -17.970 821 HA GLU 111 HA GLU 111 -8.969 3.378 -18.063 822 1HB GLU 111 2HB GLU 111 -11.096 4.352 -18.532 823 2HB GLU 111 1HB GLU 111 -10.444 5.317 -19.858 824 1HG GLU 111 2HG GLU 111 -11.743 3.256 -20.574 825 2HG GLU 111 1HG GLU 111 -10.106 3.369 -21.222 826 H ASP 112 H ASP 112 -7.629 5.761 -20.294 827 HA ASP 112 HA ASP 112 -6.967 3.893 -22.383 828 1HB ASP 112 2HB ASP 112 -6.991 6.458 -22.524 829 2HB ASP 112 1HB ASP 112 -5.410 6.404 -21.742 830 H ALA 113 H ALA 113 -5.253 5.037 -19.496 831 HA ALA 113 HA ALA 113 -2.784 3.662 -20.092 832 1HB ALA 113 1HB ALA 113 -3.716 4.274 -17.295 833 2HB ALA 113 2HB ALA 113 -3.253 5.582 -18.384 834 3HB ALA 113 3HB ALA 113 -2.081 4.336 -17.954 835 H ILE 114 H ILE 114 -5.332 2.910 -17.674 836 HA ILE 114 HA ILE 114 -4.457 0.425 -16.825 837 HB ILE 114 HB ILE 114 -6.704 1.795 -16.372 838 1HG1 ILE 114 2HG1 ILE 114 -5.847 -0.051 -14.987 839 2HG1 ILE 114 1HG1 ILE 114 -7.586 -0.224 -15.233 840 1HG2 ILE 114 1HG2 ILE 114 -7.718 -0.489 -18.073 841 2HG2 ILE 114 2HG2 ILE 114 -7.517 1.140 -18.712 842 3HG2 ILE 114 3HG2 ILE 114 -8.639 0.848 -17.386 843 1HD1 ILE 114 1HD1 ILE 114 -6.927 -1.690 -17.276 844 2HD1 ILE 114 2HD1 ILE 114 -6.773 -2.387 -15.662 845 3HD1 ILE 114 3HD1 ILE 114 -5.345 -1.784 -16.502 846 H LYS 115 H LYS 115 -6.091 1.171 -19.884 847 HA LYS 115 HA LYS 115 -6.242 -1.612 -20.715 848 1HB LYS 115 2HB LYS 115 -7.639 0.436 -21.546 849 2HB LYS 115 1HB LYS 115 -6.271 0.715 -22.625 850 1HG LYS 115 2HG LYS 115 -7.565 -0.684 -23.949 851 2HG LYS 115 1HG LYS 115 -6.556 -1.872 -23.123 852 1HD LYS 115 2HD LYS 115 -8.464 -1.815 -21.313 853 2HD LYS 115 1HD LYS 115 -9.437 -1.175 -22.640 854 1HE LYS 115 2HE LYS 115 -8.168 -3.269 -23.866 855 2HE LYS 115 1HE LYS 115 -8.373 -3.898 -22.231 856 1HZ LYS 115 1HZ LYS 115 -10.681 -2.530 -23.303 857 2HZ LYS 115 2HZ LYS 115 -10.583 -3.999 -22.455 858 3HZ LYS 115 3HZ LYS 115 -10.268 -3.956 -24.124 859 H ALA 116 H ALA 116 -4.387 1.096 -22.157 860 HA ALA 116 HA ALA 116 -2.649 -0.234 -23.785 861 1HB ALA 116 1HB ALA 116 -2.656 2.277 -22.663 862 2HB ALA 116 2HB ALA 116 -1.392 1.661 -23.728 863 3HB ALA 116 3HB ALA 116 -1.187 1.579 -21.979 864 H ALA 117 H ALA 117 -2.444 -0.146 -20.239 865 HA ALA 117 HA ALA 117 0.027 -1.584 -20.027 866 1HB ALA 117 1HB ALA 117 -2.034 -2.022 -17.933 867 2HB ALA 117 2HB ALA 117 -1.573 -0.345 -18.229 868 3HB ALA 117 3HB ALA 117 -0.349 -1.529 -17.767 869 H ILE 118 H ILE 118 -3.328 -2.767 -19.581 870 HA ILE 118 HA ILE 118 -2.954 -5.458 -19.281 871 HB ILE 118 HB ILE 118 -4.952 -3.915 -20.904 872 1HG1 ILE 118 2HG1 ILE 118 -5.510 -5.922 -18.738 873 2HG1 ILE 118 1HG1 ILE 118 -4.862 -4.340 -18.303 874 1HG2 ILE 118 1HG2 ILE 118 -4.489 -6.889 -20.945 875 2HG2 ILE 118 2HG2 ILE 118 -4.886 -5.810 -22.283 876 3HG2 ILE 118 3HG2 ILE 118 -6.123 -6.244 -21.104 877 1HD1 ILE 118 1HD1 ILE 118 -7.252 -4.611 -20.124 878 2HD1 ILE 118 2HD1 ILE 118 -6.729 -3.199 -19.206 879 3HD1 ILE 118 3HD1 ILE 118 -7.431 -4.585 -18.370 880 H ALA 119 H ALA 119 -2.869 -3.788 -22.446 881 HA ALA 119 HA ALA 119 -2.265 -6.046 -24.037 882 1HB ALA 119 1HB ALA 119 -2.558 -3.352 -24.506 883 2HB ALA 119 2HB ALA 119 -2.024 -4.526 -25.709 884 3HB ALA 119 3HB ALA 119 -0.836 -3.587 -24.806 885 H ASP 120 H ASP 120 0.102 -3.640 -22.818 886 HA ASP 120 HA ASP 120 2.479 -4.819 -23.497 887 1HB ASP 120 2HB ASP 120 1.650 -3.494 -20.918 888 2HB ASP 120 1HB ASP 120 3.297 -4.085 -21.143 889 H TYR 121 H TYR 121 0.875 -5.595 -20.385 890 HA TYR 121 HA TYR 121 2.440 -7.755 -19.612 891 1HB TYR 121 2HB TYR 121 0.744 -7.082 -18.103 892 2HB TYR 121 1HB TYR 121 -0.523 -7.257 -19.317 893 HD1 TYR 121 HD1 TYR 121 -1.921 -9.086 -19.001 894 HD2 TYR 121 HD2 TYR 121 2.220 -9.405 -17.908 895 HE1 TYR 121 HE1 TYR 121 -2.292 -11.429 -18.277 896 HE2 TYR 121 HE2 TYR 121 1.849 -11.747 -17.183 897 HH TYR 121 HH TYR 121 -0.875 -13.512 -18.005 898 H LYS 122 H LYS 122 -0.566 -8.055 -21.551 899 HA LYS 122 HA LYS 122 -0.457 -10.778 -22.114 900 1HB LYS 122 2HB LYS 122 -1.476 -8.400 -23.591 901 2HB LYS 122 1HB LYS 122 -1.322 -9.902 -24.502 902 1HG LYS 122 2HG LYS 122 -2.591 -11.049 -22.633 903 2HG LYS 122 1HG LYS 122 -2.912 -9.449 -21.967 904 1HD LYS 122 2HD LYS 122 -4.806 -9.785 -23.286 905 2HD LYS 122 1HD LYS 122 -3.752 -8.914 -24.401 906 1HE LYS 122 2HE LYS 122 -2.998 -11.571 -24.733 907 2HE LYS 122 1HE LYS 122 -4.751 -11.656 -24.558 908 1HZ LYS 122 1HZ LYS 122 -3.527 -11.103 -26.852 909 2HZ LYS 122 2HZ LYS 122 -3.748 -9.527 -26.257 910 3HZ LYS 122 3HZ LYS 122 -5.085 -10.553 -26.472 911 H ALA 123 H ALA 123 1.580 -8.231 -23.417 912 HA ALA 123 HA ALA 123 2.657 -9.293 -25.715 913 1HB ALA 123 1HB ALA 123 4.801 -8.262 -25.105 914 2HB ALA 123 2HB ALA 123 4.293 -8.169 -23.419 915 3HB ALA 123 3HB ALA 123 3.468 -7.204 -24.644 916 H LYS 124 H LYS 124 3.594 -10.252 -22.401 917 HA LYS 124 HA LYS 124 5.180 -12.493 -23.498 918 1HB LYS 124 2HB LYS 124 5.012 -11.046 -20.948 919 2HB LYS 124 1HB LYS 124 5.152 -12.793 -20.751 920 1HG LYS 124 2HG LYS 124 7.388 -11.863 -20.845 921 2HG LYS 124 1HG LYS 124 7.097 -12.750 -22.341 922 1HD LYS 124 2HD LYS 124 6.582 -10.685 -23.524 923 2HD LYS 124 1HD LYS 124 6.719 -9.758 -22.030 924 1HE LYS 124 2HE LYS 124 8.874 -10.996 -23.696 925 2HE LYS 124 1HE LYS 124 8.837 -9.421 -22.904 926 1HZ LYS 124 1HZ LYS 124 9.317 -12.074 -21.688 927 2HZ LYS 124 2HZ LYS 124 8.875 -10.726 -20.751 928 3HZ LYS 124 3HZ LYS 124 10.315 -10.702 -21.651 929 H GLN 125 H GLN 125 2.141 -12.308 -23.624 930 HA GLN 125 HA GLN 125 1.635 -15.092 -22.967 931 1HB GLN 125 2HB GLN 125 1.350 -13.455 -20.813 932 2HB GLN 125 1HB GLN 125 -0.270 -13.354 -21.504 933 1HG GLN 125 2HG GLN 125 -0.228 -15.214 -19.949 934 2HG GLN 125 1HG GLN 125 -0.322 -15.866 -21.585 935 1HE2 GLN 125 1HE2 GLN 125 0.926 -17.758 -21.532 936 2HE2 GLN 125 2HE2 GLN 125 2.508 -17.849 -20.925 937 H GLY 126 H GLY 126 1.445 -13.497 -25.331 938 1HA GLY 126 2HA GLY 126 -1.467 -13.815 -25.861 939 2HA GLY 126 1HA GLY 126 -0.681 -12.303 -26.316 940 H LEU 127 H LEU 127 0.523 -12.242 -28.204 941 HA LEU 127 HA LEU 127 0.699 -14.817 -29.722 942 1HB LEU 127 2HB LEU 127 -0.242 -12.121 -30.464 943 2HB LEU 127 1HB LEU 127 0.868 -12.845 -31.628 944 HG LEU 127 HG LEU 127 -1.306 -14.583 -30.550 945 1HD1 LEU 127 1HD1 LEU 127 -2.448 -12.435 -31.048 946 2HD1 LEU 127 2HD1 LEU 127 -2.918 -13.706 -32.176 947 3HD1 LEU 127 3HD1 LEU 127 -1.767 -12.466 -32.674 948 1HD2 LEU 127 1HD2 LEU 127 -1.085 -15.648 -32.648 949 2HD2 LEU 127 2HD2 LEU 127 0.565 -15.160 -32.259 950 3HD2 LEU 127 3HD2 LEU 127 -0.389 -14.214 -33.402 951 H GLU 128 H GLU 128 2.344 -11.828 -28.822 952 HA GLU 128 HA GLU 128 4.614 -11.883 -30.423 953 1HB GLU 128 2HB GLU 128 4.271 -11.224 -27.498 954 2HB GLU 128 1HB GLU 128 5.843 -11.087 -28.287 955 1HG GLU 128 2HG GLU 128 4.680 -8.929 -28.359 956 2HG GLU 128 1HG GLU 128 4.840 -9.585 -29.989 957 H HIS 129 H HIS 129 3.528 -14.425 -28.517 958 HA HIS 129 HA HIS 129 6.280 -15.584 -28.338 959 1HB HIS 129 2HB HIS 129 5.288 -15.486 -26.149 960 2HB HIS 129 1HB HIS 129 3.767 -16.149 -26.746 961 HD2 HIS 129 HD2 HIS 129 3.646 -18.930 -26.706 962 HE1 HIS 129 HE1 HIS 129 7.737 -19.658 -25.942 963 HE2 HIS 129 HE2 HIS 129 5.453 -20.737 -26.180 964 H HIS 130 H HIS 130 3.429 -17.548 -28.019 965 HA HIS 130 HA HIS 130 3.015 -18.328 -30.711 966 1HB HIS 130 2HB HIS 130 5.525 -19.163 -29.829 967 2HB HIS 130 1HB HIS 130 4.511 -20.593 -29.631 968 HD2 HIS 130 HD2 HIS 130 6.270 -18.677 -32.463 969 HE1 HIS 130 HE1 HIS 130 3.544 -21.313 -34.325 970 HE2 HIS 130 HE2 HIS 130 5.493 -19.737 -34.716 971 H HIS 131 H HIS 131 2.520 -21.068 -30.419 972 HA HIS 131 HA HIS 131 1.288 -21.821 -27.963 973 1HB HIS 131 2HB HIS 131 -1.138 -21.564 -28.884 974 2HB HIS 131 1HB HIS 131 -0.355 -20.150 -28.178 975 HD2 HIS 131 HD2 HIS 131 -2.370 -20.723 -31.207 976 HE1 HIS 131 HE1 HIS 131 0.604 -18.035 -32.540 977 HE2 HIS 131 HE2 HIS 131 -1.638 -19.082 -33.099 978 H HIS 132 H HIS 132 1.488 -23.996 -28.223 979 HA HIS 132 HA HIS 132 0.017 -25.485 -30.136 980 1HB HIS 132 2HB HIS 132 1.464 -24.639 -31.856 981 2HB HIS 132 1HB HIS 132 2.901 -24.945 -30.882 982 HD2 HIS 132 HD2 HIS 132 3.931 -26.887 -32.697 983 HE1 HIS 132 HE1 HIS 132 0.764 -29.642 -32.227 984 HE2 HIS 132 HE2 HIS 132 3.080 -29.300 -33.205 985 H HIS 133 H HIS 133 3.427 -26.116 -29.375 986 HA HIS 133 HA HIS 133 2.778 -28.681 -28.211 987 1HB HIS 133 2HB HIS 133 5.234 -27.080 -28.681 988 2HB HIS 133 1HB HIS 133 5.314 -28.255 -27.368 989 HD2 HIS 133 HD2 HIS 133 5.241 -28.200 -31.256 990 HE1 HIS 133 HE1 HIS 133 5.134 -32.250 -30.058 991 HE2 HIS 133 HE2 HIS 133 5.395 -30.685 -32.037 992 H HIS 134 HN HIS 134 1.666 -26.131 -26.947 993 HA HIS 134 HA HIS 134 1.613 -26.981 -24.259 994 1HB HIS 134 2HB HIS 134 3.082 -25.104 -23.285 995 2HB HIS 134 1HB HIS 134 3.924 -26.491 -23.976 996 HD2 HIS 134 HD2 HIS 134 2.613 -23.136 -25.720 997 HE1 HIS 134 HE1 HIS 134 6.590 -23.892 -26.925 998 HE2 HIS 134 HE2 HIS 134 4.610 -22.327 -27.187 Start of MODEL 12 1 1H MET 1 1H MET 1 -2.214 -50.410 -12.856 2 2H MET 1 2H MET 1 -0.733 -49.811 -12.279 3 3H MET 1 3H MET 1 -0.976 -50.018 -13.947 4 HA MET 1 HA MET 1 -1.143 -47.689 -13.378 5 1HB MET 1 2HB MET 1 -2.745 -48.967 -15.047 6 2HB MET 1 1HB MET 1 -3.972 -48.570 -13.845 7 1HG MET 1 2HG MET 1 -2.973 -46.162 -13.975 8 2HG MET 1 1HG MET 1 -2.289 -46.707 -15.506 9 1HE MET 1 1HE MET 1 -5.382 -46.262 -13.331 10 2HE MET 1 2HE MET 1 -6.520 -45.552 -14.472 11 3HE MET 1 3HE MET 1 -4.998 -44.733 -14.132 12 H ALA 2 H ALA 2 -0.821 -47.472 -11.038 13 HA ALA 2 HA ALA 2 -2.679 -48.000 -9.017 14 1HB ALA 2 1HB ALA 2 -1.257 -46.800 -7.724 15 2HB ALA 2 2HB ALA 2 -1.439 -45.359 -8.723 16 3HB ALA 2 3HB ALA 2 -0.286 -46.612 -9.185 17 H TYR 3 H TYR 3 -4.722 -47.283 -8.649 18 HA TYR 3 HA TYR 3 -5.854 -45.202 -10.372 19 1HB TYR 3 2HB TYR 3 -7.778 -45.766 -8.478 20 2HB TYR 3 1HB TYR 3 -7.590 -46.619 -10.011 21 HD1 TYR 3 HD1 TYR 3 -7.560 -48.936 -9.854 22 HD2 TYR 3 HD2 TYR 3 -5.900 -46.602 -6.651 23 HE1 TYR 3 HE1 TYR 3 -6.997 -51.017 -8.628 24 HE2 TYR 3 HE2 TYR 3 -5.339 -48.684 -5.425 25 HH TYR 3 HH TYR 3 -5.697 -50.919 -5.341 26 H SER 4 H SER 4 -6.927 -43.278 -9.500 27 HA SER 4 HA SER 4 -6.878 -41.316 -8.215 28 1HB SER 4 2HB SER 4 -7.248 -43.547 -6.425 29 2HB SER 4 1HB SER 4 -6.281 -42.309 -5.628 30 HG SER 4 HG SER 4 -8.854 -42.103 -6.786 31 H GLU 5 H GLU 5 -5.187 -39.928 -8.311 32 HA GLU 5 HA GLU 5 -2.444 -40.832 -8.079 33 1HB GLU 5 2HB GLU 5 -3.381 -37.958 -7.959 34 2HB GLU 5 1HB GLU 5 -1.839 -38.575 -8.555 35 1HG GLU 5 2HG GLU 5 -2.782 -38.518 -10.610 36 2HG GLU 5 1HG GLU 5 -3.697 -39.937 -10.098 37 H LYS 6 H LYS 6 -0.928 -39.548 -6.513 38 HA LYS 6 HA LYS 6 -2.210 -38.915 -3.926 39 1HB LYS 6 2HB LYS 6 -0.665 -41.384 -4.479 40 2HB LYS 6 1HB LYS 6 -0.219 -40.523 -3.006 41 1HG LYS 6 2HG LYS 6 -2.412 -40.683 -2.114 42 2HG LYS 6 1HG LYS 6 -3.102 -41.125 -3.677 43 1HD LYS 6 2HD LYS 6 -1.832 -43.254 -3.620 44 2HD LYS 6 1HD LYS 6 -1.197 -42.819 -2.033 45 1HE LYS 6 2HE LYS 6 -3.192 -43.218 -0.973 46 2HE LYS 6 1HE LYS 6 -4.152 -42.700 -2.359 47 1HZ LYS 6 1HZ LYS 6 -4.227 -44.763 -3.166 48 2HZ LYS 6 2HZ LYS 6 -3.732 -45.266 -1.620 49 3HZ LYS 6 3HZ LYS 6 -2.586 -45.058 -2.857 50 H VAL 7 H VAL 7 -1.138 -36.940 -5.223 51 HA VAL 7 HA VAL 7 0.518 -35.280 -5.150 52 HB VAL 7 HB VAL 7 1.800 -36.763 -2.866 53 1HG1 VAL 7 1HG1 VAL 7 2.688 -34.576 -3.798 54 2HG1 VAL 7 2HG1 VAL 7 2.285 -34.540 -2.082 55 3HG1 VAL 7 3HG1 VAL 7 1.187 -33.824 -3.261 56 1HG2 VAL 7 1HG2 VAL 7 -0.001 -35.285 -1.551 57 2HG2 VAL 7 2HG2 VAL 7 -0.358 -36.937 -2.052 58 3HG2 VAL 7 3HG2 VAL 7 -0.940 -35.578 -3.015 59 H ILE 8 H ILE 8 1.429 -36.040 -7.163 60 HA ILE 8 HA ILE 8 4.149 -37.170 -6.807 61 HB ILE 8 HB ILE 8 3.787 -38.722 -8.724 62 1HG1 ILE 8 2HG1 ILE 8 0.855 -38.633 -8.471 63 2HG1 ILE 8 1HG1 ILE 8 1.548 -37.177 -9.188 64 1HG2 ILE 8 1HG2 ILE 8 2.414 -40.365 -7.477 65 2HG2 ILE 8 2HG2 ILE 8 1.869 -39.079 -6.399 66 3HG2 ILE 8 3HG2 ILE 8 3.568 -39.554 -6.418 67 1HD1 ILE 8 1HD1 ILE 8 2.302 -39.956 -10.113 68 2HD1 ILE 8 2HD1 ILE 8 2.610 -38.421 -10.928 69 3HD1 ILE 8 3HD1 ILE 8 0.965 -39.050 -10.824 70 H ASP 9 H ASP 9 5.500 -36.778 -8.762 71 HA ASP 9 HA ASP 9 6.345 -35.108 -10.215 72 1HB ASP 9 2HB ASP 9 4.982 -36.627 -11.674 73 2HB ASP 9 1HB ASP 9 3.610 -35.542 -11.453 74 H HIS 10 H HIS 10 6.295 -33.331 -8.668 75 HA HIS 10 HA HIS 10 4.177 -31.712 -7.931 76 1HB HIS 10 2HB HIS 10 7.065 -31.265 -8.383 77 2HB HIS 10 1HB HIS 10 6.072 -29.807 -8.435 78 HD2 HIS 10 HD2 HIS 10 7.466 -32.296 -5.815 79 HE1 HIS 10 HE1 HIS 10 4.756 -29.769 -3.787 80 HE2 HIS 10 HE2 HIS 10 6.541 -31.547 -3.494 81 H TYR 11 H TYR 11 2.763 -30.394 -8.994 82 HA TYR 11 HA TYR 11 2.995 -30.187 -11.921 83 1HB TYR 11 2HB TYR 11 0.828 -28.758 -10.467 84 2HB TYR 11 1HB TYR 11 0.739 -29.764 -11.913 85 HD1 TYR 11 HD1 TYR 11 0.791 -29.752 -8.230 86 HD2 TYR 11 HD2 TYR 11 0.554 -32.195 -11.756 87 HE1 TYR 11 HE1 TYR 11 0.062 -31.678 -6.847 88 HE2 TYR 11 HE2 TYR 11 -0.174 -34.121 -10.373 89 HH TYR 11 HH TYR 11 -0.461 -33.832 -6.829 90 H GLU 12 H GLU 12 4.332 -28.595 -12.649 91 HA GLU 12 HA GLU 12 5.196 -26.439 -12.978 92 1HB GLU 12 2HB GLU 12 3.021 -25.299 -11.250 93 2HB GLU 12 1HB GLU 12 3.721 -24.650 -12.734 94 1HG GLU 12 2HG GLU 12 2.699 -26.912 -13.743 95 2HG GLU 12 1HG GLU 12 1.592 -26.710 -12.386 96 H ASN 13 H ASN 13 6.982 -25.745 -11.931 97 HA ASN 13 HA ASN 13 6.832 -25.111 -9.044 98 1HB ASN 13 2HB ASN 13 7.732 -27.590 -9.766 99 2HB ASN 13 1HB ASN 13 9.234 -26.666 -9.783 100 1HD2 ASN 13 1HD2 ASN 13 7.048 -28.302 -7.732 101 2HD2 ASN 13 2HD2 ASN 13 7.611 -27.691 -6.252 102 HA PRO 14 HA PRO 14 9.493 -22.413 -11.884 103 1HB PRO 14 2HB PRO 14 8.027 -20.112 -11.522 104 2HB PRO 14 1HB PRO 14 7.765 -21.256 -12.852 105 1HG PRO 14 2HG PRO 14 6.253 -20.921 -10.317 106 2HG PRO 14 1HG PRO 14 5.668 -21.321 -11.940 107 1HD PRO 14 2HD PRO 14 5.969 -23.190 -9.959 108 2HD PRO 14 1HD PRO 14 6.106 -23.576 -11.689 109 H ARG 15 H ARG 15 8.826 -22.790 -8.683 110 HA ARG 15 HA ARG 15 9.809 -21.948 -6.725 111 1HB ARG 15 2HB ARG 15 11.803 -20.704 -8.642 112 2HB ARG 15 1HB ARG 15 12.057 -21.055 -6.933 113 1HG ARG 15 2HG ARG 15 11.439 -23.158 -9.028 114 2HG ARG 15 1HG ARG 15 13.064 -22.774 -8.457 115 1HD ARG 15 2HD ARG 15 10.775 -23.998 -6.924 116 2HD ARG 15 1HD ARG 15 12.425 -24.595 -7.102 117 HE ARG 15 HE ARG 15 12.744 -22.175 -5.797 118 1HH1 ARG 15 1HH2 ARG 15 10.869 -25.032 -5.343 119 2HH1 ARG 15 2HH2 ARG 15 10.850 -24.906 -3.616 120 1HH2 ARG 15 2HH1 ARG 15 12.729 -21.994 -3.543 121 2HH2 ARG 15 1HH1 ARG 15 11.903 -23.186 -2.597 122 H ASN 16 H ASN 16 11.055 -19.209 -8.506 123 HA ASN 16 HA ASN 16 8.802 -17.461 -8.145 124 1HB ASN 16 2HB ASN 16 9.799 -16.070 -6.303 125 2HB ASN 16 1HB ASN 16 9.285 -17.672 -5.773 126 1HD2 ASN 16 1HD2 ASN 16 12.045 -17.990 -7.710 127 2HD2 ASN 16 2HD2 ASN 16 13.210 -18.059 -6.477 128 H VAL 17 H VAL 17 11.844 -18.229 -9.269 129 HA VAL 17 HA VAL 17 13.121 -15.735 -9.664 130 HB VAL 17 HB VAL 17 13.058 -18.201 -11.427 131 1HG1 VAL 17 1HG1 VAL 17 13.839 -16.608 -12.926 132 2HG1 VAL 17 2HG1 VAL 17 15.346 -17.066 -12.133 133 3HG1 VAL 17 3HG1 VAL 17 14.511 -15.589 -11.653 134 1HG2 VAL 17 1HG2 VAL 17 14.057 -18.028 -8.947 135 2HG2 VAL 17 2HG2 VAL 17 15.417 -17.319 -9.819 136 3HG2 VAL 17 3HG2 VAL 17 14.872 -18.951 -10.210 137 H GLY 18 H GLY 18 12.557 -13.989 -10.876 138 1HA GLY 18 2HA GLY 18 11.793 -13.227 -13.154 139 2HA GLY 18 1HA GLY 18 10.476 -14.389 -12.990 140 H SER 19 H SER 19 11.805 -11.405 -11.602 141 HA SER 19 HA SER 19 9.207 -10.220 -11.308 142 1HB SER 19 2HB SER 19 9.308 -10.131 -8.745 143 2HB SER 19 1HB SER 19 8.821 -11.666 -9.456 144 HG SER 19 HG SER 19 11.424 -10.939 -8.571 145 H LEU 20 H LEU 20 9.831 -8.175 -11.811 146 HA LEU 20 HA LEU 20 10.901 -6.093 -11.552 147 1HB LEU 20 2HB LEU 20 10.925 -7.048 -9.034 148 2HB LEU 20 1HB LEU 20 12.659 -7.072 -9.355 149 HG LEU 20 HG LEU 20 12.412 -4.671 -10.174 150 1HD1 LEU 20 1HD1 LEU 20 10.191 -3.886 -8.666 151 2HD1 LEU 20 2HD1 LEU 20 9.647 -5.325 -9.527 152 3HD1 LEU 20 3HD1 LEU 20 10.286 -3.949 -10.426 153 1HD2 LEU 20 1HD2 LEU 20 13.319 -5.313 -7.934 154 2HD2 LEU 20 2HD2 LEU 20 11.685 -5.208 -7.276 155 3HD2 LEU 20 3HD2 LEU 20 12.477 -3.763 -7.905 156 H ASP 21 H ASP 21 12.327 -9.004 -12.295 157 HA ASP 21 HA ASP 21 15.101 -8.227 -12.504 158 1HB ASP 21 2HB ASP 21 13.409 -10.482 -13.441 159 2HB ASP 21 1HB ASP 21 14.872 -10.170 -14.376 160 H LYS 22 H LYS 22 12.785 -6.583 -13.808 161 HA LYS 22 HA LYS 22 12.625 -5.190 -15.691 162 1HB LYS 22 2HB LYS 22 15.354 -6.110 -16.561 163 2HB LYS 22 1HB LYS 22 14.623 -4.511 -16.708 164 1HG LYS 22 2HG LYS 22 14.604 -4.787 -14.011 165 2HG LYS 22 1HG LYS 22 16.036 -5.737 -14.408 166 1HD LYS 22 2HD LYS 22 16.915 -3.575 -14.177 167 2HD LYS 22 1HD LYS 22 16.666 -3.701 -15.919 168 1HE LYS 22 2HE LYS 22 15.751 -1.585 -15.253 169 2HE LYS 22 1HE LYS 22 14.380 -2.652 -15.554 170 1HZ LYS 22 1HZ LYS 22 15.535 -1.871 -12.941 171 2HZ LYS 22 2HZ LYS 22 14.449 -3.166 -13.113 172 3HZ LYS 22 3HZ LYS 22 13.963 -1.588 -13.512 173 H LYS 23 H LYS 23 13.131 -8.524 -15.853 174 HA LYS 23 HA LYS 23 12.119 -8.547 -18.664 175 1HB LYS 23 2HB LYS 23 14.540 -9.178 -18.580 176 2HB LYS 23 1HB LYS 23 14.117 -10.511 -17.506 177 1HG LYS 23 2HG LYS 23 12.335 -10.914 -19.527 178 2HG LYS 23 1HG LYS 23 13.694 -10.232 -20.422 179 1HD LYS 23 2HD LYS 23 13.923 -12.545 -18.475 180 2HD LYS 23 1HD LYS 23 13.807 -12.726 -20.227 181 1HE LYS 23 2HE LYS 23 16.026 -11.452 -18.625 182 2HE LYS 23 1HE LYS 23 16.135 -12.779 -19.780 183 1HZ LYS 23 1HZ LYS 23 15.311 -11.105 -21.473 184 2HZ LYS 23 2HZ LYS 23 16.907 -10.911 -20.921 185 3HZ LYS 23 3HZ LYS 23 15.670 -9.910 -20.324 186 H ASP 24 H ASP 24 10.180 -8.644 -16.960 187 HA ASP 24 HA ASP 24 9.605 -11.547 -16.509 188 1HB ASP 24 2HB ASP 24 8.150 -9.560 -14.859 189 2HB ASP 24 1HB ASP 24 8.811 -11.132 -14.407 190 H SER 25 H SER 25 7.332 -12.136 -16.771 191 HA SER 25 HA SER 25 5.995 -10.409 -18.784 192 1HB SER 25 2HB SER 25 4.929 -13.092 -18.004 193 2HB SER 25 1HB SER 25 4.960 -12.317 -19.586 194 HG SER 25 HG SER 25 6.623 -14.105 -18.682 195 H ASN 26 H ASN 26 5.944 -10.831 -15.493 196 HA ASN 26 HA ASN 26 3.005 -10.475 -15.241 197 1HB ASN 26 2HB ASN 26 5.080 -10.683 -13.040 198 2HB ASN 26 1HB ASN 26 3.331 -10.842 -12.871 199 1HD2 ASN 26 1HD2 ASN 26 6.061 -12.706 -12.969 200 2HD2 ASN 26 2HD2 ASN 26 5.417 -14.131 -13.627 201 H VAL 27 H VAL 27 5.533 -8.524 -15.894 202 HA VAL 27 HA VAL 27 4.580 -6.319 -14.120 203 HB VAL 27 HB VAL 27 7.142 -6.603 -15.718 204 1HG1 VAL 27 1HG1 VAL 27 6.593 -4.278 -15.671 205 2HG1 VAL 27 2HG1 VAL 27 7.758 -4.521 -14.370 206 3HG1 VAL 27 3HG1 VAL 27 6.041 -4.370 -13.999 207 1HG2 VAL 27 1HG2 VAL 27 7.227 -6.227 -12.798 208 2HG2 VAL 27 2HG2 VAL 27 8.115 -7.365 -13.810 209 3HG2 VAL 27 3HG2 VAL 27 6.469 -7.739 -13.298 210 H GLY 28 H GLY 28 2.806 -5.550 -15.299 211 1HA GLY 28 2HA GLY 28 3.092 -5.029 -18.185 212 2HA GLY 28 1HA GLY 28 1.643 -4.745 -17.219 213 H THR 29 H THR 29 2.844 -2.854 -19.076 214 HA THR 29 HA THR 29 3.333 -0.646 -17.137 215 HB THR 29 HB THR 29 4.889 -0.753 -19.709 216 HG1 THR 29 HG1 THR 29 6.466 -1.901 -18.714 217 1HG2 THR 29 1HG2 THR 29 5.866 1.089 -18.858 218 2HG2 THR 29 2HG2 THR 29 6.165 0.293 -17.314 219 3HG2 THR 29 3HG2 THR 29 4.615 1.078 -17.616 220 H GLY 30 H GLY 30 1.752 0.820 -17.514 221 1HA GLY 30 2HA GLY 30 0.532 0.965 -20.215 222 2HA GLY 30 1HA GLY 30 -0.134 1.682 -18.747 223 H MET 31 H MET 31 1.475 2.398 -21.593 224 HA MET 31 HA MET 31 2.513 4.955 -20.433 225 1HB MET 31 2HB MET 31 3.952 3.033 -21.822 226 2HB MET 31 1HB MET 31 3.568 4.223 -23.066 227 1HG MET 31 2HG MET 31 4.317 5.957 -21.235 228 2HG MET 31 1HG MET 31 5.156 4.570 -20.541 229 1HE MET 31 1HE MET 31 7.035 7.259 -21.969 230 2HE MET 31 2HE MET 31 8.182 5.931 -21.818 231 3HE MET 31 3HE MET 31 6.898 6.116 -20.626 232 H VAL 32 H VAL 32 0.980 6.475 -20.900 233 HA VAL 32 HA VAL 32 0.082 6.666 -23.739 234 HB VAL 32 HB VAL 32 -2.189 7.287 -22.940 235 1HG1 VAL 32 1HG1 VAL 32 -2.667 4.911 -21.903 236 2HG1 VAL 32 2HG1 VAL 32 -0.978 4.611 -22.316 237 3HG1 VAL 32 3HG1 VAL 32 -2.132 5.045 -23.578 238 1HG2 VAL 32 1HG2 VAL 32 -1.648 6.143 -20.253 239 2HG2 VAL 32 2HG2 VAL 32 -2.733 7.453 -20.720 240 3HG2 VAL 32 3HG2 VAL 32 -1.005 7.759 -20.546 241 H GLY 33 H GLY 33 -1.064 8.936 -23.997 242 1HA GLY 33 2HA GLY 33 -0.242 11.047 -22.196 243 2HA GLY 33 1HA GLY 33 0.805 10.975 -23.614 244 H ALA 34 H ALA 34 -0.697 13.243 -23.250 245 HA ALA 34 HA ALA 34 -2.858 12.940 -25.299 246 1HB ALA 34 1HB ALA 34 -3.986 13.579 -23.323 247 2HB ALA 34 2HB ALA 34 -3.749 15.105 -24.177 248 3HB ALA 34 3HB ALA 34 -2.691 14.672 -22.834 249 HA PRO 35 HA PRO 35 0.675 15.355 -27.152 250 1HB PRO 35 2HB PRO 35 -1.030 14.621 -29.494 251 2HB PRO 35 1HB PRO 35 0.734 14.556 -29.318 252 1HG PRO 35 2HG PRO 35 -0.787 12.357 -29.208 253 2HG PRO 35 1HG PRO 35 0.691 12.536 -28.249 254 1HD PRO 35 2HD PRO 35 -2.141 12.599 -27.355 255 2HD PRO 35 1HD PRO 35 -0.676 12.188 -26.438 256 H ALA 36 H ALA 36 -2.742 15.755 -26.996 257 HA ALA 36 HA ALA 36 -2.975 18.122 -28.631 258 1HB ALA 36 1HB ALA 36 -4.968 16.861 -28.070 259 2HB ALA 36 2HB ALA 36 -5.112 18.462 -27.346 260 3HB ALA 36 3HB ALA 36 -4.672 17.080 -26.345 261 H CYS 37 H CYS 37 -3.014 17.796 -25.055 262 HA CYS 37 HA CYS 37 -2.244 20.645 -24.842 263 1HB CYS 37 2HB CYS 37 -2.944 18.574 -22.739 264 2HB CYS 37 1HB CYS 37 -2.562 20.261 -22.391 265 HG CYS 37 HG CYS 37 -5.226 19.779 -22.731 266 H GLY 38 H GLY 38 -0.705 17.651 -25.047 267 1HA GLY 38 2HA GLY 38 1.624 17.223 -24.957 268 2HA GLY 38 1HA GLY 38 1.864 18.852 -24.323 269 H ASP 39 H ASP 39 -0.212 16.246 -23.061 270 HA ASP 39 HA ASP 39 1.210 16.540 -20.458 271 1HB ASP 39 2HB ASP 39 -1.560 16.175 -21.221 272 2HB ASP 39 1HB ASP 39 -1.051 14.885 -20.131 273 H VAL 40 H VAL 40 1.982 14.671 -19.369 274 HA VAL 40 HA VAL 40 2.134 12.216 -21.073 275 HB VAL 40 HB VAL 40 4.232 12.969 -19.044 276 1HG1 VAL 40 1HG1 VAL 40 4.021 11.154 -21.442 277 2HG1 VAL 40 2HG1 VAL 40 4.508 10.753 -19.795 278 3HG1 VAL 40 3HG1 VAL 40 5.594 11.672 -20.837 279 1HG2 VAL 40 1HG2 VAL 40 5.487 14.113 -20.780 280 2HG2 VAL 40 2HG2 VAL 40 3.899 14.869 -20.662 281 3HG2 VAL 40 3HG2 VAL 40 4.245 13.746 -21.977 282 H MET 41 H MET 41 1.681 10.270 -20.043 283 HA MET 41 HA MET 41 1.405 10.249 -17.094 284 1HB MET 41 2HB MET 41 -0.818 10.921 -17.901 285 2HB MET 41 1HB MET 41 -0.856 9.532 -18.987 286 1HG MET 41 2HG MET 41 -1.498 8.146 -17.327 287 2HG MET 41 1HG MET 41 -0.230 8.739 -16.255 288 1HE MET 41 1HE MET 41 -3.298 7.892 -15.343 289 2HE MET 41 2HE MET 41 -3.324 9.052 -14.019 290 3HE MET 41 3HE MET 41 -1.831 8.201 -14.406 291 H GLN 42 H GLN 42 2.153 8.329 -16.311 292 HA GLN 42 HA GLN 42 2.124 5.964 -18.131 293 1HB GLN 42 2HB GLN 42 4.378 6.520 -18.318 294 2HB GLN 42 1HB GLN 42 4.450 7.200 -16.693 295 1HG GLN 42 2HG GLN 42 4.582 5.090 -15.675 296 2HG GLN 42 1HG GLN 42 3.911 4.265 -17.082 297 1HE2 GLN 42 1HE2 GLN 42 6.855 5.259 -15.558 298 2HE2 GLN 42 2HE2 GLN 42 7.908 4.807 -16.810 299 H LEU 43 H LEU 43 0.992 4.383 -17.123 300 HA LEU 43 HA LEU 43 1.175 4.216 -14.140 301 1HB LEU 43 2HB LEU 43 -1.078 4.936 -15.154 302 2HB LEU 43 1HB LEU 43 -1.194 3.290 -15.774 303 HG LEU 43 HG LEU 43 -0.416 3.226 -12.995 304 1HD1 LEU 43 1HD1 LEU 43 -3.058 4.604 -13.540 305 2HD1 LEU 43 2HD1 LEU 43 -1.608 5.455 -13.010 306 3HD1 LEU 43 3HD1 LEU 43 -2.348 4.241 -11.967 307 1HD2 LEU 43 1HD2 LEU 43 -1.530 1.439 -14.392 308 2HD2 LEU 43 2HD2 LEU 43 -3.013 2.389 -14.317 309 3HD2 LEU 43 3HD2 LEU 43 -2.312 1.732 -12.838 310 H GLN 44 H GLN 44 1.995 2.299 -13.421 311 HA GLN 44 HA GLN 44 2.192 0.066 -15.391 312 1HB GLN 44 2HB GLN 44 3.715 0.124 -12.805 313 2HB GLN 44 1HB GLN 44 4.168 -0.598 -14.349 314 1HG GLN 44 2HG GLN 44 4.362 1.716 -15.304 315 2HG GLN 44 1HG GLN 44 4.085 2.357 -13.684 316 1HE2 GLN 44 1HE2 GLN 44 5.756 1.916 -12.028 317 2HE2 GLN 44 2HE2 GLN 44 7.330 1.483 -12.491 318 H ILE 45 H ILE 45 2.105 -2.165 -14.318 319 HA ILE 45 HA ILE 45 0.404 -2.299 -11.905 320 HB ILE 45 HB ILE 45 -1.103 -3.956 -13.265 321 1HG1 ILE 45 2HG1 ILE 45 -0.797 -2.229 -15.605 322 2HG1 ILE 45 1HG1 ILE 45 0.657 -3.174 -15.280 323 1HG2 ILE 45 1HG2 ILE 45 -1.244 -0.949 -13.645 324 2HG2 ILE 45 2HG2 ILE 45 -1.913 -1.857 -12.289 325 3HG2 ILE 45 3HG2 ILE 45 -2.583 -2.065 -13.907 326 1HD1 ILE 45 1HD1 ILE 45 -2.134 -4.345 -15.429 327 2HD1 ILE 45 2HD1 ILE 45 -0.622 -5.240 -15.271 328 3HD1 ILE 45 3HD1 ILE 45 -0.978 -4.364 -16.761 329 H LYS 46 H LYS 46 1.108 -4.002 -10.694 330 HA LYS 46 HA LYS 46 2.889 -5.986 -12.010 331 1HB LYS 46 2HB LYS 46 3.340 -4.609 -9.763 332 2HB LYS 46 1HB LYS 46 2.454 -5.960 -9.055 333 1HG LYS 46 2HG LYS 46 4.122 -7.320 -10.697 334 2HG LYS 46 1HG LYS 46 5.132 -5.919 -10.337 335 1HD LYS 46 2HD LYS 46 4.672 -6.304 -7.893 336 2HD LYS 46 1HD LYS 46 3.855 -7.803 -8.336 337 1HE LYS 46 2HE LYS 46 6.771 -7.096 -8.630 338 2HE LYS 46 1HE LYS 46 6.053 -8.500 -7.840 339 1HZ LYS 46 1HZ LYS 46 6.905 -9.211 -9.917 340 2HZ LYS 46 2HZ LYS 46 6.165 -7.926 -10.747 341 3HZ LYS 46 3HZ LYS 46 5.217 -9.166 -10.076 342 H VAL 47 H VAL 47 1.655 -7.644 -12.827 343 HA VAL 47 HA VAL 47 -0.757 -8.567 -11.451 344 HB VAL 47 HB VAL 47 0.660 -10.012 -13.693 345 1HG1 VAL 47 1HG1 VAL 47 -2.301 -9.640 -13.252 346 2HG1 VAL 47 2HG1 VAL 47 -1.407 -10.902 -12.403 347 3HG1 VAL 47 3HG1 VAL 47 -1.475 -10.902 -14.166 348 1HG2 VAL 47 1HG2 VAL 47 -0.978 -8.553 -15.123 349 2HG2 VAL 47 2HG2 VAL 47 0.557 -7.852 -14.611 350 3HG2 VAL 47 3HG2 VAL 47 -0.927 -7.452 -13.746 351 H ASP 48 H ASP 48 -0.968 -10.522 -10.305 352 HA ASP 48 HA ASP 48 1.487 -11.521 -9.077 353 1HB ASP 48 2HB ASP 48 -0.403 -11.398 -7.629 354 2HB ASP 48 1HB ASP 48 -1.438 -12.233 -8.788 355 H ASP 49 H ASP 49 -0.887 -13.936 -9.705 356 HA ASP 49 HA ASP 49 0.589 -15.014 -12.034 357 1HB ASP 49 2HB ASP 49 1.219 -15.851 -9.435 358 2HB ASP 49 1HB ASP 49 0.167 -17.118 -10.067 359 H ASN 50 H ASN 50 -2.246 -14.145 -10.937 360 HA ASN 50 HA ASN 50 -3.656 -16.368 -12.329 361 1HB ASN 50 2HB ASN 50 -5.083 -15.196 -10.012 362 2HB ASN 50 1HB ASN 50 -5.038 -16.865 -10.580 363 1HD2 ASN 50 1HD2 ASN 50 -3.023 -14.429 -8.866 364 2HD2 ASN 50 2HD2 ASN 50 -2.139 -15.568 -7.970 365 H GLY 51 H GLY 51 -2.992 -13.160 -12.230 366 1HA GLY 51 2HA GLY 51 -4.051 -11.721 -13.931 367 2HA GLY 51 1HA GLY 51 -5.590 -12.493 -13.544 368 H ILE 52 H ILE 52 -4.198 -12.174 -10.625 369 HA ILE 52 HA ILE 52 -5.791 -9.789 -9.993 370 HB ILE 52 HB ILE 52 -4.000 -11.455 -8.199 371 1HG1 ILE 52 2HG1 ILE 52 -6.061 -12.517 -9.467 372 2HG1 ILE 52 1HG1 ILE 52 -5.823 -12.840 -7.750 373 1HG2 ILE 52 1HG2 ILE 52 -5.822 -10.463 -6.544 374 2HG2 ILE 52 2HG2 ILE 52 -5.927 -9.203 -7.773 375 3HG2 ILE 52 3HG2 ILE 52 -4.390 -9.527 -6.971 376 1HD1 ILE 52 1HD1 ILE 52 -8.184 -12.129 -8.459 377 2HD1 ILE 52 2HD1 ILE 52 -7.502 -10.524 -8.724 378 3HD1 ILE 52 3HD1 ILE 52 -7.467 -11.242 -7.113 379 H ILE 53 H ILE 53 -4.942 -7.791 -9.328 380 HA ILE 53 HA ILE 53 -2.147 -7.296 -10.152 381 HB ILE 53 HB ILE 53 -4.396 -5.450 -9.301 382 1HG1 ILE 53 2HG1 ILE 53 -2.991 -5.852 -11.963 383 2HG1 ILE 53 1HG1 ILE 53 -4.574 -6.512 -11.552 384 1HG2 ILE 53 1HG2 ILE 53 -2.233 -4.517 -8.601 385 2HG2 ILE 53 2HG2 ILE 53 -2.866 -3.617 -9.978 386 3HG2 ILE 53 3HG2 ILE 53 -1.576 -4.796 -10.213 387 1HD1 ILE 53 1HD1 ILE 53 -5.047 -4.499 -12.719 388 2HD1 ILE 53 2HD1 ILE 53 -3.784 -3.613 -11.862 389 3HD1 ILE 53 3HD1 ILE 53 -5.256 -4.090 -11.016 390 H GLU 54 H GLU 54 -0.968 -8.262 -8.425 391 HA GLU 54 HA GLU 54 -1.434 -8.059 -5.679 392 1HB GLU 54 2HB GLU 54 0.697 -8.889 -7.303 393 2HB GLU 54 1HB GLU 54 1.387 -7.644 -6.262 394 1HG GLU 54 2HG GLU 54 0.662 -8.791 -4.274 395 2HG GLU 54 1HG GLU 54 -0.300 -9.930 -5.215 396 H ASP 55 H ASP 55 0.529 -5.789 -7.641 397 HA ASP 55 HA ASP 55 -0.259 -3.643 -5.728 398 1HB ASP 55 2HB ASP 55 2.138 -4.674 -5.398 399 2HB ASP 55 1HB ASP 55 2.537 -3.720 -6.828 400 H ALA 56 H ALA 56 0.773 -1.457 -6.812 401 HA ALA 56 HA ALA 56 0.703 -1.464 -9.727 402 1HB ALA 56 1HB ALA 56 -1.427 0.302 -8.735 403 2HB ALA 56 2HB ALA 56 -1.773 -1.413 -8.508 404 3HB ALA 56 3HB ALA 56 -1.427 -0.789 -10.121 405 H LYS 57 H LYS 57 2.277 0.008 -10.142 406 HA LYS 57 HA LYS 57 2.657 2.273 -8.258 407 1HB LYS 57 2HB LYS 57 4.605 0.829 -9.011 408 2HB LYS 57 1HB LYS 57 4.389 1.509 -10.623 409 1HG LYS 57 2HG LYS 57 5.006 3.662 -9.945 410 2HG LYS 57 1HG LYS 57 4.636 3.339 -8.251 411 1HD LYS 57 2HD LYS 57 6.553 1.732 -8.188 412 2HD LYS 57 1HD LYS 57 6.960 2.211 -9.837 413 1HE LYS 57 2HE LYS 57 7.462 4.443 -9.175 414 2HE LYS 57 1HE LYS 57 6.695 4.228 -7.601 415 1HZ LYS 57 1HZ LYS 57 8.780 3.830 -6.931 416 2HZ LYS 57 2HZ LYS 57 9.339 3.462 -8.493 417 3HZ LYS 57 3HZ LYS 57 8.530 2.282 -7.576 418 H PHE 58 H PHE 58 2.402 4.417 -8.913 419 HA PHE 58 HA PHE 58 1.275 4.798 -11.659 420 1HB PHE 58 2HB PHE 58 0.278 6.925 -10.438 421 2HB PHE 58 1HB PHE 58 -0.516 5.358 -10.283 422 HD1 PHE 58 HD1 PHE 58 0.843 8.096 -8.494 423 HD2 PHE 58 HD2 PHE 58 0.377 3.830 -8.321 424 HE1 PHE 58 HE1 PHE 58 1.187 8.158 -6.039 425 HE2 PHE 58 HE2 PHE 58 0.722 3.891 -5.865 426 HZ PHE 58 HZ PHE 58 1.126 6.055 -4.725 427 H LYS 59 H LYS 59 1.706 7.001 -12.574 428 HA LYS 59 HA LYS 59 3.917 8.528 -11.397 429 1HB LYS 59 2HB LYS 59 5.059 6.642 -12.584 430 2HB LYS 59 1HB LYS 59 4.299 7.175 -14.084 431 1HG LYS 59 2HG LYS 59 5.359 9.432 -13.736 432 2HG LYS 59 1HG LYS 59 6.243 8.746 -12.373 433 1HD LYS 59 2HD LYS 59 7.005 6.926 -14.058 434 2HD LYS 59 1HD LYS 59 6.479 8.065 -15.298 435 1HE LYS 59 2HE LYS 59 8.791 8.533 -14.953 436 2HE LYS 59 1HE LYS 59 7.922 9.808 -14.098 437 1HZ LYS 59 1HZ LYS 59 9.832 8.379 -12.971 438 2HZ LYS 59 2HZ LYS 59 8.508 7.385 -12.594 439 3HZ LYS 59 3HZ LYS 59 8.525 9.007 -12.091 440 H THR 60 H THR 60 2.610 10.368 -11.525 441 HA THR 60 HA THR 60 1.773 11.174 -14.283 442 HB THR 60 HB THR 60 -0.220 11.923 -13.469 443 HG1 THR 60 HG1 THR 60 0.986 12.542 -10.986 444 1HG2 THR 60 1HG2 THR 60 0.332 9.583 -12.392 445 2HG2 THR 60 2HG2 THR 60 -1.103 10.470 -11.882 446 3HG2 THR 60 3HG2 THR 60 0.354 10.506 -10.890 447 H TYR 61 H TYR 61 2.851 12.916 -15.067 448 HA TYR 61 HA TYR 61 3.710 15.062 -13.229 449 1HB TYR 61 2HB TYR 61 5.660 13.643 -13.150 450 2HB TYR 61 1HB TYR 61 5.638 13.427 -14.899 451 HD1 TYR 61 HD1 TYR 61 6.054 15.980 -12.212 452 HD2 TYR 61 HD2 TYR 61 6.699 14.983 -16.340 453 HE1 TYR 61 HE1 TYR 61 7.459 18.007 -12.482 454 HE2 TYR 61 HE2 TYR 61 8.103 17.009 -16.610 455 HH TYR 61 HH TYR 61 9.405 18.687 -14.122 456 H GLY 62 H GLY 62 2.397 16.520 -14.353 457 1HA GLY 62 2HA GLY 62 3.423 17.794 -16.657 458 2HA GLY 62 1HA GLY 62 2.197 16.652 -17.209 459 H CYS 63 H CYS 63 0.434 16.855 -14.975 460 HA CYS 63 HA CYS 63 -0.386 19.726 -15.099 461 1HB CYS 63 2HB CYS 63 -1.732 18.251 -16.652 462 2HB CYS 63 1HB CYS 63 -2.297 17.377 -15.228 463 HG CYS 63 HG CYS 63 -2.892 20.411 -15.718 464 H GLY 64 H GLY 64 -0.540 20.532 -13.069 465 1HA GLY 64 2HA GLY 64 -0.458 18.784 -10.748 466 2HA GLY 64 1HA GLY 64 -0.594 20.543 -10.712 467 H SER 65 H SER 65 -2.709 18.066 -12.188 468 HA SER 65 HA SER 65 -4.817 18.624 -10.220 469 1HB SER 65 2HB SER 65 -5.908 20.178 -11.432 470 2HB SER 65 1HB SER 65 -4.696 20.067 -12.704 471 HG SER 65 HG SER 65 -6.059 18.944 -13.831 472 H ALA 66 H ALA 66 -3.201 16.534 -12.145 473 HA ALA 66 HA ALA 66 -5.575 14.787 -12.619 474 1HB ALA 66 1HB ALA 66 -3.027 15.222 -14.019 475 2HB ALA 66 2HB ALA 66 -4.548 14.573 -14.630 476 3HB ALA 66 3HB ALA 66 -3.417 13.518 -13.784 477 H ILE 67 H ILE 67 -3.162 15.307 -10.380 478 HA ILE 67 HA ILE 67 -2.260 12.666 -9.774 479 HB ILE 67 HB ILE 67 -2.681 15.029 -7.917 480 1HG1 ILE 67 2HG1 ILE 67 0.037 14.661 -8.441 481 2HG1 ILE 67 1HG1 ILE 67 -0.737 14.420 -10.008 482 1HG2 ILE 67 1HG2 ILE 67 -0.974 13.876 -6.519 483 2HG2 ILE 67 2HG2 ILE 67 -1.030 12.501 -7.622 484 3HG2 ILE 67 3HG2 ILE 67 -2.455 12.931 -6.675 485 1HD1 ILE 67 1HD1 ILE 67 -1.957 16.561 -9.717 486 2HD1 ILE 67 2HD1 ILE 67 -0.208 16.794 -9.690 487 3HD1 ILE 67 3HD1 ILE 67 -1.123 16.811 -8.183 488 H ALA 68 H ALA 68 -4.688 14.547 -7.922 489 HA ALA 68 HA ALA 68 -5.758 12.652 -6.291 490 1HB ALA 68 1HB ALA 68 -8.069 13.662 -6.859 491 2HB ALA 68 2HB ALA 68 -7.195 14.689 -7.995 492 3HB ALA 68 3HB ALA 68 -6.826 14.766 -6.271 493 H SER 69 H SER 69 -7.347 13.119 -9.463 494 HA SER 69 HA SER 69 -8.803 10.788 -9.598 495 1HB SER 69 2HB SER 69 -7.962 10.853 -12.160 496 2HB SER 69 1HB SER 69 -9.129 12.005 -11.516 497 HG SER 69 HG SER 69 -7.171 13.269 -10.940 498 H SER 70 H SER 70 -5.476 11.021 -10.924 499 HA SER 70 HA SER 70 -5.035 8.336 -11.486 500 1HB SER 70 2HB SER 70 -2.670 8.764 -11.202 501 2HB SER 70 1HB SER 70 -3.405 10.225 -11.855 502 HG SER 70 HG SER 70 -1.994 10.601 -10.051 503 H SER 71 H SER 71 -4.569 9.937 -8.323 504 HA SER 71 HA SER 71 -3.716 7.645 -6.885 505 1HB SER 71 2HB SER 71 -5.523 9.717 -5.656 506 2HB SER 71 1HB SER 71 -4.157 8.875 -4.930 507 HG SER 71 HG SER 71 -4.054 11.214 -5.908 508 H LEU 72 H LEU 72 -6.854 8.541 -8.088 509 HA LEU 72 HA LEU 72 -8.331 6.723 -6.342 510 1HB LEU 72 2HB LEU 72 -9.099 8.863 -7.795 511 2HB LEU 72 1HB LEU 72 -9.494 7.582 -8.942 512 HG LEU 72 HG LEU 72 -10.564 6.440 -6.809 513 1HD1 LEU 72 1HD1 LEU 72 -10.433 9.384 -6.121 514 2HD1 LEU 72 2HD1 LEU 72 -9.914 8.017 -5.135 515 3HD1 LEU 72 3HD1 LEU 72 -11.632 8.300 -5.415 516 1HD2 LEU 72 1HD2 LEU 72 -11.955 6.926 -8.661 517 2HD2 LEU 72 2HD2 LEU 72 -11.690 8.663 -8.514 518 3HD2 LEU 72 3HD2 LEU 72 -12.695 7.821 -7.334 519 H ILE 73 H ILE 73 -8.136 6.709 -9.915 520 HA ILE 73 HA ILE 73 -8.870 4.106 -10.414 521 HB ILE 73 HB ILE 73 -8.358 5.273 -12.358 522 1HG1 ILE 73 2HG1 ILE 73 -5.753 3.773 -11.981 523 2HG1 ILE 73 1HG1 ILE 73 -7.283 2.958 -12.307 524 1HG2 ILE 73 1HG2 ILE 73 -6.265 6.543 -12.680 525 2HG2 ILE 73 2HG2 ILE 73 -5.699 6.012 -11.096 526 3HG2 ILE 73 3HG2 ILE 73 -7.106 7.069 -11.222 527 1HD1 ILE 73 1HD1 ILE 73 -6.424 3.233 -14.462 528 2HD1 ILE 73 2HD1 ILE 73 -5.709 4.800 -14.084 529 3HD1 ILE 73 3HD1 ILE 73 -7.453 4.656 -14.300 530 H THR 74 H THR 74 -5.961 5.170 -8.825 531 HA THR 74 HA THR 74 -4.535 2.649 -9.103 532 HB THR 74 HB THR 74 -3.341 3.774 -6.972 533 HG1 THR 74 HG1 THR 74 -4.022 5.713 -6.631 534 1HG2 THR 74 1HG2 THR 74 -3.100 4.853 -9.793 535 2HG2 THR 74 2HG2 THR 74 -2.362 3.356 -9.223 536 3HG2 THR 74 3HG2 THR 74 -1.856 4.903 -8.544 537 H GLU 75 H GLU 75 -6.131 4.242 -6.315 538 HA GLU 75 HA GLU 75 -5.974 1.995 -4.572 539 1HB GLU 75 2HB GLU 75 -6.705 4.493 -4.138 540 2HB GLU 75 1HB GLU 75 -8.320 3.870 -4.476 541 1HG GLU 75 2HG GLU 75 -7.841 2.043 -2.770 542 2HG GLU 75 1HG GLU 75 -6.408 2.965 -2.313 543 H TRP 76 H TRP 76 -7.877 2.522 -7.368 544 HA TRP 76 HA TRP 76 -9.997 0.638 -6.559 545 1HB TRP 76 2HB TRP 76 -9.950 2.769 -8.298 546 2HB TRP 76 1HB TRP 76 -9.818 1.399 -9.399 547 HD1 TRP 76 HD1 TRP 76 -11.555 -0.595 -7.490 548 HE1 TRP 76 HE1 TRP 76 -14.118 -0.312 -7.479 549 HE3 TRP 76 HE3 TRP 76 -11.922 4.182 -9.259 550 HZ2 TRP 76 HZ2 TRP 76 -16.066 1.678 -8.136 551 HZ3 TRP 76 HZ3 TRP 76 -14.141 5.245 -9.557 552 HH2 TRP 76 HH2 TRP 76 -16.212 4.000 -8.998 553 H VAL 77 H VAL 77 -7.099 0.709 -8.565 554 HA VAL 77 HA VAL 77 -7.613 -2.119 -9.358 555 HB VAL 77 HB VAL 77 -5.913 -1.781 -11.072 556 1HG1 VAL 77 1HG1 VAL 77 -7.021 0.561 -11.952 557 2HG1 VAL 77 2HG1 VAL 77 -8.225 0.035 -10.776 558 3HG1 VAL 77 3HG1 VAL 77 -7.786 -1.018 -12.120 559 1HG2 VAL 77 1HG2 VAL 77 -5.300 0.915 -11.059 560 2HG2 VAL 77 2HG2 VAL 77 -4.238 -0.366 -10.479 561 3HG2 VAL 77 3HG2 VAL 77 -5.264 0.509 -9.343 562 H LYS 78 H LYS 78 -6.976 -2.074 -6.770 563 HA LYS 78 HA LYS 78 -4.098 -2.876 -6.735 564 1HB LYS 78 2HB LYS 78 -4.837 -0.644 -5.508 565 2HB LYS 78 1HB LYS 78 -5.384 -1.770 -4.265 566 1HG LYS 78 2HG LYS 78 -3.180 -1.398 -3.601 567 2HG LYS 78 1HG LYS 78 -3.001 -2.841 -4.600 568 1HD LYS 78 2HD LYS 78 -1.382 -1.568 -5.608 569 2HD LYS 78 1HD LYS 78 -2.767 -0.956 -6.515 570 1HE LYS 78 2HE LYS 78 -1.653 0.994 -5.751 571 2HE LYS 78 1HE LYS 78 -3.004 0.790 -4.637 572 1HZ LYS 78 1HZ LYS 78 -0.219 0.735 -4.099 573 2HZ LYS 78 2HZ LYS 78 -0.947 -0.716 -3.599 574 3HZ LYS 78 3HZ LYS 78 -1.518 0.771 -3.011 575 H GLY 79 H GLY 79 -4.895 -5.069 -7.059 576 1HA GLY 79 2HA GLY 79 -4.948 -7.082 -5.593 577 2HA GLY 79 1HA GLY 79 -6.094 -6.215 -4.568 578 H LYS 80 H LYS 80 -7.221 -5.188 -7.313 579 HA LYS 80 HA LYS 80 -9.310 -7.221 -7.464 580 1HB LYS 80 2HB LYS 80 -8.924 -4.943 -9.409 581 2HB LYS 80 1HB LYS 80 -10.428 -5.729 -8.930 582 1HG LYS 80 2HG LYS 80 -8.683 -4.179 -7.001 583 2HG LYS 80 1HG LYS 80 -10.036 -3.458 -7.873 584 1HD LYS 80 2HD LYS 80 -11.320 -5.587 -6.903 585 2HD LYS 80 1HD LYS 80 -10.061 -5.477 -5.671 586 1HE LYS 80 2HE LYS 80 -12.136 -3.417 -6.418 587 2HE LYS 80 1HE LYS 80 -11.801 -4.112 -4.832 588 1HZ LYS 80 1HZ LYS 80 -10.909 -1.752 -5.514 589 2HZ LYS 80 2HZ LYS 80 -9.644 -2.669 -6.181 590 3HZ LYS 80 3HZ LYS 80 -10.000 -2.786 -4.524 591 H SER 81 H SER 81 -9.942 -7.595 -10.042 592 HA SER 81 HA SER 81 -7.503 -8.910 -11.162 593 1HB SER 81 2HB SER 81 -10.443 -9.568 -11.494 594 2HB SER 81 1HB SER 81 -9.146 -10.371 -12.375 595 HG SER 81 HG SER 81 -8.995 -10.161 -9.582 596 H LEU 82 H LEU 82 -7.758 -9.168 -13.681 597 HA LEU 82 HA LEU 82 -7.744 -6.541 -14.822 598 1HB LEU 82 2HB LEU 82 -7.929 -9.269 -16.135 599 2HB LEU 82 1HB LEU 82 -7.649 -7.762 -17.009 600 HG LEU 82 HG LEU 82 -5.841 -8.010 -14.746 601 1HD1 LEU 82 1HD1 LEU 82 -6.152 -10.437 -15.210 602 2HD1 LEU 82 2HD1 LEU 82 -4.518 -9.889 -15.586 603 3HD1 LEU 82 3HD1 LEU 82 -5.680 -10.155 -16.885 604 1HD2 LEU 82 1HD2 LEU 82 -5.522 -6.469 -16.632 605 2HD2 LEU 82 2HD2 LEU 82 -5.447 -7.831 -17.751 606 3HD2 LEU 82 3HD2 LEU 82 -4.175 -7.606 -16.550 607 H GLU 83 H GLU 83 -10.273 -8.906 -14.370 608 HA GLU 83 HA GLU 83 -12.110 -7.931 -16.342 609 1HB GLU 83 2HB GLU 83 -12.234 -10.099 -14.940 610 2HB GLU 83 1HB GLU 83 -12.943 -9.088 -13.680 611 1HG GLU 83 2HG GLU 83 -14.492 -8.262 -15.661 612 2HG GLU 83 1HG GLU 83 -14.046 -9.815 -16.370 613 H GLU 84 H GLU 84 -11.021 -6.603 -13.362 614 HA GLU 84 HA GLU 84 -13.391 -4.811 -13.186 615 1HB GLU 84 2HB GLU 84 -12.182 -6.065 -11.178 616 2HB GLU 84 1HB GLU 84 -11.109 -4.667 -11.254 617 1HG GLU 84 2HG GLU 84 -12.979 -3.146 -10.975 618 2HG GLU 84 1HG GLU 84 -14.129 -4.480 -11.074 619 H ALA 85 H ALA 85 -9.865 -4.744 -13.629 620 HA ALA 85 HA ALA 85 -9.750 -1.843 -13.805 621 1HB ALA 85 1HB ALA 85 -7.470 -2.115 -14.094 622 2HB ALA 85 2HB ALA 85 -7.662 -3.573 -15.069 623 3HB ALA 85 3HB ALA 85 -7.856 -3.652 -13.318 624 H GLY 86 H GLY 86 -10.382 -4.451 -16.031 625 1HA GLY 86 2HA GLY 86 -10.179 -2.562 -18.330 626 2HA GLY 86 1HA GLY 86 -10.231 -4.320 -18.469 627 H ALA 87 H ALA 87 -12.300 -1.896 -16.831 628 HA ALA 87 HA ALA 87 -14.540 -2.340 -18.583 629 1HB ALA 87 1HB ALA 87 -15.244 -4.312 -17.710 630 2HB ALA 87 2HB ALA 87 -15.768 -3.351 -16.327 631 3HB ALA 87 3HB ALA 87 -14.200 -4.156 -16.297 632 H ILE 88 H ILE 88 -13.391 -1.374 -15.377 633 HA ILE 88 HA ILE 88 -15.393 0.124 -14.299 634 HB ILE 88 HB ILE 88 -13.463 1.965 -14.006 635 1HG1 ILE 88 2HG1 ILE 88 -11.998 -0.565 -14.831 636 2HG1 ILE 88 1HG1 ILE 88 -12.047 0.930 -15.766 637 1HG2 ILE 88 1HG2 ILE 88 -13.938 0.940 -12.020 638 2HG2 ILE 88 2HG2 ILE 88 -12.461 0.040 -12.362 639 3HG2 ILE 88 3HG2 ILE 88 -14.031 -0.660 -12.755 640 1HD1 ILE 88 1HD1 ILE 88 -10.960 0.679 -12.946 641 2HD1 ILE 88 2HD1 ILE 88 -10.964 2.144 -13.930 642 3HD1 ILE 88 3HD1 ILE 88 -9.976 0.762 -14.407 643 H LYS 89 H LYS 89 -13.445 1.129 -17.112 644 HA LYS 89 HA LYS 89 -13.931 2.690 -18.797 645 1HB LYS 89 2HB LYS 89 -16.467 1.610 -17.939 646 2HB LYS 89 1HB LYS 89 -16.655 3.318 -18.339 647 1HG LYS 89 2HG LYS 89 -15.468 2.884 -20.505 648 2HG LYS 89 1HG LYS 89 -15.473 1.164 -20.113 649 1HD LYS 89 2HD LYS 89 -18.081 2.584 -19.923 650 2HD LYS 89 1HD LYS 89 -17.439 2.316 -21.544 651 1HE LYS 89 2HE LYS 89 -17.379 0.027 -19.623 652 2HE LYS 89 1HE LYS 89 -18.933 0.471 -20.331 653 1HZ LYS 89 1HZ LYS 89 -18.205 -0.878 -21.967 654 2HZ LYS 89 2HZ LYS 89 -16.563 -0.649 -21.596 655 3HZ LYS 89 3HZ LYS 89 -17.408 0.525 -22.490 656 H ASN 90 H ASN 90 -13.187 4.740 -18.565 657 HA ASN 90 HA ASN 90 -13.079 6.292 -16.293 658 1HB ASN 90 2HB ASN 90 -13.007 8.290 -17.769 659 2HB ASN 90 1HB ASN 90 -12.018 6.974 -18.404 660 1HD2 ASN 90 1HD2 ASN 90 -12.623 8.589 -20.400 661 2HD2 ASN 90 2HD2 ASN 90 -13.948 8.065 -21.323 662 H SER 91 H SER 91 -15.882 5.650 -18.257 663 HA SER 91 HA SER 91 -17.605 7.756 -17.586 664 1HB SER 91 2HB SER 91 -18.575 4.906 -17.510 665 2HB SER 91 1HB SER 91 -19.387 6.331 -18.152 666 HG SER 91 HG SER 91 -17.983 6.332 -19.870 667 H GLN 92 H GLN 92 -16.644 4.962 -15.635 668 HA GLN 92 HA GLN 92 -18.439 5.720 -13.439 669 1HB GLN 92 2HB GLN 92 -17.416 3.336 -14.165 670 2HB GLN 92 1HB GLN 92 -16.194 3.816 -12.987 671 1HG GLN 92 2HG GLN 92 -18.014 4.262 -11.338 672 2HG GLN 92 1HG GLN 92 -19.183 3.651 -12.510 673 1HE2 GLN 92 1HE2 GLN 92 -18.808 2.362 -9.976 674 2HE2 GLN 92 2HE2 GLN 92 -18.121 0.834 -10.250 675 H ILE 93 H ILE 93 -14.879 5.366 -13.698 676 HA ILE 93 HA ILE 93 -14.052 6.530 -11.354 677 HB ILE 93 HB ILE 93 -12.908 7.186 -14.087 678 1HG1 ILE 93 2HG1 ILE 93 -12.052 4.999 -12.177 679 2HG1 ILE 93 1HG1 ILE 93 -13.217 4.717 -13.472 680 1HG2 ILE 93 1HG2 ILE 93 -12.176 8.541 -12.019 681 2HG2 ILE 93 2HG2 ILE 93 -10.903 7.766 -12.961 682 3HG2 ILE 93 3HG2 ILE 93 -11.446 7.041 -11.448 683 1HD1 ILE 93 1HD1 ILE 93 -11.127 6.080 -14.726 684 2HD1 ILE 93 2HD1 ILE 93 -11.448 4.349 -14.825 685 3HD1 ILE 93 3HD1 ILE 93 -10.315 4.969 -13.623 686 H ALA 94 H ALA 94 -15.012 8.343 -14.283 687 HA ALA 94 HA ALA 94 -14.741 10.921 -12.989 688 1HB ALA 94 1HB ALA 94 -16.593 11.046 -15.170 689 2HB ALA 94 2HB ALA 94 -15.287 9.948 -15.615 690 3HB ALA 94 3HB ALA 94 -14.921 11.603 -15.125 691 H GLU 95 H GLU 95 -17.625 9.043 -13.997 692 HA GLU 95 HA GLU 95 -19.695 10.555 -13.078 693 1HB GLU 95 2HB GLU 95 -20.176 8.359 -13.906 694 2HB GLU 95 1HB GLU 95 -19.242 7.598 -12.617 695 1HG GLU 95 2HG GLU 95 -20.901 7.878 -11.058 696 2HG GLU 95 1HG GLU 95 -21.461 9.391 -11.772 697 H GLU 96 H GLU 96 -17.333 8.906 -11.036 698 HA GLU 96 HA GLU 96 -18.739 9.625 -8.567 699 1HB GLU 96 2HB GLU 96 -17.348 7.572 -8.725 700 2HB GLU 96 1HB GLU 96 -15.920 8.580 -8.967 701 1HG GLU 96 2HG GLU 96 -15.738 8.472 -6.701 702 2HG GLU 96 1HG GLU 96 -16.993 9.711 -6.719 703 H LEU 97 H LEU 97 -15.479 10.464 -9.817 704 HA LEU 97 HA LEU 97 -15.135 12.680 -8.041 705 1HB LEU 97 2HB LEU 97 -13.610 11.388 -10.030 706 2HB LEU 97 1HB LEU 97 -13.737 13.070 -10.548 707 HG LEU 97 HG LEU 97 -13.103 13.702 -8.148 708 1HD1 LEU 97 1HD1 LEU 97 -12.490 10.737 -8.149 709 2HD1 LEU 97 2HD1 LEU 97 -13.490 11.632 -7.003 710 3HD1 LEU 97 3HD1 LEU 97 -11.741 11.866 -7.019 711 1HD2 LEU 97 1HD2 LEU 97 -10.630 12.662 -8.727 712 2HD2 LEU 97 2HD2 LEU 97 -11.284 14.132 -9.450 713 3HD2 LEU 97 3HD2 LEU 97 -11.417 12.594 -10.304 714 H GLU 98 H GLU 98 -17.029 12.312 -10.879 715 HA GLU 98 HA GLU 98 -18.065 13.907 -12.296 716 1HB GLU 98 2HB GLU 98 -19.458 13.860 -10.239 717 2HB GLU 98 1HB GLU 98 -18.481 15.165 -9.567 718 1HG GLU 98 2HG GLU 98 -19.812 16.646 -10.615 719 2HG GLU 98 1HG GLU 98 -19.251 16.005 -12.160 720 H LEU 99 H LEU 99 -15.344 14.391 -12.383 721 HA LEU 99 HA LEU 99 -14.674 17.106 -11.633 722 1HB LEU 99 2HB LEU 99 -12.698 16.759 -13.105 723 2HB LEU 99 1HB LEU 99 -12.924 15.420 -11.980 724 HG LEU 99 HG LEU 99 -14.386 15.078 -14.505 725 1HD1 LEU 99 1HD1 LEU 99 -12.194 14.408 -15.676 726 2HD1 LEU 99 2HD1 LEU 99 -11.380 15.397 -14.464 727 3HD1 LEU 99 3HD1 LEU 99 -12.541 16.133 -15.569 728 1HD2 LEU 99 1HD2 LEU 99 -13.247 12.841 -14.331 729 2HD2 LEU 99 2HD2 LEU 99 -14.158 13.278 -12.885 730 3HD2 LEU 99 3HD2 LEU 99 -12.401 13.434 -12.900 731 HA PRO 100 HA PRO 100 -16.510 19.766 -14.606 732 1HB PRO 100 2HB PRO 100 -13.691 20.296 -15.484 733 2HB PRO 100 1HB PRO 100 -14.997 21.448 -15.141 734 1HG PRO 100 2HG PRO 100 -13.013 20.917 -13.392 735 2HG PRO 100 1HG PRO 100 -14.646 21.384 -12.893 736 1HD PRO 100 2HD PRO 100 -13.306 18.796 -12.577 737 2HD PRO 100 1HD PRO 100 -14.813 19.371 -11.833 738 HA PRO 101 HA PRO 101 -16.128 16.812 -18.058 739 1HB PRO 101 2HB PRO 101 -18.665 17.119 -18.994 740 2HB PRO 101 1HB PRO 101 -18.272 16.104 -17.594 741 1HG PRO 101 2HG PRO 101 -19.472 18.811 -17.691 742 2HG PRO 101 1HG PRO 101 -19.764 17.482 -16.559 743 1HD PRO 101 2HD PRO 101 -18.161 19.704 -16.036 744 2HD PRO 101 1HD PRO 101 -18.091 18.165 -15.152 745 H VAL 102 H VAL 102 -15.757 19.963 -18.079 746 HA VAL 102 HA VAL 102 -16.631 20.622 -20.801 747 HB VAL 102 HB VAL 102 -15.274 22.733 -20.349 748 1HG1 VAL 102 1HG1 VAL 102 -17.397 23.316 -19.825 749 2HG1 VAL 102 2HG1 VAL 102 -16.923 23.069 -18.144 750 3HG1 VAL 102 3HG1 VAL 102 -17.710 21.769 -19.039 751 1HG2 VAL 102 1HG2 VAL 102 -13.961 21.296 -18.515 752 2HG2 VAL 102 2HG2 VAL 102 -15.238 21.920 -17.472 753 3HG2 VAL 102 3HG2 VAL 102 -14.180 23.037 -18.333 754 H LYS 103 H LYS 103 -14.462 18.500 -19.938 755 HA LYS 103 HA LYS 103 -12.848 18.817 -22.322 756 1HB LYS 103 2HB LYS 103 -11.810 20.471 -20.685 757 2HB LYS 103 1HB LYS 103 -11.366 19.080 -19.695 758 1HG LYS 103 2HG LYS 103 -9.510 18.893 -20.960 759 2HG LYS 103 1HG LYS 103 -10.558 18.386 -22.284 760 1HD LYS 103 2HD LYS 103 -10.814 20.698 -23.022 761 2HD LYS 103 1HD LYS 103 -9.873 21.270 -21.645 762 1HE LYS 103 2HE LYS 103 -8.088 19.540 -22.623 763 2HE LYS 103 1HE LYS 103 -8.954 19.877 -24.121 764 1HZ LYS 103 1HZ LYS 103 -8.662 22.333 -23.106 765 2HZ LYS 103 2HZ LYS 103 -7.584 21.628 -24.213 766 3HZ LYS 103 3HZ LYS 103 -7.238 21.597 -22.550 767 H VAL 104 H VAL 104 -13.224 17.290 -19.142 768 HA VAL 104 HA VAL 104 -12.731 15.088 -18.451 769 HB VAL 104 HB VAL 104 -13.658 14.412 -21.255 770 1HG1 VAL 104 1HG1 VAL 104 -13.846 12.303 -20.471 771 2HG1 VAL 104 2HG1 VAL 104 -14.658 12.849 -19.004 772 3HG1 VAL 104 3HG1 VAL 104 -12.897 12.834 -19.082 773 1HG2 VAL 104 1HG2 VAL 104 -15.499 14.768 -18.898 774 2HG2 VAL 104 2HG2 VAL 104 -15.890 14.774 -20.617 775 3HG2 VAL 104 3HG2 VAL 104 -15.064 16.154 -19.895 776 H HIS 105 H HIS 105 -10.364 16.113 -18.971 777 HA HIS 105 HA HIS 105 -9.017 14.509 -21.071 778 1HB HIS 105 2HB HIS 105 -8.550 17.068 -19.797 779 2HB HIS 105 1HB HIS 105 -7.118 16.050 -19.658 780 HD2 HIS 105 HD2 HIS 105 -5.548 16.790 -21.813 781 HE1 HIS 105 HE1 HIS 105 -8.572 16.853 -24.760 782 HE2 HIS 105 HE2 HIS 105 -6.084 17.118 -24.345 783 H CYS 106 H CYS 106 -8.450 15.276 -17.614 784 HA CYS 106 HA CYS 106 -6.492 13.417 -17.016 785 1HB CYS 106 2HB CYS 106 -7.538 15.021 -15.390 786 2HB CYS 106 1HB CYS 106 -8.918 13.929 -15.270 787 HG CYS 106 HG CYS 106 -6.025 13.067 -14.432 788 H SER 107 H SER 107 -9.994 12.717 -16.651 789 HA SER 107 HA SER 107 -9.888 10.013 -16.095 790 1HB SER 107 2HB SER 107 -11.902 10.294 -18.089 791 2HB SER 107 1HB SER 107 -12.106 10.288 -16.339 792 HG SER 107 HG SER 107 -11.244 12.615 -16.705 793 H ILE 108 H ILE 108 -10.225 11.220 -19.452 794 HA ILE 108 HA ILE 108 -9.832 8.936 -20.900 795 HB ILE 108 HB ILE 108 -8.579 11.655 -21.343 796 1HG1 ILE 108 2HG1 ILE 108 -10.972 10.217 -22.534 797 2HG1 ILE 108 1HG1 ILE 108 -11.024 11.589 -21.428 798 1HG2 ILE 108 1HG2 ILE 108 -8.687 9.258 -23.200 799 2HG2 ILE 108 2HG2 ILE 108 -7.231 10.001 -22.535 800 3HG2 ILE 108 3HG2 ILE 108 -8.226 10.888 -23.691 801 1HD1 ILE 108 1HD1 ILE 108 -11.334 12.464 -23.650 802 2HD1 ILE 108 2HD1 ILE 108 -9.950 11.556 -24.259 803 3HD1 ILE 108 3HD1 ILE 108 -9.702 12.899 -23.143 804 H LEU 109 H LEU 109 -7.039 10.958 -19.901 805 HA LEU 109 HA LEU 109 -4.995 9.184 -20.575 806 1HB LEU 109 2HB LEU 109 -5.308 11.305 -18.505 807 2HB LEU 109 1HB LEU 109 -3.946 10.200 -18.317 808 HG LEU 109 HG LEU 109 -3.285 10.679 -20.679 809 1HD1 LEU 109 1HD1 LEU 109 -4.940 11.535 -21.969 810 2HD1 LEU 109 2HD1 LEU 109 -4.533 13.086 -21.233 811 3HD1 LEU 109 3HD1 LEU 109 -5.846 12.111 -20.569 812 1HD2 LEU 109 1HD2 LEU 109 -3.006 13.337 -20.026 813 2HD2 LEU 109 2HD2 LEU 109 -1.953 12.048 -19.442 814 3HD2 LEU 109 3HD2 LEU 109 -3.299 12.607 -18.447 815 H ALA 110 H ALA 110 -7.058 9.144 -17.693 816 HA ALA 110 HA ALA 110 -5.655 7.127 -16.252 817 1HB ALA 110 1HB ALA 110 -8.108 8.547 -15.994 818 2HB ALA 110 2HB ALA 110 -7.298 7.558 -14.778 819 3HB ALA 110 3HB ALA 110 -8.483 6.828 -15.860 820 H GLU 111 H GLU 111 -8.791 6.542 -17.863 821 HA GLU 111 HA GLU 111 -8.630 3.772 -18.019 822 1HB GLU 111 2HB GLU 111 -10.672 4.661 -18.745 823 2HB GLU 111 1HB GLU 111 -9.893 5.820 -19.824 824 1HG GLU 111 2HG GLU 111 -11.026 3.742 -20.891 825 2HG GLU 111 1HG GLU 111 -9.406 4.176 -21.441 826 H ASP 112 H ASP 112 -7.644 5.976 -20.675 827 HA ASP 112 HA ASP 112 -6.537 4.158 -22.434 828 1HB ASP 112 2HB ASP 112 -5.883 6.964 -21.700 829 2HB ASP 112 1HB ASP 112 -4.660 6.090 -22.623 830 H ALA 113 H ALA 113 -5.059 5.349 -19.432 831 HA ALA 113 HA ALA 113 -2.499 4.135 -19.806 832 1HB ALA 113 1HB ALA 113 -3.548 4.214 -17.040 833 2HB ALA 113 2HB ALA 113 -3.584 5.753 -17.900 834 3HB ALA 113 3HB ALA 113 -2.060 4.891 -17.700 835 H ILE 114 H ILE 114 -5.358 2.942 -17.998 836 HA ILE 114 HA ILE 114 -4.221 0.411 -17.342 837 HB ILE 114 HB ILE 114 -6.505 1.653 -16.641 838 1HG1 ILE 114 2HG1 ILE 114 -7.218 -0.572 -15.699 839 2HG1 ILE 114 1HG1 ILE 114 -5.952 -1.327 -16.668 840 1HG2 ILE 114 1HG2 ILE 114 -7.466 1.185 -18.937 841 2HG2 ILE 114 2HG2 ILE 114 -8.437 0.578 -17.597 842 3HG2 ILE 114 3HG2 ILE 114 -7.430 -0.530 -18.528 843 1HD1 ILE 114 1HD1 ILE 114 -4.339 -0.689 -15.222 844 2HD1 ILE 114 2HD1 ILE 114 -5.640 -0.270 -14.107 845 3HD1 ILE 114 3HD1 ILE 114 -4.950 0.963 -15.163 846 H LYS 115 H LYS 115 -6.128 1.456 -20.162 847 HA LYS 115 HA LYS 115 -6.378 -1.122 -21.365 848 1HB LYS 115 2HB LYS 115 -7.738 0.584 -22.282 849 2HB LYS 115 1HB LYS 115 -6.374 1.685 -22.477 850 1HG LYS 115 2HG LYS 115 -5.683 0.701 -24.426 851 2HG LYS 115 1HG LYS 115 -6.170 -0.912 -23.904 852 1HD LYS 115 2HD LYS 115 -8.367 1.040 -24.337 853 2HD LYS 115 1HD LYS 115 -7.520 0.488 -25.782 854 1HE LYS 115 2HE LYS 115 -9.583 -0.876 -24.771 855 2HE LYS 115 1HE LYS 115 -8.218 -1.695 -25.530 856 1HZ LYS 115 1HZ LYS 115 -9.050 -2.336 -23.135 857 2HZ LYS 115 2HZ LYS 115 -8.021 -1.061 -22.682 858 3HZ LYS 115 3HZ LYS 115 -7.404 -2.389 -23.544 859 H ALA 116 H ALA 116 -3.848 1.367 -21.622 860 HA ALA 116 HA ALA 116 -2.298 -0.061 -23.595 861 1HB ALA 116 1HB ALA 116 -0.976 1.769 -21.633 862 2HB ALA 116 2HB ALA 116 -2.183 2.454 -22.722 863 3HB ALA 116 3HB ALA 116 -0.757 1.652 -23.379 864 H ALA 117 H ALA 117 -2.069 0.202 -20.040 865 HA ALA 117 HA ALA 117 0.218 -1.410 -19.665 866 1HB ALA 117 1HB ALA 117 -1.757 -1.967 -17.626 867 2HB ALA 117 2HB ALA 117 -1.765 -0.248 -18.024 868 3HB ALA 117 3HB ALA 117 -0.271 -1.025 -17.499 869 H ILE 118 H ILE 118 -3.135 -2.319 -20.287 870 HA ILE 118 HA ILE 118 -2.788 -5.129 -19.728 871 HB ILE 118 HB ILE 118 -4.810 -3.595 -21.378 872 1HG1 ILE 118 2HG1 ILE 118 -5.128 -5.131 -18.784 873 2HG1 ILE 118 1HG1 ILE 118 -4.759 -3.407 -18.841 874 1HG2 ILE 118 1HG2 ILE 118 -4.395 -6.540 -21.000 875 2HG2 ILE 118 2HG2 ILE 118 -4.955 -5.663 -22.425 876 3HG2 ILE 118 3HG2 ILE 118 -6.045 -5.920 -21.063 877 1HD1 ILE 118 1HD1 ILE 118 -7.310 -4.691 -19.119 878 2HD1 ILE 118 2HD1 ILE 118 -6.928 -3.861 -20.628 879 3HD1 ILE 118 3HD1 ILE 118 -6.948 -2.965 -19.109 880 H ALA 119 H ALA 119 -3.308 -3.574 -22.916 881 HA ALA 119 HA ALA 119 -2.603 -5.606 -24.609 882 1HB ALA 119 1HB ALA 119 -3.159 -3.465 -25.545 883 2HB ALA 119 2HB ALA 119 -1.521 -3.837 -26.085 884 3HB ALA 119 3HB ALA 119 -1.777 -2.697 -24.764 885 H ASP 120 H ASP 120 -0.266 -3.490 -22.926 886 HA ASP 120 HA ASP 120 2.077 -4.771 -23.954 887 1HB ASP 120 2HB ASP 120 1.530 -3.141 -21.469 888 2HB ASP 120 1HB ASP 120 3.128 -3.811 -21.802 889 H TYR 121 H TYR 121 0.178 -5.333 -20.988 890 HA TYR 121 HA TYR 121 1.821 -7.330 -19.841 891 1HB TYR 121 2HB TYR 121 -0.010 -6.469 -18.552 892 2HB TYR 121 1HB TYR 121 -1.180 -6.943 -19.784 893 HD1 TYR 121 HD1 TYR 121 1.291 -8.291 -17.338 894 HD2 TYR 121 HD2 TYR 121 -2.124 -9.118 -19.809 895 HE1 TYR 121 HE1 TYR 121 1.048 -10.512 -16.260 896 HE2 TYR 121 HE2 TYR 121 -2.367 -11.338 -18.732 897 HH TYR 121 HH TYR 121 -1.452 -12.220 -16.118 898 H LYS 122 H LYS 122 -0.761 -7.619 -22.278 899 HA LYS 122 HA LYS 122 -0.549 -10.502 -22.466 900 1HB LYS 122 2HB LYS 122 -1.897 -8.336 -24.033 901 2HB LYS 122 1HB LYS 122 -1.688 -9.913 -24.797 902 1HG LYS 122 2HG LYS 122 -2.884 -11.017 -23.020 903 2HG LYS 122 1HG LYS 122 -2.915 -9.542 -22.053 904 1HD LYS 122 2HD LYS 122 -4.165 -8.498 -24.074 905 2HD LYS 122 1HD LYS 122 -4.442 -10.167 -24.575 906 1HE LYS 122 2HE LYS 122 -6.341 -9.636 -23.264 907 2HE LYS 122 1HE LYS 122 -5.300 -10.549 -22.170 908 1HZ LYS 122 1HZ LYS 122 -5.578 -8.793 -20.835 909 2HZ LYS 122 2HZ LYS 122 -6.069 -7.766 -22.095 910 3HZ LYS 122 3HZ LYS 122 -4.416 -8.042 -21.816 911 H ALA 123 H ALA 123 0.746 -7.788 -24.384 912 HA ALA 123 HA ALA 123 2.013 -9.268 -26.421 913 1HB ALA 123 1HB ALA 123 3.137 -6.795 -25.072 914 2HB ALA 123 2HB ALA 123 1.868 -6.760 -26.297 915 3HB ALA 123 3HB ALA 123 3.477 -7.353 -26.710 916 H LYS 124 H LYS 124 2.615 -9.331 -23.082 917 HA LYS 124 HA LYS 124 5.371 -10.400 -23.513 918 1HB LYS 124 2HB LYS 124 4.009 -9.043 -21.211 919 2HB LYS 124 1HB LYS 124 5.315 -10.180 -20.873 920 1HG LYS 124 2HG LYS 124 6.895 -8.744 -21.619 921 2HG LYS 124 1HG LYS 124 5.959 -8.338 -23.058 922 1HD LYS 124 2HD LYS 124 4.670 -6.708 -21.876 923 2HD LYS 124 1HD LYS 124 5.268 -7.268 -20.314 924 1HE LYS 124 2HE LYS 124 7.252 -6.151 -20.520 925 2HE LYS 124 1HE LYS 124 7.340 -6.421 -22.260 926 1HZ LYS 124 1HZ LYS 124 5.207 -4.683 -21.308 927 2HZ LYS 124 2HZ LYS 124 6.164 -4.565 -22.707 928 3HZ LYS 124 3HZ LYS 124 6.784 -4.067 -21.206 929 H GLN 125 H GLN 125 2.709 -10.994 -21.188 930 HA GLN 125 HA GLN 125 3.445 -13.839 -21.093 931 1HB GLN 125 2HB GLN 125 2.772 -12.722 -19.018 932 2HB GLN 125 1HB GLN 125 1.216 -12.295 -19.733 933 1HG GLN 125 2HG GLN 125 0.366 -14.381 -19.435 934 2HG GLN 125 1HG GLN 125 1.878 -15.164 -19.897 935 1HE2 GLN 125 1HE2 GLN 125 -0.096 -14.284 -17.208 936 2HE2 GLN 125 2HE2 GLN 125 1.010 -14.686 -15.984 937 H GLY 126 H GLY 126 2.052 -12.298 -23.461 938 1HA GLY 126 2HA GLY 126 -0.545 -13.229 -23.894 939 2HA GLY 126 1HA GLY 126 0.632 -13.023 -25.193 940 H LEU 127 H LEU 127 1.892 -14.855 -25.845 941 HA LEU 127 HA LEU 127 0.902 -17.469 -24.776 942 1HB LEU 127 2HB LEU 127 0.879 -16.410 -27.507 943 2HB LEU 127 1HB LEU 127 1.683 -17.977 -27.392 944 HG LEU 127 HG LEU 127 -1.040 -17.398 -26.198 945 1HD1 LEU 127 1HD1 LEU 127 -0.524 -19.019 -28.689 946 2HD1 LEU 127 2HD1 LEU 127 -0.804 -17.280 -28.781 947 3HD1 LEU 127 3HD1 LEU 127 -2.047 -18.339 -28.114 948 1HD2 LEU 127 1HD2 LEU 127 -0.950 -20.053 -26.533 949 2HD2 LEU 127 2HD2 LEU 127 -0.302 -19.286 -25.085 950 3HD2 LEU 127 3HD2 LEU 127 0.783 -19.759 -26.393 951 H GLU 128 H GLU 128 3.546 -15.455 -25.333 952 HA GLU 128 HA GLU 128 5.424 -17.424 -24.375 953 1HB GLU 128 2HB GLU 128 4.969 -17.416 -27.182 954 2HB GLU 128 1HB GLU 128 6.548 -16.678 -26.916 955 1HG GLU 128 2HG GLU 128 7.371 -18.585 -25.771 956 2HG GLU 128 1HG GLU 128 5.753 -19.250 -25.547 957 H HIS 129 H HIS 129 7.718 -16.133 -25.715 958 HA HIS 129 HA HIS 129 7.715 -13.646 -24.102 959 1HB HIS 129 2HB HIS 129 10.050 -14.829 -25.616 960 2HB HIS 129 1HB HIS 129 10.095 -13.716 -24.247 961 HD2 HIS 129 HD2 HIS 129 11.151 -15.339 -22.250 962 HE1 HIS 129 HE1 HIS 129 8.522 -18.608 -22.731 963 HE2 HIS 129 HE2 HIS 129 10.397 -17.653 -21.314 964 H HIS 130 H HIS 130 6.088 -13.174 -26.172 965 HA HIS 130 HA HIS 130 7.308 -12.379 -28.633 966 1HB HIS 130 2HB HIS 130 4.768 -12.613 -27.938 967 2HB HIS 130 1HB HIS 130 4.936 -10.904 -27.535 968 HD2 HIS 130 HD2 HIS 130 5.495 -13.174 -30.765 969 HE1 HIS 130 HE1 HIS 130 4.710 -9.205 -31.975 970 HE2 HIS 130 HE2 HIS 130 5.115 -11.573 -32.788 971 H HIS 131 H HIS 131 6.446 -9.641 -28.859 972 HA HIS 131 HA HIS 131 7.750 -8.078 -26.775 973 1HB HIS 131 2HB HIS 131 9.478 -7.150 -28.430 974 2HB HIS 131 1HB HIS 131 9.793 -8.762 -27.790 975 HD2 HIS 131 HD2 HIS 131 9.208 -10.906 -29.677 976 HE1 HIS 131 HE1 HIS 131 9.094 -8.347 -33.034 977 HE2 HIS 131 HE2 HIS 131 9.176 -10.768 -32.281 978 H HIS 132 H HIS 132 7.396 -5.815 -27.078 979 HA HIS 132 HA HIS 132 5.021 -5.066 -28.395 980 1HB HIS 132 2HB HIS 132 5.943 -3.638 -26.682 981 2HB HIS 132 1HB HIS 132 7.428 -3.404 -27.603 982 HD2 HIS 132 HD2 HIS 132 3.600 -2.381 -27.945 983 HE1 HIS 132 HE1 HIS 132 5.943 0.250 -30.273 984 HE2 HIS 132 HE2 HIS 132 3.597 -0.249 -29.448 985 H HIS 133 H HIS 133 4.726 -5.357 -30.568 986 HA HIS 133 HA HIS 133 6.720 -5.456 -32.553 987 1HB HIS 133 2HB HIS 133 4.385 -6.162 -32.938 988 2HB HIS 133 1HB HIS 133 3.863 -4.480 -32.853 989 HD2 HIS 133 HD2 HIS 133 3.220 -4.202 -35.588 990 HE1 HIS 133 HE1 HIS 133 7.059 -5.131 -37.085 991 HE2 HIS 133 HE2 HIS 133 4.750 -4.280 -37.700 992 H HIS 134 HN HIS 134 8.230 -3.743 -32.183 993 HA HIS 134 HA HIS 134 7.257 -0.961 -32.396 994 1HB HIS 134 2HB HIS 134 9.299 -2.041 -30.968 995 2HB HIS 134 1HB HIS 134 10.171 -1.515 -32.409 996 HD2 HIS 134 HD2 HIS 134 10.948 1.117 -32.165 997 HE1 HIS 134 HE1 HIS 134 7.861 2.438 -29.603 998 HE2 HIS 134 HE2 HIS 134 9.965 3.134 -30.835 Start of MODEL 13 1 1H MET 1 1H MET 1 31.905 -9.219 -15.199 2 2H MET 1 2H MET 1 30.525 -9.001 -16.167 3 3H MET 1 3H MET 1 31.847 -7.944 -16.315 4 HA MET 1 HA MET 1 31.390 -10.087 -17.894 5 1HB MET 1 2HB MET 1 32.991 -8.044 -18.061 6 2HB MET 1 1HB MET 1 34.175 -9.101 -17.292 7 1HG MET 1 2HG MET 1 34.512 -9.404 -19.625 8 2HG MET 1 1HG MET 1 33.590 -10.816 -19.111 9 1HE MET 1 1HE MET 1 33.980 -9.042 -22.053 10 2HE MET 1 2HE MET 1 32.496 -9.655 -22.776 11 3HE MET 1 3HE MET 1 33.532 -10.742 -21.854 12 H ALA 2 H ALA 2 32.027 -10.538 -14.735 13 HA ALA 2 HA ALA 2 33.034 -12.259 -13.472 14 1HB ALA 2 1HB ALA 2 32.346 -13.980 -15.858 15 2HB ALA 2 2HB ALA 2 31.102 -13.338 -14.787 16 3HB ALA 2 3HB ALA 2 32.336 -14.426 -14.152 17 H TYR 3 H TYR 3 35.201 -11.236 -13.919 18 HA TYR 3 HA TYR 3 37.043 -13.250 -14.911 19 1HB TYR 3 2HB TYR 3 36.066 -11.755 -16.927 20 2HB TYR 3 1HB TYR 3 37.367 -10.689 -16.397 21 HD1 TYR 3 HD1 TYR 3 36.528 -13.863 -17.994 22 HD2 TYR 3 HD2 TYR 3 39.722 -11.499 -16.362 23 HE1 TYR 3 HE1 TYR 3 38.183 -15.310 -19.140 24 HE2 TYR 3 HE2 TYR 3 41.379 -12.947 -17.509 25 HH TYR 3 HH TYR 3 40.329 -15.720 -19.495 26 H SER 4 H SER 4 36.330 -10.180 -13.472 27 HA SER 4 HA SER 4 37.660 -8.710 -12.192 28 1HB SER 4 2HB SER 4 37.671 -10.196 -10.434 29 2HB SER 4 1HB SER 4 38.338 -11.504 -11.407 30 HG SER 4 HG SER 4 39.891 -9.223 -10.889 31 H GLU 5 H GLU 5 38.591 -8.268 -14.560 32 HA GLU 5 HA GLU 5 41.475 -8.991 -14.674 33 1HB GLU 5 2HB GLU 5 40.102 -9.284 -16.729 34 2HB GLU 5 1HB GLU 5 39.747 -7.555 -16.716 35 1HG GLU 5 2HG GLU 5 42.288 -7.194 -16.715 36 2HG GLU 5 1HG GLU 5 42.420 -8.904 -17.129 37 H LYS 6 H LYS 6 39.883 -6.009 -15.769 38 HA LYS 6 HA LYS 6 41.951 -4.477 -14.269 39 1HB LYS 6 2HB LYS 6 41.506 -4.179 -16.807 40 2HB LYS 6 1HB LYS 6 40.043 -3.328 -16.306 41 1HG LYS 6 2HG LYS 6 41.557 -1.913 -14.802 42 2HG LYS 6 1HG LYS 6 42.914 -2.607 -15.690 43 1HD LYS 6 2HD LYS 6 41.232 -1.851 -17.729 44 2HD LYS 6 1HD LYS 6 40.964 -0.574 -16.542 45 1HE LYS 6 2HE LYS 6 42.802 0.240 -17.748 46 2HE LYS 6 1HE LYS 6 43.570 -0.536 -16.362 47 1HZ LYS 6 1HZ LYS 6 43.494 -1.373 -19.156 48 2HZ LYS 6 2HZ LYS 6 43.446 -2.599 -17.980 49 3HZ LYS 6 3HZ LYS 6 44.745 -1.505 -18.019 50 H VAL 7 H VAL 7 41.189 -2.447 -13.195 51 HA VAL 7 HA VAL 7 39.093 -2.922 -11.354 52 HB VAL 7 HB VAL 7 39.163 -0.334 -11.118 53 1HG1 VAL 7 1HG1 VAL 7 41.494 -2.209 -10.716 54 2HG1 VAL 7 2HG1 VAL 7 40.344 -1.617 -9.517 55 3HG1 VAL 7 3HG1 VAL 7 41.565 -0.531 -10.179 56 1HG2 VAL 7 1HG2 VAL 7 40.927 0.808 -12.248 57 2HG2 VAL 7 2HG2 VAL 7 40.112 -0.134 -13.497 58 3HG2 VAL 7 3HG2 VAL 7 41.637 -0.702 -12.819 59 H ILE 8 H ILE 8 36.954 -1.958 -11.229 60 HA ILE 8 HA ILE 8 35.867 -0.766 -13.706 61 HB ILE 8 HB ILE 8 34.554 -3.207 -12.493 62 1HG1 ILE 8 2HG1 ILE 8 36.476 -2.991 -14.830 63 2HG1 ILE 8 1HG1 ILE 8 36.680 -3.959 -13.370 64 1HG2 ILE 8 1HG2 ILE 8 32.943 -2.879 -14.053 65 2HG2 ILE 8 2HG2 ILE 8 34.121 -2.509 -15.312 66 3HG2 ILE 8 3HG2 ILE 8 33.601 -1.249 -14.193 67 1HD1 ILE 8 1HD1 ILE 8 34.988 -4.474 -15.762 68 2HD1 ILE 8 2HD1 ILE 8 34.307 -4.932 -14.200 69 3HD1 ILE 8 3HD1 ILE 8 35.847 -5.613 -14.724 70 H ASP 9 H ASP 9 33.864 0.351 -13.319 71 HA ASP 9 HA ASP 9 32.348 0.244 -10.930 72 1HB ASP 9 2HB ASP 9 33.235 2.455 -9.931 73 2HB ASP 9 1HB ASP 9 34.190 1.000 -9.645 74 H HIS 10 H HIS 10 32.062 0.717 -13.798 75 HA HIS 10 HA HIS 10 30.828 3.443 -13.720 76 1HB HIS 10 2HB HIS 10 31.416 3.795 -15.942 77 2HB HIS 10 1HB HIS 10 32.786 2.829 -15.393 78 HD2 HIS 10 HD2 HIS 10 30.996 -0.097 -15.545 79 HE1 HIS 10 HE1 HIS 10 30.939 0.819 -19.668 80 HE2 HIS 10 HE2 HIS 10 30.598 -1.019 -17.953 81 H TYR 11 H TYR 11 29.550 1.021 -12.783 82 HA TYR 11 HA TYR 11 27.540 -0.162 -13.044 83 1HB TYR 11 2HB TYR 11 26.549 1.807 -15.046 84 2HB TYR 11 1HB TYR 11 25.759 1.178 -13.600 85 HD1 TYR 11 HD1 TYR 11 27.474 1.730 -11.403 86 HD2 TYR 11 HD2 TYR 11 26.807 4.117 -14.912 87 HE1 TYR 11 HE1 TYR 11 28.146 3.763 -10.150 88 HE2 TYR 11 HE2 TYR 11 27.479 6.148 -13.659 89 HH TYR 11 HH TYR 11 27.728 6.959 -11.474 90 H GLU 12 H GLU 12 28.983 -1.715 -14.323 91 HA GLU 12 HA GLU 12 28.662 -1.652 -17.241 92 1HB GLU 12 2HB GLU 12 30.745 -2.516 -16.230 93 2HB GLU 12 1HB GLU 12 29.825 -3.788 -15.426 94 1HG GLU 12 2HG GLU 12 29.173 -4.751 -17.545 95 2HG GLU 12 1HG GLU 12 29.874 -3.394 -18.429 96 H ASN 13 H ASN 13 27.000 -2.976 -14.518 97 HA ASN 13 HA ASN 13 25.293 -4.571 -16.388 98 1HB ASN 13 2HB ASN 13 26.761 -5.819 -14.619 99 2HB ASN 13 1HB ASN 13 25.558 -5.237 -13.466 100 1HD2 ASN 13 1HD2 ASN 13 26.249 -7.820 -15.511 101 2HD2 ASN 13 2HD2 ASN 13 24.679 -8.440 -15.688 102 HA PRO 14 HA PRO 14 22.604 -1.156 -14.912 103 1HB PRO 14 2HB PRO 14 20.772 -2.705 -16.689 104 2HB PRO 14 1HB PRO 14 21.070 -0.958 -16.624 105 1HG PRO 14 2HG PRO 14 22.080 -2.496 -18.563 106 2HG PRO 14 1HG PRO 14 22.948 -1.092 -17.922 107 1HD PRO 14 2HD PRO 14 23.501 -3.985 -17.515 108 2HD PRO 14 1HD PRO 14 24.616 -2.602 -17.453 109 H ARG 15 H ARG 15 20.841 -1.153 -13.432 110 HA ARG 15 HA ARG 15 20.187 -3.838 -12.308 111 1HB ARG 15 2HB ARG 15 19.234 -1.965 -10.511 112 2HB ARG 15 1HB ARG 15 20.796 -2.778 -10.400 113 1HG ARG 15 2HG ARG 15 20.364 -0.209 -11.945 114 2HG ARG 15 1HG ARG 15 20.914 -0.257 -10.269 115 1HD ARG 15 2HD ARG 15 22.555 -2.091 -11.592 116 2HD ARG 15 1HD ARG 15 22.421 -0.740 -12.715 117 HE ARG 15 HE ARG 15 24.094 -0.707 -10.493 118 1HH1 ARG 15 1HH2 ARG 15 21.359 1.093 -11.591 119 2HH1 ARG 15 2HH2 ARG 15 21.783 2.520 -10.709 120 1HH2 ARG 15 2HH1 ARG 15 24.657 1.145 -9.344 121 2HH2 ARG 15 1HH1 ARG 15 23.650 2.552 -9.439 122 H ASN 16 H ASN 16 18.547 -0.661 -12.633 123 HA ASN 16 HA ASN 16 15.965 -2.088 -12.878 124 1HB ASN 16 2HB ASN 16 15.271 0.500 -13.104 125 2HB ASN 16 1HB ASN 16 15.557 -0.261 -11.539 126 1HD2 ASN 16 1HD2 ASN 16 16.609 1.369 -10.347 127 2HD2 ASN 16 2HD2 ASN 16 18.002 2.185 -10.869 128 H VAL 17 H VAL 17 16.129 -2.990 -14.984 129 HA VAL 17 HA VAL 17 16.030 -0.961 -17.178 130 HB VAL 17 HB VAL 17 18.192 -2.083 -17.300 131 1HG1 VAL 17 1HG1 VAL 17 16.684 -4.698 -17.518 132 2HG1 VAL 17 2HG1 VAL 17 17.358 -4.112 -15.997 133 3HG1 VAL 17 3HG1 VAL 17 18.424 -4.465 -17.357 134 1HG2 VAL 17 1HG2 VAL 17 17.094 -3.653 -19.448 135 2HG2 VAL 17 2HG2 VAL 17 17.950 -2.114 -19.541 136 3HG2 VAL 17 3HG2 VAL 17 16.200 -2.136 -19.334 137 H GLY 18 H GLY 18 14.352 -1.257 -18.620 138 1HA GLY 18 2HA GLY 18 12.521 -2.306 -19.678 139 2HA GLY 18 1HA GLY 18 13.023 -3.829 -18.941 140 H SER 19 H SER 19 10.954 -1.062 -18.625 141 HA SER 19 HA SER 19 9.399 -0.472 -16.941 142 1HB SER 19 2HB SER 19 8.512 -2.560 -18.219 143 2HB SER 19 1HB SER 19 8.918 -3.441 -16.750 144 HG SER 19 HG SER 19 7.645 -1.179 -16.111 145 H LEU 20 H LEU 20 8.664 -2.645 -14.887 146 HA LEU 20 HA LEU 20 10.999 -2.143 -13.084 147 1HB LEU 20 2HB LEU 20 8.136 -1.719 -12.740 148 2HB LEU 20 1HB LEU 20 8.799 -2.750 -11.471 149 HG LEU 20 HG LEU 20 8.924 -0.312 -10.916 150 1HD1 LEU 20 1HD1 LEU 20 11.771 -0.914 -11.175 151 2HD1 LEU 20 2HD1 LEU 20 10.848 -2.301 -10.594 152 3HD1 LEU 20 3HD1 LEU 20 10.786 -0.769 -9.720 153 1HD2 LEU 20 1HD2 LEU 20 9.788 -0.128 -13.589 154 2HD2 LEU 20 2HD2 LEU 20 11.211 0.246 -12.616 155 3HD2 LEU 20 3HD2 LEU 20 9.730 1.179 -12.407 156 H ASP 21 H ASP 21 11.941 -3.923 -12.156 157 HA ASP 21 HA ASP 21 12.309 -6.174 -11.593 158 1HB ASP 21 2HB ASP 21 9.530 -5.737 -11.184 159 2HB ASP 21 1HB ASP 21 9.686 -7.281 -12.023 160 H LYS 22 H LYS 22 13.491 -7.022 -13.265 161 HA LYS 22 HA LYS 22 12.515 -7.287 -15.957 162 1HB LYS 22 2HB LYS 22 14.532 -8.839 -16.195 163 2HB LYS 22 1HB LYS 22 14.885 -7.198 -15.653 164 1HG LYS 22 2HG LYS 22 15.184 -7.882 -13.404 165 2HG LYS 22 1HG LYS 22 14.398 -9.436 -13.687 166 1HD LYS 22 2HD LYS 22 16.258 -10.102 -15.176 167 2HD LYS 22 1HD LYS 22 17.051 -8.557 -14.864 168 1HE LYS 22 2HE LYS 22 16.882 -10.958 -13.162 169 2HE LYS 22 1HE LYS 22 18.081 -9.665 -13.169 170 1HZ LYS 22 1HZ LYS 22 15.428 -9.687 -11.861 171 2HZ LYS 22 2HZ LYS 22 16.295 -8.249 -12.123 172 3HZ LYS 22 3HZ LYS 22 16.949 -9.474 -11.142 173 H LYS 23 H LYS 23 11.603 -8.939 -13.228 174 HA LYS 23 HA LYS 23 11.558 -11.659 -13.885 175 1HB LYS 23 2HB LYS 23 10.494 -10.220 -11.867 176 2HB LYS 23 1HB LYS 23 9.027 -10.532 -12.795 177 1HG LYS 23 2HG LYS 23 9.630 -12.968 -12.818 178 2HG LYS 23 1HG LYS 23 10.979 -12.599 -11.744 179 1HD LYS 23 2HD LYS 23 9.437 -11.733 -10.052 180 2HD LYS 23 1HD LYS 23 8.069 -12.002 -11.132 181 1HE LYS 23 2HE LYS 23 9.813 -14.353 -10.654 182 2HE LYS 23 1HE LYS 23 8.867 -13.807 -9.270 183 1HZ LYS 23 1HZ LYS 23 8.004 -15.183 -11.595 184 2HZ LYS 23 2HZ LYS 23 7.162 -13.716 -11.431 185 3HZ LYS 23 3HZ LYS 23 7.150 -14.852 -10.168 186 H ASP 24 H ASP 24 9.686 -9.031 -15.261 187 HA ASP 24 HA ASP 24 8.034 -9.034 -16.944 188 1HB ASP 24 2HB ASP 24 10.229 -10.851 -17.755 189 2HB ASP 24 1HB ASP 24 8.725 -11.031 -18.659 190 H SER 25 H SER 25 6.901 -11.096 -18.436 191 HA SER 25 HA SER 25 5.206 -12.713 -18.292 192 1HB SER 25 2HB SER 25 7.299 -13.563 -16.395 193 2HB SER 25 1HB SER 25 5.702 -14.223 -16.058 194 HG SER 25 HG SER 25 6.371 -14.232 -18.715 195 H ASN 26 H ASN 26 5.649 -10.311 -16.054 196 HA ASN 26 HA ASN 26 2.882 -10.399 -15.200 197 1HB ASN 26 2HB ASN 26 3.286 -10.685 -12.794 198 2HB ASN 26 1HB ASN 26 3.850 -12.106 -13.675 199 1HD2 ASN 26 1HD2 ASN 26 5.004 -9.076 -12.148 200 2HD2 ASN 26 2HD2 ASN 26 6.593 -9.620 -11.902 201 H VAL 27 H VAL 27 4.936 -8.589 -16.402 202 HA VAL 27 HA VAL 27 4.661 -6.351 -14.436 203 HB VAL 27 HB VAL 27 6.965 -7.011 -16.285 204 1HG1 VAL 27 1HG1 VAL 27 6.083 -4.431 -15.077 205 2HG1 VAL 27 2HG1 VAL 27 6.958 -4.726 -16.579 206 3HG1 VAL 27 3HG1 VAL 27 7.808 -4.793 -15.035 207 1HG2 VAL 27 1HG2 VAL 27 6.709 -7.991 -13.897 208 2HG2 VAL 27 2HG2 VAL 27 7.038 -6.350 -13.341 209 3HG2 VAL 27 3HG2 VAL 27 8.239 -7.213 -14.302 210 H GLY 28 H GLY 28 2.763 -5.546 -15.435 211 1HA GLY 28 2HA GLY 28 2.813 -4.980 -18.330 212 2HA GLY 28 1HA GLY 28 1.448 -4.709 -17.247 213 H THR 29 H THR 29 2.877 -2.883 -19.204 214 HA THR 29 HA THR 29 3.261 -0.637 -17.278 215 HB THR 29 HB THR 29 4.957 -0.922 -19.761 216 HG1 THR 29 HG1 THR 29 6.411 -1.451 -17.669 217 1HG2 THR 29 1HG2 THR 29 5.810 1.043 -19.083 218 2HG2 THR 29 2HG2 THR 29 6.124 0.401 -17.471 219 3HG2 THR 29 3HG2 THR 29 4.553 1.106 -17.848 220 H GLY 30 H GLY 30 2.070 1.131 -17.856 221 1HA GLY 30 2HA GLY 30 0.968 1.182 -20.638 222 2HA GLY 30 1HA GLY 30 0.079 1.769 -19.233 223 H MET 31 H MET 31 1.165 3.107 -21.788 224 HA MET 31 HA MET 31 2.311 5.454 -20.357 225 1HB MET 31 2HB MET 31 3.941 3.827 -21.790 226 2HB MET 31 1HB MET 31 3.395 4.915 -23.066 227 1HG MET 31 2HG MET 31 3.926 6.784 -21.281 228 2HG MET 31 1HG MET 31 4.965 5.539 -20.589 229 1HE MET 31 1HE MET 31 7.862 7.192 -22.218 230 2HE MET 31 2HE MET 31 7.259 6.186 -20.904 231 3HE MET 31 3HE MET 31 6.585 7.795 -21.152 232 H VAL 32 H VAL 32 1.150 7.239 -20.862 233 HA VAL 32 HA VAL 32 -0.046 7.458 -23.578 234 HB VAL 32 HB VAL 32 -2.033 8.549 -22.078 235 1HG1 VAL 32 1HG1 VAL 32 -3.008 6.075 -22.267 236 2HG1 VAL 32 2HG1 VAL 32 -1.555 5.833 -23.239 237 3HG1 VAL 32 3HG1 VAL 32 -2.735 7.059 -23.704 238 1HG2 VAL 32 1HG2 VAL 32 -0.960 7.860 -19.964 239 2HG2 VAL 32 2HG2 VAL 32 -0.952 6.183 -20.510 240 3HG2 VAL 32 3HG2 VAL 32 -2.482 7.002 -20.198 241 H GLY 33 H GLY 33 -0.923 9.792 -23.861 242 1HA GLY 33 2HA GLY 33 0.228 11.828 -22.115 243 2HA GLY 33 1HA GLY 33 1.066 11.687 -23.661 244 H ALA 34 H ALA 34 -0.780 13.813 -22.454 245 HA ALA 34 HA ALA 34 -2.811 13.863 -24.644 246 1HB ALA 34 1HB ALA 34 -3.593 15.850 -22.961 247 2HB ALA 34 2HB ALA 34 -2.815 14.756 -21.818 248 3HB ALA 34 3HB ALA 34 -4.150 14.183 -22.820 249 HA PRO 35 HA PRO 35 -0.251 17.202 -26.205 250 1HB PRO 35 2HB PRO 35 -1.758 17.847 -28.369 251 2HB PRO 35 1HB PRO 35 -0.767 16.377 -28.302 252 1HG PRO 35 2HG PRO 35 -3.699 16.703 -27.931 253 2HG PRO 35 1HG PRO 35 -2.798 15.406 -28.732 254 1HD PRO 35 2HD PRO 35 -3.826 15.223 -26.168 255 2HD PRO 35 1HD PRO 35 -2.465 14.254 -26.772 256 H ALA 36 H ALA 36 -3.793 17.711 -26.083 257 HA ALA 36 HA ALA 36 -4.051 20.425 -26.277 258 1HB ALA 36 1HB ALA 36 -6.105 19.741 -25.640 259 2HB ALA 36 2HB ALA 36 -5.539 19.906 -23.977 260 3HB ALA 36 3HB ALA 36 -5.449 18.343 -24.788 261 H CYS 37 H CYS 37 -3.190 18.813 -23.183 262 HA CYS 37 HA CYS 37 -1.990 21.421 -22.336 263 1HB CYS 37 2HB CYS 37 -3.674 19.457 -20.960 264 2HB CYS 37 1HB CYS 37 -2.223 19.872 -20.049 265 HG CYS 37 HG CYS 37 -4.532 21.806 -20.723 266 H GLY 38 H GLY 38 -0.708 19.255 -23.946 267 1HA GLY 38 2HA GLY 38 1.184 17.812 -23.841 268 2HA GLY 38 1HA GLY 38 1.882 19.269 -23.132 269 H ASP 39 H ASP 39 -0.470 16.855 -21.916 270 HA ASP 39 HA ASP 39 1.135 16.737 -19.407 271 1HB ASP 39 2HB ASP 39 -1.694 15.810 -19.994 272 2HB ASP 39 1HB ASP 39 -0.896 15.705 -18.424 273 H VAL 40 H VAL 40 2.602 15.096 -19.448 274 HA VAL 40 HA VAL 40 1.921 12.606 -20.927 275 HB VAL 40 HB VAL 40 4.086 13.527 -21.490 276 1HG1 VAL 40 1HG1 VAL 40 4.069 14.427 -18.849 277 2HG1 VAL 40 2HG1 VAL 40 5.400 14.593 -19.993 278 3HG1 VAL 40 3HG1 VAL 40 5.359 13.225 -18.881 279 1HG2 VAL 40 1HG2 VAL 40 5.231 11.547 -21.347 280 2HG2 VAL 40 2HG2 VAL 40 3.695 10.956 -20.715 281 3HG2 VAL 40 3HG2 VAL 40 4.987 11.415 -19.605 282 H MET 41 H MET 41 1.415 10.760 -19.826 283 HA MET 41 HA MET 41 2.162 10.583 -16.946 284 1HB MET 41 2HB MET 41 -0.119 11.309 -16.857 285 2HB MET 41 1HB MET 41 -0.592 10.197 -18.142 286 1HG MET 41 2HG MET 41 0.684 8.978 -15.749 287 2HG MET 41 1HG MET 41 -0.940 9.629 -15.526 288 1HE MET 41 1HE MET 41 -2.885 6.712 -16.211 289 2HE MET 41 2HE MET 41 -3.160 8.433 -16.469 290 3HE MET 41 3HE MET 41 -2.239 7.896 -15.067 291 H GLN 42 H GLN 42 2.400 8.404 -16.197 292 HA GLN 42 HA GLN 42 2.189 6.287 -18.286 293 1HB GLN 42 2HB GLN 42 4.482 6.673 -18.447 294 2HB GLN 42 1HB GLN 42 4.626 7.137 -16.752 295 1HG GLN 42 2HG GLN 42 4.644 4.932 -16.006 296 2HG GLN 42 1HG GLN 42 3.790 4.337 -17.430 297 1HE2 GLN 42 1HE2 GLN 42 5.705 2.724 -17.410 298 2HE2 GLN 42 2HE2 GLN 42 7.125 3.195 -18.211 299 H LEU 43 H LEU 43 0.862 4.766 -17.425 300 HA LEU 43 HA LEU 43 0.888 4.392 -14.466 301 1HB LEU 43 2HB LEU 43 -1.276 4.936 -15.786 302 2HB LEU 43 1HB LEU 43 -1.180 3.271 -16.359 303 HG LEU 43 HG LEU 43 -0.847 3.623 -13.434 304 1HD1 LEU 43 1HD1 LEU 43 -2.619 5.283 -13.950 305 2HD1 LEU 43 2HD1 LEU 43 -3.252 3.907 -13.046 306 3HD1 LEU 43 3HD1 LEU 43 -3.533 4.026 -14.783 307 1HD2 LEU 43 1HD2 LEU 43 -2.436 1.653 -13.513 308 2HD2 LEU 43 2HD2 LEU 43 -0.919 1.402 -14.376 309 3HD2 LEU 43 3HD2 LEU 43 -2.393 1.774 -15.271 310 H GLN 44 H GLN 44 1.271 2.332 -13.598 311 HA GLN 44 HA GLN 44 1.858 0.144 -15.538 312 1HB GLN 44 2HB GLN 44 4.055 0.740 -15.106 313 2HB GLN 44 1HB GLN 44 3.680 1.364 -13.499 314 1HG GLN 44 2HG GLN 44 3.457 -0.872 -12.609 315 2HG GLN 44 1HG GLN 44 3.583 -1.578 -14.221 316 1HE2 GLN 44 1HE2 GLN 44 5.717 -1.528 -15.277 317 2HE2 GLN 44 2HE2 GLN 44 7.128 -1.267 -14.371 318 H ILE 45 H ILE 45 1.874 -2.016 -14.439 319 HA ILE 45 HA ILE 45 0.545 -2.082 -11.794 320 HB ILE 45 HB ILE 45 -1.122 -3.779 -12.788 321 1HG1 ILE 45 2HG1 ILE 45 -0.908 -2.327 -15.363 322 2HG1 ILE 45 1HG1 ILE 45 0.383 -3.487 -15.043 323 1HG2 ILE 45 1HG2 ILE 45 -1.558 -1.350 -12.080 324 2HG2 ILE 45 2HG2 ILE 45 -2.702 -2.053 -13.223 325 3HG2 ILE 45 3HG2 ILE 45 -1.453 -0.947 -13.793 326 1HD1 ILE 45 1HD1 ILE 45 -1.665 -4.427 -16.233 327 2HD1 ILE 45 2HD1 ILE 45 -2.546 -4.176 -14.727 328 3HD1 ILE 45 3HD1 ILE 45 -1.175 -5.284 -14.772 329 H LYS 46 H LYS 46 0.501 -4.335 -10.922 330 HA LYS 46 HA LYS 46 2.559 -6.081 -12.209 331 1HB LYS 46 2HB LYS 46 2.260 -5.623 -9.225 332 2HB LYS 46 1HB LYS 46 3.509 -6.573 -10.031 333 1HG LYS 46 2HG LYS 46 3.483 -3.963 -11.206 334 2HG LYS 46 1HG LYS 46 3.525 -3.775 -9.453 335 1HD LYS 46 2HD LYS 46 5.392 -5.528 -9.458 336 2HD LYS 46 1HD LYS 46 5.464 -5.293 -11.205 337 1HE LYS 46 2HE LYS 46 5.751 -3.075 -9.156 338 2HE LYS 46 1HE LYS 46 7.097 -3.858 -9.983 339 1HZ LYS 46 1HZ LYS 46 6.435 -3.007 -12.029 340 2HZ LYS 46 2HZ LYS 46 6.201 -1.705 -10.964 341 3HZ LYS 46 3HZ LYS 46 4.873 -2.627 -11.487 342 H VAL 47 H VAL 47 2.030 -8.260 -12.232 343 HA VAL 47 HA VAL 47 -0.643 -8.954 -11.106 344 HB VAL 47 HB VAL 47 0.922 -10.676 -13.020 345 1HG1 VAL 47 1HG1 VAL 47 -1.971 -10.352 -13.335 346 2HG1 VAL 47 2HG1 VAL 47 -1.524 -10.931 -11.730 347 3HG1 VAL 47 3HG1 VAL 47 -1.020 -11.828 -13.161 348 1HG2 VAL 47 1HG2 VAL 47 -0.366 -9.460 -14.842 349 2HG2 VAL 47 2HG2 VAL 47 0.937 -8.526 -14.106 350 3HG2 VAL 47 3HG2 VAL 47 -0.738 -8.218 -13.647 351 H ASP 48 H ASP 48 -0.878 -11.017 -9.998 352 HA ASP 48 HA ASP 48 1.507 -11.673 -8.386 353 1HB ASP 48 2HB ASP 48 -0.742 -11.379 -7.324 354 2HB ASP 48 1HB ASP 48 -1.306 -12.794 -8.212 355 H ASP 49 H ASP 49 -0.842 -13.409 -10.445 356 HA ASP 49 HA ASP 49 0.868 -14.958 -11.939 357 1HB ASP 49 2HB ASP 49 0.753 -17.148 -10.450 358 2HB ASP 49 1HB ASP 49 2.051 -15.978 -10.215 359 H ASN 50 H ASN 50 -2.054 -14.788 -10.063 360 HA ASN 50 HA ASN 50 -3.340 -16.841 -11.799 361 1HB ASN 50 2HB ASN 50 -4.280 -15.471 -9.261 362 2HB ASN 50 1HB ASN 50 -5.245 -16.626 -10.182 363 1HD2 ASN 50 1HD2 ASN 50 -3.031 -16.397 -7.629 364 2HD2 ASN 50 2HD2 ASN 50 -2.534 -18.019 -7.583 365 H GLY 51 H GLY 51 -2.958 -13.477 -11.519 366 1HA GLY 51 2HA GLY 51 -3.864 -12.237 -13.528 367 2HA GLY 51 1HA GLY 51 -5.398 -13.041 -13.197 368 H ILE 52 H ILE 52 -3.828 -12.267 -10.316 369 HA ILE 52 HA ILE 52 -5.695 -9.995 -9.905 370 HB ILE 52 HB ILE 52 -3.940 -11.136 -7.751 371 1HG1 ILE 52 2HG1 ILE 52 -4.909 -13.079 -8.957 372 2HG1 ILE 52 1HG1 ILE 52 -5.604 -12.901 -7.346 373 1HG2 ILE 52 1HG2 ILE 52 -5.823 -10.531 -6.347 374 2HG2 ILE 52 2HG2 ILE 52 -6.823 -10.199 -7.761 375 3HG2 ILE 52 3HG2 ILE 52 -5.449 -9.157 -7.388 376 1HD1 ILE 52 1HD1 ILE 52 -7.379 -13.332 -8.986 377 2HD1 ILE 52 2HD1 ILE 52 -6.855 -11.944 -9.939 378 3HD1 ILE 52 3HD1 ILE 52 -7.540 -11.702 -8.333 379 H ILE 53 H ILE 53 -4.933 -7.959 -9.137 380 HA ILE 53 HA ILE 53 -2.159 -7.362 -9.966 381 HB ILE 53 HB ILE 53 -4.512 -5.628 -9.178 382 1HG1 ILE 53 2HG1 ILE 53 -2.924 -5.888 -11.753 383 2HG1 ILE 53 1HG1 ILE 53 -4.489 -6.647 -11.459 384 1HG2 ILE 53 1HG2 ILE 53 -2.798 -3.816 -10.074 385 2HG2 ILE 53 2HG2 ILE 53 -1.606 -4.987 -9.510 386 3HG2 ILE 53 3HG2 ILE 53 -2.776 -4.307 -8.379 387 1HD1 ILE 53 1HD1 ILE 53 -5.404 -4.332 -10.971 388 2HD1 ILE 53 2HD1 ILE 53 -4.919 -4.599 -12.646 389 3HD1 ILE 53 3HD1 ILE 53 -3.873 -3.684 -11.561 390 H GLU 54 H GLU 54 -0.868 -8.167 -8.278 391 HA GLU 54 HA GLU 54 -1.417 -7.946 -5.505 392 1HB GLU 54 2HB GLU 54 0.994 -8.304 -5.177 393 2HB GLU 54 1HB GLU 54 0.382 -9.371 -6.441 394 1HG GLU 54 2HG GLU 54 1.081 -7.503 -8.087 395 2HG GLU 54 1HG GLU 54 2.024 -6.858 -6.744 396 H ASP 55 H ASP 55 0.422 -5.750 -7.645 397 HA ASP 55 HA ASP 55 -0.109 -3.580 -5.671 398 1HB ASP 55 2HB ASP 55 2.374 -4.750 -5.916 399 2HB ASP 55 1HB ASP 55 2.498 -3.375 -7.013 400 H ALA 56 H ALA 56 0.344 -1.384 -6.718 401 HA ALA 56 HA ALA 56 0.208 -1.369 -9.664 402 1HB ALA 56 1HB ALA 56 -2.030 -1.140 -9.772 403 2HB ALA 56 2HB ALA 56 -1.886 0.360 -8.855 404 3HB ALA 56 3HB ALA 56 -2.147 -1.167 -8.013 405 H LYS 57 H LYS 57 2.014 -0.049 -9.803 406 HA LYS 57 HA LYS 57 2.062 2.432 -8.167 407 1HB LYS 57 2HB LYS 57 4.063 0.624 -9.006 408 2HB LYS 57 1HB LYS 57 4.346 2.110 -9.913 409 1HG LYS 57 2HG LYS 57 4.354 3.414 -7.847 410 2HG LYS 57 1HG LYS 57 3.965 1.972 -6.908 411 1HD LYS 57 2HD LYS 57 6.245 1.907 -6.649 412 2HD LYS 57 1HD LYS 57 6.153 1.067 -8.198 413 1HE LYS 57 2HE LYS 57 6.245 3.504 -9.193 414 2HE LYS 57 1HE LYS 57 6.955 3.903 -7.628 415 1HZ LYS 57 1HZ LYS 57 8.234 1.616 -8.386 416 2HZ LYS 57 2HZ LYS 57 8.860 3.193 -8.490 417 3HZ LYS 57 3HZ LYS 57 8.098 2.489 -9.835 418 H PHE 58 H PHE 58 2.582 4.483 -9.284 419 HA PHE 58 HA PHE 58 1.912 4.504 -12.183 420 1HB PHE 58 2HB PHE 58 0.343 6.376 -11.842 421 2HB PHE 58 1HB PHE 58 -0.190 4.945 -10.958 422 HD1 PHE 58 HD1 PHE 58 0.879 8.396 -10.705 423 HD2 PHE 58 HD2 PHE 58 0.332 4.760 -8.483 424 HE1 PHE 58 HE1 PHE 58 0.933 9.682 -8.586 425 HE2 PHE 58 HE2 PHE 58 0.387 6.047 -6.364 426 HZ PHE 58 HZ PHE 58 0.687 8.509 -6.415 427 H LYS 59 H LYS 59 2.039 7.095 -12.780 428 HA LYS 59 HA LYS 59 4.038 8.608 -11.361 429 1HB LYS 59 2HB LYS 59 4.975 6.597 -13.232 430 2HB LYS 59 1HB LYS 59 5.445 8.211 -13.764 431 1HG LYS 59 2HG LYS 59 6.574 8.669 -11.714 432 2HG LYS 59 1HG LYS 59 5.844 7.274 -10.918 433 1HD LYS 59 2HD LYS 59 7.033 5.871 -12.746 434 2HD LYS 59 1HD LYS 59 8.006 7.317 -13.018 435 1HE LYS 59 2HE LYS 59 9.306 6.335 -11.392 436 2HE LYS 59 1HE LYS 59 8.189 7.210 -10.344 437 1HZ LYS 59 1HZ LYS 59 8.238 5.009 -9.561 438 2HZ LYS 59 2HZ LYS 59 8.098 4.354 -11.122 439 3HZ LYS 59 3HZ LYS 59 6.776 5.149 -10.411 440 H THR 60 H THR 60 2.276 10.124 -11.789 441 HA THR 60 HA THR 60 1.870 10.903 -14.617 442 HB THR 60 HB THR 60 0.090 12.333 -13.758 443 HG1 THR 60 HG1 THR 60 1.467 11.882 -11.404 444 1HG2 THR 60 1HG2 THR 60 0.174 9.547 -13.542 445 2HG2 THR 60 2HG2 THR 60 -1.274 10.553 -13.541 446 3HG2 THR 60 3HG2 THR 60 -0.522 10.088 -12.015 447 H TYR 61 H TYR 61 2.370 13.012 -15.385 448 HA TYR 61 HA TYR 61 3.755 14.902 -13.609 449 1HB TYR 61 2HB TYR 61 5.439 13.127 -14.514 450 2HB TYR 61 1HB TYR 61 5.256 13.973 -16.050 451 HD1 TYR 61 HD1 TYR 61 6.364 14.295 -12.535 452 HD2 TYR 61 HD2 TYR 61 6.123 16.205 -16.375 453 HE1 TYR 61 HE1 TYR 61 7.936 16.049 -11.761 454 HE2 TYR 61 HE2 TYR 61 7.696 17.961 -15.601 455 HH TYR 61 HH TYR 61 8.974 17.942 -12.270 456 H GLY 62 H GLY 62 3.618 17.001 -14.424 457 1HA GLY 62 2HA GLY 62 3.535 18.403 -16.540 458 2HA GLY 62 1HA GLY 62 2.311 17.263 -17.103 459 H CYS 63 H CYS 63 0.266 17.178 -15.879 460 HA CYS 63 HA CYS 63 -0.567 19.867 -15.059 461 1HB CYS 63 2HB CYS 63 -2.300 18.877 -16.224 462 2HB CYS 63 1HB CYS 63 -1.923 17.264 -15.620 463 HG CYS 63 HG CYS 63 -2.942 19.136 -13.426 464 H GLY 64 H GLY 64 -0.948 20.532 -12.967 465 1HA GLY 64 2HA GLY 64 -0.040 18.722 -10.815 466 2HA GLY 64 1HA GLY 64 -0.373 20.447 -10.644 467 H SER 65 H SER 65 -2.421 17.833 -11.946 468 HA SER 65 HA SER 65 -4.213 18.004 -9.619 469 1HB SER 65 2HB SER 65 -4.765 19.356 -12.186 470 2HB SER 65 1HB SER 65 -6.078 18.342 -11.593 471 HG SER 65 HG SER 65 -4.844 19.894 -9.680 472 H ALA 66 H ALA 66 -3.886 16.831 -12.982 473 HA ALA 66 HA ALA 66 -5.623 14.642 -12.882 474 1HB ALA 66 1HB ALA 66 -4.731 14.686 -14.977 475 2HB ALA 66 2HB ALA 66 -3.513 13.607 -14.298 476 3HB ALA 66 3HB ALA 66 -3.194 15.337 -14.407 477 H ILE 67 H ILE 67 -2.815 15.169 -11.011 478 HA ILE 67 HA ILE 67 -1.987 12.453 -10.584 479 HB ILE 67 HB ILE 67 -1.755 14.892 -8.795 480 1HG1 ILE 67 2HG1 ILE 67 0.606 13.746 -10.152 481 2HG1 ILE 67 1HG1 ILE 67 -0.596 14.442 -11.240 482 1HG2 ILE 67 1HG2 ILE 67 -1.069 12.073 -8.396 483 2HG2 ILE 67 2HG2 ILE 67 -1.114 13.392 -7.225 484 3HG2 ILE 67 3HG2 ILE 67 0.323 13.142 -8.217 485 1HD1 ILE 67 1HD1 ILE 67 0.916 16.215 -10.642 486 2HD1 ILE 67 2HD1 ILE 67 0.802 15.812 -8.929 487 3HD1 ILE 67 3HD1 ILE 67 -0.588 16.503 -9.767 488 H ALA 68 H ALA 68 -4.665 14.323 -9.405 489 HA ALA 68 HA ALA 68 -5.196 12.766 -7.031 490 1HB ALA 68 1HB ALA 68 -6.253 15.068 -8.175 491 2HB ALA 68 2HB ALA 68 -6.881 14.251 -6.744 492 3HB ALA 68 3HB ALA 68 -7.561 13.897 -8.333 493 H SER 69 H SER 69 -7.101 12.855 -10.067 494 HA SER 69 HA SER 69 -8.571 10.525 -9.696 495 1HB SER 69 2HB SER 69 -8.516 10.302 -12.220 496 2HB SER 69 1HB SER 69 -8.990 11.893 -11.632 497 HG SER 69 HG SER 69 -6.348 11.147 -12.364 498 H SER 70 H SER 70 -5.376 10.721 -11.311 499 HA SER 70 HA SER 70 -4.956 7.991 -11.760 500 1HB SER 70 2HB SER 70 -2.586 8.474 -11.750 501 2HB SER 70 1HB SER 70 -3.413 9.875 -12.426 502 HG SER 70 HG SER 70 -1.900 9.665 -10.191 503 H SER 71 H SER 71 -4.707 9.808 -8.749 504 HA SER 71 HA SER 71 -3.484 7.671 -7.227 505 1HB SER 71 2HB SER 71 -3.911 10.311 -6.745 506 2HB SER 71 1HB SER 71 -5.231 9.610 -5.814 507 HG SER 71 HG SER 71 -3.055 8.150 -5.400 508 H LEU 72 H LEU 72 -6.818 8.687 -7.863 509 HA LEU 72 HA LEU 72 -8.049 6.859 -6.013 510 1HB LEU 72 2HB LEU 72 -9.210 8.826 -7.026 511 2HB LEU 72 1HB LEU 72 -9.194 7.997 -8.583 512 HG LEU 72 HG LEU 72 -10.226 6.113 -6.777 513 1HD1 LEU 72 1HD1 LEU 72 -12.053 7.269 -5.661 514 2HD1 LEU 72 2HD1 LEU 72 -11.570 8.804 -6.384 515 3HD1 LEU 72 3HD1 LEU 72 -10.532 8.029 -5.187 516 1HD2 LEU 72 1HD2 LEU 72 -11.567 7.973 -8.764 517 2HD2 LEU 72 2HD2 LEU 72 -12.357 6.572 -8.040 518 3HD2 LEU 72 3HD2 LEU 72 -10.951 6.350 -9.081 519 H ILE 73 H ILE 73 -8.108 6.662 -9.590 520 HA ILE 73 HA ILE 73 -8.924 4.035 -9.878 521 HB ILE 73 HB ILE 73 -8.554 5.403 -11.830 522 1HG1 ILE 73 2HG1 ILE 73 -6.565 3.108 -11.805 523 2HG1 ILE 73 1HG1 ILE 73 -8.292 2.954 -12.127 524 1HG2 ILE 73 1HG2 ILE 73 -6.551 6.433 -12.374 525 2HG2 ILE 73 2HG2 ILE 73 -5.579 5.195 -11.577 526 3HG2 ILE 73 3HG2 ILE 73 -6.415 6.415 -10.616 527 1HD1 ILE 73 1HD1 ILE 73 -7.356 5.005 -13.834 528 2HD1 ILE 73 2HD1 ILE 73 -7.874 3.384 -14.296 529 3HD1 ILE 73 3HD1 ILE 73 -6.176 3.699 -13.942 530 H THR 74 H THR 74 -5.618 5.142 -9.150 531 HA THR 74 HA THR 74 -4.307 2.641 -9.356 532 HB THR 74 HB THR 74 -2.820 3.689 -7.462 533 HG1 THR 74 HG1 THR 74 -3.417 6.142 -7.965 534 1HG2 THR 74 1HG2 THR 74 -3.249 4.600 -10.281 535 2HG2 THR 74 2HG2 THR 74 -1.870 3.757 -9.575 536 3HG2 THR 74 3HG2 THR 74 -2.097 5.480 -9.276 537 H GLU 75 H GLU 75 -5.868 4.122 -6.492 538 HA GLU 75 HA GLU 75 -5.413 1.732 -4.881 539 1HB GLU 75 2HB GLU 75 -5.519 3.861 -3.742 540 2HB GLU 75 1HB GLU 75 -7.103 4.208 -4.437 541 1HG GLU 75 2HG GLU 75 -8.195 2.704 -3.049 542 2HG GLU 75 1HG GLU 75 -6.762 1.696 -2.843 543 H TRP 76 H TRP 76 -7.864 2.823 -7.074 544 HA TRP 76 HA TRP 76 -9.955 1.074 -6.007 545 1HB TRP 76 2HB TRP 76 -9.876 3.269 -7.755 546 2HB TRP 76 1HB TRP 76 -10.342 1.904 -8.768 547 HD1 TRP 76 HD1 TRP 76 -11.257 2.669 -5.088 548 HE1 TRP 76 HE1 TRP 76 -13.826 2.627 -4.876 549 HE3 TRP 76 HE3 TRP 76 -12.530 1.862 -9.968 550 HZ2 TRP 76 HZ2 TRP 76 -16.117 2.295 -6.556 551 HZ3 TRP 76 HZ3 TRP 76 -14.911 1.688 -10.634 552 HH2 TRP 76 HH2 TRP 76 -16.705 1.903 -8.935 553 H VAL 77 H VAL 77 -7.197 0.647 -7.933 554 HA VAL 77 HA VAL 77 -8.305 -1.937 -8.959 555 HB VAL 77 HB VAL 77 -6.887 -1.713 -10.927 556 1HG1 VAL 77 1HG1 VAL 77 -8.506 -0.484 -11.896 557 2HG1 VAL 77 2HG1 VAL 77 -7.884 0.986 -11.146 558 3HG1 VAL 77 3HG1 VAL 77 -9.062 -0.010 -10.291 559 1HG2 VAL 77 1HG2 VAL 77 -4.944 -0.596 -10.408 560 2HG2 VAL 77 2HG2 VAL 77 -5.758 0.521 -9.312 561 3HG2 VAL 77 3HG2 VAL 77 -5.847 0.774 -11.055 562 H LYS 78 H LYS 78 -6.678 -1.043 -6.503 563 HA LYS 78 HA LYS 78 -4.139 -2.493 -6.936 564 1HB LYS 78 2HB LYS 78 -4.344 -0.348 -5.560 565 2HB LYS 78 1HB LYS 78 -5.170 -1.322 -4.343 566 1HG LYS 78 2HG LYS 78 -3.069 -2.905 -4.650 567 2HG LYS 78 1HG LYS 78 -2.308 -1.423 -5.229 568 1HD LYS 78 2HD LYS 78 -3.647 -0.584 -2.951 569 2HD LYS 78 1HD LYS 78 -3.061 -2.185 -2.500 570 1HE LYS 78 2HE LYS 78 -1.286 -0.108 -3.800 571 2HE LYS 78 1HE LYS 78 -1.456 -0.254 -2.052 572 1HZ LYS 78 1HZ LYS 78 0.434 -1.518 -2.853 573 2HZ LYS 78 2HZ LYS 78 -0.570 -2.408 -3.895 574 3HZ LYS 78 3HZ LYS 78 -0.742 -2.558 -2.211 575 H GLY 79 H GLY 79 -4.621 -4.685 -7.077 576 1HA GLY 79 2HA GLY 79 -4.755 -6.744 -5.786 577 2HA GLY 79 1HA GLY 79 -5.770 -5.903 -4.615 578 H LYS 80 H LYS 80 -6.901 -4.866 -7.498 579 HA LYS 80 HA LYS 80 -9.205 -6.675 -7.371 580 1HB LYS 80 2HB LYS 80 -8.526 -4.313 -9.145 581 2HB LYS 80 1HB LYS 80 -10.019 -5.241 -9.300 582 1HG LYS 80 2HG LYS 80 -9.649 -4.594 -6.533 583 2HG LYS 80 1HG LYS 80 -9.456 -3.118 -7.477 584 1HD LYS 80 2HD LYS 80 -11.601 -3.709 -8.678 585 2HD LYS 80 1HD LYS 80 -11.817 -5.013 -7.511 586 1HE LYS 80 2HE LYS 80 -12.730 -3.546 -6.073 587 2HE LYS 80 1HE LYS 80 -11.200 -2.669 -6.027 588 1HZ LYS 80 1HZ LYS 80 -12.027 -1.060 -7.290 589 2HZ LYS 80 2HZ LYS 80 -13.562 -1.739 -7.027 590 3HZ LYS 80 3HZ LYS 80 -12.675 -2.150 -8.416 591 H SER 81 H SER 81 -10.026 -7.552 -9.577 592 HA SER 81 HA SER 81 -7.798 -9.081 -10.773 593 1HB SER 81 2HB SER 81 -10.388 -9.617 -11.948 594 2HB SER 81 1HB SER 81 -9.349 -10.694 -11.019 595 HG SER 81 HG SER 81 -11.588 -9.870 -10.215 596 H LEU 82 H LEU 82 -7.388 -9.089 -13.051 597 HA LEU 82 HA LEU 82 -7.438 -6.586 -14.355 598 1HB LEU 82 2HB LEU 82 -7.258 -9.395 -15.475 599 2HB LEU 82 1HB LEU 82 -7.049 -7.949 -16.464 600 HG LEU 82 HG LEU 82 -5.440 -8.468 -13.954 601 1HD1 LEU 82 1HD1 LEU 82 -4.014 -8.727 -16.486 602 2HD1 LEU 82 2HD1 LEU 82 -5.287 -9.937 -16.324 603 3HD1 LEU 82 3HD1 LEU 82 -4.028 -9.811 -15.096 604 1HD2 LEU 82 1HD2 LEU 82 -3.984 -6.884 -15.680 605 2HD2 LEU 82 2HD2 LEU 82 -4.969 -6.278 -14.348 606 3HD2 LEU 82 3HD2 LEU 82 -5.634 -6.339 -15.980 607 H GLU 83 H GLU 83 -9.980 -8.831 -13.882 608 HA GLU 83 HA GLU 83 -11.555 -8.246 -16.222 609 1HB GLU 83 2HB GLU 83 -11.816 -10.143 -14.425 610 2HB GLU 83 1HB GLU 83 -12.789 -8.945 -13.571 611 1HG GLU 83 2HG GLU 83 -14.050 -8.634 -15.791 612 2HG GLU 83 1HG GLU 83 -13.266 -10.126 -16.309 613 H GLU 84 H GLU 84 -11.203 -6.711 -13.067 614 HA GLU 84 HA GLU 84 -13.395 -4.821 -13.638 615 1HB GLU 84 2HB GLU 84 -11.464 -5.097 -11.318 616 2HB GLU 84 1HB GLU 84 -12.690 -3.834 -11.421 617 1HG GLU 84 2HG GLU 84 -13.516 -6.692 -11.802 618 2HG GLU 84 1HG GLU 84 -13.228 -6.094 -10.167 619 H ALA 85 H ALA 85 -9.855 -4.709 -13.161 620 HA ALA 85 HA ALA 85 -9.657 -1.902 -13.832 621 1HB ALA 85 1HB ALA 85 -7.191 -2.486 -14.125 622 2HB ALA 85 2HB ALA 85 -7.627 -4.144 -13.714 623 3HB ALA 85 3HB ALA 85 -7.875 -2.851 -12.541 624 H GLY 86 H GLY 86 -10.392 -4.576 -15.701 625 1HA GLY 86 2HA GLY 86 -9.229 -3.322 -18.155 626 2HA GLY 86 1HA GLY 86 -9.623 -5.037 -18.017 627 H ALA 87 H ALA 87 -11.711 -2.487 -16.788 628 HA ALA 87 HA ALA 87 -13.496 -2.693 -19.132 629 1HB ALA 87 1HB ALA 87 -14.487 -3.398 -16.353 630 2HB ALA 87 2HB ALA 87 -14.108 -4.594 -17.593 631 3HB ALA 87 3HB ALA 87 -15.415 -3.438 -17.851 632 H ILE 88 H ILE 88 -12.801 -1.345 -15.940 633 HA ILE 88 HA ILE 88 -14.673 0.679 -15.693 634 HB ILE 88 HB ILE 88 -12.601 2.067 -14.839 635 1HG1 ILE 88 2HG1 ILE 88 -11.348 -0.662 -14.759 636 2HG1 ILE 88 1HG1 ILE 88 -11.126 0.347 -16.187 637 1HG2 ILE 88 1HG2 ILE 88 -12.493 0.062 -12.968 638 2HG2 ILE 88 2HG2 ILE 88 -14.023 -0.285 -13.774 639 3HG2 ILE 88 3HG2 ILE 88 -13.752 1.294 -13.036 640 1HD1 ILE 88 1HD1 ILE 88 -10.629 1.447 -13.424 641 2HD1 ILE 88 2HD1 ILE 88 -10.020 2.038 -14.970 642 3HD1 ILE 88 3HD1 ILE 88 -9.378 0.548 -14.281 643 H LYS 89 H LYS 89 -15.336 2.224 -17.102 644 HA LYS 89 HA LYS 89 -13.542 2.990 -19.336 645 1HB LYS 89 2HB LYS 89 -16.481 3.450 -18.779 646 2HB LYS 89 1HB LYS 89 -15.639 4.217 -20.126 647 1HG LYS 89 2HG LYS 89 -15.100 2.096 -21.111 648 2HG LYS 89 1HG LYS 89 -15.627 1.224 -19.670 649 1HD LYS 89 2HD LYS 89 -17.874 2.678 -20.299 650 2HD LYS 89 1HD LYS 89 -17.224 2.304 -21.896 651 1HE LYS 89 2HE LYS 89 -17.614 0.228 -19.725 652 2HE LYS 89 1HE LYS 89 -18.806 0.557 -20.983 653 1HZ LYS 89 1HZ LYS 89 -16.032 0.046 -21.777 654 2HZ LYS 89 2HZ LYS 89 -17.475 -0.297 -22.605 655 3HZ LYS 89 3HZ LYS 89 -16.987 -1.272 -21.302 656 H ASN 90 H ASN 90 -13.942 5.497 -19.924 657 HA ASN 90 HA ASN 90 -12.803 6.976 -17.689 658 1HB ASN 90 2HB ASN 90 -13.473 8.864 -19.589 659 2HB ASN 90 1HB ASN 90 -11.944 7.987 -19.530 660 1HD2 ASN 90 1HD2 ASN 90 -14.616 8.631 -21.518 661 2HD2 ASN 90 2HD2 ASN 90 -14.418 7.354 -22.619 662 H SER 91 H SER 91 -15.973 6.286 -18.739 663 HA SER 91 HA SER 91 -17.176 8.748 -17.689 664 1HB SER 91 2HB SER 91 -18.154 7.369 -19.585 665 2HB SER 91 1HB SER 91 -18.566 6.147 -18.386 666 HG SER 91 HG SER 91 -20.233 7.751 -18.871 667 H GLN 92 H GLN 92 -16.928 5.334 -16.687 668 HA GLN 92 HA GLN 92 -18.459 5.537 -14.305 669 1HB GLN 92 2HB GLN 92 -15.986 3.822 -14.673 670 2HB GLN 92 1HB GLN 92 -17.347 3.516 -13.593 671 1HG GLN 92 2HG GLN 92 -18.847 3.226 -15.495 672 2HG GLN 92 1HG GLN 92 -17.550 3.646 -16.616 673 1HE2 GLN 92 1HE2 GLN 92 -17.289 1.619 -17.674 674 2HE2 GLN 92 2HE2 GLN 92 -16.846 0.194 -16.864 675 H ILE 93 H ILE 93 -15.075 6.323 -14.979 676 HA ILE 93 HA ILE 93 -14.474 6.926 -12.185 677 HB ILE 93 HB ILE 93 -12.953 7.732 -14.685 678 1HG1 ILE 93 2HG1 ILE 93 -12.928 5.220 -13.000 679 2HG1 ILE 93 1HG1 ILE 93 -13.106 5.356 -14.750 680 1HG2 ILE 93 1HG2 ILE 93 -11.120 8.139 -13.248 681 2HG2 ILE 93 2HG2 ILE 93 -11.860 7.259 -11.912 682 3HG2 ILE 93 3HG2 ILE 93 -12.491 8.837 -12.387 683 1HD1 ILE 93 1HD1 ILE 93 -10.876 4.893 -14.774 684 2HD1 ILE 93 2HD1 ILE 93 -10.657 5.390 -13.097 685 3HD1 ILE 93 3HD1 ILE 93 -10.706 6.602 -14.376 686 H ALA 94 H ALA 94 -15.498 8.713 -15.050 687 HA ALA 94 HA ALA 94 -15.057 11.346 -13.995 688 1HB ALA 94 1HB ALA 94 -16.873 11.979 -15.688 689 2HB ALA 94 2HB ALA 94 -16.949 10.264 -16.096 690 3HB ALA 94 3HB ALA 94 -15.454 11.165 -16.346 691 H GLU 95 H GLU 95 -17.426 8.914 -13.358 692 HA GLU 95 HA GLU 95 -19.275 10.854 -12.091 693 1HB GLU 95 2HB GLU 95 -19.412 7.985 -12.907 694 2HB GLU 95 1HB GLU 95 -20.408 8.486 -11.540 695 1HG GLU 95 2HG GLU 95 -21.225 10.406 -13.008 696 2HG GLU 95 1HG GLU 95 -20.449 9.581 -14.359 697 H GLU 96 H GLU 96 -17.020 8.258 -11.267 698 HA GLU 96 HA GLU 96 -17.652 7.994 -8.511 699 1HB GLU 96 2HB GLU 96 -15.878 6.777 -10.134 700 2HB GLU 96 1HB GLU 96 -14.783 7.882 -9.303 701 1HG GLU 96 2HG GLU 96 -14.784 5.959 -7.932 702 2HG GLU 96 1HG GLU 96 -15.918 7.047 -7.129 703 H LEU 97 H LEU 97 -15.642 10.349 -10.223 704 HA LEU 97 HA LEU 97 -15.138 11.728 -7.626 705 1HB LEU 97 2HB LEU 97 -13.748 11.796 -10.304 706 2HB LEU 97 1HB LEU 97 -13.488 13.064 -9.105 707 HG LEU 97 HG LEU 97 -13.291 10.248 -8.152 708 1HD1 LEU 97 1HD1 LEU 97 -11.141 11.596 -9.815 709 2HD1 LEU 97 2HD1 LEU 97 -12.069 10.175 -10.294 710 3HD1 LEU 97 3HD1 LEU 97 -10.954 10.080 -8.932 711 1HD2 LEU 97 1HD2 LEU 97 -11.481 12.628 -7.678 712 2HD2 LEU 97 2HD2 LEU 97 -11.681 11.201 -6.662 713 3HD2 LEU 97 3HD2 LEU 97 -12.979 12.388 -6.779 714 H GLU 98 H GLU 98 -17.241 11.800 -10.207 715 HA GLU 98 HA GLU 98 -18.621 13.472 -11.128 716 1HB GLU 98 2HB GLU 98 -18.259 14.571 -8.323 717 2HB GLU 98 1HB GLU 98 -19.551 15.012 -9.441 718 1HG GLU 98 2HG GLU 98 -19.723 12.272 -9.449 719 2HG GLU 98 1HG GLU 98 -19.247 12.596 -7.782 720 H LEU 99 H LEU 99 -16.075 13.902 -11.991 721 HA LEU 99 HA LEU 99 -15.253 16.647 -11.328 722 1HB LEU 99 2HB LEU 99 -13.448 16.231 -12.984 723 2HB LEU 99 1HB LEU 99 -13.524 14.959 -11.763 724 HG LEU 99 HG LEU 99 -15.219 13.915 -13.582 725 1HD1 LEU 99 1HD1 LEU 99 -13.153 14.925 -15.457 726 2HD1 LEU 99 2HD1 LEU 99 -14.382 16.091 -14.968 727 3HD1 LEU 99 3HD1 LEU 99 -14.859 14.579 -15.742 728 1HD2 LEU 99 1HD2 LEU 99 -13.099 12.747 -14.513 729 2HD2 LEU 99 2HD2 LEU 99 -13.414 12.610 -12.784 730 3HD2 LEU 99 3HD2 LEU 99 -12.212 13.758 -13.373 731 HA PRO 100 HA PRO 100 -17.624 18.566 -14.530 732 1HB PRO 100 2HB PRO 100 -16.046 20.764 -15.006 733 2HB PRO 100 1HB PRO 100 -17.108 20.600 -13.595 734 1HG PRO 100 2HG PRO 100 -14.169 20.206 -13.808 735 2HG PRO 100 1HG PRO 100 -15.125 20.911 -12.493 736 1HD PRO 100 2HD PRO 100 -14.129 18.359 -12.411 737 2HD PRO 100 1HD PRO 100 -15.609 18.853 -11.560 738 HA PRO 101 HA PRO 101 -15.876 17.294 -18.391 739 1HB PRO 101 2HB PRO 101 -17.327 18.867 -20.106 740 2HB PRO 101 1HB PRO 101 -17.984 17.434 -19.293 741 1HG PRO 101 2HG PRO 101 -18.314 20.311 -18.618 742 2HG PRO 101 1HG PRO 101 -19.487 18.987 -18.530 743 1HD PRO 101 2HD PRO 101 -18.186 19.970 -16.330 744 2HD PRO 101 1HD PRO 101 -18.750 18.289 -16.453 745 H VAL 102 H VAL 102 -14.783 19.861 -16.947 746 HA VAL 102 HA VAL 102 -14.039 21.933 -18.549 747 HB VAL 102 HB VAL 102 -12.986 21.917 -16.455 748 1HG1 VAL 102 1HG1 VAL 102 -12.115 19.114 -17.190 749 2HG1 VAL 102 2HG1 VAL 102 -13.194 19.602 -15.883 750 3HG1 VAL 102 3HG1 VAL 102 -11.471 19.975 -15.792 751 1HG2 VAL 102 1HG2 VAL 102 -10.629 20.928 -18.031 752 2HG2 VAL 102 2HG2 VAL 102 -10.742 22.313 -16.944 753 3HG2 VAL 102 3HG2 VAL 102 -11.453 22.396 -18.556 754 H LYS 103 H LYS 103 -13.117 18.588 -19.013 755 HA LYS 103 HA LYS 103 -12.408 19.025 -21.762 756 1HB LYS 103 2HB LYS 103 -10.389 19.948 -20.379 757 2HB LYS 103 1HB LYS 103 -10.021 18.244 -20.103 758 1HG LYS 103 2HG LYS 103 -8.901 18.403 -22.078 759 2HG LYS 103 1HG LYS 103 -10.505 18.243 -22.792 760 1HD LYS 103 2HD LYS 103 -10.618 20.841 -22.482 761 2HD LYS 103 1HD LYS 103 -8.861 20.728 -22.381 762 1HE LYS 103 2HE LYS 103 -9.122 19.259 -24.552 763 2HE LYS 103 1HE LYS 103 -10.668 20.095 -24.693 764 1HZ LYS 103 1HZ LYS 103 -9.540 22.197 -24.629 765 2HZ LYS 103 2HZ LYS 103 -8.850 21.241 -25.852 766 3HZ LYS 103 3HZ LYS 103 -8.043 21.444 -24.370 767 H VAL 104 H VAL 104 -12.266 17.012 -18.883 768 HA VAL 104 HA VAL 104 -12.724 14.722 -18.640 769 HB VAL 104 HB VAL 104 -13.209 14.439 -21.583 770 1HG1 VAL 104 1HG1 VAL 104 -14.457 12.652 -20.929 771 2HG1 VAL 104 2HG1 VAL 104 -15.156 13.522 -19.563 772 3HG1 VAL 104 3HG1 VAL 104 -13.554 12.798 -19.420 773 1HG2 VAL 104 1HG2 VAL 104 -15.652 15.247 -20.574 774 2HG2 VAL 104 2HG2 VAL 104 -14.584 16.240 -21.566 775 3HG2 VAL 104 3HG2 VAL 104 -14.527 16.368 -19.810 776 H HIS 105 H HIS 105 -10.228 16.049 -20.280 777 HA HIS 105 HA HIS 105 -9.033 13.810 -21.617 778 1HB HIS 105 2HB HIS 105 -7.039 15.117 -21.688 779 2HB HIS 105 1HB HIS 105 -8.362 16.279 -21.786 780 HD2 HIS 105 HD2 HIS 105 -5.548 15.212 -19.266 781 HE1 HIS 105 HE1 HIS 105 -7.590 18.522 -17.617 782 HE2 HIS 105 HE2 HIS 105 -5.591 16.983 -17.351 783 H CYS 106 H CYS 106 -8.925 14.950 -18.265 784 HA CYS 106 HA CYS 106 -6.846 13.265 -17.320 785 1HB CYS 106 2HB CYS 106 -7.612 14.943 -15.828 786 2HB CYS 106 1HB CYS 106 -9.293 14.434 -15.991 787 HG CYS 106 HG CYS 106 -8.466 12.137 -14.758 788 H SER 107 H SER 107 -10.383 12.688 -17.172 789 HA SER 107 HA SER 107 -10.262 10.038 -16.213 790 1HB SER 107 2HB SER 107 -12.291 11.699 -16.865 791 2HB SER 107 1HB SER 107 -12.331 10.631 -18.265 792 HG SER 107 HG SER 107 -12.661 10.029 -15.530 793 H ILE 108 H ILE 108 -10.198 11.213 -19.584 794 HA ILE 108 HA ILE 108 -10.174 8.693 -20.872 795 HB ILE 108 HB ILE 108 -9.099 11.408 -21.571 796 1HG1 ILE 108 2HG1 ILE 108 -11.005 9.558 -23.030 797 2HG1 ILE 108 1HG1 ILE 108 -11.531 10.713 -21.806 798 1HG2 ILE 108 1HG2 ILE 108 -7.404 10.237 -22.641 799 2HG2 ILE 108 2HG2 ILE 108 -8.652 10.194 -23.885 800 3HG2 ILE 108 3HG2 ILE 108 -8.394 8.792 -22.849 801 1HD1 ILE 108 1HD1 ILE 108 -10.953 11.191 -24.579 802 2HD1 ILE 108 2HD1 ILE 108 -9.827 12.122 -23.591 803 3HD1 ILE 108 3HD1 ILE 108 -11.565 12.324 -23.374 804 H LEU 109 H LEU 109 -7.486 10.590 -19.512 805 HA LEU 109 HA LEU 109 -5.390 8.848 -20.380 806 1HB LEU 109 2HB LEU 109 -5.700 11.025 -18.398 807 2HB LEU 109 1HB LEU 109 -4.415 9.869 -18.046 808 HG LEU 109 HG LEU 109 -3.647 10.181 -20.456 809 1HD1 LEU 109 1HD1 LEU 109 -4.527 11.887 -21.774 810 2HD1 LEU 109 2HD1 LEU 109 -5.156 12.774 -20.385 811 3HD1 LEU 109 3HD1 LEU 109 -5.977 11.318 -20.948 812 1HD2 LEU 109 1HD2 LEU 109 -2.246 11.933 -19.826 813 2HD2 LEU 109 2HD2 LEU 109 -2.831 11.398 -18.250 814 3HD2 LEU 109 3HD2 LEU 109 -3.544 12.815 -19.020 815 H ALA 110 H ALA 110 -7.574 8.746 -17.616 816 HA ALA 110 HA ALA 110 -6.157 6.748 -16.120 817 1HB ALA 110 1HB ALA 110 -8.587 6.287 -15.245 818 2HB ALA 110 2HB ALA 110 -9.003 7.718 -16.187 819 3HB ALA 110 3HB ALA 110 -7.821 7.834 -14.883 820 H GLU 111 H GLU 111 -9.154 6.326 -18.044 821 HA GLU 111 HA GLU 111 -9.027 3.491 -18.111 822 1HB GLU 111 2HB GLU 111 -11.077 4.594 -18.721 823 2HB GLU 111 1HB GLU 111 -10.281 5.472 -20.028 824 1HG GLU 111 2HG GLU 111 -10.122 2.489 -20.068 825 2HG GLU 111 1HG GLU 111 -11.663 3.234 -20.496 826 H ASP 112 H ASP 112 -7.918 5.858 -20.561 827 HA ASP 112 HA ASP 112 -6.917 4.029 -22.449 828 1HB ASP 112 2HB ASP 112 -7.038 6.571 -22.644 829 2HB ASP 112 1HB ASP 112 -5.528 6.618 -21.732 830 H ALA 113 H ALA 113 -5.588 4.972 -19.346 831 HA ALA 113 HA ALA 113 -2.954 3.829 -19.884 832 1HB ALA 113 1HB ALA 113 -4.289 5.232 -17.669 833 2HB ALA 113 2HB ALA 113 -2.604 5.290 -18.184 834 3HB ALA 113 3HB ALA 113 -3.163 3.981 -17.143 835 H ILE 114 H ILE 114 -5.452 2.921 -17.477 836 HA ILE 114 HA ILE 114 -4.480 0.431 -16.757 837 HB ILE 114 HB ILE 114 -6.752 1.753 -16.191 838 1HG1 ILE 114 2HG1 ILE 114 -7.526 -0.569 -15.234 839 2HG1 ILE 114 1HG1 ILE 114 -5.976 -1.131 -15.860 840 1HG2 ILE 114 1HG2 ILE 114 -8.694 0.613 -17.051 841 2HG2 ILE 114 2HG2 ILE 114 -7.693 -0.586 -17.870 842 3HG2 ILE 114 3HG2 ILE 114 -7.709 1.084 -18.435 843 1HD1 ILE 114 1HD1 ILE 114 -6.334 1.218 -13.976 844 2HD1 ILE 114 2HD1 ILE 114 -4.798 0.575 -14.556 845 3HD1 ILE 114 3HD1 ILE 114 -5.813 -0.395 -13.490 846 H LYS 115 H LYS 115 -6.378 1.186 -19.678 847 HA LYS 115 HA LYS 115 -6.454 -1.576 -20.565 848 1HB LYS 115 2HB LYS 115 -7.482 0.974 -21.464 849 2HB LYS 115 1HB LYS 115 -6.732 0.117 -22.811 850 1HG LYS 115 2HG LYS 115 -8.682 -1.219 -20.922 851 2HG LYS 115 1HG LYS 115 -9.199 -0.408 -22.400 852 1HD LYS 115 2HD LYS 115 -7.342 -1.891 -23.528 853 2HD LYS 115 1HD LYS 115 -7.537 -2.890 -22.088 854 1HE LYS 115 2HE LYS 115 -10.153 -2.358 -22.840 855 2HE LYS 115 1HE LYS 115 -9.327 -2.572 -24.383 856 1HZ LYS 115 1HZ LYS 115 -8.873 -4.724 -23.954 857 2HZ LYS 115 2HZ LYS 115 -10.241 -4.596 -22.956 858 3HZ LYS 115 3HZ LYS 115 -8.684 -4.484 -22.286 859 H ALA 116 H ALA 116 -4.342 1.201 -21.188 860 HA ALA 116 HA ALA 116 -2.828 0.054 -23.315 861 1HB ALA 116 1HB ALA 116 -1.120 1.698 -22.759 862 2HB ALA 116 2HB ALA 116 -1.819 1.933 -21.157 863 3HB ALA 116 3HB ALA 116 -2.705 2.452 -22.592 864 H ALA 117 H ALA 117 -2.550 -0.239 -19.796 865 HA ALA 117 HA ALA 117 -0.052 -1.678 -19.828 866 1HB ALA 117 1HB ALA 117 -0.418 -0.967 -17.686 867 2HB ALA 117 2HB ALA 117 -1.233 -2.524 -17.533 868 3HB ALA 117 3HB ALA 117 -2.173 -1.065 -17.848 869 H ILE 118 H ILE 118 -3.376 -2.885 -19.202 870 HA ILE 118 HA ILE 118 -2.974 -5.594 -19.168 871 HB ILE 118 HB ILE 118 -5.124 -4.010 -20.583 872 1HG1 ILE 118 2HG1 ILE 118 -5.237 -5.784 -18.128 873 2HG1 ILE 118 1HG1 ILE 118 -4.911 -4.052 -18.051 874 1HG2 ILE 118 1HG2 ILE 118 -5.242 -5.999 -21.811 875 2HG2 ILE 118 2HG2 ILE 118 -6.326 -6.337 -20.462 876 3HG2 ILE 118 3HG2 ILE 118 -4.685 -6.982 -20.458 877 1HD1 ILE 118 1HD1 ILE 118 -7.381 -5.317 -19.274 878 2HD1 ILE 118 2HD1 ILE 118 -7.054 -3.588 -19.169 879 3HD1 ILE 118 3HD1 ILE 118 -7.313 -4.526 -17.700 880 H ALA 119 H ALA 119 -3.206 -3.649 -22.163 881 HA ALA 119 HA ALA 119 -2.743 -5.777 -23.985 882 1HB ALA 119 1HB ALA 119 -1.456 -3.378 -24.918 883 2HB ALA 119 2HB ALA 119 -2.965 -2.949 -24.114 884 3HB ALA 119 3HB ALA 119 -2.977 -4.090 -25.457 885 H ASP 120 H ASP 120 -0.411 -3.540 -22.448 886 HA ASP 120 HA ASP 120 1.950 -4.539 -23.609 887 1HB ASP 120 2HB ASP 120 1.245 -3.044 -21.182 888 2HB ASP 120 1HB ASP 120 2.701 -4.023 -20.996 889 H TYR 121 H TYR 121 0.814 -5.465 -20.335 890 HA TYR 121 HA TYR 121 2.451 -7.685 -19.953 891 1HB TYR 121 2HB TYR 121 1.105 -7.168 -18.109 892 2HB TYR 121 1HB TYR 121 -0.361 -7.071 -19.084 893 HD1 TYR 121 HD1 TYR 121 -1.271 -9.222 -20.127 894 HD2 TYR 121 HD2 TYR 121 1.720 -9.192 -17.046 895 HE1 TYR 121 HE1 TYR 121 -1.774 -11.596 -19.616 896 HE2 TYR 121 HE2 TYR 121 1.217 -11.566 -16.534 897 HH TYR 121 HH TYR 121 -1.505 -13.112 -17.473 898 H LYS 122 H LYS 122 -0.568 -7.498 -21.805 899 HA LYS 122 HA LYS 122 -0.862 -10.268 -22.372 900 1HB LYS 122 2HB LYS 122 -2.329 -8.088 -22.959 901 2HB LYS 122 1HB LYS 122 -1.530 -8.308 -24.515 902 1HG LYS 122 2HG LYS 122 -2.270 -10.698 -24.507 903 2HG LYS 122 1HG LYS 122 -3.170 -10.375 -23.024 904 1HD LYS 122 2HD LYS 122 -4.841 -10.008 -24.584 905 2HD LYS 122 1HD LYS 122 -4.167 -8.382 -24.473 906 1HE LYS 122 2HE LYS 122 -2.537 -9.537 -26.361 907 2HE LYS 122 1HE LYS 122 -4.091 -10.294 -26.711 908 1HZ LYS 122 1HZ LYS 122 -3.463 -7.986 -27.727 909 2HZ LYS 122 2HZ LYS 122 -4.019 -7.404 -26.231 910 3HZ LYS 122 3HZ LYS 122 -5.052 -8.310 -27.231 911 H ALA 123 H ALA 123 0.766 -7.719 -24.288 912 HA ALA 123 HA ALA 123 1.749 -9.465 -26.319 913 1HB ALA 123 1HB ALA 123 3.606 -7.317 -25.814 914 2HB ALA 123 2HB ALA 123 1.955 -6.713 -25.676 915 3HB ALA 123 3HB ALA 123 2.482 -7.509 -27.159 916 H LYS 124 H LYS 124 2.506 -9.395 -23.052 917 HA LYS 124 HA LYS 124 5.303 -10.303 -23.468 918 1HB LYS 124 2HB LYS 124 3.916 -8.919 -21.372 919 2HB LYS 124 1HB LYS 124 4.553 -10.429 -20.720 920 1HG LYS 124 2HG LYS 124 6.786 -9.892 -21.495 921 2HG LYS 124 1HG LYS 124 6.192 -8.463 -22.343 922 1HD LYS 124 2HD LYS 124 5.385 -8.439 -19.548 923 2HD LYS 124 1HD LYS 124 7.137 -8.560 -19.707 924 1HE LYS 124 2HE LYS 124 5.354 -6.471 -20.993 925 2HE LYS 124 1HE LYS 124 6.501 -6.205 -19.680 926 1HZ LYS 124 1HZ LYS 124 7.720 -5.587 -21.506 927 2HZ LYS 124 2HZ LYS 124 7.023 -6.759 -22.519 928 3HZ LYS 124 3HZ LYS 124 8.175 -7.214 -21.357 929 H GLN 125 H GLN 125 3.249 -12.011 -24.447 930 HA GLN 125 HA GLN 125 3.402 -14.269 -22.487 931 1HB GLN 125 2HB GLN 125 1.087 -13.584 -22.863 932 2HB GLN 125 1HB GLN 125 1.310 -13.698 -24.609 933 1HG GLN 125 2HG GLN 125 1.843 -16.126 -24.339 934 2HG GLN 125 1HG GLN 125 1.474 -15.981 -22.620 935 1HE2 GLN 125 1HE2 GLN 125 -0.619 -13.830 -23.914 936 2HE2 GLN 125 2HE2 GLN 125 -1.953 -14.836 -24.213 937 H GLY 126 H GLY 126 2.650 -14.115 -25.973 938 1HA GLY 126 2HA GLY 126 5.150 -15.189 -26.860 939 2HA GLY 126 1HA GLY 126 4.002 -16.509 -26.635 940 H LEU 127 H LEU 127 1.632 -15.452 -27.474 941 HA LEU 127 HA LEU 127 1.617 -15.718 -30.236 942 1HB LEU 127 2HB LEU 127 -0.311 -15.228 -28.402 943 2HB LEU 127 1HB LEU 127 -0.232 -13.646 -29.179 944 HG LEU 127 HG LEU 127 -0.465 -14.773 -31.397 945 1HD1 LEU 127 1HD1 LEU 127 -1.540 -17.219 -30.907 946 2HD1 LEU 127 2HD1 LEU 127 -0.336 -17.145 -29.620 947 3HD1 LEU 127 3HD1 LEU 127 0.160 -16.970 -31.304 948 1HD2 LEU 127 1HD2 LEU 127 -2.441 -13.863 -30.226 949 2HD2 LEU 127 2HD2 LEU 127 -2.648 -15.397 -29.381 950 3HD2 LEU 127 3HD2 LEU 127 -2.864 -15.317 -31.130 951 H GLU 128 H GLU 128 3.029 -13.182 -28.473 952 HA GLU 128 HA GLU 128 2.663 -10.941 -30.166 953 1HB GLU 128 2HB GLU 128 4.125 -11.438 -27.898 954 2HB GLU 128 1HB GLU 128 5.398 -11.278 -29.108 955 1HG GLU 128 2HG GLU 128 3.170 -9.274 -28.635 956 2HG GLU 128 1HG GLU 128 4.840 -9.088 -28.098 957 H HIS 129 H HIS 129 5.332 -13.332 -30.235 958 HA HIS 129 HA HIS 129 6.730 -13.982 -32.001 959 1HB HIS 129 2HB HIS 129 4.656 -14.753 -33.020 960 2HB HIS 129 1HB HIS 129 4.289 -13.121 -33.582 961 HD2 HIS 129 HD2 HIS 129 4.505 -14.682 -36.194 962 HE1 HIS 129 HE1 HIS 129 8.697 -14.170 -36.232 963 HE2 HIS 129 HE2 HIS 129 6.679 -14.810 -37.629 964 H HIS 130 H HIS 130 8.233 -12.234 -31.581 965 HA HIS 130 HA HIS 130 7.920 -9.645 -32.848 966 1HB HIS 130 2HB HIS 130 9.911 -11.006 -31.173 967 2HB HIS 130 1HB HIS 130 10.634 -9.953 -32.390 968 HD2 HIS 130 HD2 HIS 130 11.230 -8.005 -30.345 969 HE1 HIS 130 HE1 HIS 130 7.194 -6.980 -29.634 970 HE2 HIS 130 HE2 HIS 130 9.604 -6.326 -29.186 971 H HIS 131 H HIS 131 9.194 -8.867 -34.677 972 HA HIS 131 HA HIS 131 10.862 -10.586 -36.250 973 1HB HIS 131 2HB HIS 131 8.710 -11.758 -36.645 974 2HB HIS 131 1HB HIS 131 8.023 -10.258 -37.267 975 HD2 HIS 131 HD2 HIS 131 10.679 -12.964 -38.361 976 HE1 HIS 131 HE1 HIS 131 9.928 -10.424 -41.652 977 HE2 HIS 131 HE2 HIS 131 11.110 -12.539 -40.898 978 H HIS 132 H HIS 132 11.933 -8.450 -36.065 979 HA HIS 132 HA HIS 132 10.871 -6.042 -37.128 980 1HB HIS 132 2HB HIS 132 13.048 -6.367 -35.809 981 2HB HIS 132 1HB HIS 132 13.778 -6.847 -37.342 982 HD2 HIS 132 HD2 HIS 132 15.286 -4.436 -37.569 983 HE1 HIS 132 HE1 HIS 132 11.945 -1.868 -37.863 984 HE2 HIS 132 HE2 HIS 132 14.468 -2.014 -38.086 985 H HIS 133 H HIS 133 12.200 -5.076 -39.207 986 HA HIS 133 HA HIS 133 11.961 -7.123 -41.374 987 1HB HIS 133 2HB HIS 133 10.658 -4.449 -41.109 988 2HB HIS 133 1HB HIS 133 11.208 -4.933 -42.714 989 HD2 HIS 133 HD2 HIS 133 10.306 -7.956 -43.005 990 HE1 HIS 133 HE1 HIS 133 6.572 -6.858 -41.368 991 HE2 HIS 133 HE2 HIS 133 7.812 -8.643 -42.676 992 H HIS 134 HN HIS 134 13.235 -6.569 -43.315 993 HA HIS 134 HA HIS 134 15.374 -4.553 -42.847 994 1HB HIS 134 2HB HIS 134 16.820 -6.537 -44.005 995 2HB HIS 134 1HB HIS 134 16.719 -6.308 -42.258 996 HD2 HIS 134 HD2 HIS 134 14.786 -8.491 -44.980 997 HE1 HIS 134 HE1 HIS 134 14.573 -10.426 -41.232 998 HE2 HIS 134 HE2 HIS 134 13.978 -10.610 -43.691 Start of MODEL 14 1 1H MET 1 1H MET 1 32.931 2.981 21.942 2 2H MET 1 2H MET 1 33.089 2.525 20.314 3 3H MET 1 3H MET 1 31.547 2.716 21.000 4 HA MET 1 HA MET 1 31.961 4.625 19.672 5 1HB MET 1 2HB MET 1 31.039 4.806 22.113 6 2HB MET 1 1HB MET 1 32.599 5.553 22.463 7 1HG MET 1 2HG MET 1 32.094 7.033 20.379 8 2HG MET 1 1HG MET 1 30.425 6.511 20.613 9 1HE MET 1 1HE MET 1 29.352 8.743 21.131 10 2HE MET 1 2HE MET 1 29.086 8.972 22.858 11 3HE MET 1 3HE MET 1 28.856 7.378 22.142 12 H ALA 2 H ALA 2 34.709 3.389 21.290 13 HA ALA 2 HA ALA 2 36.463 5.663 20.960 14 1HB ALA 2 1HB ALA 2 38.133 4.282 21.771 15 2HB ALA 2 2HB ALA 2 37.536 2.871 20.896 16 3HB ALA 2 3HB ALA 2 36.719 3.411 22.363 17 H TYR 3 H TYR 3 38.454 5.443 19.460 18 HA TYR 3 HA TYR 3 37.724 5.617 16.780 19 1HB TYR 3 2HB TYR 3 40.387 4.417 17.496 20 2HB TYR 3 1HB TYR 3 40.008 5.621 16.265 21 HD1 TYR 3 HD1 TYR 3 41.853 5.396 19.035 22 HD2 TYR 3 HD2 TYR 3 38.441 7.618 17.665 23 HE1 TYR 3 HE1 TYR 3 42.387 7.207 20.643 24 HE2 TYR 3 HE2 TYR 3 38.977 9.430 19.273 25 HH TYR 3 HH TYR 3 41.931 9.692 20.829 26 H SER 4 H SER 4 36.173 3.846 16.470 27 HA SER 4 HA SER 4 37.409 1.527 15.239 28 1HB SER 4 2HB SER 4 37.478 0.963 17.709 29 2HB SER 4 1HB SER 4 35.716 1.003 17.697 30 HG SER 4 HG SER 4 36.679 -0.457 15.639 31 H GLU 5 H GLU 5 35.120 3.763 15.257 32 HA GLU 5 HA GLU 5 33.010 1.950 14.159 33 1HB GLU 5 2HB GLU 5 31.678 4.262 14.427 34 2HB GLU 5 1HB GLU 5 31.832 3.117 15.758 35 1HG GLU 5 2HG GLU 5 32.411 5.319 16.587 36 2HG GLU 5 1HG GLU 5 33.888 4.361 16.501 37 H LYS 6 H LYS 6 33.136 1.887 11.974 38 HA LYS 6 HA LYS 6 34.533 3.757 10.353 39 1HB LYS 6 2HB LYS 6 33.250 1.331 9.941 40 2HB LYS 6 1HB LYS 6 32.283 2.464 8.995 41 1HG LYS 6 2HG LYS 6 34.634 3.343 8.191 42 2HG LYS 6 1HG LYS 6 35.182 1.745 8.702 43 1HD LYS 6 2HD LYS 6 32.853 2.205 6.819 44 2HD LYS 6 1HD LYS 6 34.495 1.849 6.283 45 1HE LYS 6 2HE LYS 6 34.461 -0.281 7.481 46 2HE LYS 6 1HE LYS 6 32.860 0.080 8.125 47 1HZ LYS 6 1HZ LYS 6 33.610 -0.399 5.299 48 2HZ LYS 6 2HZ LYS 6 32.110 0.253 5.758 49 3HZ LYS 6 3HZ LYS 6 32.551 -1.309 6.262 50 H VAL 7 H VAL 7 33.506 5.204 8.683 51 HA VAL 7 HA VAL 7 31.246 6.686 9.934 52 HB VAL 7 HB VAL 7 32.066 8.303 7.922 53 1HG1 VAL 7 1HG1 VAL 7 33.609 9.327 9.685 54 2HG1 VAL 7 2HG1 VAL 7 33.188 7.956 10.710 55 3HG1 VAL 7 3HG1 VAL 7 31.934 9.076 10.178 56 1HG2 VAL 7 1HG2 VAL 7 34.458 8.162 7.640 57 2HG2 VAL 7 2HG2 VAL 7 33.800 6.562 7.294 58 3HG2 VAL 7 3HG2 VAL 7 34.578 6.879 8.844 59 H ILE 8 H ILE 8 32.026 4.673 7.243 60 HA ILE 8 HA ILE 8 29.669 5.611 5.703 61 HB ILE 8 HB ILE 8 31.745 3.494 5.054 62 1HG1 ILE 8 2HG1 ILE 8 31.390 6.234 3.816 63 2HG1 ILE 8 1HG1 ILE 8 32.473 5.950 5.180 64 1HG2 ILE 8 1HG2 ILE 8 29.912 2.884 3.750 65 2HG2 ILE 8 2HG2 ILE 8 30.710 4.045 2.687 66 3HG2 ILE 8 3HG2 ILE 8 29.310 4.539 3.641 67 1HD1 ILE 8 1HD1 ILE 8 33.940 5.633 3.409 68 2HD1 ILE 8 2HD1 ILE 8 32.688 4.974 2.356 69 3HD1 ILE 8 3HD1 ILE 8 33.365 3.984 3.649 70 H ASP 9 H ASP 9 28.085 4.840 7.271 71 HA ASP 9 HA ASP 9 27.496 1.961 6.888 72 1HB ASP 9 2HB ASP 9 27.275 3.137 9.651 73 2HB ASP 9 1HB ASP 9 27.349 1.440 9.174 74 H HIS 10 H HIS 10 25.992 3.445 5.487 75 HA HIS 10 HA HIS 10 23.848 4.805 6.921 76 1HB HIS 10 2HB HIS 10 23.607 3.917 4.062 77 2HB HIS 10 1HB HIS 10 23.042 5.408 4.817 78 HD2 HIS 10 HD2 HIS 10 26.008 6.291 6.133 79 HE1 HIS 10 HE1 HIS 10 27.287 6.251 2.108 80 HE2 HIS 10 HE2 HIS 10 27.840 7.068 4.445 81 H TYR 11 H TYR 11 22.303 3.673 7.987 82 HA TYR 11 HA TYR 11 21.636 0.931 7.043 83 1HB TYR 11 2HB TYR 11 20.219 1.218 9.340 84 2HB TYR 11 1HB TYR 11 21.892 0.659 9.302 85 HD1 TYR 11 HD1 TYR 11 23.243 1.664 10.904 86 HD2 TYR 11 HD2 TYR 11 20.161 3.983 9.014 87 HE1 TYR 11 HE1 TYR 11 23.939 3.654 12.210 88 HE2 TYR 11 HE2 TYR 11 20.857 5.973 10.321 89 HH TYR 11 HH TYR 11 23.357 5.746 12.822 90 H GLU 12 H GLU 12 20.701 3.494 5.768 91 HA GLU 12 HA GLU 12 17.765 3.194 6.237 92 1HB GLU 12 2HB GLU 12 18.586 5.477 6.575 93 2HB GLU 12 1HB GLU 12 19.334 5.466 4.978 94 1HG GLU 12 2HG GLU 12 17.398 6.168 4.076 95 2HG GLU 12 1HG GLU 12 16.609 4.696 4.645 96 H ASN 13 H ASN 13 18.150 1.160 4.850 97 HA ASN 13 HA ASN 13 17.785 1.920 1.987 98 1HB ASN 13 2HB ASN 13 20.116 0.965 2.560 99 2HB ASN 13 1HB ASN 13 19.283 -0.568 2.817 100 1HD2 ASN 13 1HD2 ASN 13 21.206 -0.088 0.667 101 2HD2 ASN 13 2HD2 ASN 13 20.365 -0.248 -0.800 102 HA PRO 14 HA PRO 14 14.525 -0.970 3.837 103 1HB PRO 14 2HB PRO 14 12.393 0.647 3.150 104 2HB PRO 14 1HB PRO 14 13.200 0.669 4.729 105 1HG PRO 14 2HG PRO 14 13.507 2.512 2.421 106 2HG PRO 14 1HG PRO 14 13.535 2.858 4.158 107 1HD PRO 14 2HD PRO 14 15.805 2.725 2.647 108 2HD PRO 14 1HD PRO 14 15.771 2.299 4.372 109 H ARG 15 H ARG 15 12.063 -0.780 2.290 110 HA ARG 15 HA ARG 15 11.164 -1.546 0.263 111 1HB ARG 15 2HB ARG 15 13.397 0.159 -0.470 112 2HB ARG 15 1HB ARG 15 13.237 -1.174 -1.611 113 1HG ARG 15 2HG ARG 15 11.813 0.497 -2.486 114 2HG ARG 15 1HG ARG 15 10.715 -0.595 -1.644 115 1HD ARG 15 2HD ARG 15 11.902 1.724 -0.151 116 2HD ARG 15 1HD ARG 15 10.547 2.005 -1.242 117 HE ARG 15 HE ARG 15 9.717 -0.138 0.307 118 1HH1 ARG 15 1HH2 ARG 15 10.970 3.025 0.867 119 2HH1 ARG 15 2HH2 ARG 15 10.111 3.248 2.354 120 1HH2 ARG 15 2HH1 ARG 15 8.583 0.136 2.245 121 2HH2 ARG 15 1HH1 ARG 15 8.758 1.613 3.134 122 H ASN 16 H ASN 16 12.218 -2.972 -1.822 123 HA ASN 16 HA ASN 16 14.138 -4.947 -0.794 124 1HB ASN 16 2HB ASN 16 11.203 -5.508 -1.109 125 2HB ASN 16 1HB ASN 16 12.373 -6.791 -1.426 126 1HD2 ASN 16 1HD2 ASN 16 13.586 -7.642 0.383 127 2HD2 ASN 16 2HD2 ASN 16 13.217 -7.233 1.989 128 H VAL 17 H VAL 17 11.922 -6.164 -3.099 129 HA VAL 17 HA VAL 17 13.949 -5.710 -5.234 130 HB VAL 17 HB VAL 17 12.341 -7.468 -6.396 131 1HG1 VAL 17 1HG1 VAL 17 14.705 -7.843 -5.753 132 2HG1 VAL 17 2HG1 VAL 17 13.713 -9.265 -5.431 133 3HG1 VAL 17 3HG1 VAL 17 14.190 -8.204 -4.106 134 1HG2 VAL 17 1HG2 VAL 17 10.928 -8.657 -5.027 135 2HG2 VAL 17 2HG2 VAL 17 10.891 -7.128 -4.147 136 3HG2 VAL 17 3HG2 VAL 17 11.948 -8.432 -3.605 137 H GLY 18 H GLY 18 13.286 -3.536 -5.756 138 1HA GLY 18 2HA GLY 18 10.684 -2.622 -6.250 139 2HA GLY 18 1HA GLY 18 12.100 -2.026 -7.117 140 H SER 19 H SER 19 9.925 -2.075 -8.650 141 HA SER 19 HA SER 19 8.976 -4.350 -9.893 142 1HB SER 19 2HB SER 19 8.098 -2.407 -10.817 143 2HB SER 19 1HB SER 19 9.673 -1.627 -10.935 144 HG SER 19 HG SER 19 10.164 -3.171 -12.598 145 H LEU 20 H LEU 20 9.714 -5.726 -11.581 146 HA LEU 20 HA LEU 20 12.662 -5.947 -11.724 147 1HB LEU 20 2HB LEU 20 10.912 -7.861 -13.183 148 2HB LEU 20 1HB LEU 20 12.338 -8.172 -12.191 149 HG LEU 20 HG LEU 20 9.591 -7.414 -11.150 150 1HD1 LEU 20 1HD1 LEU 20 9.258 -9.642 -10.636 151 2HD1 LEU 20 2HD1 LEU 20 10.983 -9.980 -10.507 152 3HD1 LEU 20 3HD1 LEU 20 10.231 -9.828 -12.095 153 1HD2 LEU 20 1HD2 LEU 20 12.076 -8.242 -9.620 154 2HD2 LEU 20 2HD2 LEU 20 10.543 -7.690 -8.944 155 3HD2 LEU 20 3HD2 LEU 20 11.572 -6.564 -9.830 156 H ASP 21 H ASP 21 11.931 -3.706 -13.067 157 HA ASP 21 HA ASP 21 11.996 -2.663 -15.172 158 1HB ASP 21 2HB ASP 21 13.662 -5.130 -15.436 159 2HB ASP 21 1HB ASP 21 13.250 -4.259 -16.914 160 H LYS 22 H LYS 22 11.063 -2.779 -17.378 161 HA LYS 22 HA LYS 22 8.556 -4.186 -17.401 162 1HB LYS 22 2HB LYS 22 9.128 -3.504 -20.056 163 2HB LYS 22 1HB LYS 22 8.219 -2.532 -18.899 164 1HG LYS 22 2HG LYS 22 10.300 -1.461 -18.142 165 2HG LYS 22 1HG LYS 22 11.228 -2.447 -19.273 166 1HD LYS 22 2HD LYS 22 9.869 -1.464 -21.144 167 2HD LYS 22 1HD LYS 22 9.127 -0.377 -19.970 168 1HE LYS 22 2HE LYS 22 10.853 1.019 -20.416 169 2HE LYS 22 1HE LYS 22 11.828 -0.087 -19.447 170 1HZ LYS 22 1HZ LYS 22 11.961 -1.381 -21.688 171 2HZ LYS 22 2HZ LYS 22 12.994 -0.065 -21.394 172 3HZ LYS 22 3HZ LYS 22 11.613 0.135 -22.364 173 H LYS 23 H LYS 23 11.324 -5.659 -17.383 174 HA LYS 23 HA LYS 23 10.927 -7.398 -19.756 175 1HB LYS 23 2HB LYS 23 13.110 -7.380 -17.645 176 2HB LYS 23 1HB LYS 23 13.085 -8.410 -19.077 177 1HG LYS 23 2HG LYS 23 12.650 -5.623 -19.782 178 2HG LYS 23 1HG LYS 23 14.164 -5.830 -18.903 179 1HD LYS 23 2HD LYS 23 14.657 -7.780 -20.477 180 2HD LYS 23 1HD LYS 23 13.298 -7.213 -21.449 181 1HE LYS 23 2HE LYS 23 15.767 -5.609 -20.720 182 2HE LYS 23 1HE LYS 23 15.377 -6.257 -22.313 183 1HZ LYS 23 1HZ LYS 23 13.585 -4.807 -22.546 184 2HZ LYS 23 2HZ LYS 23 14.804 -3.840 -21.863 185 3HZ LYS 23 3HZ LYS 23 13.539 -4.431 -20.893 186 H ASP 24 H ASP 24 9.158 -7.310 -17.278 187 HA ASP 24 HA ASP 24 9.609 -10.033 -16.188 188 1HB ASP 24 2HB ASP 24 8.858 -7.775 -14.915 189 2HB ASP 24 1HB ASP 24 7.266 -8.414 -15.328 190 H SER 25 H SER 25 7.579 -11.423 -15.985 191 HA SER 25 HA SER 25 6.121 -11.325 -18.581 192 1HB SER 25 2HB SER 25 6.806 -13.513 -16.638 193 2HB SER 25 1HB SER 25 5.436 -13.715 -17.727 194 HG SER 25 HG SER 25 6.776 -13.941 -19.336 195 H ASN 26 H ASN 26 5.640 -10.102 -15.633 196 HA ASN 26 HA ASN 26 2.697 -10.403 -15.865 197 1HB ASN 26 2HB ASN 26 4.156 -10.763 -13.233 198 2HB ASN 26 1HB ASN 26 2.423 -10.927 -13.518 199 1HD2 ASN 26 1HD2 ASN 26 4.668 -12.943 -12.692 200 2HD2 ASN 26 2HD2 ASN 26 4.416 -14.250 -13.744 201 H VAL 27 H VAL 27 5.063 -8.333 -16.020 202 HA VAL 27 HA VAL 27 3.712 -6.273 -14.318 203 HB VAL 27 HB VAL 27 6.599 -6.284 -15.249 204 1HG1 VAL 27 1HG1 VAL 27 5.095 -4.567 -13.250 205 2HG1 VAL 27 2HG1 VAL 27 5.651 -4.049 -14.842 206 3HG1 VAL 27 3HG1 VAL 27 6.823 -4.462 -13.590 207 1HG2 VAL 27 1HG2 VAL 27 5.609 -6.749 -12.432 208 2HG2 VAL 27 2HG2 VAL 27 7.219 -7.047 -13.089 209 3HG2 VAL 27 3HG2 VAL 27 5.872 -8.088 -13.549 210 H GLY 28 H GLY 28 2.273 -5.575 -15.946 211 1HA GLY 28 2HA GLY 28 3.259 -4.917 -18.620 212 2HA GLY 28 1HA GLY 28 1.625 -4.637 -18.021 213 H THR 29 H THR 29 3.316 -2.772 -19.506 214 HA THR 29 HA THR 29 3.457 -0.592 -17.462 215 HB THR 29 HB THR 29 5.242 -0.753 -19.899 216 HG1 THR 29 HG1 THR 29 5.626 -1.731 -17.274 217 1HG2 THR 29 1HG2 THR 29 6.272 1.108 -19.050 218 2HG2 THR 29 2HG2 THR 29 5.986 0.631 -17.376 219 3HG2 THR 29 3HG2 THR 29 4.686 1.358 -18.320 220 H GLY 30 H GLY 30 1.967 0.952 -17.946 221 1HA GLY 30 2HA GLY 30 1.149 1.240 -20.809 222 2HA GLY 30 1HA GLY 30 0.077 1.562 -19.445 223 H MET 31 H MET 31 2.318 2.946 -21.608 224 HA MET 31 HA MET 31 2.488 5.402 -19.909 225 1HB MET 31 2HB MET 31 4.657 4.293 -20.653 226 2HB MET 31 1HB MET 31 4.221 4.746 -22.302 227 1HG MET 31 2HG MET 31 4.053 7.121 -21.574 228 2HG MET 31 1HG MET 31 4.589 6.641 -19.964 229 1HE MET 31 1HE MET 31 7.294 8.648 -21.015 230 2HE MET 31 2HE MET 31 5.557 8.745 -21.294 231 3HE MET 31 3HE MET 31 6.657 8.614 -22.664 232 H VAL 32 H VAL 32 0.935 6.826 -20.521 233 HA VAL 32 HA VAL 32 0.554 7.279 -23.448 234 HB VAL 32 HB VAL 32 -1.921 7.791 -22.669 235 1HG1 VAL 32 1HG1 VAL 32 -0.877 4.956 -22.952 236 2HG1 VAL 32 2HG1 VAL 32 -1.207 6.049 -24.295 237 3HG1 VAL 32 3HG1 VAL 32 -2.528 5.491 -23.269 238 1HG2 VAL 32 1HG2 VAL 32 -0.916 7.068 -20.249 239 2HG2 VAL 32 2HG2 VAL 32 -1.506 5.507 -20.819 240 3HG2 VAL 32 3HG2 VAL 32 -2.613 6.874 -20.688 241 H GLY 33 H GLY 33 -0.124 9.466 -23.962 242 1HA GLY 33 2HA GLY 33 0.078 11.408 -21.710 243 2HA GLY 33 1HA GLY 33 1.096 11.628 -23.134 244 H ALA 34 H ALA 34 -0.218 13.748 -23.082 245 HA ALA 34 HA ALA 34 -2.475 13.427 -24.971 246 1HB ALA 34 1HB ALA 34 -3.102 13.687 -22.356 247 2HB ALA 34 2HB ALA 34 -4.092 14.370 -23.646 248 3HB ALA 34 3HB ALA 34 -2.937 15.389 -22.786 249 HA PRO 35 HA PRO 35 0.536 16.608 -26.410 250 1HB PRO 35 2HB PRO 35 -1.342 16.326 -28.718 251 2HB PRO 35 1HB PRO 35 0.432 16.374 -28.706 252 1HG PRO 35 2HG PRO 35 -0.904 14.091 -29.042 253 2HG PRO 35 1HG PRO 35 0.626 14.159 -28.150 254 1HD PRO 35 2HD PRO 35 -2.141 13.797 -27.110 255 2HD PRO 35 1HD PRO 35 -0.595 13.243 -26.428 256 H ALA 36 H ALA 36 -2.992 16.729 -27.045 257 HA ALA 36 HA ALA 36 -3.353 19.432 -27.511 258 1HB ALA 36 1HB ALA 36 -5.579 19.216 -26.545 259 2HB ALA 36 2HB ALA 36 -5.082 17.786 -25.641 260 3HB ALA 36 3HB ALA 36 -5.183 17.726 -27.401 261 H CYS 37 H CYS 37 -2.631 17.886 -24.418 262 HA CYS 37 HA CYS 37 -2.414 20.620 -23.218 263 1HB CYS 37 2HB CYS 37 -3.352 18.004 -22.054 264 2HB CYS 37 1HB CYS 37 -2.707 19.270 -21.009 265 HG CYS 37 HG CYS 37 -4.673 20.779 -21.585 266 H GLY 38 H GLY 38 -0.518 18.459 -24.568 267 1HA GLY 38 2HA GLY 38 1.646 17.599 -24.157 268 2HA GLY 38 1HA GLY 38 1.915 19.233 -23.549 269 H ASP 39 H ASP 39 0.164 16.338 -22.362 270 HA ASP 39 HA ASP 39 1.642 16.686 -19.783 271 1HB ASP 39 2HB ASP 39 -0.855 17.295 -19.765 272 2HB ASP 39 1HB ASP 39 -1.161 15.573 -20.002 273 H VAL 40 H VAL 40 2.968 14.963 -19.489 274 HA VAL 40 HA VAL 40 2.402 12.432 -20.900 275 HB VAL 40 HB VAL 40 4.735 13.285 -19.158 276 1HG1 VAL 40 1HG1 VAL 40 4.307 10.816 -19.189 277 2HG1 VAL 40 2HG1 VAL 40 5.836 11.264 -19.945 278 3HG1 VAL 40 3HG1 VAL 40 4.445 10.854 -20.948 279 1HG2 VAL 40 1HG2 VAL 40 4.101 14.138 -21.686 280 2HG2 VAL 40 2HG2 VAL 40 5.096 12.723 -22.036 281 3HG2 VAL 40 3HG2 VAL 40 5.745 14.039 -21.057 282 H MET 41 H MET 41 1.513 10.680 -19.907 283 HA MET 41 HA MET 41 1.469 10.645 -16.917 284 1HB MET 41 2HB MET 41 -0.753 11.307 -17.829 285 2HB MET 41 1HB MET 41 -0.799 9.803 -18.750 286 1HG MET 41 2HG MET 41 -0.229 9.541 -15.847 287 2HG MET 41 1HG MET 41 -1.867 10.035 -16.279 288 1HE MET 41 1HE MET 41 -2.018 6.636 -15.108 289 2HE MET 41 2HE MET 41 -3.420 7.194 -16.018 290 3HE MET 41 3HE MET 41 -2.508 8.334 -15.033 291 H GLN 42 H GLN 42 1.988 8.663 -16.023 292 HA GLN 42 HA GLN 42 2.340 6.390 -17.939 293 1HB GLN 42 2HB GLN 42 4.464 7.492 -16.992 294 2HB GLN 42 1HB GLN 42 3.992 6.794 -15.441 295 1HG GLN 42 2HG GLN 42 3.979 4.549 -16.429 296 2HG GLN 42 1HG GLN 42 4.392 5.224 -18.005 297 1HE2 GLN 42 1HE2 GLN 42 5.774 6.411 -14.946 298 2HE2 GLN 42 2HE2 GLN 42 7.357 5.891 -15.267 299 H LEU 43 H LEU 43 2.221 4.225 -16.842 300 HA LEU 43 HA LEU 43 0.876 4.110 -14.242 301 1HB LEU 43 2HB LEU 43 -0.949 4.648 -15.921 302 2HB LEU 43 1HB LEU 43 -0.609 3.090 -16.677 303 HG LEU 43 HG LEU 43 -0.830 2.333 -14.073 304 1HD1 LEU 43 1HD1 LEU 43 -2.780 3.502 -13.118 305 2HD1 LEU 43 2HD1 LEU 43 -2.801 4.602 -14.496 306 3HD1 LEU 43 3HD1 LEU 43 -1.444 4.624 -13.369 307 1HD2 LEU 43 1HD2 LEU 43 -3.317 1.884 -14.757 308 2HD2 LEU 43 2HD2 LEU 43 -2.029 1.129 -15.695 309 3HD2 LEU 43 3HD2 LEU 43 -2.835 2.572 -16.308 310 H GLN 44 H GLN 44 1.617 2.281 -13.278 311 HA GLN 44 HA GLN 44 2.525 0.050 -15.056 312 1HB GLN 44 2HB GLN 44 3.721 1.295 -12.619 313 2HB GLN 44 1HB GLN 44 3.914 -0.446 -12.823 314 1HG GLN 44 2HG GLN 44 5.131 -0.215 -14.805 315 2HG GLN 44 1HG GLN 44 4.483 1.394 -15.129 316 1HE2 GLN 44 1HE2 GLN 44 7.370 0.224 -14.628 317 2HE2 GLN 44 2HE2 GLN 44 8.032 1.333 -13.526 318 H ILE 45 H ILE 45 1.802 -2.021 -14.538 319 HA ILE 45 HA ILE 45 0.091 -2.262 -12.097 320 HB ILE 45 HB ILE 45 -1.134 -3.994 -13.763 321 1HG1 ILE 45 2HG1 ILE 45 -0.683 -1.734 -15.658 322 2HG1 ILE 45 1HG1 ILE 45 0.601 -2.937 -15.523 323 1HG2 ILE 45 1HG2 ILE 45 -2.794 -2.184 -14.170 324 2HG2 ILE 45 2HG2 ILE 45 -1.611 -1.002 -13.611 325 3HG2 ILE 45 3HG2 ILE 45 -2.241 -2.213 -12.495 326 1HD1 ILE 45 1HD1 ILE 45 -2.314 -3.533 -16.113 327 2HD1 ILE 45 2HD1 ILE 45 -1.030 -4.734 -15.975 328 3HD1 ILE 45 3HD1 ILE 45 -1.001 -3.561 -17.291 329 H LYS 46 H LYS 46 0.790 -3.902 -10.817 330 HA LYS 46 HA LYS 46 2.595 -5.941 -12.025 331 1HB LYS 46 2HB LYS 46 3.542 -4.802 -10.105 332 2HB LYS 46 1HB LYS 46 2.100 -5.134 -9.145 333 1HG LYS 46 2HG LYS 46 2.529 -7.542 -9.281 334 2HG LYS 46 1HG LYS 46 3.934 -7.251 -10.306 335 1HD LYS 46 2HD LYS 46 4.958 -5.920 -8.460 336 2HD LYS 46 1HD LYS 46 3.587 -6.343 -7.435 337 1HE LYS 46 2HE LYS 46 5.603 -8.242 -8.660 338 2HE LYS 46 1HE LYS 46 5.364 -7.903 -6.946 339 1HZ LYS 46 1HZ LYS 46 3.727 -9.497 -8.775 340 2HZ LYS 46 2HZ LYS 46 2.936 -8.658 -7.526 341 3HZ LYS 46 3HZ LYS 46 4.145 -9.795 -7.158 342 H VAL 47 H VAL 47 2.115 -8.146 -11.863 343 HA VAL 47 HA VAL 47 -0.510 -8.848 -10.621 344 HB VAL 47 HB VAL 47 0.540 -9.807 -13.302 345 1HG1 VAL 47 1HG1 VAL 47 -0.653 -11.591 -12.166 346 2HG1 VAL 47 2HG1 VAL 47 -1.703 -10.930 -13.419 347 3HG1 VAL 47 3HG1 VAL 47 -1.961 -10.491 -11.731 348 1HG2 VAL 47 1HG2 VAL 47 -0.855 -8.295 -14.295 349 2HG2 VAL 47 2HG2 VAL 47 -0.712 -7.436 -12.761 350 3HG2 VAL 47 3HG2 VAL 47 -2.097 -8.486 -13.058 351 H ASP 48 H ASP 48 -0.639 -11.111 -9.950 352 HA ASP 48 HA ASP 48 1.973 -12.115 -9.044 353 1HB ASP 48 2HB ASP 48 0.162 -12.203 -7.446 354 2HB ASP 48 1HB ASP 48 -0.868 -13.067 -8.588 355 H ASP 49 H ASP 49 -0.294 -14.587 -9.649 356 HA ASP 49 HA ASP 49 0.968 -15.290 -12.252 357 1HB ASP 49 2HB ASP 49 1.254 -17.644 -11.431 358 2HB ASP 49 1HB ASP 49 2.290 -16.488 -10.594 359 H ASN 50 H ASN 50 -1.785 -14.630 -10.744 360 HA ASN 50 HA ASN 50 -3.318 -16.704 -12.262 361 1HB ASN 50 2HB ASN 50 -5.084 -15.895 -10.348 362 2HB ASN 50 1HB ASN 50 -4.037 -17.306 -10.180 363 1HD2 ASN 50 1HD2 ASN 50 -3.548 -13.735 -9.841 364 2HD2 ASN 50 2HD2 ASN 50 -2.760 -13.844 -8.342 365 H GLY 51 H GLY 51 -2.994 -13.341 -11.310 366 1HA GLY 51 2HA GLY 51 -3.763 -11.884 -13.336 367 2HA GLY 51 1HA GLY 51 -5.327 -12.638 -13.030 368 H ILE 52 H ILE 52 -4.064 -12.460 -10.053 369 HA ILE 52 HA ILE 52 -5.651 -10.105 -9.363 370 HB ILE 52 HB ILE 52 -3.821 -11.784 -7.620 371 1HG1 ILE 52 2HG1 ILE 52 -5.568 -13.157 -8.658 372 2HG1 ILE 52 1HG1 ILE 52 -5.933 -12.917 -6.948 373 1HG2 ILE 52 1HG2 ILE 52 -5.467 -10.889 -5.852 374 2HG2 ILE 52 2HG2 ILE 52 -5.937 -9.701 -7.068 375 3HG2 ILE 52 3HG2 ILE 52 -4.275 -9.751 -6.481 376 1HD1 ILE 52 1HD1 ILE 52 -7.995 -12.439 -7.927 377 2HD1 ILE 52 2HD1 ILE 52 -7.260 -11.708 -9.355 378 3HD1 ILE 52 3HD1 ILE 52 -7.277 -10.830 -7.826 379 H ILE 53 H ILE 53 -4.869 -8.073 -8.882 380 HA ILE 53 HA ILE 53 -2.014 -7.577 -9.482 381 HB ILE 53 HB ILE 53 -4.469 -5.863 -9.216 382 1HG1 ILE 53 2HG1 ILE 53 -2.284 -5.654 -11.273 383 2HG1 ILE 53 1HG1 ILE 53 -3.454 -6.971 -11.373 384 1HG2 ILE 53 1HG2 ILE 53 -2.735 -3.930 -9.568 385 2HG2 ILE 53 2HG2 ILE 53 -1.604 -5.047 -8.805 386 3HG2 ILE 53 3HG2 ILE 53 -3.045 -4.519 -7.935 387 1HD1 ILE 53 1HD1 ILE 53 -4.392 -4.133 -11.008 388 2HD1 ILE 53 2HD1 ILE 53 -5.266 -5.509 -11.680 389 3HD1 ILE 53 3HD1 ILE 53 -3.984 -4.738 -12.614 390 H GLU 54 H GLU 54 -0.718 -7.961 -7.732 391 HA GLU 54 HA GLU 54 -1.611 -7.655 -5.001 392 1HB GLU 54 2HB GLU 54 1.046 -8.150 -6.322 393 2HB GLU 54 1HB GLU 54 0.969 -7.790 -4.597 394 1HG GLU 54 2HG GLU 54 -0.833 -9.892 -5.775 395 2HG GLU 54 1HG GLU 54 0.839 -10.287 -5.374 396 H ASP 55 H ASP 55 -0.436 -5.439 -7.351 397 HA ASP 55 HA ASP 55 -0.757 -3.203 -5.568 398 1HB ASP 55 2HB ASP 55 1.350 -3.890 -4.612 399 2HB ASP 55 1HB ASP 55 2.072 -4.074 -6.211 400 H ALA 56 H ALA 56 -0.567 -1.193 -6.703 401 HA ALA 56 HA ALA 56 0.039 -1.424 -9.617 402 1HB ALA 56 1HB ALA 56 -2.055 -0.821 -10.218 403 2HB ALA 56 2HB ALA 56 -2.084 0.490 -9.040 404 3HB ALA 56 3HB ALA 56 -2.532 -1.145 -8.552 405 H LYS 57 H LYS 57 1.842 -0.146 -9.775 406 HA LYS 57 HA LYS 57 1.998 2.334 -8.157 407 1HB LYS 57 2HB LYS 57 3.921 0.547 -9.504 408 2HB LYS 57 1HB LYS 57 4.296 2.264 -9.655 409 1HG LYS 57 2HG LYS 57 3.963 2.454 -7.149 410 2HG LYS 57 1HG LYS 57 3.886 0.693 -7.100 411 1HD LYS 57 2HD LYS 57 6.152 1.004 -6.728 412 2HD LYS 57 1HD LYS 57 6.141 0.894 -8.488 413 1HE LYS 57 2HE LYS 57 5.618 3.564 -8.082 414 2HE LYS 57 1HE LYS 57 6.730 3.201 -6.761 415 1HZ LYS 57 1HZ LYS 57 7.809 1.917 -8.903 416 2HZ LYS 57 2HZ LYS 57 8.328 3.405 -8.270 417 3HZ LYS 57 3HZ LYS 57 7.238 3.367 -9.572 418 H PHE 58 H PHE 58 2.434 4.395 -9.195 419 HA PHE 58 HA PHE 58 1.796 4.500 -12.105 420 1HB PHE 58 2HB PHE 58 0.371 6.539 -11.592 421 2HB PHE 58 1HB PHE 58 -0.308 5.002 -11.055 422 HD1 PHE 58 HD1 PHE 58 0.397 4.260 -8.609 423 HD2 PHE 58 HD2 PHE 58 0.500 8.300 -10.066 424 HE1 PHE 58 HE1 PHE 58 0.336 5.103 -6.278 425 HE2 PHE 58 HE2 PHE 58 0.438 9.143 -7.734 426 HZ PHE 58 HZ PHE 58 0.356 7.544 -5.841 427 H LYS 59 H LYS 59 2.023 7.079 -12.672 428 HA LYS 59 HA LYS 59 4.091 8.476 -11.200 429 1HB LYS 59 2HB LYS 59 4.899 6.535 -13.199 430 2HB LYS 59 1HB LYS 59 5.403 8.158 -13.672 431 1HG LYS 59 2HG LYS 59 5.847 7.173 -10.859 432 2HG LYS 59 1HG LYS 59 6.992 6.780 -12.143 433 1HD LYS 59 2HD LYS 59 7.799 8.900 -12.239 434 2HD LYS 59 1HD LYS 59 6.194 9.615 -12.076 435 1HE LYS 59 2HE LYS 59 6.224 9.418 -9.711 436 2HE LYS 59 1HE LYS 59 7.584 8.295 -9.743 437 1HZ LYS 59 1HZ LYS 59 8.993 10.067 -10.569 438 2HZ LYS 59 2HZ LYS 59 8.276 10.521 -9.098 439 3HZ LYS 59 3HZ LYS 59 7.686 11.149 -10.562 440 H THR 60 H THR 60 3.095 10.440 -11.452 441 HA THR 60 HA THR 60 2.301 11.229 -14.226 442 HB THR 60 HB THR 60 0.754 12.826 -13.160 443 HG1 THR 60 HG1 THR 60 1.399 11.619 -10.698 444 1HG2 THR 60 1HG2 THR 60 -0.158 10.600 -11.604 445 2HG2 THR 60 2HG2 THR 60 0.575 9.984 -13.085 446 3HG2 THR 60 3HG2 THR 60 -0.743 11.152 -13.172 447 H TYR 61 H TYR 61 3.022 13.236 -15.014 448 HA TYR 61 HA TYR 61 4.598 15.005 -13.272 449 1HB TYR 61 2HB TYR 61 6.062 13.047 -14.306 450 2HB TYR 61 1HB TYR 61 6.006 14.067 -15.745 451 HD1 TYR 61 HD1 TYR 61 6.729 16.500 -15.552 452 HD2 TYR 61 HD2 TYR 61 7.464 13.597 -12.471 453 HE1 TYR 61 HE1 TYR 61 8.466 17.975 -14.576 454 HE2 TYR 61 HE2 TYR 61 9.202 15.073 -11.495 455 HH TYR 61 HH TYR 61 10.391 16.939 -11.766 456 H GLY 62 H GLY 62 3.567 16.879 -13.812 457 1HA GLY 62 2HA GLY 62 3.961 18.321 -16.128 458 2HA GLY 62 1HA GLY 62 2.539 17.346 -16.504 459 H CYS 63 H CYS 63 0.978 17.344 -14.385 460 HA CYS 63 HA CYS 63 0.513 20.238 -13.816 461 1HB CYS 63 2HB CYS 63 -1.297 18.984 -15.012 462 2HB CYS 63 1HB CYS 63 -1.441 17.928 -13.606 463 HG CYS 63 HG CYS 63 -2.973 19.655 -12.714 464 H GLY 64 H GLY 64 0.495 20.936 -11.701 465 1HA GLY 64 2HA GLY 64 1.422 19.045 -9.657 466 2HA GLY 64 1HA GLY 64 1.214 20.782 -9.441 467 H SER 65 H SER 65 -1.228 18.504 -10.647 468 HA SER 65 HA SER 65 -2.633 18.314 -8.124 469 1HB SER 65 2HB SER 65 -3.304 20.516 -10.005 470 2HB SER 65 1HB SER 65 -4.665 19.618 -9.337 471 HG SER 65 HG SER 65 -3.011 21.414 -8.153 472 H ALA 66 H ALA 66 -1.777 16.852 -10.698 473 HA ALA 66 HA ALA 66 -4.404 15.868 -11.649 474 1HB ALA 66 1HB ALA 66 -2.960 16.102 -13.475 475 2HB ALA 66 2HB ALA 66 -2.779 14.391 -13.089 476 3HB ALA 66 3HB ALA 66 -1.558 15.548 -12.561 477 H ILE 67 H ILE 67 -1.682 14.880 -9.667 478 HA ILE 67 HA ILE 67 -1.895 12.133 -9.517 479 HB ILE 67 HB ILE 67 -1.883 13.201 -6.818 480 1HG1 ILE 67 2HG1 ILE 67 -1.372 15.330 -7.988 481 2HG1 ILE 67 1HG1 ILE 67 0.020 14.738 -7.082 482 1HG2 ILE 67 1HG2 ILE 67 0.134 11.929 -8.680 483 2HG2 ILE 67 2HG2 ILE 67 -0.722 11.176 -7.335 484 3HG2 ILE 67 3HG2 ILE 67 0.528 12.380 -7.022 485 1HD1 ILE 67 1HD1 ILE 67 -0.135 13.722 -9.842 486 2HD1 ILE 67 2HD1 ILE 67 1.244 14.381 -8.961 487 3HD1 ILE 67 3HD1 ILE 67 0.085 15.468 -9.729 488 H ALA 68 H ALA 68 -4.257 14.481 -8.453 489 HA ALA 68 HA ALA 68 -5.827 13.063 -6.651 490 1HB ALA 68 1HB ALA 68 -6.167 15.396 -7.931 491 2HB ALA 68 2HB ALA 68 -7.505 14.565 -7.137 492 3HB ALA 68 3HB ALA 68 -7.281 14.411 -8.880 493 H SER 69 H SER 69 -6.267 12.955 -10.212 494 HA SER 69 HA SER 69 -8.064 10.689 -10.046 495 1HB SER 69 2HB SER 69 -7.081 10.715 -12.638 496 2HB SER 69 1HB SER 69 -8.503 11.588 -12.073 497 HG SER 69 HG SER 69 -7.238 13.386 -11.737 498 H SER 70 H SER 70 -4.667 11.033 -11.116 499 HA SER 70 HA SER 70 -4.111 8.382 -11.772 500 1HB SER 70 2HB SER 70 -2.586 10.712 -11.070 501 2HB SER 70 1HB SER 70 -1.882 9.310 -10.269 502 HG SER 70 HG SER 70 -1.002 9.177 -12.221 503 H SER 71 H SER 71 -4.170 9.834 -8.520 504 HA SER 71 HA SER 71 -3.313 7.449 -7.154 505 1HB SER 71 2HB SER 71 -4.440 10.078 -6.406 506 2HB SER 71 1HB SER 71 -4.796 8.771 -5.281 507 HG SER 71 HG SER 71 -2.338 9.875 -6.059 508 H LEU 72 H LEU 72 -6.542 8.819 -7.813 509 HA LEU 72 HA LEU 72 -8.071 6.875 -6.438 510 1HB LEU 72 2HB LEU 72 -9.054 8.924 -7.381 511 2HB LEU 72 1HB LEU 72 -8.740 8.332 -9.014 512 HG LEU 72 HG LEU 72 -10.161 6.318 -8.464 513 1HD1 LEU 72 1HD1 LEU 72 -10.124 7.656 -5.874 514 2HD1 LEU 72 2HD1 LEU 72 -10.625 6.013 -6.276 515 3HD1 LEU 72 3HD1 LEU 72 -11.771 7.345 -6.424 516 1HD2 LEU 72 1HD2 LEU 72 -12.020 8.551 -8.007 517 2HD2 LEU 72 2HD2 LEU 72 -11.928 7.426 -9.363 518 3HD2 LEU 72 3HD2 LEU 72 -10.881 8.844 -9.323 519 H ILE 73 H ILE 73 -7.759 6.931 -9.998 520 HA ILE 73 HA ILE 73 -8.613 4.391 -10.600 521 HB ILE 73 HB ILE 73 -7.841 5.977 -12.312 522 1HG1 ILE 73 2HG1 ILE 73 -6.073 3.556 -12.601 523 2HG1 ILE 73 1HG1 ILE 73 -7.828 3.370 -12.590 524 1HG2 ILE 73 1HG2 ILE 73 -5.018 5.195 -11.560 525 2HG2 ILE 73 2HG2 ILE 73 -5.795 6.643 -10.917 526 3HG2 ILE 73 3HG2 ILE 73 -5.536 6.478 -12.654 527 1HD1 ILE 73 1HD1 ILE 73 -8.104 4.630 -14.548 528 2HD1 ILE 73 2HD1 ILE 73 -6.620 3.736 -14.877 529 3HD1 ILE 73 3HD1 ILE 73 -6.538 5.423 -14.371 530 H THR 74 H THR 74 -5.322 5.221 -9.491 531 HA THR 74 HA THR 74 -4.232 2.602 -9.633 532 HB THR 74 HB THR 74 -2.808 3.543 -7.616 533 HG1 THR 74 HG1 THR 74 -4.518 5.238 -7.406 534 1HG2 THR 74 1HG2 THR 74 -1.935 5.288 -9.547 535 2HG2 THR 74 2HG2 THR 74 -2.856 4.126 -10.501 536 3HG2 THR 74 3HG2 THR 74 -1.524 3.574 -9.486 537 H GLU 75 H GLU 75 -6.160 4.175 -7.105 538 HA GLU 75 HA GLU 75 -5.846 2.025 -5.190 539 1HB GLU 75 2HB GLU 75 -6.545 4.377 -4.616 540 2HB GLU 75 1HB GLU 75 -8.104 4.039 -5.366 541 1HG GLU 75 2HG GLU 75 -8.671 2.422 -3.746 542 2HG GLU 75 1HG GLU 75 -6.998 2.234 -3.220 543 H TRP 76 H TRP 76 -8.618 2.976 -7.261 544 HA TRP 76 HA TRP 76 -10.288 0.794 -6.699 545 1HB TRP 76 2HB TRP 76 -10.143 2.848 -8.696 546 2HB TRP 76 1HB TRP 76 -10.486 1.317 -9.500 547 HD1 TRP 76 HD1 TRP 76 -11.730 3.162 -6.324 548 HE1 TRP 76 HE1 TRP 76 -14.278 2.817 -6.149 549 HE3 TRP 76 HE3 TRP 76 -12.502 0.208 -10.418 550 HZ2 TRP 76 HZ2 TRP 76 -16.369 1.466 -7.560 551 HZ3 TRP 76 HZ3 TRP 76 -14.780 -0.592 -10.978 552 HH2 TRP 76 HH2 TRP 76 -16.713 0.032 -9.556 553 H VAL 77 H VAL 77 -7.443 0.933 -8.779 554 HA VAL 77 HA VAL 77 -7.904 -1.920 -9.522 555 HB VAL 77 HB VAL 77 -6.393 -1.582 -11.347 556 1HG1 VAL 77 1HG1 VAL 77 -8.730 -0.112 -11.048 557 2HG1 VAL 77 2HG1 VAL 77 -7.850 -0.346 -12.559 558 3HG1 VAL 77 3HG1 VAL 77 -7.559 1.094 -11.583 559 1HG2 VAL 77 1HG2 VAL 77 -4.567 -0.326 -10.856 560 2HG2 VAL 77 2HG2 VAL 77 -5.427 0.590 -9.619 561 3HG2 VAL 77 3HG2 VAL 77 -5.559 1.057 -11.314 562 H LYS 78 H LYS 78 -7.225 -2.072 -7.048 563 HA LYS 78 HA LYS 78 -4.356 -2.823 -7.076 564 1HB LYS 78 2HB LYS 78 -4.798 -0.447 -6.059 565 2HB LYS 78 1HB LYS 78 -5.431 -1.352 -4.682 566 1HG LYS 78 2HG LYS 78 -3.243 -2.695 -4.768 567 2HG LYS 78 1HG LYS 78 -2.641 -1.430 -5.839 568 1HD LYS 78 2HD LYS 78 -3.105 0.267 -4.119 569 2HD LYS 78 1HD LYS 78 -3.741 -0.982 -3.048 570 1HE LYS 78 2HE LYS 78 -1.535 -2.119 -3.091 571 2HE LYS 78 1HE LYS 78 -0.903 -0.825 -4.108 572 1HZ LYS 78 1HZ LYS 78 -0.307 -0.183 -1.982 573 2HZ LYS 78 2HZ LYS 78 -1.766 -0.708 -1.290 574 3HZ LYS 78 3HZ LYS 78 -1.732 0.698 -2.243 575 H GLY 79 H GLY 79 -4.937 -5.009 -6.942 576 1HA GLY 79 2HA GLY 79 -5.070 -6.798 -5.244 577 2HA GLY 79 1HA GLY 79 -6.241 -5.805 -4.374 578 H LYS 80 H LYS 80 -7.311 -5.163 -7.245 579 HA LYS 80 HA LYS 80 -9.407 -7.183 -7.174 580 1HB LYS 80 2HB LYS 80 -8.848 -5.127 -9.331 581 2HB LYS 80 1HB LYS 80 -10.371 -5.965 -9.035 582 1HG LYS 80 2HG LYS 80 -9.218 -4.486 -6.730 583 2HG LYS 80 1HG LYS 80 -9.847 -3.504 -8.052 584 1HD LYS 80 2HD LYS 80 -12.022 -4.413 -7.849 585 2HD LYS 80 1HD LYS 80 -11.451 -5.784 -6.895 586 1HE LYS 80 2HE LYS 80 -10.910 -4.296 -5.027 587 2HE LYS 80 1HE LYS 80 -11.393 -2.893 -5.979 588 1HZ LYS 80 1HZ LYS 80 -13.489 -4.717 -6.071 589 2HZ LYS 80 2HZ LYS 80 -13.454 -3.210 -5.285 590 3HZ LYS 80 3HZ LYS 80 -13.006 -4.620 -4.448 591 H SER 81 H SER 81 -9.807 -7.572 -9.973 592 HA SER 81 HA SER 81 -7.440 -9.289 -10.617 593 1HB SER 81 2HB SER 81 -9.310 -10.716 -10.120 594 2HB SER 81 1HB SER 81 -10.396 -9.736 -11.100 595 HG SER 81 HG SER 81 -8.093 -10.893 -12.233 596 H LEU 82 H LEU 82 -7.037 -9.572 -12.955 597 HA LEU 82 HA LEU 82 -6.991 -7.130 -14.391 598 1HB LEU 82 2HB LEU 82 -6.605 -10.011 -15.119 599 2HB LEU 82 1HB LEU 82 -6.759 -8.830 -16.419 600 HG LEU 82 HG LEU 82 -4.816 -8.540 -14.112 601 1HD1 LEU 82 1HD1 LEU 82 -4.666 -10.405 -16.166 602 2HD1 LEU 82 2HD1 LEU 82 -3.303 -9.803 -15.222 603 3HD1 LEU 82 3HD1 LEU 82 -3.704 -9.056 -16.769 604 1HD2 LEU 82 1HD2 LEU 82 -3.912 -7.109 -16.304 605 2HD2 LEU 82 2HD2 LEU 82 -4.783 -6.424 -14.933 606 3HD2 LEU 82 3HD2 LEU 82 -5.659 -6.887 -16.391 607 H GLU 83 H GLU 83 -9.536 -9.406 -13.939 608 HA GLU 83 HA GLU 83 -11.046 -8.860 -16.330 609 1HB GLU 83 2HB GLU 83 -11.421 -10.809 -14.769 610 2HB GLU 83 1HB GLU 83 -12.127 -9.675 -13.617 611 1HG GLU 83 2HG GLU 83 -13.878 -9.079 -15.170 612 2HG GLU 83 1HG GLU 83 -13.110 -10.001 -16.464 613 H GLU 84 H GLU 84 -10.746 -7.257 -13.215 614 HA GLU 84 HA GLU 84 -13.008 -5.457 -13.775 615 1HB GLU 84 2HB GLU 84 -12.504 -6.197 -11.453 616 2HB GLU 84 1HB GLU 84 -10.948 -5.371 -11.548 617 1HG GLU 84 2HG GLU 84 -12.263 -3.736 -10.536 618 2HG GLU 84 1HG GLU 84 -12.422 -3.298 -12.237 619 H ALA 85 H ALA 85 -9.453 -5.211 -13.504 620 HA ALA 85 HA ALA 85 -9.392 -2.411 -14.235 621 1HB ALA 85 1HB ALA 85 -7.553 -3.562 -12.994 622 2HB ALA 85 2HB ALA 85 -6.979 -2.726 -14.437 623 3HB ALA 85 3HB ALA 85 -7.181 -4.478 -14.455 624 H GLY 86 H GLY 86 -9.955 -5.241 -16.016 625 1HA GLY 86 2HA GLY 86 -9.162 -3.863 -18.550 626 2HA GLY 86 1HA GLY 86 -9.222 -5.617 -18.372 627 H ALA 87 H ALA 87 -11.553 -3.102 -17.388 628 HA ALA 87 HA ALA 87 -13.449 -3.762 -19.475 629 1HB ALA 87 1HB ALA 87 -14.264 -4.656 -16.704 630 2HB ALA 87 2HB ALA 87 -13.535 -5.771 -17.859 631 3HB ALA 87 3HB ALA 87 -15.068 -4.988 -18.238 632 H ILE 88 H ILE 88 -12.764 -2.371 -16.318 633 HA ILE 88 HA ILE 88 -14.997 -0.741 -15.905 634 HB ILE 88 HB ILE 88 -13.336 0.871 -14.848 635 1HG1 ILE 88 2HG1 ILE 88 -11.350 -1.278 -15.641 636 2HG1 ILE 88 1HG1 ILE 88 -11.494 0.272 -16.469 637 1HG2 ILE 88 1HG2 ILE 88 -14.077 -1.794 -14.129 638 2HG2 ILE 88 2HG2 ILE 88 -13.682 -0.450 -13.059 639 3HG2 ILE 88 3HG2 ILE 88 -12.410 -1.539 -13.614 640 1HD1 ILE 88 1HD1 ILE 88 -9.874 -0.200 -14.293 641 2HD1 ILE 88 2HD1 ILE 88 -11.303 0.512 -13.544 642 3HD1 ILE 88 3HD1 ILE 88 -10.436 1.392 -14.804 643 H LYS 89 H LYS 89 -14.725 1.832 -16.146 644 HA LYS 89 HA LYS 89 -13.689 2.511 -18.844 645 1HB LYS 89 2HB LYS 89 -16.557 2.630 -17.951 646 2HB LYS 89 1HB LYS 89 -15.954 3.818 -19.105 647 1HG LYS 89 2HG LYS 89 -15.788 2.291 -20.783 648 2HG LYS 89 1HG LYS 89 -15.197 1.028 -19.704 649 1HD LYS 89 2HD LYS 89 -17.506 0.740 -18.820 650 2HD LYS 89 1HD LYS 89 -18.076 1.940 -19.982 651 1HE LYS 89 2HE LYS 89 -16.547 -0.517 -20.849 652 2HE LYS 89 1HE LYS 89 -18.303 -0.524 -20.674 653 1HZ LYS 89 1HZ LYS 89 -16.965 1.577 -22.250 654 2HZ LYS 89 2HZ LYS 89 -18.565 1.013 -22.356 655 3HZ LYS 89 3HZ LYS 89 -17.285 0.062 -22.944 656 H ASN 90 H ASN 90 -14.225 5.051 -19.120 657 HA ASN 90 HA ASN 90 -13.155 6.299 -16.648 658 1HB ASN 90 2HB ASN 90 -12.638 8.220 -18.095 659 2HB ASN 90 1HB ASN 90 -11.976 6.736 -18.782 660 1HD2 ASN 90 1HD2 ASN 90 -12.519 8.973 -20.460 661 2HD2 ASN 90 2HD2 ASN 90 -13.819 8.588 -21.480 662 H SER 91 H SER 91 -16.085 5.910 -18.336 663 HA SER 91 HA SER 91 -17.321 8.440 -17.673 664 1HB SER 91 2HB SER 91 -18.072 6.615 -19.395 665 2HB SER 91 1HB SER 91 -18.866 5.877 -18.007 666 HG SER 91 HG SER 91 -19.377 8.473 -17.950 667 H GLN 92 H GLN 92 -17.247 5.237 -16.118 668 HA GLN 92 HA GLN 92 -19.024 5.926 -13.968 669 1HB GLN 92 2HB GLN 92 -17.071 3.751 -14.538 670 2HB GLN 92 1HB GLN 92 -17.492 4.012 -12.844 671 1HG GLN 92 2HG GLN 92 -19.007 2.368 -13.926 672 2HG GLN 92 1HG GLN 92 -19.877 3.803 -13.380 673 1HE2 GLN 92 1HE2 GLN 92 -18.285 2.483 -16.336 674 2HE2 GLN 92 2HE2 GLN 92 -19.350 3.235 -17.422 675 H ILE 93 H ILE 93 -15.447 5.785 -14.111 676 HA ILE 93 HA ILE 93 -14.977 6.798 -11.502 677 HB ILE 93 HB ILE 93 -13.403 6.743 -14.055 678 1HG1 ILE 93 2HG1 ILE 93 -12.840 5.771 -11.234 679 2HG1 ILE 93 1HG1 ILE 93 -13.532 4.780 -12.519 680 1HG2 ILE 93 1HG2 ILE 93 -12.876 8.467 -11.651 681 2HG2 ILE 93 2HG2 ILE 93 -12.632 8.834 -13.358 682 3HG2 ILE 93 3HG2 ILE 93 -11.518 7.753 -12.521 683 1HD1 ILE 93 1HD1 ILE 93 -11.187 4.315 -12.529 684 2HD1 ILE 93 2HD1 ILE 93 -10.779 6.028 -12.424 685 3HD1 ILE 93 3HD1 ILE 93 -11.476 5.377 -13.908 686 H ALA 94 H ALA 94 -15.929 8.399 -14.457 687 HA ALA 94 HA ALA 94 -15.218 11.079 -13.663 688 1HB ALA 94 1HB ALA 94 -16.441 11.792 -15.555 689 2HB ALA 94 2HB ALA 94 -17.528 10.404 -15.483 690 3HB ALA 94 3HB ALA 94 -15.861 10.192 -16.015 691 H GLU 95 H GLU 95 -18.188 9.141 -13.362 692 HA GLU 95 HA GLU 95 -19.722 11.259 -12.131 693 1HB GLU 95 2HB GLU 95 -20.101 8.457 -12.833 694 2HB GLU 95 1HB GLU 95 -20.797 8.827 -11.255 695 1HG GLU 95 2HG GLU 95 -21.322 10.376 -13.810 696 2HG GLU 95 1HG GLU 95 -22.434 9.226 -13.065 697 H GLU 96 H GLU 96 -17.346 9.011 -10.990 698 HA GLU 96 HA GLU 96 -18.141 9.135 -8.187 699 1HB GLU 96 2HB GLU 96 -16.863 7.215 -9.045 700 2HB GLU 96 1HB GLU 96 -15.527 8.284 -9.473 701 1HG GLU 96 2HG GLU 96 -15.169 7.122 -7.291 702 2HG GLU 96 1HG GLU 96 -15.196 8.879 -7.132 703 H LEU 97 H LEU 97 -15.372 10.492 -10.016 704 HA LEU 97 HA LEU 97 -14.710 12.281 -7.795 705 1HB LEU 97 2HB LEU 97 -13.132 11.214 -9.621 706 2HB LEU 97 1HB LEU 97 -13.613 12.622 -10.568 707 HG LEU 97 HG LEU 97 -13.033 13.939 -8.362 708 1HD1 LEU 97 1HD1 LEU 97 -12.579 11.502 -7.350 709 2HD1 LEU 97 2HD1 LEU 97 -11.651 12.909 -6.832 710 3HD1 LEU 97 3HD1 LEU 97 -10.979 11.800 -8.028 711 1HD2 LEU 97 1HD2 LEU 97 -11.226 12.841 -10.489 712 2HD2 LEU 97 2HD2 LEU 97 -10.510 13.769 -9.170 713 3HD2 LEU 97 3HD2 LEU 97 -11.734 14.506 -10.205 714 H GLU 98 H GLU 98 -17.069 12.330 -10.140 715 HA GLU 98 HA GLU 98 -18.209 14.089 -11.263 716 1HB GLU 98 2HB GLU 98 -19.097 14.049 -8.930 717 2HB GLU 98 1HB GLU 98 -17.891 15.255 -8.480 718 1HG GLU 98 2HG GLU 98 -19.502 15.925 -10.868 719 2HG GLU 98 1HG GLU 98 -20.396 15.880 -9.349 720 H LEU 99 H LEU 99 -16.070 14.534 -12.465 721 HA LEU 99 HA LEU 99 -14.790 17.073 -11.605 722 1HB LEU 99 2HB LEU 99 -13.150 16.587 -13.384 723 2HB LEU 99 1HB LEU 99 -13.315 15.214 -12.290 724 HG LEU 99 HG LEU 99 -15.272 14.995 -14.394 725 1HD1 LEU 99 1HD1 LEU 99 -12.389 15.275 -15.298 726 2HD1 LEU 99 2HD1 LEU 99 -13.704 16.378 -15.705 727 3HD1 LEU 99 3HD1 LEU 99 -13.728 14.719 -16.302 728 1HD2 LEU 99 1HD2 LEU 99 -12.782 13.348 -13.862 729 2HD2 LEU 99 2HD2 LEU 99 -14.258 12.812 -14.663 730 3HD2 LEU 99 3HD2 LEU 99 -14.278 13.188 -12.941 731 HA PRO 100 HA PRO 100 -17.122 19.440 -14.508 732 1HB PRO 100 2HB PRO 100 -15.340 21.464 -15.006 733 2HB PRO 100 1HB PRO 100 -16.275 21.327 -13.503 734 1HG PRO 100 2HG PRO 100 -13.439 20.620 -14.041 735 2HG PRO 100 1HG PRO 100 -14.175 21.329 -12.594 736 1HD PRO 100 2HD PRO 100 -13.487 18.676 -12.793 737 2HD PRO 100 1HD PRO 100 -14.779 19.278 -11.733 738 HA PRO 101 HA PRO 101 -15.829 18.214 -18.563 739 1HB PRO 101 2HB PRO 101 -17.274 19.992 -20.066 740 2HB PRO 101 1HB PRO 101 -17.989 18.583 -19.260 741 1HG PRO 101 2HG PRO 101 -18.011 21.440 -18.451 742 2HG PRO 101 1HG PRO 101 -19.272 20.207 -18.288 743 1HD PRO 101 2HD PRO 101 -17.662 21.012 -16.207 744 2HD PRO 101 1HD PRO 101 -18.417 19.406 -16.302 745 H VAL 102 H VAL 102 -14.387 20.590 -17.104 746 HA VAL 102 HA VAL 102 -13.434 22.074 -19.495 747 HB VAL 102 HB VAL 102 -12.319 23.550 -17.878 748 1HG1 VAL 102 1HG1 VAL 102 -14.644 23.793 -16.401 749 2HG1 VAL 102 2HG1 VAL 102 -15.194 22.961 -17.856 750 3HG1 VAL 102 3HG1 VAL 102 -14.366 24.513 -17.986 751 1HG2 VAL 102 1HG2 VAL 102 -12.641 21.247 -16.176 752 2HG2 VAL 102 2HG2 VAL 102 -13.417 22.638 -15.419 753 3HG2 VAL 102 3HG2 VAL 102 -11.715 22.717 -15.873 754 H LYS 103 H LYS 103 -12.764 19.179 -18.534 755 HA LYS 103 HA LYS 103 -10.073 19.135 -19.505 756 1HB LYS 103 2HB LYS 103 -9.895 20.167 -17.105 757 2HB LYS 103 1HB LYS 103 -10.168 18.511 -16.563 758 1HG LYS 103 2HG LYS 103 -8.281 17.901 -18.261 759 2HG LYS 103 1HG LYS 103 -7.871 19.613 -18.165 760 1HD LYS 103 2HD LYS 103 -7.827 19.356 -15.641 761 2HD LYS 103 1HD LYS 103 -7.956 17.614 -15.893 762 1HE LYS 103 2HE LYS 103 -5.691 17.648 -15.998 763 2HE LYS 103 1HE LYS 103 -5.922 18.300 -17.620 764 1HZ LYS 103 1HZ LYS 103 -5.166 20.274 -16.987 765 2HZ LYS 103 2HZ LYS 103 -4.637 19.534 -15.552 766 3HZ LYS 103 3HZ LYS 103 -6.148 20.310 -15.605 767 H VAL 104 H VAL 104 -12.344 17.665 -20.108 768 HA VAL 104 HA VAL 104 -12.547 15.175 -18.697 769 HB VAL 104 HB VAL 104 -13.158 15.654 -21.625 770 1HG1 VAL 104 1HG1 VAL 104 -15.062 13.994 -20.795 771 2HG1 VAL 104 2HG1 VAL 104 -13.853 13.586 -19.576 772 3HG1 VAL 104 3HG1 VAL 104 -13.482 13.385 -21.289 773 1HG2 VAL 104 1HG2 VAL 104 -14.166 17.118 -19.498 774 2HG2 VAL 104 2HG2 VAL 104 -15.370 15.847 -19.709 775 3HG2 VAL 104 3HG2 VAL 104 -14.961 16.906 -21.058 776 H HIS 105 H HIS 105 -9.793 16.153 -19.683 777 HA HIS 105 HA HIS 105 -9.006 13.984 -21.511 778 1HB HIS 105 2HB HIS 105 -8.025 16.537 -21.006 779 2HB HIS 105 1HB HIS 105 -6.828 15.481 -20.256 780 HD2 HIS 105 HD2 HIS 105 -6.165 17.006 -23.185 781 HE1 HIS 105 HE1 HIS 105 -6.500 13.102 -24.762 782 HE2 HIS 105 HE2 HIS 105 -5.639 15.446 -25.208 783 H CYS 106 H CYS 106 -8.822 14.758 -18.087 784 HA CYS 106 HA CYS 106 -6.865 12.781 -17.370 785 1HB CYS 106 2HB CYS 106 -8.023 12.963 -15.080 786 2HB CYS 106 1HB CYS 106 -7.339 14.449 -15.739 787 HG CYS 106 HG CYS 106 -10.311 13.995 -16.417 788 H SER 107 H SER 107 -10.425 12.703 -17.494 789 HA SER 107 HA SER 107 -10.768 10.059 -16.512 790 1HB SER 107 2HB SER 107 -12.375 12.036 -17.951 791 2HB SER 107 1HB SER 107 -12.772 10.383 -18.410 792 HG SER 107 HG SER 107 -12.541 11.314 -15.736 793 H ILE 108 H ILE 108 -10.334 11.231 -19.859 794 HA ILE 108 HA ILE 108 -10.444 8.608 -21.046 795 HB ILE 108 HB ILE 108 -9.223 11.209 -22.014 796 1HG1 ILE 108 2HG1 ILE 108 -11.760 9.763 -22.837 797 2HG1 ILE 108 1HG1 ILE 108 -11.716 11.103 -21.692 798 1HG2 ILE 108 1HG2 ILE 108 -8.084 9.476 -23.200 799 2HG2 ILE 108 2HG2 ILE 108 -9.371 10.022 -24.275 800 3HG2 ILE 108 3HG2 ILE 108 -9.559 8.523 -23.365 801 1HD1 ILE 108 1HD1 ILE 108 -11.116 12.657 -23.325 802 2HD1 ILE 108 2HD1 ILE 108 -12.175 11.585 -24.239 803 3HD1 ILE 108 3HD1 ILE 108 -10.424 11.427 -24.383 804 H LEU 109 H LEU 109 -7.885 10.512 -19.580 805 HA LEU 109 HA LEU 109 -5.705 8.890 -20.595 806 1HB LEU 109 2HB LEU 109 -6.038 11.198 -18.857 807 2HB LEU 109 1HB LEU 109 -4.861 10.064 -18.194 808 HG LEU 109 HG LEU 109 -3.684 10.037 -20.379 809 1HD1 LEU 109 1HD1 LEU 109 -4.965 12.445 -21.417 810 2HD1 LEU 109 2HD1 LEU 109 -6.088 11.087 -21.328 811 3HD1 LEU 109 3HD1 LEU 109 -4.589 10.933 -22.245 812 1HD2 LEU 109 1HD2 LEU 109 -2.984 11.631 -18.630 813 2HD2 LEU 109 2HD2 LEU 109 -4.151 12.809 -19.230 814 3HD2 LEU 109 3HD2 LEU 109 -2.778 12.338 -20.233 815 H ALA 110 H ALA 110 -7.602 8.928 -17.586 816 HA ALA 110 HA ALA 110 -6.112 6.950 -16.186 817 1HB ALA 110 1HB ALA 110 -7.666 7.388 -14.618 818 2HB ALA 110 2HB ALA 110 -8.930 6.689 -15.630 819 3HB ALA 110 3HB ALA 110 -8.515 8.395 -15.790 820 H GLU 111 H GLU 111 -9.083 6.536 -18.154 821 HA GLU 111 HA GLU 111 -9.015 3.664 -18.013 822 1HB GLU 111 2HB GLU 111 -11.108 4.595 -18.593 823 2HB GLU 111 1HB GLU 111 -10.397 5.636 -19.829 824 1HG GLU 111 2HG GLU 111 -11.645 3.569 -20.679 825 2HG GLU 111 1HG GLU 111 -10.009 3.799 -21.297 826 H ASP 112 H ASP 112 -8.203 5.851 -20.739 827 HA ASP 112 HA ASP 112 -7.172 3.921 -22.492 828 1HB ASP 112 2HB ASP 112 -7.463 6.491 -22.800 829 2HB ASP 112 1HB ASP 112 -5.820 6.594 -22.168 830 H ALA 113 H ALA 113 -5.896 4.947 -19.464 831 HA ALA 113 HA ALA 113 -3.137 4.146 -20.067 832 1HB ALA 113 1HB ALA 113 -3.273 5.863 -18.451 833 2HB ALA 113 2HB ALA 113 -2.943 4.416 -17.498 834 3HB ALA 113 3HB ALA 113 -4.582 5.061 -17.582 835 H ILE 114 H ILE 114 -5.684 2.913 -17.853 836 HA ILE 114 HA ILE 114 -4.376 0.579 -17.021 837 HB ILE 114 HB ILE 114 -6.782 1.571 -16.468 838 1HG1 ILE 114 2HG1 ILE 114 -7.372 -0.819 -15.648 839 2HG1 ILE 114 1HG1 ILE 114 -5.823 -1.287 -16.347 840 1HG2 ILE 114 1HG2 ILE 114 -7.485 0.851 -18.873 841 2HG2 ILE 114 2HG2 ILE 114 -8.584 0.502 -17.539 842 3HG2 ILE 114 3HG2 ILE 114 -7.559 -0.775 -18.193 843 1HD1 ILE 114 1HD1 ILE 114 -5.854 -0.592 -13.851 844 2HD1 ILE 114 2HD1 ILE 114 -6.028 1.054 -14.458 845 3HD1 ILE 114 3HD1 ILE 114 -4.603 0.103 -14.880 846 H LYS 115 H LYS 115 -6.007 1.221 -20.083 847 HA LYS 115 HA LYS 115 -5.895 -1.548 -20.973 848 1HB LYS 115 2HB LYS 115 -7.171 0.770 -21.853 849 2HB LYS 115 1HB LYS 115 -5.973 0.445 -23.107 850 1HG LYS 115 2HG LYS 115 -7.936 -1.599 -22.027 851 2HG LYS 115 1HG LYS 115 -8.138 -0.715 -23.539 852 1HD LYS 115 2HD LYS 115 -5.508 -1.997 -23.281 853 2HD LYS 115 1HD LYS 115 -6.850 -3.141 -23.288 854 1HE LYS 115 2HE LYS 115 -6.017 -2.653 -25.583 855 2HE LYS 115 1HE LYS 115 -7.702 -2.181 -25.369 856 1HZ LYS 115 1HZ LYS 115 -6.882 -0.291 -26.292 857 2HZ LYS 115 2HZ LYS 115 -5.320 -0.509 -25.660 858 3HZ LYS 115 3HZ LYS 115 -6.570 0.067 -24.663 859 H ALA 116 H ALA 116 -4.161 1.376 -22.134 860 HA ALA 116 HA ALA 116 -2.287 0.284 -23.798 861 1HB ALA 116 1HB ALA 116 -2.203 2.507 -21.841 862 2HB ALA 116 2HB ALA 116 -1.796 2.502 -23.556 863 3HB ALA 116 3HB ALA 116 -0.632 1.909 -22.371 864 H ALA 117 H ALA 117 -2.327 -0.023 -20.275 865 HA ALA 117 HA ALA 117 0.228 -1.428 -20.175 866 1HB ALA 117 1HB ALA 117 -1.894 -1.542 -18.035 867 2HB ALA 117 2HB ALA 117 -0.935 -0.083 -18.281 868 3HB ALA 117 3HB ALA 117 -0.141 -1.598 -17.849 869 H ILE 118 H ILE 118 -3.056 -2.547 -19.270 870 HA ILE 118 HA ILE 118 -2.694 -5.251 -19.145 871 HB ILE 118 HB ILE 118 -4.925 -3.713 -20.484 872 1HG1 ILE 118 2HG1 ILE 118 -4.931 -5.339 -17.931 873 2HG1 ILE 118 1HG1 ILE 118 -4.471 -3.637 -17.958 874 1HG2 ILE 118 1HG2 ILE 118 -5.173 -5.773 -21.560 875 2HG2 ILE 118 2HG2 ILE 118 -6.139 -6.013 -20.104 876 3HG2 ILE 118 3HG2 ILE 118 -4.507 -6.676 -20.200 877 1HD1 ILE 118 1HD1 ILE 118 -6.770 -3.452 -19.332 878 2HD1 ILE 118 2HD1 ILE 118 -6.725 -3.376 -17.571 879 3HD1 ILE 118 3HD1 ILE 118 -7.145 -4.887 -18.378 880 H ALA 119 H ALA 119 -2.474 -3.297 -22.044 881 HA ALA 119 HA ALA 119 -2.465 -5.576 -23.865 882 1HB ALA 119 1HB ALA 119 -1.342 -2.842 -24.479 883 2HB ALA 119 2HB ALA 119 -3.082 -3.123 -24.408 884 3HB ALA 119 3HB ALA 119 -2.096 -3.991 -25.585 885 H ASP 120 H ASP 120 0.056 -3.295 -22.733 886 HA ASP 120 HA ASP 120 2.280 -4.454 -23.965 887 1HB ASP 120 2HB ASP 120 1.930 -3.077 -21.310 888 2HB ASP 120 1HB ASP 120 3.506 -3.709 -21.791 889 H TYR 121 H TYR 121 0.765 -5.424 -20.877 890 HA TYR 121 HA TYR 121 2.660 -7.594 -20.475 891 1HB TYR 121 2HB TYR 121 1.700 -6.784 -18.478 892 2HB TYR 121 1HB TYR 121 0.075 -6.771 -19.161 893 HD1 TYR 121 HD1 TYR 121 2.401 -9.594 -19.689 894 HD2 TYR 121 HD2 TYR 121 -0.900 -8.109 -17.372 895 HE1 TYR 121 HE1 TYR 121 2.006 -11.868 -18.793 896 HE2 TYR 121 HE2 TYR 121 -1.295 -10.388 -16.479 897 HH TYR 121 HH TYR 121 -0.806 -12.599 -16.801 898 H LYS 122 H LYS 122 -0.863 -7.603 -21.165 899 HA LYS 122 HA LYS 122 -1.262 -10.290 -21.660 900 1HB LYS 122 2HB LYS 122 -3.036 -8.566 -21.871 901 2HB LYS 122 1HB LYS 122 -2.318 -8.034 -23.393 902 1HG LYS 122 2HG LYS 122 -4.135 -9.551 -23.914 903 2HG LYS 122 1HG LYS 122 -2.616 -10.374 -24.270 904 1HD LYS 122 2HD LYS 122 -2.785 -11.779 -22.417 905 2HD LYS 122 1HD LYS 122 -3.836 -10.664 -21.543 906 1HE LYS 122 2HE LYS 122 -5.734 -11.395 -22.611 907 2HE LYS 122 1HE LYS 122 -4.878 -11.758 -24.110 908 1HZ LYS 122 1HZ LYS 122 -4.404 -13.828 -23.438 909 2HZ LYS 122 2HZ LYS 122 -5.704 -13.608 -22.366 910 3HZ LYS 122 3HZ LYS 122 -4.108 -13.368 -21.832 911 H ALA 123 H ALA 123 0.426 -7.985 -23.731 912 HA ALA 123 HA ALA 123 0.590 -9.508 -26.105 913 1HB ALA 123 1HB ALA 123 1.764 -7.150 -25.100 914 2HB ALA 123 2HB ALA 123 1.884 -7.777 -26.744 915 3HB ALA 123 3HB ALA 123 3.111 -8.196 -25.549 916 H LYS 124 H LYS 124 2.050 -10.042 -23.015 917 HA LYS 124 HA LYS 124 3.824 -12.132 -24.211 918 1HB LYS 124 2HB LYS 124 4.072 -11.225 -21.362 919 2HB LYS 124 1HB LYS 124 5.321 -11.820 -22.457 920 1HG LYS 124 2HG LYS 124 5.184 -9.738 -23.765 921 2HG LYS 124 1HG LYS 124 3.919 -9.140 -22.690 922 1HD LYS 124 2HD LYS 124 5.492 -9.278 -20.780 923 2HD LYS 124 1HD LYS 124 6.758 -9.833 -21.876 924 1HE LYS 124 2HE LYS 124 6.955 -7.762 -22.919 925 2HE LYS 124 1HE LYS 124 5.310 -7.282 -22.500 926 1HZ LYS 124 1HZ LYS 124 5.981 -6.437 -20.569 927 2HZ LYS 124 2HZ LYS 124 7.562 -6.531 -21.185 928 3HZ LYS 124 3HZ LYS 124 6.955 -7.778 -20.205 929 H GLN 125 H GLN 125 0.865 -12.248 -23.492 930 HA GLN 125 HA GLN 125 1.030 -14.825 -22.083 931 1HB GLN 125 2HB GLN 125 0.467 -12.464 -20.635 932 2HB GLN 125 1HB GLN 125 -1.076 -13.295 -20.827 933 1HG GLN 125 2HG GLN 125 1.477 -14.520 -19.742 934 2HG GLN 125 1HG GLN 125 0.060 -14.072 -18.792 935 1HE2 GLN 125 1HE2 GLN 125 1.173 -16.807 -19.106 936 2HE2 GLN 125 2HE2 GLN 125 -0.058 -17.741 -19.808 937 H GLY 126 H GLY 126 0.297 -14.280 -24.738 938 1HA GLY 126 2HA GLY 126 -2.140 -15.659 -25.013 939 2HA GLY 126 1HA GLY 126 -2.540 -13.942 -25.072 940 H LEU 127 H LEU 127 -0.084 -13.104 -26.367 941 HA LEU 127 HA LEU 127 -0.746 -14.030 -29.108 942 1HB LEU 127 2HB LEU 127 -0.411 -11.523 -28.233 943 2HB LEU 127 1HB LEU 127 1.272 -11.886 -28.617 944 HG LEU 127 HG LEU 127 0.382 -12.757 -30.874 945 1HD1 LEU 127 1HD1 LEU 127 -1.834 -10.969 -31.000 946 2HD1 LEU 127 2HD1 LEU 127 -2.071 -12.000 -29.590 947 3HD1 LEU 127 3HD1 LEU 127 -1.846 -12.723 -31.182 948 1HD2 LEU 127 1HD2 LEU 127 -0.007 -9.795 -30.379 949 2HD2 LEU 127 2HD2 LEU 127 0.573 -10.579 -31.849 950 3HD2 LEU 127 3HD2 LEU 127 1.588 -10.550 -30.406 951 H GLU 128 H GLU 128 1.604 -14.525 -26.675 952 HA GLU 128 HA GLU 128 3.190 -16.157 -28.547 953 1HB GLU 128 2HB GLU 128 5.302 -15.000 -27.443 954 2HB GLU 128 1HB GLU 128 4.531 -14.286 -28.861 955 1HG GLU 128 2HG GLU 128 3.182 -12.828 -27.379 956 2HG GLU 128 1HG GLU 128 4.000 -13.516 -25.976 957 H HIS 129 H HIS 129 4.843 -17.463 -27.309 958 HA HIS 129 HA HIS 129 4.674 -17.579 -24.416 959 1HB HIS 129 2HB HIS 129 3.739 -20.042 -24.601 960 2HB HIS 129 1HB HIS 129 2.622 -18.677 -24.553 961 HD2 HIS 129 HD2 HIS 129 0.894 -18.644 -26.709 962 HE1 HIS 129 HE1 HIS 129 3.140 -21.093 -29.316 963 HE2 HIS 129 HE2 HIS 129 0.962 -19.826 -29.033 964 H HIS 130 H HIS 130 6.878 -17.361 -26.022 965 HA HIS 130 HA HIS 130 8.149 -20.039 -25.679 966 1HB HIS 130 2HB HIS 130 9.125 -20.005 -27.799 967 2HB HIS 130 1HB HIS 130 7.546 -19.296 -28.134 968 HD2 HIS 130 HD2 HIS 130 7.689 -16.769 -29.260 969 HE1 HIS 130 HE1 HIS 130 11.721 -15.934 -28.316 970 HE2 HIS 130 HE2 HIS 130 9.663 -15.084 -29.531 971 H HIS 131 H HIS 131 10.067 -19.920 -24.587 972 HA HIS 131 HA HIS 131 11.935 -17.775 -24.763 973 1HB HIS 131 2HB HIS 131 11.576 -16.760 -22.504 974 2HB HIS 131 1HB HIS 131 10.247 -16.438 -23.618 975 HD2 HIS 131 HD2 HIS 131 9.993 -16.862 -20.166 976 HE1 HIS 131 HE1 HIS 131 7.510 -20.048 -21.404 977 HE2 HIS 131 HE2 HIS 131 8.151 -18.565 -19.448 978 H HIS 132 H HIS 132 13.267 -19.684 -24.834 979 HA HIS 132 HA HIS 132 13.424 -21.834 -23.134 980 1HB HIS 132 2HB HIS 132 15.591 -20.137 -24.350 981 2HB HIS 132 1HB HIS 132 16.012 -21.491 -23.301 982 HD2 HIS 132 HD2 HIS 132 15.272 -24.075 -24.344 983 HE1 HIS 132 HE1 HIS 132 14.351 -22.661 -28.217 984 HE2 HIS 132 HE2 HIS 132 14.735 -24.738 -26.810 985 H HIS 133 H HIS 133 15.725 -19.222 -22.421 986 HA HIS 133 HA HIS 133 14.888 -19.420 -19.554 987 1HB HIS 133 2HB HIS 133 17.230 -20.392 -20.427 988 2HB HIS 133 1HB HIS 133 17.705 -18.705 -20.231 989 HD2 HIS 133 HD2 HIS 133 16.295 -17.893 -17.452 990 HE1 HIS 133 HE1 HIS 133 17.942 -21.432 -15.843 991 HE2 HIS 133 HE2 HIS 133 16.911 -19.186 -15.273 992 H HIS 134 HN HIS 134 17.065 -17.347 -19.055 993 HA HIS 134 HA HIS 134 16.348 -14.970 -20.522 994 1HB HIS 134 2HB HIS 134 14.386 -15.679 -18.752 995 2HB HIS 134 1HB HIS 134 15.392 -14.639 -17.744 996 HD2 HIS 134 HD2 HIS 134 13.679 -12.387 -17.909 997 HE1 HIS 134 HE1 HIS 134 13.924 -11.924 -22.100 998 HE2 HIS 134 HE2 HIS 134 13.101 -10.866 -19.946 Start of MODEL 15 1 1H MET 1 1H MET 1 18.497 14.346 -15.101 2 2H MET 1 2H MET 1 16.817 14.117 -15.210 3 3H MET 1 3H MET 1 17.485 14.903 -13.859 4 HA MET 1 HA MET 1 16.600 16.615 -15.165 5 1HB MET 1 2HB MET 1 19.446 16.285 -14.864 6 2HB MET 1 1HB MET 1 19.117 17.153 -16.364 7 1HG MET 1 2HG MET 1 19.275 18.803 -14.620 8 2HG MET 1 1HG MET 1 17.568 18.657 -15.037 9 1HE MET 1 1HE MET 1 15.967 18.917 -13.016 10 2HE MET 1 2HE MET 1 17.349 20.006 -12.920 11 3HE MET 1 3HE MET 1 16.783 19.183 -11.470 12 H ALA 2 H ALA 2 16.425 17.646 -17.317 13 HA ALA 2 HA ALA 2 17.074 15.897 -19.621 14 1HB ALA 2 1HB ALA 2 14.772 15.281 -18.805 15 2HB ALA 2 2HB ALA 2 14.801 15.895 -20.458 16 3HB ALA 2 3HB ALA 2 14.268 16.937 -19.138 17 H TYR 3 H TYR 3 16.401 17.122 -21.720 18 HA TYR 3 HA TYR 3 16.789 20.058 -21.297 19 1HB TYR 3 2HB TYR 3 17.831 18.771 -23.781 20 2HB TYR 3 1HB TYR 3 18.459 20.154 -22.886 21 HD1 TYR 3 HD1 TYR 3 18.523 16.529 -23.270 22 HD2 TYR 3 HD2 TYR 3 19.733 19.803 -20.765 23 HE1 TYR 3 HE1 TYR 3 20.140 15.047 -22.112 24 HE2 TYR 3 HE2 TYR 3 21.349 18.320 -19.609 25 HH TYR 3 HH TYR 3 21.934 15.018 -20.719 26 H SER 4 H SER 4 15.312 21.317 -22.353 27 HA SER 4 HA SER 4 13.664 20.006 -24.480 28 1HB SER 4 2HB SER 4 12.333 20.271 -22.438 29 2HB SER 4 1HB SER 4 12.769 21.975 -22.352 30 HG SER 4 HG SER 4 11.301 22.388 -23.796 31 H GLU 5 H GLU 5 13.381 21.210 -26.342 32 HA GLU 5 HA GLU 5 14.943 23.713 -26.538 33 1HB GLU 5 2HB GLU 5 13.804 21.735 -28.463 34 2HB GLU 5 1HB GLU 5 13.992 23.396 -29.025 35 1HG GLU 5 2HG GLU 5 16.244 21.963 -27.621 36 2HG GLU 5 1HG GLU 5 15.991 21.786 -29.357 37 H LYS 6 H LYS 6 11.821 22.847 -28.028 38 HA LYS 6 HA LYS 6 10.504 25.123 -26.693 39 1HB LYS 6 2HB LYS 6 11.738 25.692 -29.038 40 2HB LYS 6 1HB LYS 6 10.183 25.121 -29.647 41 1HG LYS 6 2HG LYS 6 9.840 27.434 -29.310 42 2HG LYS 6 1HG LYS 6 9.136 26.689 -27.875 43 1HD LYS 6 2HD LYS 6 10.937 27.317 -26.508 44 2HD LYS 6 1HD LYS 6 12.026 27.536 -27.879 45 1HE LYS 6 2HE LYS 6 9.694 29.308 -27.101 46 2HE LYS 6 1HE LYS 6 11.405 29.730 -27.072 47 1HZ LYS 6 1HZ LYS 6 9.594 29.451 -29.355 48 2HZ LYS 6 2HZ LYS 6 11.224 29.032 -29.580 49 3HZ LYS 6 3HZ LYS 6 10.809 30.600 -29.073 50 H VAL 7 H VAL 7 10.083 22.890 -29.465 51 HA VAL 7 HA VAL 7 7.269 22.467 -28.689 52 HB VAL 7 HB VAL 7 7.283 20.944 -30.712 53 1HG1 VAL 7 1HG1 VAL 7 7.481 22.813 -32.331 54 2HG1 VAL 7 2HG1 VAL 7 8.276 23.786 -31.094 55 3HG1 VAL 7 3HG1 VAL 7 6.594 23.296 -30.886 56 1HG2 VAL 7 1HG2 VAL 7 10.053 21.082 -30.327 57 2HG2 VAL 7 2HG2 VAL 7 9.763 22.057 -31.767 58 3HG2 VAL 7 3HG2 VAL 7 9.227 20.377 -31.717 59 H ILE 8 H ILE 8 6.467 20.213 -28.375 60 HA ILE 8 HA ILE 8 7.539 18.807 -26.302 61 HB ILE 8 HB ILE 8 6.466 17.362 -28.738 62 1HG1 ILE 8 2HG1 ILE 8 4.994 19.254 -28.290 63 2HG1 ILE 8 1HG1 ILE 8 4.216 17.780 -27.713 64 1HG2 ILE 8 1HG2 ILE 8 6.765 16.790 -25.815 65 2HG2 ILE 8 2HG2 ILE 8 6.992 15.716 -27.196 66 3HG2 ILE 8 3HG2 ILE 8 5.363 16.125 -26.655 67 1HD1 ILE 8 1HD1 ILE 8 5.617 19.903 -26.080 68 2HD1 ILE 8 2HD1 ILE 8 5.250 18.306 -25.429 69 3HD1 ILE 8 3HD1 ILE 8 3.942 19.365 -25.954 70 H ASP 9 H ASP 9 9.183 17.276 -25.969 71 HA ASP 9 HA ASP 9 11.203 17.135 -28.151 72 1HB ASP 9 2HB ASP 9 11.630 17.850 -25.627 73 2HB ASP 9 1HB ASP 9 11.731 16.104 -25.390 74 H HIS 10 H HIS 10 12.320 15.021 -28.452 75 HA HIS 10 HA HIS 10 10.378 12.774 -28.137 76 1HB HIS 10 2HB HIS 10 12.321 13.561 -30.241 77 2HB HIS 10 1HB HIS 10 12.193 11.832 -29.917 78 HD2 HIS 10 HD2 HIS 10 10.239 10.755 -31.528 79 HE1 HIS 10 HE1 HIS 10 7.647 14.086 -31.672 80 HE2 HIS 10 HE2 HIS 10 7.992 11.698 -32.455 81 H TYR 11 H TYR 11 11.058 10.864 -27.141 82 HA TYR 11 HA TYR 11 13.531 11.073 -25.547 83 1HB TYR 11 2HB TYR 11 12.359 8.542 -25.146 84 2HB TYR 11 1HB TYR 11 12.226 9.950 -24.093 85 HD1 TYR 11 HD1 TYR 11 10.386 11.664 -24.585 86 HD2 TYR 11 HD2 TYR 11 10.484 7.747 -26.346 87 HE1 TYR 11 HE1 TYR 11 7.976 11.853 -25.140 88 HE2 TYR 11 HE2 TYR 11 8.074 7.936 -26.900 89 HH TYR 11 HH TYR 11 6.187 10.801 -25.935 90 H GLU 12 H GLU 12 12.518 9.695 -28.512 91 HA GLU 12 HA GLU 12 13.659 8.353 -30.060 92 1HB GLU 12 2HB GLU 12 16.064 8.679 -28.247 93 2HB GLU 12 1HB GLU 12 16.059 8.332 -29.976 94 1HG GLU 12 2HG GLU 12 15.471 10.509 -30.552 95 2HG GLU 12 1HG GLU 12 14.721 10.830 -28.988 96 H ASN 13 H ASN 13 16.090 6.882 -28.441 97 HA ASN 13 HA ASN 13 14.669 4.361 -28.280 98 1HB ASN 13 2HB ASN 13 17.252 4.545 -26.871 99 2HB ASN 13 1HB ASN 13 16.747 3.447 -28.157 100 1HD2 ASN 13 1HD2 ASN 13 16.242 4.968 -30.323 101 2HD2 ASN 13 2HD2 ASN 13 17.557 5.960 -30.734 102 HA PRO 14 HA PRO 14 13.270 4.714 -24.088 103 1HB PRO 14 2HB PRO 14 12.914 2.076 -23.505 104 2HB PRO 14 1HB PRO 14 11.840 2.975 -24.594 105 1HG PRO 14 2HG PRO 14 14.043 1.085 -25.242 106 2HG PRO 14 1HG PRO 14 12.468 1.299 -26.026 107 1HD PRO 14 2HD PRO 14 14.821 2.326 -27.029 108 2HD PRO 14 1HD PRO 14 13.218 3.020 -27.359 109 H ARG 15 H ARG 15 16.329 3.851 -24.819 110 HA ARG 15 HA ARG 15 17.439 2.297 -22.826 111 1HB ARG 15 2HB ARG 15 19.473 3.540 -23.072 112 2HB ARG 15 1HB ARG 15 18.669 3.594 -24.643 113 1HG ARG 15 2HG ARG 15 17.685 5.808 -24.005 114 2HG ARG 15 1HG ARG 15 18.644 5.763 -22.525 115 1HD ARG 15 2HD ARG 15 19.738 5.698 -25.353 116 2HD ARG 15 1HD ARG 15 19.811 7.070 -24.247 117 HE ARG 15 HE ARG 15 21.037 5.035 -22.833 118 1HH1 ARG 15 1HH2 ARG 15 21.359 6.441 -25.963 119 2HH1 ARG 15 2HH2 ARG 15 23.062 6.139 -26.071 120 1HH2 ARG 15 2HH1 ARG 15 23.258 4.630 -22.955 121 2HH2 ARG 15 1HH1 ARG 15 24.137 5.113 -24.366 122 H ASN 16 H ASN 16 15.592 5.117 -22.343 123 HA ASN 16 HA ASN 16 16.766 6.110 -19.928 124 1HB ASN 16 2HB ASN 16 14.003 6.256 -21.124 125 2HB ASN 16 1HB ASN 16 14.329 6.921 -19.522 126 1HD2 ASN 16 1HD2 ASN 16 15.732 7.027 -22.852 127 2HD2 ASN 16 2HD2 ASN 16 16.185 8.661 -22.762 128 H VAL 17 H VAL 17 17.288 4.200 -18.696 129 HA VAL 17 HA VAL 17 15.816 2.029 -17.962 130 HB VAL 17 HB VAL 17 16.722 2.413 -15.567 131 1HG1 VAL 17 1HG1 VAL 17 18.366 1.142 -16.431 132 2HG1 VAL 17 2HG1 VAL 17 19.153 2.597 -17.040 133 3HG1 VAL 17 3HG1 VAL 17 17.994 1.732 -18.049 134 1HG2 VAL 17 1HG2 VAL 17 18.459 4.510 -16.786 135 2HG2 VAL 17 2HG2 VAL 17 17.957 4.304 -15.108 136 3HG2 VAL 17 3HG2 VAL 17 16.842 5.002 -16.284 137 H GLY 18 H GLY 18 13.713 1.810 -17.394 138 1HA GLY 18 2HA GLY 18 12.574 3.409 -15.236 139 2HA GLY 18 1HA GLY 18 11.865 3.774 -16.810 140 H SER 19 H SER 19 9.988 2.835 -15.312 141 HA SER 19 HA SER 19 8.353 1.129 -15.326 142 1HB SER 19 2HB SER 19 8.443 -0.395 -17.016 143 2HB SER 19 1HB SER 19 9.848 0.525 -17.549 144 HG SER 19 HG SER 19 9.941 -1.633 -15.705 145 H LEU 20 H LEU 20 8.275 -1.327 -14.520 146 HA LEU 20 HA LEU 20 10.038 -1.409 -12.129 147 1HB LEU 20 2HB LEU 20 7.291 -2.147 -12.689 148 2HB LEU 20 1HB LEU 20 8.171 -3.515 -12.007 149 HG LEU 20 HG LEU 20 8.279 -0.744 -10.800 150 1HD1 LEU 20 1HD1 LEU 20 6.624 -1.568 -9.158 151 2HD1 LEU 20 2HD1 LEU 20 6.470 -3.069 -10.071 152 3HD1 LEU 20 3HD1 LEU 20 5.946 -1.544 -10.785 153 1HD2 LEU 20 1HD2 LEU 20 9.844 -2.977 -10.401 154 2HD2 LEU 20 2HD2 LEU 20 8.616 -3.160 -9.148 155 3HD2 LEU 20 3HD2 LEU 20 9.598 -1.697 -9.212 156 H ASP 21 H ASP 21 8.858 -3.576 -14.717 157 HA ASP 21 HA ASP 21 9.763 -5.603 -15.503 158 1HB ASP 21 2HB ASP 21 11.501 -3.609 -16.006 159 2HB ASP 21 1HB ASP 21 12.516 -4.606 -14.963 160 H LYS 22 H LYS 22 9.256 -5.439 -12.605 161 HA LYS 22 HA LYS 22 11.246 -6.386 -10.921 162 1HB LYS 22 2HB LYS 22 9.000 -6.027 -10.086 163 2HB LYS 22 1HB LYS 22 8.364 -7.304 -11.122 164 1HG LYS 22 2HG LYS 22 8.695 -8.045 -8.755 165 2HG LYS 22 1HG LYS 22 9.638 -8.988 -9.910 166 1HD LYS 22 2HD LYS 22 11.653 -8.013 -9.269 167 2HD LYS 22 1HD LYS 22 10.871 -6.555 -8.657 168 1HE LYS 22 2HE LYS 22 11.782 -8.196 -6.900 169 2HE LYS 22 1HE LYS 22 10.116 -7.655 -6.691 170 1HZ LYS 22 1HZ LYS 22 9.669 -9.828 -6.591 171 2HZ LYS 22 2HZ LYS 22 11.139 -10.279 -7.314 172 3HZ LYS 22 3HZ LYS 22 9.826 -9.804 -8.280 173 H LYS 23 H LYS 23 9.347 -8.301 -13.255 174 HA LYS 23 HA LYS 23 11.574 -10.211 -13.454 175 1HB LYS 23 2HB LYS 23 9.576 -10.755 -11.606 176 2HB LYS 23 1HB LYS 23 9.062 -11.657 -13.032 177 1HG LYS 23 2HG LYS 23 11.360 -12.637 -13.183 178 2HG LYS 23 1HG LYS 23 11.764 -11.828 -11.669 179 1HD LYS 23 2HD LYS 23 9.424 -13.078 -10.995 180 2HD LYS 23 1HD LYS 23 10.116 -14.231 -12.135 181 1HE LYS 23 2HE LYS 23 12.320 -13.878 -10.787 182 2HE LYS 23 1HE LYS 23 11.255 -13.243 -9.532 183 1HZ LYS 23 1HZ LYS 23 11.823 -15.874 -9.988 184 2HZ LYS 23 2HZ LYS 23 10.270 -15.678 -10.651 185 3HZ LYS 23 3HZ LYS 23 10.561 -15.276 -9.026 186 H ASP 24 H ASP 24 9.576 -8.328 -15.017 187 HA ASP 24 HA ASP 24 8.518 -8.352 -17.119 188 1HB ASP 24 2HB ASP 24 10.188 -10.650 -17.993 189 2HB ASP 24 1HB ASP 24 9.932 -9.086 -18.767 190 H SER 25 H SER 25 7.415 -9.911 -18.766 191 HA SER 25 HA SER 25 5.759 -11.537 -19.117 192 1HB SER 25 2HB SER 25 6.866 -13.494 -18.951 193 2HB SER 25 1HB SER 25 7.954 -12.823 -17.737 194 HG SER 25 HG SER 25 6.523 -13.392 -16.155 195 H ASN 26 H ASN 26 6.192 -9.939 -16.227 196 HA ASN 26 HA ASN 26 3.438 -10.632 -15.382 197 1HB ASN 26 2HB ASN 26 4.030 -11.152 -13.133 198 2HB ASN 26 1HB ASN 26 5.143 -12.087 -14.131 199 1HD2 ASN 26 1HD2 ASN 26 5.091 -10.110 -11.446 200 2HD2 ASN 26 2HD2 ASN 26 6.684 -9.526 -11.503 201 H VAL 27 H VAL 27 5.333 -8.305 -16.366 202 HA VAL 27 HA VAL 27 4.232 -6.324 -14.415 203 HB VAL 27 HB VAL 27 6.861 -5.948 -15.854 204 1HG1 VAL 27 1HG1 VAL 27 6.200 -3.885 -15.013 205 2HG1 VAL 27 2HG1 VAL 27 7.102 -4.525 -13.639 206 3HG1 VAL 27 3HG1 VAL 27 5.340 -4.600 -13.649 207 1HG2 VAL 27 1HG2 VAL 27 7.512 -6.497 -13.235 208 2HG2 VAL 27 2HG2 VAL 27 7.655 -7.645 -14.567 209 3HG2 VAL 27 3HG2 VAL 27 6.220 -7.658 -13.543 210 H GLY 28 H GLY 28 2.550 -5.540 -15.664 211 1HA GLY 28 2HA GLY 28 2.987 -4.958 -18.522 212 2HA GLY 28 1HA GLY 28 1.468 -4.761 -17.645 213 H THR 29 H THR 29 3.581 -2.963 -19.261 214 HA THR 29 HA THR 29 3.649 -0.734 -17.282 215 HB THR 29 HB THR 29 4.977 -0.438 -19.924 216 HG1 THR 29 HG1 THR 29 5.284 -2.645 -18.512 217 1HG2 THR 29 1HG2 THR 29 5.929 0.011 -17.082 218 2HG2 THR 29 2HG2 THR 29 5.095 1.224 -18.054 219 3HG2 THR 29 3HG2 THR 29 6.677 0.628 -18.556 220 H GLY 30 H GLY 30 2.882 1.366 -17.932 221 1HA GLY 30 2HA GLY 30 1.122 1.359 -20.346 222 2HA GLY 30 1HA GLY 30 0.524 1.967 -18.802 223 H MET 31 H MET 31 1.839 2.950 -21.677 224 HA MET 31 HA MET 31 2.857 5.466 -20.421 225 1HB MET 31 2HB MET 31 4.385 3.642 -21.871 226 2HB MET 31 1HB MET 31 3.992 4.894 -23.051 227 1HG MET 31 2HG MET 31 5.920 5.770 -22.066 228 2HG MET 31 1HG MET 31 4.653 6.537 -21.109 229 1HE MET 31 1HE MET 31 6.845 6.967 -19.750 230 2HE MET 31 2HE MET 31 7.939 5.735 -20.374 231 3HE MET 31 3HE MET 31 7.594 5.804 -18.648 232 H VAL 32 H VAL 32 0.935 6.624 -20.782 233 HA VAL 32 HA VAL 32 0.308 7.124 -23.658 234 HB VAL 32 HB VAL 32 -2.047 7.072 -23.230 235 1HG1 VAL 32 1HG1 VAL 32 -1.235 4.750 -21.535 236 2HG1 VAL 32 2HG1 VAL 32 -0.569 4.844 -23.165 237 3HG1 VAL 32 3HG1 VAL 32 -2.316 4.798 -22.927 238 1HG2 VAL 32 1HG2 VAL 32 -2.502 6.298 -20.641 239 2HG2 VAL 32 2HG2 VAL 32 -2.611 7.963 -21.209 240 3HG2 VAL 32 3HG2 VAL 32 -1.132 7.389 -20.439 241 H GLY 33 H GLY 33 -0.242 9.286 -24.127 242 1HA GLY 33 2HA GLY 33 -0.324 11.193 -21.845 243 2HA GLY 33 1HA GLY 33 0.871 11.452 -23.116 244 H ALA 34 H ALA 34 -0.755 13.517 -22.901 245 HA ALA 34 HA ALA 34 -2.675 13.170 -25.164 246 1HB ALA 34 1HB ALA 34 -4.402 14.176 -24.034 247 2HB ALA 34 2HB ALA 34 -3.323 15.185 -23.071 248 3HB ALA 34 3HB ALA 34 -3.564 13.491 -22.642 249 HA PRO 35 HA PRO 35 0.526 16.465 -26.007 250 1HB PRO 35 2HB PRO 35 -0.092 15.539 -28.761 251 2HB PRO 35 1HB PRO 35 1.480 15.791 -27.982 252 1HG PRO 35 2HG PRO 35 0.504 13.344 -28.455 253 2HG PRO 35 1HG PRO 35 1.500 13.710 -27.037 254 1HD PRO 35 2HD PRO 35 -1.450 13.261 -27.199 255 2HD PRO 35 1HD PRO 35 -0.318 12.880 -25.881 256 H ALA 36 H ALA 36 -2.765 15.997 -26.636 257 HA ALA 36 HA ALA 36 -3.253 18.162 -28.476 258 1HB ALA 36 1HB ALA 36 -5.069 16.715 -28.343 259 2HB ALA 36 2HB ALA 36 -5.608 18.012 -27.276 260 3HB ALA 36 3HB ALA 36 -4.927 16.535 -26.594 261 H CYS 37 H CYS 37 -2.273 18.130 -25.228 262 HA CYS 37 HA CYS 37 -2.694 21.043 -25.056 263 1HB CYS 37 2HB CYS 37 -4.277 19.079 -23.548 264 2HB CYS 37 1HB CYS 37 -3.485 20.275 -22.523 265 HG CYS 37 HG CYS 37 -5.438 21.676 -23.198 266 H GLY 38 H GLY 38 -1.478 18.079 -23.521 267 1HA GLY 38 2HA GLY 38 1.074 18.267 -23.167 268 2HA GLY 38 1HA GLY 38 0.671 19.717 -22.247 269 H ASP 39 H ASP 39 -0.175 16.243 -22.385 270 HA ASP 39 HA ASP 39 -0.069 16.228 -19.406 271 1HB ASP 39 2HB ASP 39 -2.465 16.317 -20.524 272 2HB ASP 39 1HB ASP 39 -2.162 14.603 -20.809 273 H VAL 40 H VAL 40 0.682 14.265 -18.529 274 HA VAL 40 HA VAL 40 1.330 12.080 -20.445 275 HB VAL 40 HB VAL 40 3.345 12.981 -18.391 276 1HG1 VAL 40 1HG1 VAL 40 3.590 11.506 -21.031 277 2HG1 VAL 40 2HG1 VAL 40 3.544 10.735 -19.446 278 3HG1 VAL 40 3HG1 VAL 40 4.890 11.792 -19.874 279 1HG2 VAL 40 1HG2 VAL 40 2.774 14.116 -21.115 280 2HG2 VAL 40 2HG2 VAL 40 4.440 14.035 -20.543 281 3HG2 VAL 40 3HG2 VAL 40 3.241 14.956 -19.636 282 H MET 41 H MET 41 0.388 10.288 -19.589 283 HA MET 41 HA MET 41 0.382 10.022 -16.607 284 1HB MET 41 2HB MET 41 -1.890 10.222 -17.143 285 2HB MET 41 1HB MET 41 -1.706 9.354 -18.667 286 1HG MET 41 2HG MET 41 -1.722 7.276 -17.647 287 2HG MET 41 1HG MET 41 -1.074 7.900 -16.131 288 1HE MET 41 1HE MET 41 -4.184 6.898 -14.409 289 2HE MET 41 2HE MET 41 -2.437 7.129 -14.388 290 3HE MET 41 3HE MET 41 -3.151 5.964 -15.500 291 H GLN 42 H GLN 42 1.673 8.390 -15.944 292 HA GLN 42 HA GLN 42 2.133 6.107 -17.821 293 1HB GLN 42 2HB GLN 42 4.252 7.045 -17.476 294 2HB GLN 42 1HB GLN 42 3.897 7.475 -15.803 295 1HG GLN 42 2HG GLN 42 4.344 5.357 -15.017 296 2HG GLN 42 1HG GLN 42 3.827 4.579 -16.513 297 1HE2 GLN 42 1HE2 GLN 42 6.154 7.277 -16.360 298 2HE2 GLN 42 2HE2 GLN 42 7.484 6.379 -16.914 299 H LEU 43 H LEU 43 1.833 4.007 -17.006 300 HA LEU 43 HA LEU 43 1.223 3.670 -14.135 301 1HB LEU 43 2HB LEU 43 -0.949 4.282 -15.107 302 2HB LEU 43 1HB LEU 43 -0.778 3.012 -16.318 303 HG LEU 43 HG LEU 43 -0.358 1.926 -13.668 304 1HD1 LEU 43 1HD1 LEU 43 -1.832 3.830 -13.010 305 2HD1 LEU 43 2HD1 LEU 43 -2.602 2.262 -12.763 306 3HD1 LEU 43 3HD1 LEU 43 -3.043 3.252 -14.153 307 1HD2 LEU 43 1HD2 LEU 43 -1.072 0.854 -15.927 308 2HD2 LEU 43 2HD2 LEU 43 -2.695 1.398 -15.504 309 3HD2 LEU 43 3HD2 LEU 43 -1.844 0.265 -14.455 310 H GLN 44 H GLN 44 1.408 1.487 -13.457 311 HA GLN 44 HA GLN 44 1.987 -0.584 -15.479 312 1HB GLN 44 2HB GLN 44 4.133 -1.163 -14.175 313 2HB GLN 44 1HB GLN 44 4.205 0.237 -15.247 314 1HG GLN 44 2HG GLN 44 3.676 1.702 -13.287 315 2HG GLN 44 1HG GLN 44 3.779 0.280 -12.248 316 1HE2 GLN 44 1HE2 GLN 44 5.590 2.869 -13.044 317 2HE2 GLN 44 2HE2 GLN 44 7.146 2.192 -13.000 318 H ILE 45 H ILE 45 0.941 -2.384 -14.781 319 HA ILE 45 HA ILE 45 0.372 -2.619 -11.859 320 HB ILE 45 HB ILE 45 -1.279 -4.432 -12.840 321 1HG1 ILE 45 2HG1 ILE 45 -1.408 -2.603 -15.182 322 2HG1 ILE 45 1HG1 ILE 45 -0.083 -3.768 -15.176 323 1HG2 ILE 45 1HG2 ILE 45 -2.365 -2.688 -11.794 324 2HG2 ILE 45 2HG2 ILE 45 -2.811 -2.325 -13.461 325 3HG2 ILE 45 3HG2 ILE 45 -1.479 -1.457 -12.695 326 1HD1 ILE 45 1HD1 ILE 45 -3.047 -4.352 -14.989 327 2HD1 ILE 45 2HD1 ILE 45 -1.805 -5.561 -14.665 328 3HD1 ILE 45 3HD1 ILE 45 -1.935 -4.840 -16.269 329 H LYS 46 H LYS 46 0.728 -4.662 -10.819 330 HA LYS 46 HA LYS 46 2.665 -6.405 -12.287 331 1HB LYS 46 2HB LYS 46 3.414 -5.141 -10.168 332 2HB LYS 46 1HB LYS 46 2.375 -6.260 -9.286 333 1HG LYS 46 2HG LYS 46 3.656 -8.094 -10.674 334 2HG LYS 46 1HG LYS 46 4.875 -6.833 -10.848 335 1HD LYS 46 2HD LYS 46 5.246 -6.705 -8.517 336 2HD LYS 46 1HD LYS 46 3.734 -7.534 -8.143 337 1HE LYS 46 2HE LYS 46 6.007 -8.855 -9.640 338 2HE LYS 46 1HE LYS 46 5.828 -8.950 -7.888 339 1HZ LYS 46 1HZ LYS 46 3.469 -9.729 -8.414 340 2HZ LYS 46 2HZ LYS 46 4.741 -10.828 -8.664 341 3HZ LYS 46 3HZ LYS 46 4.045 -10.016 -9.984 342 H VAL 47 H VAL 47 2.418 -8.686 -12.071 343 HA VAL 47 HA VAL 47 -0.204 -9.559 -10.924 344 HB VAL 47 HB VAL 47 1.115 -10.720 -13.394 345 1HG1 VAL 47 1HG1 VAL 47 -0.776 -11.804 -11.720 346 2HG1 VAL 47 2HG1 VAL 47 -0.603 -12.210 -13.427 347 3HG1 VAL 47 3HG1 VAL 47 -1.783 -11.000 -12.925 348 1HG2 VAL 47 1HG2 VAL 47 -1.391 -9.079 -13.492 349 2HG2 VAL 47 2HG2 VAL 47 -0.173 -9.337 -14.742 350 3HG2 VAL 47 3HG2 VAL 47 0.157 -8.237 -13.403 351 H ASP 48 H ASP 48 -0.154 -11.552 -9.812 352 HA ASP 48 HA ASP 48 2.524 -12.419 -8.969 353 1HB ASP 48 2HB ASP 48 1.244 -13.923 -7.433 354 2HB ASP 48 1HB ASP 48 0.795 -12.225 -7.264 355 H ASP 49 H ASP 49 0.304 -14.963 -8.944 356 HA ASP 49 HA ASP 49 1.428 -16.100 -11.468 357 1HB ASP 49 2HB ASP 49 2.536 -16.945 -9.298 358 2HB ASP 49 1HB ASP 49 1.000 -17.753 -8.976 359 H ASN 50 H ASN 50 -1.238 -15.757 -9.261 360 HA ASN 50 HA ASN 50 -2.884 -17.718 -10.743 361 1HB ASN 50 2HB ASN 50 -3.903 -15.884 -8.580 362 2HB ASN 50 1HB ASN 50 -4.466 -17.497 -9.016 363 1HD2 ASN 50 1HD2 ASN 50 -2.522 -15.810 -6.797 364 2HD2 ASN 50 2HD2 ASN 50 -1.633 -17.127 -6.200 365 H GLY 51 H GLY 51 -1.959 -14.573 -11.203 366 1HA GLY 51 2HA GLY 51 -2.770 -13.195 -12.995 367 2HA GLY 51 1HA GLY 51 -4.295 -14.082 -12.954 368 H ILE 52 H ILE 52 -2.809 -12.854 -10.025 369 HA ILE 52 HA ILE 52 -5.092 -10.941 -9.785 370 HB ILE 52 HB ILE 52 -3.356 -12.106 -7.587 371 1HG1 ILE 52 2HG1 ILE 52 -4.706 -13.848 -8.702 372 2HG1 ILE 52 1HG1 ILE 52 -5.317 -13.523 -7.080 373 1HG2 ILE 52 1HG2 ILE 52 -5.893 -10.448 -7.591 374 2HG2 ILE 52 2HG2 ILE 52 -4.323 -9.997 -6.924 375 3HG2 ILE 52 3HG2 ILE 52 -5.271 -11.275 -6.162 376 1HD1 ILE 52 1HD1 ILE 52 -6.585 -13.039 -9.704 377 2HD1 ILE 52 2HD1 ILE 52 -6.744 -11.712 -8.555 378 3HD1 ILE 52 3HD1 ILE 52 -7.327 -13.320 -8.130 379 H ILE 53 H ILE 53 -4.571 -8.875 -8.651 380 HA ILE 53 HA ILE 53 -1.864 -7.932 -9.460 381 HB ILE 53 HB ILE 53 -4.502 -6.569 -8.966 382 1HG1 ILE 53 2HG1 ILE 53 -2.527 -5.965 -11.145 383 2HG1 ILE 53 1HG1 ILE 53 -3.478 -7.448 -11.239 384 1HG2 ILE 53 1HG2 ILE 53 -3.050 -5.196 -7.670 385 2HG2 ILE 53 2HG2 ILE 53 -3.160 -4.400 -9.240 386 3HG2 ILE 53 3HG2 ILE 53 -1.736 -5.357 -8.834 387 1HD1 ILE 53 1HD1 ILE 53 -4.782 -4.779 -10.709 388 2HD1 ILE 53 2HD1 ILE 53 -5.529 -6.267 -11.290 389 3HD1 ILE 53 3HD1 ILE 53 -4.470 -5.339 -12.352 390 H GLU 54 H GLU 54 -0.462 -8.278 -7.776 391 HA GLU 54 HA GLU 54 -1.367 -7.967 -4.995 392 1HB GLU 54 2HB GLU 54 1.194 -8.822 -6.323 393 2HB GLU 54 1HB GLU 54 1.179 -8.411 -4.607 394 1HG GLU 54 2HG GLU 54 -0.861 -10.318 -5.736 395 2HG GLU 54 1HG GLU 54 0.748 -10.888 -5.289 396 H ASP 55 H ASP 55 0.677 -6.228 -7.315 397 HA ASP 55 HA ASP 55 0.625 -3.915 -5.432 398 1HB ASP 55 2HB ASP 55 3.022 -5.102 -6.835 399 2HB ASP 55 1HB ASP 55 3.004 -3.423 -6.295 400 H ALA 56 H ALA 56 0.980 -1.833 -6.556 401 HA ALA 56 HA ALA 56 0.738 -1.854 -9.495 402 1HB ALA 56 1HB ALA 56 -1.554 -1.893 -9.247 403 2HB ALA 56 2HB ALA 56 -1.290 -0.160 -9.051 404 3HB ALA 56 3HB ALA 56 -1.496 -1.186 -7.632 405 H LYS 57 H LYS 57 2.306 -0.400 -10.002 406 HA LYS 57 HA LYS 57 2.610 2.014 -8.268 407 1HB LYS 57 2HB LYS 57 4.580 0.405 -8.700 408 2HB LYS 57 1HB LYS 57 4.591 1.057 -10.340 409 1HG LYS 57 2HG LYS 57 4.461 3.347 -8.821 410 2HG LYS 57 1HG LYS 57 5.475 2.302 -7.824 411 1HD LYS 57 2HD LYS 57 6.942 1.871 -9.759 412 2HD LYS 57 1HD LYS 57 5.932 2.917 -10.758 413 1HE LYS 57 2HE LYS 57 6.549 4.857 -9.556 414 2HE LYS 57 1HE LYS 57 7.175 3.920 -8.199 415 1HZ LYS 57 1HZ LYS 57 9.128 4.308 -9.212 416 2HZ LYS 57 2HZ LYS 57 8.424 4.579 -10.734 417 3HZ LYS 57 3HZ LYS 57 8.681 2.992 -10.184 418 H PHE 58 H PHE 58 2.624 4.082 -9.249 419 HA PHE 58 HA PHE 58 2.068 4.193 -12.171 420 1HB PHE 58 2HB PHE 58 0.139 5.588 -11.889 421 2HB PHE 58 1HB PHE 58 -0.096 4.203 -10.822 422 HD1 PHE 58 HD1 PHE 58 -0.355 7.666 -10.978 423 HD2 PHE 58 HD2 PHE 58 1.132 4.560 -8.410 424 HE1 PHE 58 HE1 PHE 58 -0.524 9.195 -9.032 425 HE2 PHE 58 HE2 PHE 58 0.965 6.089 -6.465 426 HZ PHE 58 HZ PHE 58 0.137 8.405 -6.775 427 H LYS 59 H LYS 59 1.804 6.811 -12.608 428 HA LYS 59 HA LYS 59 3.485 8.512 -10.992 429 1HB LYS 59 2HB LYS 59 4.971 6.763 -12.469 430 2HB LYS 59 1HB LYS 59 4.821 8.108 -13.601 431 1HG LYS 59 2HG LYS 59 5.410 9.532 -11.426 432 2HG LYS 59 1HG LYS 59 6.164 8.017 -10.931 433 1HD LYS 59 2HD LYS 59 7.550 7.976 -12.909 434 2HD LYS 59 1HD LYS 59 6.684 9.349 -13.602 435 1HE LYS 59 2HE LYS 59 7.442 10.432 -11.239 436 2HE LYS 59 1HE LYS 59 8.771 9.299 -11.490 437 1HZ LYS 59 1HZ LYS 59 9.625 10.758 -12.899 438 2HZ LYS 59 2HZ LYS 59 8.254 11.757 -12.796 439 3HZ LYS 59 3HZ LYS 59 8.307 10.496 -13.934 440 H THR 60 H THR 60 2.190 10.280 -11.300 441 HA THR 60 HA THR 60 1.589 11.048 -14.129 442 HB THR 60 HB THR 60 -0.552 10.675 -13.330 443 HG1 THR 60 HG1 THR 60 -1.323 12.628 -13.293 444 1HG2 THR 60 1HG2 THR 60 -1.078 11.355 -10.853 445 2HG2 THR 60 2HG2 THR 60 0.674 11.292 -10.659 446 3HG2 THR 60 3HG2 THR 60 -0.209 9.854 -11.173 447 H TYR 61 H TYR 61 3.083 12.639 -14.547 448 HA TYR 61 HA TYR 61 3.160 14.929 -12.634 449 1HB TYR 61 2HB TYR 61 5.235 13.275 -12.704 450 2HB TYR 61 1HB TYR 61 5.634 14.195 -14.156 451 HD1 TYR 61 HD1 TYR 61 5.430 16.825 -13.911 452 HD2 TYR 61 HD2 TYR 61 5.937 14.097 -10.632 453 HE1 TYR 61 HE1 TYR 61 6.293 18.676 -12.504 454 HE2 TYR 61 HE2 TYR 61 6.800 15.947 -9.225 455 HH TYR 61 HH TYR 61 8.033 18.365 -9.922 456 H GLY 62 H GLY 62 2.560 16.755 -13.680 457 1HA GLY 62 2HA GLY 62 3.574 17.949 -15.908 458 2HA GLY 62 1HA GLY 62 2.440 16.795 -16.614 459 H CYS 63 H CYS 63 0.454 16.908 -14.571 460 HA CYS 63 HA CYS 63 -0.542 19.702 -14.977 461 1HB CYS 63 2HB CYS 63 -1.769 17.087 -15.389 462 2HB CYS 63 1HB CYS 63 -2.734 18.099 -14.316 463 HG CYS 63 HG CYS 63 -2.771 19.942 -16.198 464 H GLY 64 H GLY 64 -1.244 20.823 -13.165 465 1HA GLY 64 2HA GLY 64 -0.676 19.537 -10.552 466 2HA GLY 64 1HA GLY 64 -0.880 21.268 -10.822 467 H SER 65 H SER 65 -2.841 18.307 -11.329 468 HA SER 65 HA SER 65 -4.893 19.104 -9.496 469 1HB SER 65 2HB SER 65 -6.624 19.473 -11.438 470 2HB SER 65 1HB SER 65 -5.620 20.818 -10.907 471 HG SER 65 HG SER 65 -5.775 19.757 -13.314 472 H ALA 66 H ALA 66 -4.747 17.597 -12.751 473 HA ALA 66 HA ALA 66 -6.573 15.512 -12.244 474 1HB ALA 66 1HB ALA 66 -4.126 15.605 -14.024 475 2HB ALA 66 2HB ALA 66 -5.807 15.860 -14.492 476 3HB ALA 66 3HB ALA 66 -5.257 14.252 -14.020 477 H ILE 67 H ILE 67 -3.787 16.096 -10.553 478 HA ILE 67 HA ILE 67 -2.681 13.464 -10.248 479 HB ILE 67 HB ILE 67 -2.679 15.535 -8.057 480 1HG1 ILE 67 2HG1 ILE 67 -1.146 15.571 -10.673 481 2HG1 ILE 67 1HG1 ILE 67 -2.227 16.819 -10.052 482 1HG2 ILE 67 1HG2 ILE 67 -0.173 14.256 -8.805 483 2HG2 ILE 67 2HG2 ILE 67 -1.420 13.063 -8.446 484 3HG2 ILE 67 3HG2 ILE 67 -0.990 14.278 -7.243 485 1HD1 ILE 67 1HD1 ILE 67 0.591 16.416 -9.511 486 2HD1 ILE 67 2HD1 ILE 67 -0.339 16.397 -8.012 487 3HD1 ILE 67 3HD1 ILE 67 -0.435 17.787 -9.093 488 H ALA 68 H ALA 68 -5.674 14.713 -9.326 489 HA ALA 68 HA ALA 68 -5.964 13.138 -6.869 490 1HB ALA 68 1HB ALA 68 -7.369 14.962 -6.726 491 2HB ALA 68 2HB ALA 68 -8.494 13.811 -7.446 492 3HB ALA 68 3HB ALA 68 -7.673 14.996 -8.463 493 H SER 69 H SER 69 -7.318 13.007 -10.180 494 HA SER 69 HA SER 69 -8.821 10.639 -9.898 495 1HB SER 69 2HB SER 69 -9.193 11.073 -12.076 496 2HB SER 69 1HB SER 69 -7.916 12.286 -12.041 497 HG SER 69 HG SER 69 -6.431 10.671 -12.536 498 H SER 70 H SER 70 -5.428 10.954 -11.005 499 HA SER 70 HA SER 70 -4.743 8.301 -11.366 500 1HB SER 70 2HB SER 70 -2.583 9.279 -9.903 501 2HB SER 70 1HB SER 70 -2.796 9.410 -11.646 502 HG SER 70 HG SER 70 -3.489 11.262 -9.619 503 H SER 71 H SER 71 -4.528 9.997 -8.213 504 HA SER 71 HA SER 71 -3.898 7.757 -6.632 505 1HB SER 71 2HB SER 71 -4.237 10.322 -6.033 506 2HB SER 71 1HB SER 71 -5.845 9.773 -5.572 507 HG SER 71 HG SER 71 -3.709 9.627 -4.130 508 H LEU 72 H LEU 72 -6.979 8.739 -8.010 509 HA LEU 72 HA LEU 72 -8.605 6.954 -6.420 510 1HB LEU 72 2HB LEU 72 -9.468 8.935 -7.723 511 2HB LEU 72 1HB LEU 72 -9.202 8.007 -9.199 512 HG LEU 72 HG LEU 72 -10.612 6.165 -7.981 513 1HD1 LEU 72 1HD1 LEU 72 -10.707 7.251 -5.800 514 2HD1 LEU 72 2HD1 LEU 72 -12.332 7.194 -6.483 515 3HD1 LEU 72 3HD1 LEU 72 -11.413 8.699 -6.517 516 1HD2 LEU 72 1HD2 LEU 72 -12.610 7.033 -9.020 517 2HD2 LEU 72 2HD2 LEU 72 -11.244 7.543 -10.014 518 3HD2 LEU 72 3HD2 LEU 72 -12.009 8.689 -8.914 519 H ILE 73 H ILE 73 -7.876 6.724 -9.921 520 HA ILE 73 HA ILE 73 -8.619 4.061 -10.290 521 HB ILE 73 HB ILE 73 -7.967 5.464 -12.168 522 1HG1 ILE 73 2HG1 ILE 73 -5.811 3.390 -12.189 523 2HG1 ILE 73 1HG1 ILE 73 -7.479 2.844 -12.019 524 1HG2 ILE 73 1HG2 ILE 73 -5.140 5.258 -11.092 525 2HG2 ILE 73 2HG2 ILE 73 -6.165 6.682 -10.925 526 3HG2 ILE 73 3HG2 ILE 73 -5.659 6.143 -12.526 527 1HD1 ILE 73 1HD1 ILE 73 -6.732 2.959 -14.404 528 2HD1 ILE 73 2HD1 ILE 73 -6.502 4.696 -14.211 529 3HD1 ILE 73 3HD1 ILE 73 -8.115 4.000 -14.065 530 H THR 74 H THR 74 -5.514 5.302 -9.072 531 HA THR 74 HA THR 74 -4.123 2.828 -8.976 532 HB THR 74 HB THR 74 -2.835 3.929 -7.079 533 HG1 THR 74 HG1 THR 74 -3.524 5.787 -6.322 534 1HG2 THR 74 1HG2 THR 74 -2.831 4.414 -9.798 535 2HG2 THR 74 2HG2 THR 74 -1.602 4.972 -8.662 536 3HG2 THR 74 3HG2 THR 74 -2.933 6.037 -9.115 537 H GLU 75 H GLU 75 -6.170 4.396 -6.504 538 HA GLU 75 HA GLU 75 -5.920 2.215 -4.621 539 1HB GLU 75 2HB GLU 75 -7.008 4.800 -4.598 540 2HB GLU 75 1HB GLU 75 -8.388 3.729 -4.353 541 1HG GLU 75 2HG GLU 75 -6.862 2.525 -2.625 542 2HG GLU 75 1HG GLU 75 -5.899 4.001 -2.679 543 H TRP 76 H TRP 76 -7.584 2.523 -7.549 544 HA TRP 76 HA TRP 76 -9.795 0.720 -6.783 545 1HB TRP 76 2HB TRP 76 -9.605 2.719 -8.647 546 2HB TRP 76 1HB TRP 76 -9.348 1.288 -9.644 547 HD1 TRP 76 HD1 TRP 76 -11.228 -0.679 -7.941 548 HE1 TRP 76 HE1 TRP 76 -13.787 -0.425 -8.144 549 HE3 TRP 76 HE3 TRP 76 -11.501 4.114 -9.674 550 HZ2 TRP 76 HZ2 TRP 76 -15.696 1.553 -8.937 551 HZ3 TRP 76 HZ3 TRP 76 -13.698 5.159 -10.144 552 HH2 TRP 76 HH2 TRP 76 -15.794 3.886 -9.778 553 H VAL 77 H VAL 77 -6.723 0.625 -8.498 554 HA VAL 77 HA VAL 77 -7.208 -2.231 -9.191 555 HB VAL 77 HB VAL 77 -5.004 -1.896 -10.480 556 1HG1 VAL 77 1HG1 VAL 77 -6.177 -1.081 -12.369 557 2HG1 VAL 77 2HG1 VAL 77 -7.231 -0.068 -11.382 558 3HG1 VAL 77 3HG1 VAL 77 -7.429 -1.821 -11.371 559 1HG2 VAL 77 1HG2 VAL 77 -3.976 0.120 -10.416 560 2HG2 VAL 77 2HG2 VAL 77 -5.028 0.510 -9.056 561 3HG2 VAL 77 3HG2 VAL 77 -5.493 0.975 -10.693 562 H LYS 78 H LYS 78 -6.961 -2.361 -6.652 563 HA LYS 78 HA LYS 78 -4.101 -3.036 -6.129 564 1HB LYS 78 2HB LYS 78 -5.219 -0.845 -5.010 565 2HB LYS 78 1HB LYS 78 -5.722 -2.059 -3.834 566 1HG LYS 78 2HG LYS 78 -3.459 -2.723 -3.415 567 2HG LYS 78 1HG LYS 78 -2.865 -1.799 -4.795 568 1HD LYS 78 2HD LYS 78 -3.693 0.291 -3.659 569 2HD LYS 78 1HD LYS 78 -4.053 -0.691 -2.238 570 1HE LYS 78 2HE LYS 78 -1.752 0.514 -2.337 571 2HE LYS 78 1HE LYS 78 -1.784 -1.178 -1.845 572 1HZ LYS 78 1HZ LYS 78 -1.261 -0.207 -4.603 573 2HZ LYS 78 2HZ LYS 78 -1.242 -1.826 -4.091 574 3HZ LYS 78 3HZ LYS 78 -0.074 -0.736 -3.512 575 H GLY 79 H GLY 79 -4.359 -5.267 -6.218 576 1HA GLY 79 2HA GLY 79 -4.768 -7.304 -5.016 577 2HA GLY 79 1HA GLY 79 -5.987 -6.466 -4.057 578 H LYS 80 H LYS 80 -6.778 -5.430 -6.983 579 HA LYS 80 HA LYS 80 -8.921 -7.408 -7.275 580 1HB LYS 80 2HB LYS 80 -8.239 -5.038 -9.043 581 2HB LYS 80 1HB LYS 80 -9.760 -5.931 -9.024 582 1HG LYS 80 2HG LYS 80 -8.725 -4.677 -6.494 583 2HG LYS 80 1HG LYS 80 -9.592 -3.695 -7.675 584 1HD LYS 80 2HD LYS 80 -11.533 -5.133 -7.543 585 2HD LYS 80 1HD LYS 80 -10.663 -6.289 -6.533 586 1HE LYS 80 2HE LYS 80 -12.228 -4.686 -5.300 587 2HE LYS 80 1HE LYS 80 -10.573 -4.769 -4.697 588 1HZ LYS 80 1HZ LYS 80 -10.783 -2.845 -6.763 589 2HZ LYS 80 2HZ LYS 80 -10.279 -2.639 -5.154 590 3HZ LYS 80 3HZ LYS 80 -11.927 -2.522 -5.554 591 H SER 81 H SER 81 -9.300 -7.703 -9.946 592 HA SER 81 HA SER 81 -6.758 -8.960 -10.903 593 1HB SER 81 2HB SER 81 -9.413 -10.057 -11.733 594 2HB SER 81 1HB SER 81 -7.874 -10.888 -11.529 595 HG SER 81 HG SER 81 -8.761 -9.772 -9.215 596 H LEU 82 H LEU 82 -7.219 -9.535 -13.428 597 HA LEU 82 HA LEU 82 -7.386 -6.984 -14.749 598 1HB LEU 82 2HB LEU 82 -7.269 -9.841 -15.700 599 2HB LEU 82 1HB LEU 82 -7.513 -8.521 -16.844 600 HG LEU 82 HG LEU 82 -5.316 -8.211 -14.851 601 1HD1 LEU 82 1HD1 LEU 82 -5.079 -9.963 -17.316 602 2HD1 LEU 82 2HD1 LEU 82 -5.089 -10.557 -15.656 603 3HD1 LEU 82 3HD1 LEU 82 -3.771 -9.528 -16.216 604 1HD2 LEU 82 1HD2 LEU 82 -4.534 -6.705 -16.389 605 2HD2 LEU 82 2HD2 LEU 82 -6.204 -6.740 -16.956 606 3HD2 LEU 82 3HD2 LEU 82 -4.979 -7.722 -17.759 607 H GLU 83 H GLU 83 -9.788 -9.071 -13.598 608 HA GLU 83 HA GLU 83 -11.788 -8.659 -15.649 609 1HB GLU 83 2HB GLU 83 -11.881 -10.502 -13.959 610 2HB GLU 83 1HB GLU 83 -12.193 -9.296 -12.710 611 1HG GLU 83 2HG GLU 83 -13.927 -9.283 -15.149 612 2HG GLU 83 1HG GLU 83 -14.199 -10.537 -13.939 613 H GLU 84 H GLU 84 -10.828 -6.937 -12.722 614 HA GLU 84 HA GLU 84 -13.049 -5.011 -13.043 615 1HB GLU 84 2HB GLU 84 -12.308 -5.805 -10.773 616 2HB GLU 84 1HB GLU 84 -10.770 -4.982 -11.042 617 1HG GLU 84 2HG GLU 84 -13.166 -3.330 -11.556 618 2HG GLU 84 1HG GLU 84 -12.942 -3.808 -9.872 619 H ALA 85 H ALA 85 -9.527 -5.177 -13.387 620 HA ALA 85 HA ALA 85 -9.210 -2.359 -13.990 621 1HB ALA 85 1HB ALA 85 -6.946 -2.951 -14.631 622 2HB ALA 85 2HB ALA 85 -7.384 -4.655 -14.759 623 3HB ALA 85 3HB ALA 85 -7.362 -3.867 -13.183 624 H GLY 86 H GLY 86 -9.949 -5.237 -15.857 625 1HA GLY 86 2HA GLY 86 -9.687 -3.707 -18.391 626 2HA GLY 86 1HA GLY 86 -9.924 -5.452 -18.269 627 H ALA 87 H ALA 87 -11.720 -2.721 -16.817 628 HA ALA 87 HA ALA 87 -14.049 -3.220 -18.511 629 1HB ALA 87 1HB ALA 87 -14.546 -5.016 -17.060 630 2HB ALA 87 2HB ALA 87 -15.480 -3.679 -16.391 631 3HB ALA 87 3HB ALA 87 -13.954 -4.150 -15.642 632 H ILE 88 H ILE 88 -12.801 -1.767 -15.516 633 HA ILE 88 HA ILE 88 -14.609 0.236 -14.985 634 HB ILE 88 HB ILE 88 -12.508 1.706 -14.545 635 1HG1 ILE 88 2HG1 ILE 88 -11.261 -0.948 -15.328 636 2HG1 ILE 88 1HG1 ILE 88 -11.009 0.605 -16.125 637 1HG2 ILE 88 1HG2 ILE 88 -13.721 0.320 -12.852 638 2HG2 ILE 88 2HG2 ILE 88 -11.986 0.413 -12.546 639 3HG2 ILE 88 3HG2 ILE 88 -12.678 -1.040 -13.269 640 1HD1 ILE 88 1HD1 ILE 88 -10.168 1.463 -13.863 641 2HD1 ILE 88 2HD1 ILE 88 -9.121 0.317 -14.698 642 3HD1 ILE 88 3HD1 ILE 88 -10.127 -0.225 -13.355 643 H LYS 89 H LYS 89 -14.952 2.400 -15.785 644 HA LYS 89 HA LYS 89 -13.872 2.886 -18.531 645 1HB LYS 89 2HB LYS 89 -16.716 3.119 -17.537 646 2HB LYS 89 1HB LYS 89 -16.162 3.958 -18.986 647 1HG LYS 89 2HG LYS 89 -15.504 1.842 -20.009 648 2HG LYS 89 1HG LYS 89 -15.932 0.968 -18.538 649 1HD LYS 89 2HD LYS 89 -18.263 2.258 -18.972 650 2HD LYS 89 1HD LYS 89 -17.696 2.120 -20.636 651 1HE LYS 89 2HE LYS 89 -19.060 0.162 -20.001 652 2HE LYS 89 1HE LYS 89 -17.394 -0.309 -20.340 653 1HZ LYS 89 1HZ LYS 89 -18.666 -1.046 -18.151 654 2HZ LYS 89 2HZ LYS 89 -18.024 0.424 -17.591 655 3HZ LYS 89 3HZ LYS 89 -16.990 -0.787 -18.184 656 H ASN 90 H ASN 90 -14.340 5.299 -19.141 657 HA ASN 90 HA ASN 90 -13.277 6.935 -16.933 658 1HB ASN 90 2HB ASN 90 -12.843 8.600 -18.595 659 2HB ASN 90 1HB ASN 90 -12.457 7.054 -19.354 660 1HD2 ASN 90 1HD2 ASN 90 -14.628 9.805 -19.447 661 2HD2 ASN 90 2HD2 ASN 90 -15.519 9.302 -20.802 662 H SER 91 H SER 91 -16.318 6.091 -18.092 663 HA SER 91 HA SER 91 -17.669 8.636 -17.735 664 1HB SER 91 2HB SER 91 -19.186 6.104 -17.383 665 2HB SER 91 1HB SER 91 -19.565 7.513 -18.371 666 HG SER 91 HG SER 91 -17.887 6.821 -19.796 667 H GLN 92 H GLN 92 -17.357 5.688 -15.741 668 HA GLN 92 HA GLN 92 -18.865 6.666 -13.521 669 1HB GLN 92 2HB GLN 92 -17.626 4.292 -14.141 670 2HB GLN 92 1HB GLN 92 -16.591 4.913 -12.854 671 1HG GLN 92 2HG GLN 92 -18.247 3.728 -11.676 672 2HG GLN 92 1HG GLN 92 -18.819 5.394 -11.601 673 1HE2 GLN 92 1HE2 GLN 92 -19.919 2.318 -12.197 674 2HE2 GLN 92 2HE2 GLN 92 -21.217 2.677 -13.229 675 H ILE 93 H ILE 93 -15.298 6.428 -13.833 676 HA ILE 93 HA ILE 93 -14.643 7.932 -11.547 677 HB ILE 93 HB ILE 93 -13.213 7.755 -14.214 678 1HG1 ILE 93 2HG1 ILE 93 -12.500 6.405 -11.608 679 2HG1 ILE 93 1HG1 ILE 93 -13.639 5.671 -12.739 680 1HG2 ILE 93 1HG2 ILE 93 -11.260 8.299 -12.434 681 2HG2 ILE 93 2HG2 ILE 93 -12.583 9.196 -11.689 682 3HG2 ILE 93 3HG2 ILE 93 -12.093 9.559 -13.344 683 1HD1 ILE 93 1HD1 ILE 93 -11.432 4.801 -13.228 684 2HD1 ILE 93 2HD1 ILE 93 -10.758 6.429 -13.295 685 3HD1 ILE 93 3HD1 ILE 93 -11.892 5.892 -14.535 686 H ALA 94 H ALA 94 -15.476 9.033 -14.812 687 HA ALA 94 HA ALA 94 -14.873 11.798 -14.421 688 1HB ALA 94 1HB ALA 94 -15.251 11.170 -16.659 689 2HB ALA 94 2HB ALA 94 -16.710 12.071 -16.244 690 3HB ALA 94 3HB ALA 94 -16.736 10.307 -16.260 691 H GLU 95 H GLU 95 -17.708 9.853 -13.609 692 HA GLU 95 HA GLU 95 -19.245 12.222 -12.790 693 1HB GLU 95 2HB GLU 95 -19.774 9.388 -13.240 694 2HB GLU 95 1HB GLU 95 -20.510 9.965 -11.745 695 1HG GLU 95 2HG GLU 95 -20.820 11.264 -14.468 696 2HG GLU 95 1HG GLU 95 -22.038 10.274 -13.661 697 H GLU 96 H GLU 96 -17.058 9.939 -11.363 698 HA GLU 96 HA GLU 96 -17.930 10.342 -8.618 699 1HB GLU 96 2HB GLU 96 -16.616 8.343 -9.449 700 2HB GLU 96 1HB GLU 96 -15.214 9.404 -9.579 701 1HG GLU 96 2HG GLU 96 -14.895 8.600 -7.433 702 2HG GLU 96 1HG GLU 96 -15.885 10.016 -7.078 703 H LEU 97 H LEU 97 -15.837 12.008 -10.844 704 HA LEU 97 HA LEU 97 -14.906 13.778 -8.622 705 1HB LEU 97 2HB LEU 97 -13.722 13.107 -11.319 706 2HB LEU 97 1HB LEU 97 -13.203 14.523 -10.407 707 HG LEU 97 HG LEU 97 -13.294 11.823 -9.084 708 1HD1 LEU 97 1HD1 LEU 97 -10.922 11.512 -9.718 709 2HD1 LEU 97 2HD1 LEU 97 -11.009 12.954 -10.731 710 3HD1 LEU 97 3HD1 LEU 97 -11.967 11.530 -11.139 711 1HD2 LEU 97 1HD2 LEU 97 -12.938 13.656 -7.587 712 2HD2 LEU 97 2HD2 LEU 97 -11.797 14.425 -8.691 713 3HD2 LEU 97 3HD2 LEU 97 -11.348 12.941 -7.850 714 H GLU 98 H GLU 98 -16.826 13.588 -11.477 715 HA GLU 98 HA GLU 98 -17.955 15.236 -12.727 716 1HB GLU 98 2HB GLU 98 -18.104 16.884 -10.230 717 2HB GLU 98 1HB GLU 98 -19.371 16.502 -11.395 718 1HG GLU 98 2HG GLU 98 -19.164 14.074 -10.589 719 2HG GLU 98 1HG GLU 98 -18.227 14.720 -9.241 720 H LEU 99 H LEU 99 -15.524 15.638 -13.494 721 HA LEU 99 HA LEU 99 -14.642 18.371 -12.735 722 1HB LEU 99 2HB LEU 99 -12.678 17.742 -14.282 723 2HB LEU 99 1HB LEU 99 -12.813 16.854 -12.763 724 HG LEU 99 HG LEU 99 -14.153 15.813 -15.248 725 1HD1 LEU 99 1HD1 LEU 99 -11.914 14.353 -15.251 726 2HD1 LEU 99 2HD1 LEU 99 -11.240 15.841 -14.587 727 3HD1 LEU 99 3HD1 LEU 99 -12.035 15.858 -16.162 728 1HD2 LEU 99 1HD2 LEU 99 -13.962 14.996 -12.560 729 2HD2 LEU 99 2HD2 LEU 99 -12.898 13.910 -13.452 730 3HD2 LEU 99 3HD2 LEU 99 -14.595 14.053 -13.907 731 HA PRO 100 HA PRO 100 -16.276 20.546 -16.197 732 1HB PRO 100 2HB PRO 100 -13.449 21.194 -16.923 733 2HB PRO 100 1HB PRO 100 -14.838 22.278 -16.724 734 1HG PRO 100 2HG PRO 100 -12.909 22.037 -14.867 735 2HG PRO 100 1HG PRO 100 -14.593 22.399 -14.464 736 1HD PRO 100 2HD PRO 100 -13.063 19.916 -13.995 737 2HD PRO 100 1HD PRO 100 -14.554 20.487 -13.216 738 HA PRO 101 HA PRO 101 -15.791 17.774 -19.633 739 1HB PRO 101 2HB PRO 101 -16.938 19.256 -21.606 740 2HB PRO 101 1HB PRO 101 -17.875 18.499 -20.304 741 1HG PRO 101 2HG PRO 101 -17.011 21.328 -20.616 742 2HG PRO 101 1HG PRO 101 -18.534 20.673 -19.990 743 1HD PRO 101 2HD PRO 101 -16.497 21.603 -18.379 744 2HD PRO 101 1HD PRO 101 -17.692 20.392 -17.864 745 H VAL 102 H VAL 102 -14.203 20.804 -19.523 746 HA VAL 102 HA VAL 102 -12.853 20.423 -22.129 747 HB VAL 102 HB VAL 102 -11.815 22.587 -21.675 748 1HG1 VAL 102 1HG1 VAL 102 -14.538 23.169 -20.679 749 2HG1 VAL 102 2HG1 VAL 102 -14.476 22.172 -22.133 750 3HG1 VAL 102 3HG1 VAL 102 -13.716 23.765 -22.121 751 1HG2 VAL 102 1HG2 VAL 102 -11.356 22.416 -19.319 752 2HG2 VAL 102 2HG2 VAL 102 -13.067 22.207 -18.942 753 3HG2 VAL 102 3HG2 VAL 102 -12.474 23.766 -19.518 754 H LYS 103 H LYS 103 -12.520 18.881 -19.360 755 HA LYS 103 HA LYS 103 -9.566 18.681 -19.660 756 1HB LYS 103 2HB LYS 103 -11.070 19.542 -17.252 757 2HB LYS 103 1HB LYS 103 -9.800 18.350 -16.976 758 1HG LYS 103 2HG LYS 103 -8.142 19.770 -18.003 759 2HG LYS 103 1HG LYS 103 -9.379 20.906 -18.546 760 1HD LYS 103 2HD LYS 103 -9.949 21.396 -16.186 761 2HD LYS 103 1HD LYS 103 -8.680 20.289 -15.659 762 1HE LYS 103 2HE LYS 103 -6.969 21.698 -16.354 763 2HE LYS 103 1HE LYS 103 -7.972 22.481 -17.576 764 1HZ LYS 103 1HZ LYS 103 -7.427 23.417 -15.054 765 2HZ LYS 103 2HZ LYS 103 -9.031 22.865 -14.966 766 3HZ LYS 103 3HZ LYS 103 -8.590 24.023 -16.128 767 H VAL 104 H VAL 104 -12.390 17.135 -19.875 768 HA VAL 104 HA VAL 104 -12.358 14.838 -18.306 769 HB VAL 104 HB VAL 104 -12.840 14.709 -21.286 770 1HG1 VAL 104 1HG1 VAL 104 -14.839 13.338 -20.212 771 2HG1 VAL 104 2HG1 VAL 104 -13.735 13.223 -18.842 772 3HG1 VAL 104 3HG1 VAL 104 -13.252 12.596 -20.419 773 1HG2 VAL 104 1HG2 VAL 104 -14.239 16.476 -21.005 774 2HG2 VAL 104 2HG2 VAL 104 -14.160 16.366 -19.246 775 3HG2 VAL 104 3HG2 VAL 104 -15.273 15.334 -20.146 776 H HIS 105 H HIS 105 -9.988 15.844 -20.580 777 HA HIS 105 HA HIS 105 -8.882 13.444 -21.517 778 1HB HIS 105 2HB HIS 105 -6.727 14.643 -21.596 779 2HB HIS 105 1HB HIS 105 -8.040 15.680 -22.152 780 HD2 HIS 105 HD2 HIS 105 -7.050 18.123 -21.178 781 HE1 HIS 105 HE1 HIS 105 -6.716 16.960 -17.131 782 HE2 HIS 105 HE2 HIS 105 -6.569 18.915 -18.740 783 H CYS 106 H CYS 106 -9.177 14.506 -18.282 784 HA CYS 106 HA CYS 106 -6.883 13.073 -17.209 785 1HB CYS 106 2HB CYS 106 -7.860 14.970 -15.992 786 2HB CYS 106 1HB CYS 106 -9.391 14.107 -15.851 787 HG CYS 106 HG CYS 106 -7.932 12.242 -14.479 788 H SER 107 H SER 107 -10.344 12.499 -16.516 789 HA SER 107 HA SER 107 -10.111 9.877 -15.597 790 1HB SER 107 2HB SER 107 -12.484 9.606 -16.647 791 2HB SER 107 1HB SER 107 -12.251 10.816 -15.388 792 HG SER 107 HG SER 107 -12.001 11.352 -18.163 793 H ILE 108 H ILE 108 -10.485 10.952 -18.978 794 HA ILE 108 HA ILE 108 -10.625 8.385 -20.173 795 HB ILE 108 HB ILE 108 -9.561 11.034 -21.159 796 1HG1 ILE 108 2HG1 ILE 108 -11.981 9.359 -21.907 797 2HG1 ILE 108 1HG1 ILE 108 -12.012 10.749 -20.821 798 1HG2 ILE 108 1HG2 ILE 108 -9.586 8.338 -22.510 799 2HG2 ILE 108 2HG2 ILE 108 -8.286 9.530 -22.453 800 3HG2 ILE 108 3HG2 ILE 108 -9.709 9.824 -23.450 801 1HD1 ILE 108 1HD1 ILE 108 -12.682 11.401 -23.106 802 2HD1 ILE 108 2HD1 ILE 108 -11.143 10.806 -23.727 803 3HD1 ILE 108 3HD1 ILE 108 -11.177 12.194 -22.638 804 H LEU 109 H LEU 109 -7.741 10.439 -19.621 805 HA LEU 109 HA LEU 109 -5.794 8.666 -20.605 806 1HB LEU 109 2HB LEU 109 -5.852 10.944 -18.760 807 2HB LEU 109 1HB LEU 109 -4.583 9.781 -18.372 808 HG LEU 109 HG LEU 109 -3.637 9.942 -20.566 809 1HD1 LEU 109 1HD1 LEU 109 -5.191 10.081 -22.221 810 2HD1 LEU 109 2HD1 LEU 109 -5.011 11.823 -22.017 811 3HD1 LEU 109 3HD1 LEU 109 -6.326 10.972 -21.208 812 1HD2 LEU 109 1HD2 LEU 109 -2.914 12.197 -20.580 813 2HD2 LEU 109 2HD2 LEU 109 -3.363 11.907 -18.900 814 3HD2 LEU 109 3HD2 LEU 109 -4.460 12.785 -19.965 815 H ALA 110 H ALA 110 -7.643 8.525 -17.637 816 HA ALA 110 HA ALA 110 -5.952 6.561 -16.331 817 1HB ALA 110 1HB ALA 110 -8.872 6.739 -15.717 818 2HB ALA 110 2HB ALA 110 -7.876 8.158 -15.391 819 3HB ALA 110 3HB ALA 110 -7.499 6.619 -14.616 820 H GLU 111 H GLU 111 -9.067 6.353 -18.084 821 HA GLU 111 HA GLU 111 -9.240 3.494 -17.952 822 1HB GLU 111 2HB GLU 111 -11.246 4.620 -18.520 823 2HB GLU 111 1HB GLU 111 -10.454 5.566 -19.782 824 1HG GLU 111 2HG GLU 111 -10.398 3.781 -21.278 825 2HG GLU 111 1HG GLU 111 -10.477 2.573 -19.996 826 H ASP 112 H ASP 112 -7.944 5.691 -20.445 827 HA ASP 112 HA ASP 112 -7.198 3.636 -22.293 828 1HB ASP 112 2HB ASP 112 -6.646 6.509 -21.920 829 2HB ASP 112 1HB ASP 112 -5.347 5.623 -22.719 830 H ALA 113 H ALA 113 -5.557 5.048 -19.497 831 HA ALA 113 HA ALA 113 -2.967 3.973 -19.928 832 1HB ALA 113 1HB ALA 113 -3.054 3.908 -17.264 833 2HB ALA 113 2HB ALA 113 -4.528 4.838 -17.529 834 3HB ALA 113 3HB ALA 113 -2.986 5.438 -18.138 835 H ILE 114 H ILE 114 -5.680 2.578 -18.042 836 HA ILE 114 HA ILE 114 -4.391 0.127 -17.420 837 HB ILE 114 HB ILE 114 -6.778 1.199 -16.757 838 1HG1 ILE 114 2HG1 ILE 114 -7.327 -1.305 -16.071 839 2HG1 ILE 114 1HG1 ILE 114 -5.683 -1.587 -16.645 840 1HG2 ILE 114 1HG2 ILE 114 -7.482 -1.057 -18.655 841 2HG2 ILE 114 2HG2 ILE 114 -7.674 0.650 -19.053 842 3HG2 ILE 114 3HG2 ILE 114 -8.600 -0.054 -17.729 843 1HD1 ILE 114 1HD1 ILE 114 -5.236 -1.043 -14.441 844 2HD1 ILE 114 2HD1 ILE 114 -6.626 0.036 -14.316 845 3HD1 ILE 114 3HD1 ILE 114 -5.172 0.564 -15.164 846 H LYS 115 H LYS 115 -6.335 1.048 -20.259 847 HA LYS 115 HA LYS 115 -6.379 -1.525 -21.491 848 1HB LYS 115 2HB LYS 115 -7.786 0.355 -22.259 849 2HB LYS 115 1HB LYS 115 -6.343 1.212 -22.803 850 1HG LYS 115 2HG LYS 115 -5.877 -0.448 -24.470 851 2HG LYS 115 1HG LYS 115 -7.085 -1.547 -23.803 852 1HD LYS 115 2HD LYS 115 -8.745 0.433 -24.268 853 2HD LYS 115 1HD LYS 115 -7.494 0.974 -25.388 854 1HE LYS 115 2HE LYS 115 -8.956 -1.679 -25.411 855 2HE LYS 115 1HE LYS 115 -9.010 -0.415 -26.640 856 1HZ LYS 115 1HZ LYS 115 -6.697 -0.784 -27.118 857 2HZ LYS 115 2HZ LYS 115 -7.533 -2.259 -27.240 858 3HZ LYS 115 3HZ LYS 115 -6.576 -1.932 -25.875 859 H ALA 116 H ALA 116 -3.901 0.942 -21.292 860 HA ALA 116 HA ALA 116 -2.246 -0.210 -23.401 861 1HB ALA 116 1HB ALA 116 -2.078 2.051 -21.509 862 2HB ALA 116 2HB ALA 116 -1.523 1.938 -23.180 863 3HB ALA 116 3HB ALA 116 -0.529 1.291 -21.874 864 H ALA 117 H ALA 117 -2.145 -0.199 -19.825 865 HA ALA 117 HA ALA 117 0.169 -1.754 -19.461 866 1HB ALA 117 1HB ALA 117 -2.147 -2.399 -17.710 867 2HB ALA 117 2HB ALA 117 -1.664 -0.704 -17.773 868 3HB ALA 117 3HB ALA 117 -0.502 -1.935 -17.274 869 H ILE 118 H ILE 118 -3.078 -2.736 -20.409 870 HA ILE 118 HA ILE 118 -2.522 -5.587 -20.135 871 HB ILE 118 HB ILE 118 -4.753 -4.001 -21.418 872 1HG1 ILE 118 2HG1 ILE 118 -4.703 -5.957 -19.097 873 2HG1 ILE 118 1HG1 ILE 118 -4.631 -4.203 -18.922 874 1HG2 ILE 118 1HG2 ILE 118 -5.828 -6.358 -21.577 875 2HG2 ILE 118 2HG2 ILE 118 -4.172 -6.961 -21.492 876 3HG2 ILE 118 3HG2 ILE 118 -4.659 -5.903 -22.817 877 1HD1 ILE 118 1HD1 ILE 118 -6.931 -5.934 -19.553 878 2HD1 ILE 118 2HD1 ILE 118 -6.799 -4.505 -20.577 879 3HD1 ILE 118 3HD1 ILE 118 -6.898 -4.329 -18.826 880 H ALA 119 H ALA 119 -2.621 -3.241 -22.810 881 HA ALA 119 HA ALA 119 -2.205 -5.056 -24.946 882 1HB ALA 119 1HB ALA 119 -2.023 -2.190 -24.526 883 2HB ALA 119 2HB ALA 119 -2.408 -3.073 -26.002 884 3HB ALA 119 3HB ALA 119 -0.726 -2.752 -25.581 885 H ASP 120 H ASP 120 0.168 -3.369 -22.883 886 HA ASP 120 HA ASP 120 2.463 -4.556 -24.179 887 1HB ASP 120 2HB ASP 120 2.080 -3.233 -21.482 888 2HB ASP 120 1HB ASP 120 3.646 -3.813 -22.051 889 H TYR 121 H TYR 121 0.850 -5.243 -21.052 890 HA TYR 121 HA TYR 121 2.371 -7.446 -20.247 891 1HB TYR 121 2HB TYR 121 0.691 -6.705 -18.745 892 2HB TYR 121 1HB TYR 121 -0.578 -6.851 -19.962 893 HD1 TYR 121 HD1 TYR 121 -1.977 -8.705 -19.816 894 HD2 TYR 121 HD2 TYR 121 2.051 -9.004 -18.354 895 HE1 TYR 121 HE1 TYR 121 -2.417 -11.031 -19.078 896 HE2 TYR 121 HE2 TYR 121 1.610 -11.330 -17.616 897 HH TYR 121 HH TYR 121 -0.659 -13.191 -18.663 898 H LYS 122 H LYS 122 -0.344 -7.380 -22.551 899 HA LYS 122 HA LYS 122 -0.288 -10.237 -23.024 900 1HB LYS 122 2HB LYS 122 -1.918 -8.042 -23.794 901 2HB LYS 122 1HB LYS 122 -1.329 -8.782 -25.284 902 1HG LYS 122 2HG LYS 122 -3.313 -9.977 -24.755 903 2HG LYS 122 1HG LYS 122 -1.998 -11.032 -24.237 904 1HD LYS 122 2HD LYS 122 -2.562 -9.302 -22.058 905 2HD LYS 122 1HD LYS 122 -4.114 -9.894 -22.652 906 1HE LYS 122 2HE LYS 122 -1.737 -11.538 -21.753 907 2HE LYS 122 1HE LYS 122 -3.350 -11.497 -21.040 908 1HZ LYS 122 1HZ LYS 122 -3.859 -13.177 -22.371 909 2HZ LYS 122 2HZ LYS 122 -2.391 -13.050 -23.216 910 3HZ LYS 122 3HZ LYS 122 -3.730 -12.121 -23.691 911 H ALA 123 H ALA 123 1.403 -7.470 -24.347 912 HA ALA 123 HA ALA 123 2.527 -9.103 -26.548 913 1HB ALA 123 1HB ALA 123 2.214 -7.002 -27.430 914 2HB ALA 123 2HB ALA 123 3.832 -6.758 -26.771 915 3HB ALA 123 3HB ALA 123 2.419 -6.203 -25.871 916 H LYS 124 H LYS 124 3.128 -8.880 -23.363 917 HA LYS 124 HA LYS 124 6.024 -8.493 -23.402 918 1HB LYS 124 2HB LYS 124 4.152 -8.304 -21.439 919 2HB LYS 124 1HB LYS 124 4.782 -9.920 -21.119 920 1HG LYS 124 2HG LYS 124 6.251 -8.603 -19.877 921 2HG LYS 124 1HG LYS 124 7.123 -8.752 -21.403 922 1HD LYS 124 2HD LYS 124 6.308 -6.589 -22.145 923 2HD LYS 124 1HD LYS 124 5.270 -6.451 -20.725 924 1HE LYS 124 2HE LYS 124 7.196 -6.356 -19.255 925 2HE LYS 124 1HE LYS 124 8.289 -6.686 -20.599 926 1HZ LYS 124 1HZ LYS 124 6.477 -4.382 -20.764 927 2HZ LYS 124 2HZ LYS 124 8.008 -4.604 -21.465 928 3HZ LYS 124 3HZ LYS 124 7.872 -4.258 -19.807 929 H GLN 125 H GLN 125 3.950 -11.319 -22.637 930 HA GLN 125 HA GLN 125 6.247 -13.079 -23.322 931 1HB GLN 125 2HB GLN 125 4.609 -14.863 -22.387 932 2HB GLN 125 1HB GLN 125 5.334 -13.729 -21.245 933 1HG GLN 125 2HG GLN 125 3.360 -12.454 -21.067 934 2HG GLN 125 1HG GLN 125 2.692 -13.114 -22.561 935 1HE2 GLN 125 1HE2 GLN 125 1.900 -13.189 -19.482 936 2HE2 GLN 125 2HE2 GLN 125 1.463 -14.814 -19.266 937 H GLY 126 H GLY 126 5.364 -11.995 -25.599 938 1HA GLY 126 2HA GLY 126 4.229 -14.280 -27.021 939 2HA GLY 126 1HA GLY 126 3.151 -12.884 -26.975 940 H LEU 127 H LEU 127 4.824 -10.756 -27.279 941 HA LEU 127 HA LEU 127 5.221 -10.355 -29.938 942 1HB LEU 127 2HB LEU 127 6.344 -9.227 -27.539 943 2HB LEU 127 1HB LEU 127 7.597 -9.322 -28.776 944 HG LEU 127 HG LEU 127 6.093 -8.187 -30.379 945 1HD1 LEU 127 1HD1 LEU 127 4.098 -7.025 -28.948 946 2HD1 LEU 127 2HD1 LEU 127 4.197 -8.586 -28.133 947 3HD1 LEU 127 3HD1 LEU 127 3.887 -8.515 -29.867 948 1HD2 LEU 127 1HD2 LEU 127 6.871 -6.955 -27.768 949 2HD2 LEU 127 2HD2 LEU 127 5.858 -6.003 -28.855 950 3HD2 LEU 127 3HD2 LEU 127 7.435 -6.580 -29.396 951 H GLU 128 H GLU 128 7.702 -11.853 -27.831 952 HA GLU 128 HA GLU 128 8.546 -13.560 -30.067 953 1HB GLU 128 2HB GLU 128 10.866 -12.809 -30.074 954 2HB GLU 128 1HB GLU 128 9.817 -11.433 -30.415 955 1HG GLU 128 2HG GLU 128 10.639 -10.341 -28.631 956 2HG GLU 128 1HG GLU 128 10.116 -11.653 -27.574 957 H HIS 129 H HIS 129 11.213 -13.798 -28.544 958 HA HIS 129 HA HIS 129 10.270 -15.037 -26.021 959 1HB HIS 129 2HB HIS 129 10.089 -16.866 -27.616 960 2HB HIS 129 1HB HIS 129 11.714 -16.544 -28.223 961 HD2 HIS 129 HD2 HIS 129 11.404 -19.480 -26.926 962 HE1 HIS 129 HE1 HIS 129 13.127 -17.862 -23.427 963 HE2 HIS 129 HE2 HIS 129 12.585 -20.009 -24.662 964 H HIS 130 H HIS 130 13.303 -15.638 -27.745 965 HA HIS 130 HA HIS 130 14.745 -13.649 -26.131 966 1HB HIS 130 2HB HIS 130 14.387 -15.979 -24.864 967 2HB HIS 130 1HB HIS 130 15.777 -16.438 -25.849 968 HD2 HIS 130 HD2 HIS 130 15.117 -14.642 -22.558 969 HE1 HIS 130 HE1 HIS 130 18.964 -13.398 -23.776 970 HE2 HIS 130 HE2 HIS 130 17.313 -13.427 -21.850 971 H HIS 131 H HIS 131 15.485 -16.692 -27.878 972 HA HIS 131 HA HIS 131 17.678 -15.326 -29.292 973 1HB HIS 131 2HB HIS 131 18.242 -17.510 -30.146 974 2HB HIS 131 1HB HIS 131 17.836 -17.705 -28.441 975 HD2 HIS 131 HD2 HIS 131 16.240 -18.515 -31.964 976 HE1 HIS 131 HE1 HIS 131 14.032 -20.547 -28.992 977 HE2 HIS 131 HE2 HIS 131 14.339 -20.238 -31.491 978 H HIS 132 H HIS 132 17.545 -14.590 -31.385 979 HA HIS 132 HA HIS 132 15.225 -15.452 -33.039 980 1HB HIS 132 2HB HIS 132 14.583 -13.334 -31.920 981 2HB HIS 132 1HB HIS 132 16.017 -12.557 -32.592 982 HD2 HIS 132 HD2 HIS 132 14.398 -10.884 -34.273 983 HE1 HIS 132 HE1 HIS 132 12.964 -14.036 -36.691 984 HE2 HIS 132 HE2 HIS 132 13.115 -11.515 -36.455 985 H HIS 133 H HIS 133 18.045 -13.229 -33.130 986 HA HIS 133 HA HIS 133 18.646 -14.334 -35.840 987 1HB HIS 133 2HB HIS 133 18.992 -11.641 -34.587 988 2HB HIS 133 1HB HIS 133 20.166 -12.147 -35.800 989 HD2 HIS 133 HD2 HIS 133 18.223 -13.594 -37.979 990 HE1 HIS 133 HE1 HIS 133 15.937 -10.045 -37.869 991 HE2 HIS 133 HE2 HIS 133 16.410 -12.161 -39.187 992 H HIS 134 HN HIS 134 20.769 -15.038 -36.281 993 HA HIS 134 HA HIS 134 22.757 -14.929 -34.085 994 1HB HIS 134 2HB HIS 134 21.251 -17.078 -34.019 995 2HB HIS 134 1HB HIS 134 22.226 -17.582 -35.400 996 HD2 HIS 134 HD2 HIS 134 22.449 -18.539 -31.968 997 HE1 HIS 134 HE1 HIS 134 26.439 -17.379 -32.719 998 HE2 HIS 134 HE2 HIS 134 24.918 -18.646 -31.134 Start of MODEL 16 1 1H MET 1 1H MET 1 13.323 22.111 5.518 2 2H MET 1 2H MET 1 13.675 22.940 4.077 3 3H MET 1 3H MET 1 13.878 23.712 5.577 4 HA MET 1 HA MET 1 15.907 22.693 4.282 5 1HB MET 1 2HB MET 1 15.747 23.849 6.588 6 2HB MET 1 1HB MET 1 15.667 22.218 7.256 7 1HG MET 1 2HG MET 1 17.839 21.697 6.613 8 2HG MET 1 1HG MET 1 17.841 22.867 5.293 9 1HE MET 1 1HE MET 1 19.499 24.435 5.377 10 2HE MET 1 2HE MET 1 19.570 25.765 6.530 11 3HE MET 1 3HE MET 1 18.096 25.488 5.605 12 H ALA 2 H ALA 2 13.584 20.695 5.986 13 HA ALA 2 HA ALA 2 15.276 18.288 5.561 14 1HB ALA 2 1HB ALA 2 13.025 19.012 7.339 15 2HB ALA 2 2HB ALA 2 14.372 17.909 7.622 16 3HB ALA 2 3HB ALA 2 12.967 17.368 6.702 17 H TYR 3 H TYR 3 15.086 17.602 3.460 18 HA TYR 3 HA TYR 3 14.000 16.513 1.664 19 1HB TYR 3 2HB TYR 3 12.243 16.065 3.664 20 2HB TYR 3 1HB TYR 3 11.271 17.145 2.665 21 HD1 TYR 3 HD1 TYR 3 11.942 13.802 3.232 22 HD2 TYR 3 HD2 TYR 3 11.636 16.604 -0.008 23 HE1 TYR 3 HE1 TYR 3 11.478 11.938 1.664 24 HE2 TYR 3 HE2 TYR 3 11.174 14.740 -1.577 25 HH TYR 3 HH TYR 3 10.755 11.423 -0.414 26 H SER 4 H SER 4 14.542 18.080 0.139 27 HA SER 4 HA SER 4 12.376 19.813 -0.765 28 1HB SER 4 2HB SER 4 14.779 21.450 -0.368 29 2HB SER 4 1HB SER 4 13.094 21.831 -0.027 30 HG SER 4 HG SER 4 13.981 21.678 1.943 31 H GLU 5 H GLU 5 15.869 20.331 -1.136 32 HA GLU 5 HA GLU 5 15.618 19.322 -3.940 33 1HB GLU 5 2HB GLU 5 15.783 21.908 -3.544 34 2HB GLU 5 1HB GLU 5 17.484 21.568 -3.214 35 1HG GLU 5 2HG GLU 5 17.843 20.685 -5.390 36 2HG GLU 5 1HG GLU 5 16.112 20.545 -5.704 37 H LYS 6 H LYS 6 16.620 18.020 -1.453 38 HA LYS 6 HA LYS 6 19.525 17.954 -1.656 39 1HB LYS 6 2HB LYS 6 18.044 15.702 -0.381 40 2HB LYS 6 1HB LYS 6 19.451 16.592 0.199 41 1HG LYS 6 2HG LYS 6 17.669 18.590 0.278 42 2HG LYS 6 1HG LYS 6 16.552 17.240 0.476 43 1HD LYS 6 2HD LYS 6 17.733 16.444 2.418 44 2HD LYS 6 1HD LYS 6 19.053 17.584 2.150 45 1HE LYS 6 2HE LYS 6 17.787 19.420 2.838 46 2HE LYS 6 1HE LYS 6 16.254 18.619 2.495 47 1HZ LYS 6 1HZ LYS 6 18.061 17.571 4.573 48 2HZ LYS 6 2HZ LYS 6 16.385 17.355 4.408 49 3HZ LYS 6 3HZ LYS 6 17.006 18.851 4.922 50 H VAL 7 H VAL 7 17.323 15.159 -1.934 51 HA VAL 7 HA VAL 7 19.096 13.681 -3.609 52 HB VAL 7 HB VAL 7 16.735 12.565 -4.242 53 1HG1 VAL 7 1HG1 VAL 7 18.095 11.157 -3.040 54 2HG1 VAL 7 2HG1 VAL 7 16.965 11.569 -1.749 55 3HG1 VAL 7 3HG1 VAL 7 18.517 12.401 -1.862 56 1HG2 VAL 7 1HG2 VAL 7 16.108 13.737 -1.543 57 2HG2 VAL 7 2HG2 VAL 7 15.010 13.034 -2.730 58 3HG2 VAL 7 3HG2 VAL 7 15.694 14.637 -3.002 59 H ILE 8 H ILE 8 18.038 12.876 -5.878 60 HA ILE 8 HA ILE 8 17.886 13.543 -8.133 61 HB ILE 8 HB ILE 8 15.786 15.242 -6.766 62 1HG1 ILE 8 2HG1 ILE 8 15.035 13.092 -8.633 63 2HG1 ILE 8 1HG1 ILE 8 15.915 12.524 -7.214 64 1HG2 ILE 8 1HG2 ILE 8 16.795 15.324 -9.505 65 2HG2 ILE 8 2HG2 ILE 8 15.673 16.417 -8.693 66 3HG2 ILE 8 3HG2 ILE 8 15.075 14.938 -9.444 67 1HD1 ILE 8 1HD1 ILE 8 13.302 12.781 -7.093 68 2HD1 ILE 8 2HD1 ILE 8 13.670 14.492 -6.874 69 3HD1 ILE 8 3HD1 ILE 8 14.289 13.304 -5.728 70 H ASP 9 H ASP 9 20.086 14.523 -7.974 71 HA ASP 9 HA ASP 9 19.933 17.428 -8.563 72 1HB ASP 9 2HB ASP 9 21.355 16.172 -6.272 73 2HB ASP 9 1HB ASP 9 22.242 17.412 -7.161 74 H HIS 10 H HIS 10 23.004 15.959 -7.922 75 HA HIS 10 HA HIS 10 23.643 16.125 -10.803 76 1HB HIS 10 2HB HIS 10 25.134 16.951 -8.817 77 2HB HIS 10 1HB HIS 10 25.581 15.251 -8.675 78 HD2 HIS 10 HD2 HIS 10 28.195 15.843 -9.750 79 HE1 HIS 10 HE1 HIS 10 26.795 16.741 -13.633 80 HE2 HIS 10 HE2 HIS 10 28.860 16.283 -12.234 81 H TYR 11 H TYR 11 24.365 13.701 -8.257 82 HA TYR 11 HA TYR 11 25.007 11.534 -9.836 83 1HB TYR 11 2HB TYR 11 23.041 11.068 -7.618 84 2HB TYR 11 1HB TYR 11 24.502 10.167 -8.021 85 HD1 TYR 11 HD1 TYR 11 23.106 12.554 -5.822 86 HD2 TYR 11 HD2 TYR 11 26.757 11.553 -7.851 87 HE1 TYR 11 HE1 TYR 11 24.389 13.893 -4.173 88 HE2 TYR 11 HE2 TYR 11 28.040 12.892 -6.203 89 HH TYR 11 HH TYR 11 27.859 13.793 -4.031 90 H GLU 12 H GLU 12 23.942 10.235 -11.289 91 HA GLU 12 HA GLU 12 20.982 10.604 -11.523 92 1HB GLU 12 2HB GLU 12 21.301 10.249 -13.991 93 2HB GLU 12 1HB GLU 12 22.042 11.733 -13.392 94 1HG GLU 12 2HG GLU 12 23.842 9.433 -13.214 95 2HG GLU 12 1HG GLU 12 23.331 9.767 -14.869 96 H ASN 13 H ASN 13 21.449 8.606 -9.954 97 HA ASN 13 HA ASN 13 20.571 6.266 -11.289 98 1HB ASN 13 2HB ASN 13 23.483 6.674 -11.276 99 2HB ASN 13 1HB ASN 13 22.982 5.116 -10.618 100 1HD2 ASN 13 1HD2 ASN 13 24.212 5.968 -13.349 101 2HD2 ASN 13 2HD2 ASN 13 23.198 5.220 -14.486 102 HA PRO 14 HA PRO 14 20.312 6.618 -6.609 103 1HB PRO 14 2HB PRO 14 17.623 5.543 -7.278 104 2HB PRO 14 1HB PRO 14 18.068 6.874 -6.195 105 1HG PRO 14 2HG PRO 14 16.950 7.300 -8.588 106 2HG PRO 14 1HG PRO 14 18.144 8.407 -7.890 107 1HD PRO 14 2HD PRO 14 18.479 6.430 -10.105 108 2HD PRO 14 1HD PRO 14 19.288 7.993 -9.851 109 H ARG 15 H ARG 15 21.403 4.423 -8.346 110 HA ARG 15 HA ARG 15 21.792 2.108 -8.225 111 1HB ARG 15 2HB ARG 15 20.802 1.998 -5.421 112 2HB ARG 15 1HB ARG 15 22.314 1.400 -6.104 113 1HG ARG 15 2HG ARG 15 22.976 3.867 -6.381 114 2HG ARG 15 1HG ARG 15 21.617 4.231 -5.316 115 1HD ARG 15 2HD ARG 15 22.566 2.765 -3.583 116 2HD ARG 15 1HD ARG 15 23.917 2.372 -4.645 117 HE ARG 15 HE ARG 15 23.962 5.145 -4.485 118 1HH1 ARG 15 1HH2 ARG 15 23.954 2.492 -2.282 119 2HH1 ARG 15 2HH2 ARG 15 24.862 3.329 -1.067 120 1HH2 ARG 15 2HH1 ARG 15 25.144 6.251 -2.910 121 2HH2 ARG 15 1HH1 ARG 15 25.535 5.457 -1.421 122 H ASN 16 H ASN 16 19.686 2.128 -9.610 123 HA ASN 16 HA ASN 16 17.941 0.047 -8.542 124 1HB ASN 16 2HB ASN 16 15.920 1.236 -8.412 125 2HB ASN 16 1HB ASN 16 17.074 2.364 -7.700 126 1HD2 ASN 16 1HD2 ASN 16 17.657 4.271 -8.934 127 2HD2 ASN 16 2HD2 ASN 16 16.803 4.731 -10.328 128 H VAL 17 H VAL 17 17.794 -1.273 -10.283 129 HA VAL 17 HA VAL 17 18.431 -0.594 -12.941 130 HB VAL 17 HB VAL 17 16.483 -2.730 -12.018 131 1HG1 VAL 17 1HG1 VAL 17 18.268 -2.904 -14.426 132 2HG1 VAL 17 2HG1 VAL 17 16.752 -2.010 -14.541 133 3HG1 VAL 17 3HG1 VAL 17 16.736 -3.720 -14.113 134 1HG2 VAL 17 1HG2 VAL 17 18.543 -3.059 -10.839 135 2HG2 VAL 17 2HG2 VAL 17 19.501 -2.665 -12.266 136 3HG2 VAL 17 3HG2 VAL 17 18.586 -4.171 -12.207 137 H GLY 18 H GLY 18 15.096 -1.303 -11.839 138 1HA GLY 18 2HA GLY 18 13.537 0.753 -12.261 139 2HA GLY 18 1HA GLY 18 14.132 0.606 -13.916 140 H SER 19 H SER 19 11.700 -0.373 -11.809 141 HA SER 19 HA SER 19 10.010 -1.996 -11.966 142 1HB SER 19 2HB SER 19 10.701 -1.221 -14.752 143 2HB SER 19 1HB SER 19 9.741 -2.686 -14.561 144 HG SER 19 HG SER 19 8.396 -1.339 -13.125 145 H LEU 20 H LEU 20 9.586 -4.319 -12.632 146 HA LEU 20 HA LEU 20 12.036 -5.878 -12.223 147 1HB LEU 20 2HB LEU 20 9.134 -6.686 -12.567 148 2HB LEU 20 1HB LEU 20 10.442 -7.824 -12.246 149 HG LEU 20 HG LEU 20 9.696 -5.481 -10.472 150 1HD1 LEU 20 1HD1 LEU 20 8.503 -6.939 -9.140 151 2HD1 LEU 20 2HD1 LEU 20 9.467 -8.334 -9.624 152 3HD1 LEU 20 3HD1 LEU 20 8.224 -7.704 -10.704 153 1HD2 LEU 20 1HD2 LEU 20 11.229 -7.171 -8.980 154 2HD2 LEU 20 2HD2 LEU 20 11.878 -5.783 -9.855 155 3HD2 LEU 20 3HD2 LEU 20 11.959 -7.393 -10.570 156 H ASP 21 H ASP 21 13.171 -5.518 -14.220 157 HA ASP 21 HA ASP 21 13.836 -6.280 -16.348 158 1HB ASP 21 2HB ASP 21 12.356 -8.355 -15.447 159 2HB ASP 21 1HB ASP 21 11.347 -7.839 -16.798 160 H LYS 22 H LYS 22 10.394 -5.485 -15.952 161 HA LYS 22 HA LYS 22 9.112 -3.894 -17.126 162 1HB LYS 22 2HB LYS 22 11.479 -2.756 -17.284 163 2HB LYS 22 1HB LYS 22 11.422 -3.317 -18.956 164 1HG LYS 22 2HG LYS 22 9.127 -2.229 -19.116 165 2HG LYS 22 1HG LYS 22 9.475 -1.468 -17.563 166 1HD LYS 22 2HD LYS 22 10.777 0.085 -18.544 167 2HD LYS 22 1HD LYS 22 11.722 -1.158 -19.365 168 1HE LYS 22 2HE LYS 22 10.318 -1.163 -21.246 169 2HE LYS 22 1HE LYS 22 8.979 -0.426 -20.366 170 1HZ LYS 22 1HZ LYS 22 9.844 1.638 -20.586 171 2HZ LYS 22 2HZ LYS 22 10.542 0.950 -21.974 172 3HZ LYS 22 3HZ LYS 22 11.454 1.106 -20.549 173 H LYS 23 H LYS 23 10.678 -6.574 -18.456 174 HA LYS 23 HA LYS 23 8.781 -6.532 -20.764 175 1HB LYS 23 2HB LYS 23 11.723 -7.157 -20.732 176 2HB LYS 23 1HB LYS 23 10.672 -7.929 -21.920 177 1HG LYS 23 2HG LYS 23 9.849 -5.659 -22.590 178 2HG LYS 23 1HG LYS 23 11.038 -4.950 -21.498 179 1HD LYS 23 2HD LYS 23 12.860 -5.734 -22.776 180 2HD LYS 23 1HD LYS 23 11.867 -6.918 -23.625 181 1HE LYS 23 2HE LYS 23 11.124 -5.395 -25.144 182 2HE LYS 23 1HE LYS 23 10.981 -4.118 -23.936 183 1HZ LYS 23 1HZ LYS 23 12.732 -3.709 -25.608 184 2HZ LYS 23 2HZ LYS 23 13.557 -5.086 -25.051 185 3HZ LYS 23 3HZ LYS 23 13.327 -3.755 -24.021 186 H ASP 24 H ASP 24 8.074 -7.734 -18.400 187 HA ASP 24 HA ASP 24 8.550 -10.642 -18.924 188 1HB ASP 24 2HB ASP 24 9.247 -9.540 -16.659 189 2HB ASP 24 1HB ASP 24 7.518 -9.560 -16.311 190 H SER 25 H SER 25 6.644 -12.045 -18.470 191 HA SER 25 HA SER 25 4.209 -10.822 -19.562 192 1HB SER 25 2HB SER 25 5.094 -13.160 -20.134 193 2HB SER 25 1HB SER 25 4.518 -13.653 -18.544 194 HG SER 25 HG SER 25 3.094 -12.832 -20.813 195 H ASN 26 H ASN 26 5.439 -10.619 -16.611 196 HA ASN 26 HA ASN 26 2.795 -11.004 -15.263 197 1HB ASN 26 2HB ASN 26 5.373 -10.890 -13.727 198 2HB ASN 26 1HB ASN 26 3.865 -11.705 -13.314 199 1HD2 ASN 26 1HD2 ASN 26 5.026 -13.760 -12.993 200 2HD2 ASN 26 2HD2 ASN 26 5.588 -14.657 -14.320 201 H VAL 27 H VAL 27 5.195 -8.784 -16.224 202 HA VAL 27 HA VAL 27 4.020 -6.718 -14.402 203 HB VAL 27 HB VAL 27 6.799 -6.676 -15.613 204 1HG1 VAL 27 1HG1 VAL 27 5.547 -4.524 -14.892 205 2HG1 VAL 27 2HG1 VAL 27 7.171 -4.779 -14.253 206 3HG1 VAL 27 3HG1 VAL 27 5.763 -5.117 -13.245 207 1HG2 VAL 27 1HG2 VAL 27 7.617 -7.808 -13.813 208 2HG2 VAL 27 2HG2 VAL 27 5.970 -8.423 -13.667 209 3HG2 VAL 27 3HG2 VAL 27 6.485 -7.042 -12.698 210 H GLY 28 H GLY 28 2.437 -6.017 -15.888 211 1HA GLY 28 2HA GLY 28 3.208 -5.346 -18.639 212 2HA GLY 28 1HA GLY 28 1.607 -5.133 -17.931 213 H THR 29 H THR 29 3.485 -3.258 -19.446 214 HA THR 29 HA THR 29 3.470 -1.061 -17.412 215 HB THR 29 HB THR 29 5.268 -1.077 -19.832 216 HG1 THR 29 HG1 THR 29 6.699 -1.764 -17.796 217 1HG2 THR 29 1HG2 THR 29 6.658 0.278 -18.150 218 2HG2 THR 29 2HG2 THR 29 5.208 0.301 -17.147 219 3HG2 THR 29 3HG2 THR 29 5.182 1.034 -18.752 220 H GLY 30 H GLY 30 3.002 1.097 -18.335 221 1HA GLY 30 2HA GLY 30 1.876 1.195 -21.047 222 2HA GLY 30 1HA GLY 30 0.694 1.384 -19.751 223 H MET 31 H MET 31 1.742 3.334 -21.808 224 HA MET 31 HA MET 31 2.236 5.536 -19.887 225 1HB MET 31 2HB MET 31 4.488 4.917 -20.541 226 2HB MET 31 1HB MET 31 4.029 4.892 -22.245 227 1HG MET 31 2HG MET 31 4.078 7.169 -22.432 228 2HG MET 31 1HG MET 31 3.455 7.416 -20.800 229 1HE MET 31 1HE MET 31 5.453 9.011 -22.297 230 2HE MET 31 2HE MET 31 6.987 9.180 -21.446 231 3HE MET 31 3HE MET 31 5.479 9.537 -20.607 232 H VAL 32 H VAL 32 0.732 7.046 -20.375 233 HA VAL 32 HA VAL 32 0.026 7.441 -23.255 234 HB VAL 32 HB VAL 32 -2.273 8.121 -22.318 235 1HG1 VAL 32 1HG1 VAL 32 -2.801 5.559 -21.923 236 2HG1 VAL 32 2HG1 VAL 32 -1.137 5.349 -22.465 237 3HG1 VAL 32 3HG1 VAL 32 -2.317 6.130 -23.519 238 1HG2 VAL 32 1HG2 VAL 32 -1.951 6.290 -20.062 239 2HG2 VAL 32 2HG2 VAL 32 -2.687 7.892 -20.105 240 3HG2 VAL 32 3HG2 VAL 32 -0.944 7.728 -19.897 241 H GLY 33 H GLY 33 -1.033 9.691 -23.551 242 1HA GLY 33 2HA GLY 33 -0.119 11.698 -21.586 243 2HA GLY 33 1HA GLY 33 0.619 11.786 -23.186 244 H ALA 34 H ALA 34 -0.682 13.995 -22.633 245 HA ALA 34 HA ALA 34 -3.240 13.753 -24.152 246 1HB ALA 34 1HB ALA 34 -3.665 15.925 -22.507 247 2HB ALA 34 2HB ALA 34 -2.801 14.816 -21.442 248 3HB ALA 34 3HB ALA 34 -4.300 14.306 -22.218 249 HA PRO 35 HA PRO 35 -0.069 16.549 -26.199 250 1HB PRO 35 2HB PRO 35 -2.041 15.866 -28.343 251 2HB PRO 35 1HB PRO 35 -0.272 15.960 -28.428 252 1HG PRO 35 2HG PRO 35 -1.562 13.621 -28.305 253 2HG PRO 35 1HG PRO 35 0.019 13.871 -27.546 254 1HD PRO 35 2HD PRO 35 -2.638 13.562 -26.268 255 2HD PRO 35 1HD PRO 35 -1.020 13.267 -25.594 256 H ALA 36 H ALA 36 -3.572 16.600 -25.952 257 HA ALA 36 HA ALA 36 -4.312 18.957 -27.195 258 1HB ALA 36 1HB ALA 36 -6.035 19.219 -25.476 259 2HB ALA 36 2HB ALA 36 -5.144 18.150 -24.391 260 3HB ALA 36 3HB ALA 36 -5.851 17.510 -25.875 261 H CYS 37 H CYS 37 -2.933 18.739 -23.894 262 HA CYS 37 HA CYS 37 -2.224 21.634 -24.149 263 1HB CYS 37 2HB CYS 37 -2.474 21.866 -21.804 264 2HB CYS 37 1HB CYS 37 -3.839 20.859 -22.288 265 HG CYS 37 HG CYS 37 -1.561 19.980 -20.480 266 H GLY 38 H GLY 38 -1.040 18.408 -23.569 267 1HA GLY 38 2HA GLY 38 1.326 17.948 -24.077 268 2HA GLY 38 1HA GLY 38 1.722 19.536 -23.417 269 H ASP 39 H ASP 39 -0.337 16.938 -22.090 270 HA ASP 39 HA ASP 39 1.339 17.056 -19.620 271 1HB ASP 39 2HB ASP 39 -0.982 17.618 -19.190 272 2HB ASP 39 1HB ASP 39 -1.532 16.179 -20.050 273 H VAL 40 H VAL 40 2.377 15.205 -18.944 274 HA VAL 40 HA VAL 40 1.975 12.773 -20.631 275 HB VAL 40 HB VAL 40 4.239 12.170 -20.138 276 1HG1 VAL 40 1HG1 VAL 40 3.771 14.179 -21.703 277 2HG1 VAL 40 2HG1 VAL 40 5.426 13.954 -21.136 278 3HG1 VAL 40 3HG1 VAL 40 4.395 15.173 -20.386 279 1HG2 VAL 40 1HG2 VAL 40 3.921 14.212 -17.955 280 2HG2 VAL 40 2HG2 VAL 40 5.531 13.837 -18.569 281 3HG2 VAL 40 3HG2 VAL 40 4.542 12.565 -17.852 282 H MET 41 H MET 41 1.397 10.857 -19.634 283 HA MET 41 HA MET 41 1.389 10.790 -16.654 284 1HB MET 41 2HB MET 41 -0.865 11.355 -17.039 285 2HB MET 41 1HB MET 41 -0.954 10.379 -18.506 286 1HG MET 41 2HG MET 41 -1.302 8.429 -17.352 287 2HG MET 41 1HG MET 41 -0.289 8.929 -15.998 288 1HE MET 41 1HE MET 41 -2.432 7.347 -15.605 289 2HE MET 41 2HE MET 41 -3.932 7.976 -14.930 290 3HE MET 41 3HE MET 41 -2.437 8.107 -14.009 291 H GLN 42 H GLN 42 2.229 8.890 -15.928 292 HA GLN 42 HA GLN 42 2.322 6.601 -17.855 293 1HB GLN 42 2HB GLN 42 4.570 7.156 -17.551 294 2HB GLN 42 1HB GLN 42 4.324 7.654 -15.877 295 1HG GLN 42 2HG GLN 42 4.319 5.464 -15.082 296 2HG GLN 42 1HG GLN 42 3.834 4.793 -16.640 297 1HE2 GLN 42 1HE2 GLN 42 6.598 6.757 -15.372 298 2HE2 GLN 42 2HE2 GLN 42 7.788 5.872 -16.196 299 H LEU 43 H LEU 43 1.715 4.566 -17.060 300 HA LEU 43 HA LEU 43 1.100 4.284 -14.181 301 1HB LEU 43 2HB LEU 43 -0.970 5.220 -15.174 302 2HB LEU 43 1HB LEU 43 -1.003 3.893 -16.334 303 HG LEU 43 HG LEU 43 -0.889 2.385 -14.179 304 1HD1 LEU 43 1HD1 LEU 43 -2.529 4.424 -12.846 305 2HD1 LEU 43 2HD1 LEU 43 -0.828 4.870 -12.976 306 3HD1 LEU 43 3HD1 LEU 43 -1.287 3.366 -12.176 307 1HD2 LEU 43 1HD2 LEU 43 -2.782 2.417 -15.731 308 2HD2 LEU 43 2HD2 LEU 43 -3.366 3.922 -15.023 309 3HD2 LEU 43 3HD2 LEU 43 -3.382 2.436 -14.073 310 H GLN 44 H GLN 44 1.917 2.336 -13.618 311 HA GLN 44 HA GLN 44 1.924 0.169 -15.684 312 1HB GLN 44 2HB GLN 44 3.798 -0.048 -13.401 313 2HB GLN 44 1HB GLN 44 4.062 -0.393 -15.110 314 1HG GLN 44 2HG GLN 44 4.257 1.988 -15.604 315 2HG GLN 44 1HG GLN 44 3.879 2.394 -13.929 316 1HE2 GLN 44 1HE2 GLN 44 5.560 -0.174 -13.218 317 2HE2 GLN 44 2HE2 GLN 44 7.156 0.403 -13.263 318 H ILE 45 H ILE 45 1.552 -2.008 -14.854 319 HA ILE 45 HA ILE 45 0.228 -2.048 -12.172 320 HB ILE 45 HB ILE 45 -1.213 -3.919 -13.361 321 1HG1 ILE 45 2HG1 ILE 45 -0.935 -2.139 -15.739 322 2HG1 ILE 45 1HG1 ILE 45 0.338 -3.333 -15.481 323 1HG2 ILE 45 1HG2 ILE 45 -1.570 -0.931 -13.733 324 2HG2 ILE 45 2HG2 ILE 45 -2.191 -1.919 -12.410 325 3HG2 ILE 45 3HG2 ILE 45 -2.840 -2.117 -14.038 326 1HD1 ILE 45 1HD1 ILE 45 -1.093 -5.130 -15.774 327 2HD1 ILE 45 2HD1 ILE 45 -1.853 -3.956 -16.849 328 3HD1 ILE 45 3HD1 ILE 45 -2.508 -4.224 -15.233 329 H LYS 46 H LYS 46 1.128 -3.549 -10.849 330 HA LYS 46 HA LYS 46 2.877 -5.624 -12.072 331 1HB LYS 46 2HB LYS 46 3.964 -4.303 -10.354 332 2HB LYS 46 1HB LYS 46 2.635 -4.590 -9.231 333 1HG LYS 46 2HG LYS 46 3.281 -6.766 -8.803 334 2HG LYS 46 1HG LYS 46 4.011 -6.973 -10.396 335 1HD LYS 46 2HD LYS 46 6.028 -6.177 -9.714 336 2HD LYS 46 1HD LYS 46 5.301 -4.917 -8.718 337 1HE LYS 46 2HE LYS 46 6.572 -6.899 -7.557 338 2HE LYS 46 1HE LYS 46 5.048 -6.330 -6.876 339 1HZ LYS 46 1HZ LYS 46 4.848 -8.371 -8.934 340 2HZ LYS 46 2HZ LYS 46 3.970 -8.188 -7.491 341 3HZ LYS 46 3HZ LYS 46 5.525 -8.873 -7.463 342 H VAL 47 H VAL 47 1.881 -7.555 -12.406 343 HA VAL 47 HA VAL 47 -0.106 -8.455 -10.356 344 HB VAL 47 HB VAL 47 -0.278 -9.608 -13.080 345 1HG1 VAL 47 1HG1 VAL 47 -2.632 -9.541 -12.596 346 2HG1 VAL 47 2HG1 VAL 47 -2.390 -8.387 -11.286 347 3HG1 VAL 47 3HG1 VAL 47 -1.823 -10.047 -11.113 348 1HG2 VAL 47 1HG2 VAL 47 -1.463 -7.648 -13.982 349 2HG2 VAL 47 2HG2 VAL 47 0.197 -7.218 -13.565 350 3HG2 VAL 47 3HG2 VAL 47 -1.130 -6.752 -12.499 351 H ASP 48 H ASP 48 0.454 -10.331 -9.359 352 HA ASP 48 HA ASP 48 1.939 -12.415 -10.791 353 1HB ASP 48 2HB ASP 48 3.173 -10.899 -8.478 354 2HB ASP 48 1HB ASP 48 3.761 -12.461 -9.046 355 H ASP 49 H ASP 49 0.468 -11.218 -7.815 356 HA ASP 49 HA ASP 49 0.490 -13.677 -6.365 357 1HB ASP 49 2HB ASP 49 -0.947 -11.097 -6.210 358 2HB ASP 49 1HB ASP 49 -1.808 -12.468 -5.511 359 H ASN 50 H ASN 50 -0.041 -14.519 -8.889 360 HA ASN 50 HA ASN 50 -1.488 -16.104 -9.886 361 1HB ASN 50 2HB ASN 50 -3.715 -15.425 -8.005 362 2HB ASN 50 1HB ASN 50 -3.249 -16.991 -8.668 363 1HD2 ASN 50 1HD2 ASN 50 -3.204 -15.215 -5.826 364 2HD2 ASN 50 2HD2 ASN 50 -1.919 -15.998 -5.041 365 H GLY 51 H GLY 51 -1.243 -13.717 -11.076 366 1HA GLY 51 2HA GLY 51 -2.344 -12.358 -12.650 367 2HA GLY 51 1HA GLY 51 -3.779 -13.356 -12.407 368 H ILE 52 H ILE 52 -2.392 -12.023 -9.564 369 HA ILE 52 HA ILE 52 -4.665 -10.096 -9.405 370 HB ILE 52 HB ILE 52 -2.934 -11.196 -7.170 371 1HG1 ILE 52 2HG1 ILE 52 -4.527 -12.777 -8.568 372 2HG1 ILE 52 1HG1 ILE 52 -4.522 -12.864 -6.806 373 1HG2 ILE 52 1HG2 ILE 52 -5.327 -9.386 -7.328 374 2HG2 ILE 52 2HG2 ILE 52 -3.874 -9.228 -6.340 375 3HG2 ILE 52 3HG2 ILE 52 -5.107 -10.414 -5.911 376 1HD1 ILE 52 1HD1 ILE 52 -6.802 -12.621 -8.157 377 2HD1 ILE 52 2HD1 ILE 52 -6.373 -10.911 -8.112 378 3HD1 ILE 52 3HD1 ILE 52 -6.573 -11.811 -6.608 379 H ILE 53 H ILE 53 -4.230 -7.921 -9.220 380 HA ILE 53 HA ILE 53 -1.614 -6.931 -9.827 381 HB ILE 53 HB ILE 53 -4.126 -5.635 -8.762 382 1HG1 ILE 53 2HG1 ILE 53 -2.632 -5.098 -11.332 383 2HG1 ILE 53 1HG1 ILE 53 -3.779 -6.432 -11.200 384 1HG2 ILE 53 1HG2 ILE 53 -2.624 -3.520 -9.529 385 2HG2 ILE 53 2HG2 ILE 53 -1.356 -4.568 -8.894 386 3HG2 ILE 53 3HG2 ILE 53 -2.700 -4.084 -7.859 387 1HD1 ILE 53 1HD1 ILE 53 -5.098 -4.648 -12.001 388 2HD1 ILE 53 2HD1 ILE 53 -4.304 -3.474 -10.952 389 3HD1 ILE 53 3HD1 ILE 53 -5.420 -4.655 -10.267 390 H GLU 54 H GLU 54 -0.342 -8.101 -8.190 391 HA GLU 54 HA GLU 54 -0.595 -7.942 -5.416 392 1HB GLU 54 2HB GLU 54 1.146 -9.254 -6.636 393 2HB GLU 54 1HB GLU 54 2.013 -7.749 -6.948 394 1HG GLU 54 2HG GLU 54 2.081 -7.356 -4.464 395 2HG GLU 54 1HG GLU 54 1.398 -8.967 -4.243 396 H ASP 55 H ASP 55 0.243 -5.385 -7.626 397 HA ASP 55 HA ASP 55 0.038 -3.407 -5.521 398 1HB ASP 55 2HB ASP 55 2.246 -3.916 -4.880 399 2HB ASP 55 1HB ASP 55 2.760 -4.199 -6.544 400 H ALA 56 H ALA 56 0.254 -1.200 -6.402 401 HA ALA 56 HA ALA 56 0.075 -1.150 -9.389 402 1HB ALA 56 1HB ALA 56 -2.128 -0.685 -8.819 403 2HB ALA 56 2HB ALA 56 -1.450 0.943 -8.816 404 3HB ALA 56 3HB ALA 56 -1.681 0.082 -7.294 405 H LYS 57 H LYS 57 1.366 0.358 -10.371 406 HA LYS 57 HA LYS 57 2.769 2.309 -8.586 407 1HB LYS 57 2HB LYS 57 3.981 0.335 -9.979 408 2HB LYS 57 1HB LYS 57 3.960 1.593 -11.216 409 1HG LYS 57 2HG LYS 57 4.791 3.086 -9.151 410 2HG LYS 57 1HG LYS 57 5.404 1.524 -8.607 411 1HD LYS 57 2HD LYS 57 6.151 1.485 -11.234 412 2HD LYS 57 1HD LYS 57 6.283 3.206 -10.873 413 1HE LYS 57 2HE LYS 57 7.589 2.531 -8.784 414 2HE LYS 57 1HE LYS 57 7.669 0.911 -9.476 415 1HZ LYS 57 1HZ LYS 57 9.215 1.543 -10.922 416 2HZ LYS 57 2HZ LYS 57 9.384 2.959 -9.998 417 3HZ LYS 57 3HZ LYS 57 8.368 2.946 -11.360 418 H PHE 58 H PHE 58 2.913 4.459 -9.326 419 HA PHE 58 HA PHE 58 1.713 5.080 -11.970 420 1HB PHE 58 2HB PHE 58 0.218 6.759 -11.010 421 2HB PHE 58 1HB PHE 58 -0.124 5.186 -10.292 422 HD1 PHE 58 HD1 PHE 58 1.305 8.528 -9.721 423 HD2 PHE 58 HD2 PHE 58 0.507 4.683 -7.981 424 HE1 PHE 58 HE1 PHE 58 1.751 9.457 -7.466 425 HE2 PHE 58 HE2 PHE 58 0.954 5.612 -5.725 426 HZ PHE 58 HZ PHE 58 1.574 8.000 -5.467 427 H LYS 59 H LYS 59 1.978 7.519 -12.403 428 HA LYS 59 HA LYS 59 3.944 9.022 -10.930 429 1HB LYS 59 2HB LYS 59 5.271 7.113 -12.125 430 2HB LYS 59 1HB LYS 59 4.983 8.056 -13.588 431 1HG LYS 59 2HG LYS 59 5.844 10.058 -12.087 432 2HG LYS 59 1HG LYS 59 6.610 8.760 -11.171 433 1HD LYS 59 2HD LYS 59 6.889 9.026 -14.172 434 2HD LYS 59 1HD LYS 59 8.024 9.760 -13.040 435 1HE LYS 59 2HE LYS 59 7.331 6.811 -13.041 436 2HE LYS 59 1HE LYS 59 8.731 7.487 -13.874 437 1HZ LYS 59 1HZ LYS 59 8.768 6.652 -11.344 438 2HZ LYS 59 2HZ LYS 59 8.413 8.296 -11.111 439 3HZ LYS 59 3HZ LYS 59 9.813 7.839 -11.957 440 H THR 60 H THR 60 2.524 10.756 -11.255 441 HA THR 60 HA THR 60 2.163 11.608 -14.101 442 HB THR 60 HB THR 60 -0.016 12.163 -13.680 443 HG1 THR 60 HG1 THR 60 1.040 12.977 -11.221 444 1HG2 THR 60 1HG2 THR 60 -1.080 10.591 -12.219 445 2HG2 THR 60 2HG2 THR 60 0.367 10.443 -11.223 446 3HG2 THR 60 3HG2 THR 60 0.352 9.786 -12.860 447 H TYR 61 H TYR 61 2.452 13.838 -14.551 448 HA TYR 61 HA TYR 61 3.227 15.654 -12.366 449 1HB TYR 61 2HB TYR 61 5.255 14.218 -13.473 450 2HB TYR 61 1HB TYR 61 5.207 15.599 -14.570 451 HD1 TYR 61 HD1 TYR 61 4.990 14.903 -10.885 452 HD2 TYR 61 HD2 TYR 61 6.469 17.471 -13.995 453 HE1 TYR 61 HE1 TYR 61 6.145 16.292 -9.186 454 HE2 TYR 61 HE2 TYR 61 7.625 18.860 -12.295 455 HH TYR 61 HH TYR 61 6.934 18.881 -9.159 456 H GLY 62 H GLY 62 3.062 17.852 -13.007 457 1HA GLY 62 2HA GLY 62 3.025 19.344 -15.121 458 2HA GLY 62 1HA GLY 62 1.770 18.232 -15.674 459 H CYS 63 H CYS 63 -0.154 18.017 -14.168 460 HA CYS 63 HA CYS 63 -0.715 20.656 -12.874 461 1HB CYS 63 2HB CYS 63 -2.897 20.600 -13.683 462 2HB CYS 63 1HB CYS 63 -2.036 19.816 -15.008 463 HG CYS 63 HG CYS 63 -2.832 17.662 -13.127 464 H GLY 64 H GLY 64 -0.943 20.513 -10.702 465 1HA GLY 64 2HA GLY 64 -0.814 18.115 -9.223 466 2HA GLY 64 1HA GLY 64 -1.442 19.634 -8.583 467 H SER 65 H SER 65 -3.382 19.263 -11.103 468 HA SER 65 HA SER 65 -5.462 17.923 -9.471 469 1HB SER 65 2HB SER 65 -5.422 19.990 -11.510 470 2HB SER 65 1HB SER 65 -6.577 18.724 -11.922 471 HG SER 65 HG SER 65 -6.389 20.134 -9.460 472 H ALA 66 H ALA 66 -3.144 16.757 -11.334 473 HA ALA 66 HA ALA 66 -4.875 14.946 -12.942 474 1HB ALA 66 1HB ALA 66 -3.145 15.792 -14.306 475 2HB ALA 66 2HB ALA 66 -2.554 14.201 -13.830 476 3HB ALA 66 3HB ALA 66 -1.942 15.645 -13.024 477 H ILE 67 H ILE 67 -3.474 15.055 -9.926 478 HA ILE 67 HA ILE 67 -2.778 12.173 -9.857 479 HB ILE 67 HB ILE 67 -2.633 14.263 -7.663 480 1HG1 ILE 67 2HG1 ILE 67 -0.057 13.592 -8.388 481 2HG1 ILE 67 1HG1 ILE 67 -0.889 13.608 -9.944 482 1HG2 ILE 67 1HG2 ILE 67 -0.788 12.227 -7.196 483 2HG2 ILE 67 2HG2 ILE 67 -2.219 11.372 -7.771 484 3HG2 ILE 67 3HG2 ILE 67 -2.332 12.433 -6.367 485 1HD1 ILE 67 1HD1 ILE 67 -0.329 15.848 -9.767 486 2HD1 ILE 67 2HD1 ILE 67 -0.446 15.846 -8.008 487 3HD1 ILE 67 3HD1 ILE 67 -1.912 15.865 -8.989 488 H ALA 68 H ALA 68 -5.317 14.373 -8.933 489 HA ALA 68 HA ALA 68 -6.601 12.963 -6.871 490 1HB ALA 68 1HB ALA 68 -8.756 13.857 -8.147 491 2HB ALA 68 2HB ALA 68 -7.553 14.739 -9.088 492 3HB ALA 68 3HB ALA 68 -7.655 14.975 -7.343 493 H SER 69 H SER 69 -6.968 12.517 -10.399 494 HA SER 69 HA SER 69 -8.718 10.213 -10.054 495 1HB SER 69 2HB SER 69 -9.126 10.575 -12.240 496 2HB SER 69 1HB SER 69 -7.985 11.916 -12.182 497 HG SER 69 HG SER 69 -6.642 10.741 -13.278 498 H SER 70 H SER 70 -5.337 10.636 -11.157 499 HA SER 70 HA SER 70 -4.649 7.954 -11.541 500 1HB SER 70 2HB SER 70 -3.154 9.960 -11.902 501 2HB SER 70 1HB SER 70 -2.870 9.984 -10.164 502 HG SER 70 HG SER 70 -2.569 7.496 -11.183 503 H SER 71 H SER 71 -4.883 9.747 -8.487 504 HA SER 71 HA SER 71 -3.885 7.562 -6.867 505 1HB SER 71 2HB SER 71 -3.955 10.010 -6.186 506 2HB SER 71 1HB SER 71 -5.693 9.823 -5.973 507 HG SER 71 HG SER 71 -3.996 7.946 -4.788 508 H LEU 72 H LEU 72 -7.105 8.687 -7.847 509 HA LEU 72 HA LEU 72 -8.631 6.909 -6.224 510 1HB LEU 72 2HB LEU 72 -9.585 8.828 -7.505 511 2HB LEU 72 1HB LEU 72 -9.312 7.930 -8.999 512 HG LEU 72 HG LEU 72 -10.752 6.096 -8.120 513 1HD1 LEU 72 1HD1 LEU 72 -12.263 7.081 -6.134 514 2HD1 LEU 72 2HD1 LEU 72 -10.760 7.926 -5.764 515 3HD1 LEU 72 3HD1 LEU 72 -10.790 6.163 -5.817 516 1HD2 LEU 72 1HD2 LEU 72 -12.822 7.204 -8.572 517 2HD2 LEU 72 2HD2 LEU 72 -11.605 8.080 -9.499 518 3HD2 LEU 72 3HD2 LEU 72 -12.207 8.747 -7.981 519 H ILE 73 H ILE 73 -7.818 6.553 -9.701 520 HA ILE 73 HA ILE 73 -8.697 3.898 -9.998 521 HB ILE 73 HB ILE 73 -8.064 5.034 -11.984 522 1HG1 ILE 73 2HG1 ILE 73 -5.625 3.333 -11.783 523 2HG1 ILE 73 1HG1 ILE 73 -7.175 2.538 -11.503 524 1HG2 ILE 73 1HG2 ILE 73 -6.086 6.191 -10.369 525 2HG2 ILE 73 2HG2 ILE 73 -6.355 6.505 -12.082 526 3HG2 ILE 73 3HG2 ILE 73 -5.190 5.279 -11.584 527 1HD1 ILE 73 1HD1 ILE 73 -6.956 4.367 -13.856 528 2HD1 ILE 73 2HD1 ILE 73 -7.907 2.893 -13.664 529 3HD1 ILE 73 3HD1 ILE 73 -6.172 2.791 -13.963 530 H THR 74 H THR 74 -5.310 4.910 -9.401 531 HA THR 74 HA THR 74 -4.121 2.455 -8.996 532 HB THR 74 HB THR 74 -2.794 3.683 -7.111 533 HG1 THR 74 HG1 THR 74 -3.204 6.063 -7.660 534 1HG2 THR 74 1HG2 THR 74 -2.983 4.368 -10.021 535 2HG2 THR 74 2HG2 THR 74 -1.684 3.559 -9.145 536 3HG2 THR 74 3HG2 THR 74 -1.897 5.303 -8.994 537 H GLU 75 H GLU 75 -6.365 4.084 -6.815 538 HA GLU 75 HA GLU 75 -5.964 2.009 -4.746 539 1HB GLU 75 2HB GLU 75 -6.277 4.315 -3.993 540 2HB GLU 75 1HB GLU 75 -7.812 4.411 -4.856 541 1HG GLU 75 2HG GLU 75 -8.905 3.023 -3.349 542 2HG GLU 75 1HG GLU 75 -7.418 2.207 -2.864 543 H TRP 76 H TRP 76 -7.879 2.468 -7.513 544 HA TRP 76 HA TRP 76 -10.125 0.846 -6.462 545 1HB TRP 76 2HB TRP 76 -9.870 2.839 -8.470 546 2HB TRP 76 1HB TRP 76 -10.295 1.341 -9.296 547 HD1 TRP 76 HD1 TRP 76 -11.442 3.140 -6.056 548 HE1 TRP 76 HE1 TRP 76 -14.010 2.970 -5.917 549 HE3 TRP 76 HE3 TRP 76 -12.381 0.463 -10.304 550 HZ2 TRP 76 HZ2 TRP 76 -16.177 1.847 -7.409 551 HZ3 TRP 76 HZ3 TRP 76 -14.704 -0.143 -10.920 552 HH2 TRP 76 HH2 TRP 76 -16.602 0.545 -9.480 553 H VAL 77 H VAL 77 -7.181 0.455 -8.192 554 HA VAL 77 HA VAL 77 -8.031 -2.311 -8.954 555 HB VAL 77 HB VAL 77 -6.435 -2.187 -10.822 556 1HG1 VAL 77 1HG1 VAL 77 -7.623 -0.433 -12.157 557 2HG1 VAL 77 2HG1 VAL 77 -8.385 0.130 -10.670 558 3HG1 VAL 77 3HG1 VAL 77 -8.724 -1.491 -11.274 559 1HG2 VAL 77 1HG2 VAL 77 -4.711 -0.746 -10.370 560 2HG2 VAL 77 2HG2 VAL 77 -5.733 0.343 -9.432 561 3HG2 VAL 77 3HG2 VAL 77 -5.755 0.413 -11.194 562 H LYS 78 H LYS 78 -6.962 -1.640 -6.400 563 HA LYS 78 HA LYS 78 -4.119 -2.485 -6.530 564 1HB LYS 78 2HB LYS 78 -5.377 -0.662 -4.923 565 2HB LYS 78 1HB LYS 78 -5.378 -2.090 -3.887 566 1HG LYS 78 2HG LYS 78 -2.852 -2.252 -4.748 567 2HG LYS 78 1HG LYS 78 -3.072 -0.512 -4.936 568 1HD LYS 78 2HD LYS 78 -3.707 -0.283 -2.606 569 2HD LYS 78 1HD LYS 78 -3.692 -2.032 -2.389 570 1HE LYS 78 2HE LYS 78 -1.517 -1.894 -1.828 571 2HE LYS 78 1HE LYS 78 -1.169 -1.357 -3.472 572 1HZ LYS 78 1HZ LYS 78 -0.748 0.669 -2.726 573 2HZ LYS 78 2HZ LYS 78 -0.943 0.111 -1.134 574 3HZ LYS 78 3HZ LYS 78 -2.264 0.770 -1.974 575 H GLY 79 H GLY 79 -3.743 -4.644 -6.488 576 1HA GLY 79 2HA GLY 79 -3.915 -6.901 -5.862 577 2HA GLY 79 1HA GLY 79 -4.828 -6.358 -4.454 578 H LYS 80 H LYS 80 -6.371 -5.037 -7.032 579 HA LYS 80 HA LYS 80 -8.592 -6.897 -6.843 580 1HB LYS 80 2HB LYS 80 -8.032 -4.488 -8.585 581 2HB LYS 80 1HB LYS 80 -9.506 -5.443 -8.745 582 1HG LYS 80 2HG LYS 80 -8.954 -4.798 -5.959 583 2HG LYS 80 1HG LYS 80 -9.083 -3.342 -6.946 584 1HD LYS 80 2HD LYS 80 -11.113 -5.562 -7.166 585 2HD LYS 80 1HD LYS 80 -11.267 -4.300 -5.944 586 1HE LYS 80 2HE LYS 80 -10.656 -3.231 -8.601 587 2HE LYS 80 1HE LYS 80 -12.178 -4.122 -8.556 588 1HZ LYS 80 1HZ LYS 80 -11.924 -1.572 -7.817 589 2HZ LYS 80 2HZ LYS 80 -11.714 -2.342 -6.318 590 3HZ LYS 80 3HZ LYS 80 -13.126 -2.609 -7.223 591 H SER 81 H SER 81 -9.563 -7.345 -9.305 592 HA SER 81 HA SER 81 -7.466 -9.067 -10.534 593 1HB SER 81 2HB SER 81 -10.486 -9.122 -10.588 594 2HB SER 81 1HB SER 81 -9.518 -10.077 -11.709 595 HG SER 81 HG SER 81 -8.683 -10.242 -9.107 596 H LEU 82 H LEU 82 -7.365 -9.139 -12.913 597 HA LEU 82 HA LEU 82 -7.387 -6.495 -14.074 598 1HB LEU 82 2HB LEU 82 -6.968 -9.254 -15.245 599 2HB LEU 82 1HB LEU 82 -6.866 -7.781 -16.211 600 HG LEU 82 HG LEU 82 -5.302 -7.984 -13.655 601 1HD1 LEU 82 1HD1 LEU 82 -3.453 -9.028 -14.796 602 2HD1 LEU 82 2HD1 LEU 82 -4.305 -8.973 -16.340 603 3HD1 LEU 82 3HD1 LEU 82 -4.869 -10.047 -15.059 604 1HD2 LEU 82 1HD2 LEU 82 -5.632 -5.915 -15.264 605 2HD2 LEU 82 2HD2 LEU 82 -4.414 -6.737 -16.238 606 3HD2 LEU 82 3HD2 LEU 82 -4.041 -6.256 -14.583 607 H GLU 83 H GLU 83 -9.774 -8.939 -13.744 608 HA GLU 83 HA GLU 83 -11.323 -8.352 -16.106 609 1HB GLU 83 2HB GLU 83 -11.543 -10.405 -14.605 610 2HB GLU 83 1HB GLU 83 -12.411 -9.369 -13.472 611 1HG GLU 83 2HG GLU 83 -14.144 -8.923 -15.059 612 2HG GLU 83 1HG GLU 83 -13.207 -9.627 -16.378 613 H GLU 84 H GLU 84 -10.995 -6.844 -12.976 614 HA GLU 84 HA GLU 84 -13.387 -5.156 -13.431 615 1HB GLU 84 2HB GLU 84 -11.515 -5.620 -11.125 616 2HB GLU 84 1HB GLU 84 -12.491 -4.151 -11.172 617 1HG GLU 84 2HG GLU 84 -14.527 -5.574 -11.486 618 2HG GLU 84 1HG GLU 84 -13.515 -7.003 -11.278 619 H ALA 85 H ALA 85 -9.850 -4.834 -13.088 620 HA ALA 85 HA ALA 85 -9.817 -1.984 -13.508 621 1HB ALA 85 1HB ALA 85 -7.949 -3.435 -12.523 622 2HB ALA 85 2HB ALA 85 -7.446 -2.207 -13.684 623 3HB ALA 85 3HB ALA 85 -7.570 -3.893 -14.184 624 H GLY 86 H GLY 86 -9.902 -4.760 -15.639 625 1HA GLY 86 2HA GLY 86 -9.302 -3.108 -18.014 626 2HA GLY 86 1HA GLY 86 -9.608 -4.846 -18.013 627 H ALA 87 H ALA 87 -11.679 -2.494 -16.408 628 HA ALA 87 HA ALA 87 -13.602 -2.270 -18.551 629 1HB ALA 87 1HB ALA 87 -14.544 -3.999 -16.267 630 2HB ALA 87 2HB ALA 87 -13.803 -4.716 -17.698 631 3HB ALA 87 3HB ALA 87 -15.283 -3.771 -17.852 632 H ILE 88 H ILE 88 -12.208 -0.740 -16.369 633 HA ILE 88 HA ILE 88 -14.306 0.059 -14.504 634 HB ILE 88 HB ILE 88 -12.327 2.055 -14.548 635 1HG1 ILE 88 2HG1 ILE 88 -11.099 -0.703 -14.874 636 2HG1 ILE 88 1HG1 ILE 88 -11.049 0.569 -16.096 637 1HG2 ILE 88 1HG2 ILE 88 -11.739 1.152 -12.405 638 2HG2 ILE 88 2HG2 ILE 88 -12.308 -0.455 -12.855 639 3HG2 ILE 88 3HG2 ILE 88 -13.465 0.855 -12.611 640 1HD1 ILE 88 1HD1 ILE 88 -9.307 0.199 -13.854 641 2HD1 ILE 88 2HD1 ILE 88 -10.185 1.712 -13.629 642 3HD1 ILE 88 3HD1 ILE 88 -9.239 1.449 -15.095 643 H LYS 89 H LYS 89 -13.207 1.065 -17.655 644 HA LYS 89 HA LYS 89 -14.187 2.594 -19.150 645 1HB LYS 89 2HB LYS 89 -16.307 1.775 -17.743 646 2HB LYS 89 1HB LYS 89 -16.239 3.435 -17.148 647 1HG LYS 89 2HG LYS 89 -17.570 3.709 -19.034 648 2HG LYS 89 1HG LYS 89 -15.971 4.013 -19.713 649 1HD LYS 89 2HD LYS 89 -16.755 2.457 -21.237 650 2HD LYS 89 1HD LYS 89 -15.997 1.379 -20.065 651 1HE LYS 89 2HE LYS 89 -18.030 0.354 -20.044 652 2HE LYS 89 1HE LYS 89 -18.479 1.675 -18.966 653 1HZ LYS 89 1HZ LYS 89 -18.826 1.626 -21.914 654 2HZ LYS 89 2HZ LYS 89 -19.206 2.940 -20.907 655 3HZ LYS 89 3HZ LYS 89 -20.060 1.479 -20.760 656 H ASN 90 H ASN 90 -14.241 4.939 -19.445 657 HA ASN 90 HA ASN 90 -12.601 6.319 -17.400 658 1HB ASN 90 2HB ASN 90 -12.396 8.086 -19.164 659 2HB ASN 90 1HB ASN 90 -11.837 6.503 -19.705 660 1HD2 ASN 90 1HD2 ASN 90 -14.151 9.030 -20.302 661 2HD2 ASN 90 2HD2 ASN 90 -14.985 8.254 -21.560 662 H SER 91 H SER 91 -15.708 6.693 -19.099 663 HA SER 91 HA SER 91 -16.458 9.167 -17.892 664 1HB SER 91 2HB SER 91 -17.593 7.474 -19.743 665 2HB SER 91 1HB SER 91 -18.667 7.279 -18.360 666 HG SER 91 HG SER 91 -19.203 9.361 -18.466 667 H GLN 92 H GLN 92 -16.788 5.819 -16.793 668 HA GLN 92 HA GLN 92 -18.534 6.264 -14.602 669 1HB GLN 92 2HB GLN 92 -17.933 4.010 -15.333 670 2HB GLN 92 1HB GLN 92 -16.254 4.283 -14.871 671 1HG GLN 92 2HG GLN 92 -18.264 4.797 -12.754 672 2HG GLN 92 1HG GLN 92 -18.072 3.110 -13.233 673 1HE2 GLN 92 1HE2 GLN 92 -16.975 5.155 -10.941 674 2HE2 GLN 92 2HE2 GLN 92 -15.388 4.582 -10.742 675 H ILE 93 H ILE 93 -14.993 5.804 -14.299 676 HA ILE 93 HA ILE 93 -14.718 6.776 -11.694 677 HB ILE 93 HB ILE 93 -12.899 6.715 -14.074 678 1HG1 ILE 93 2HG1 ILE 93 -12.311 5.694 -11.313 679 2HG1 ILE 93 1HG1 ILE 93 -13.480 4.831 -12.313 680 1HG2 ILE 93 1HG2 ILE 93 -12.106 8.744 -13.204 681 2HG2 ILE 93 2HG2 ILE 93 -11.114 7.557 -12.357 682 3HG2 ILE 93 3HG2 ILE 93 -12.494 8.293 -11.544 683 1HD1 ILE 93 1HD1 ILE 93 -11.092 4.013 -12.532 684 2HD1 ILE 93 2HD1 ILE 93 -10.704 5.566 -13.271 685 3HD1 ILE 93 3HD1 ILE 93 -11.854 4.482 -14.052 686 H ALA 94 H ALA 94 -15.041 8.615 -14.694 687 HA ALA 94 HA ALA 94 -14.352 11.170 -13.546 688 1HB ALA 94 1HB ALA 94 -16.078 11.737 -15.630 689 2HB ALA 94 2HB ALA 94 -15.424 10.164 -16.085 690 3HB ALA 94 3HB ALA 94 -14.335 11.519 -15.782 691 H GLU 95 H GLU 95 -17.330 9.302 -13.731 692 HA GLU 95 HA GLU 95 -19.045 11.502 -12.905 693 1HB GLU 95 2HB GLU 95 -19.526 9.065 -14.023 694 2HB GLU 95 1HB GLU 95 -19.920 8.731 -12.337 695 1HG GLU 95 2HG GLU 95 -21.962 9.546 -13.050 696 2HG GLU 95 1HG GLU 95 -21.201 11.058 -12.551 697 H GLU 96 H GLU 96 -17.331 8.876 -11.254 698 HA GLU 96 HA GLU 96 -18.548 9.294 -8.681 699 1HB GLU 96 2HB GLU 96 -16.738 7.479 -9.760 700 2HB GLU 96 1HB GLU 96 -15.775 8.371 -8.582 701 1HG GLU 96 2HG GLU 96 -17.436 7.916 -6.838 702 2HG GLU 96 1HG GLU 96 -18.460 7.082 -8.008 703 H LEU 97 H LEU 97 -15.567 10.553 -10.175 704 HA LEU 97 HA LEU 97 -14.791 12.083 -7.845 705 1HB LEU 97 2HB LEU 97 -13.826 11.677 -10.577 706 2HB LEU 97 1HB LEU 97 -13.642 13.348 -10.040 707 HG LEU 97 HG LEU 97 -12.784 11.005 -8.333 708 1HD1 LEU 97 1HD1 LEU 97 -11.251 12.538 -10.444 709 2HD1 LEU 97 2HD1 LEU 97 -11.463 10.791 -10.315 710 3HD1 LEU 97 3HD1 LEU 97 -10.451 11.645 -9.149 711 1HD2 LEU 97 1HD2 LEU 97 -11.515 13.699 -8.259 712 2HD2 LEU 97 2HD2 LEU 97 -11.883 12.594 -6.936 713 3HD2 LEU 97 3HD2 LEU 97 -13.162 13.584 -7.638 714 H GLU 98 H GLU 98 -17.132 12.541 -10.315 715 HA GLU 98 HA GLU 98 -18.527 14.356 -10.835 716 1HB GLU 98 2HB GLU 98 -18.801 14.033 -8.263 717 2HB GLU 98 1HB GLU 98 -17.826 15.498 -8.138 718 1HG GLU 98 2HG GLU 98 -19.892 16.494 -8.270 719 2HG GLU 98 1HG GLU 98 -19.581 16.327 -9.998 720 H LEU 99 H LEU 99 -15.799 14.596 -11.677 721 HA LEU 99 HA LEU 99 -14.921 17.322 -11.043 722 1HB LEU 99 2HB LEU 99 -13.121 16.870 -12.664 723 2HB LEU 99 1HB LEU 99 -13.269 15.538 -11.518 724 HG LEU 99 HG LEU 99 -15.051 14.898 -13.584 725 1HD1 LEU 99 1HD1 LEU 99 -13.440 14.942 -15.558 726 2HD1 LEU 99 2HD1 LEU 99 -12.468 16.081 -14.626 727 3HD1 LEU 99 3HD1 LEU 99 -14.114 16.505 -15.096 728 1HD2 LEU 99 1HD2 LEU 99 -13.831 13.184 -12.508 729 2HD2 LEU 99 2HD2 LEU 99 -12.287 13.986 -12.791 730 3HD2 LEU 99 3HD2 LEU 99 -13.142 13.224 -14.132 731 HA PRO 100 HA PRO 100 -17.233 19.379 -14.178 732 1HB PRO 100 2HB PRO 100 -15.460 21.392 -14.822 733 2HB PRO 100 1HB PRO 100 -16.490 21.394 -13.379 734 1HG PRO 100 2HG PRO 100 -13.613 20.706 -13.650 735 2HG PRO 100 1HG PRO 100 -14.457 21.548 -12.340 736 1HD PRO 100 2HD PRO 100 -13.706 18.930 -12.161 737 2HD PRO 100 1HD PRO 100 -15.132 19.582 -11.325 738 HA PRO 101 HA PRO 101 -15.765 17.811 -18.066 739 1HB PRO 101 2HB PRO 101 -17.364 19.242 -19.757 740 2HB PRO 101 1HB PRO 101 -17.960 17.896 -18.766 741 1HG PRO 101 2HG PRO 101 -18.209 20.827 -18.326 742 2HG PRO 101 1HG PRO 101 -19.377 19.533 -18.014 743 1HD PRO 101 2HD PRO 101 -17.845 20.702 -16.049 744 2HD PRO 101 1HD PRO 101 -18.487 19.049 -15.945 745 H VAL 102 H VAL 102 -14.558 20.462 -16.890 746 HA VAL 102 HA VAL 102 -13.882 21.927 -19.349 747 HB VAL 102 HB VAL 102 -12.528 23.347 -17.824 748 1HG1 VAL 102 1HG1 VAL 102 -15.264 23.184 -18.014 749 2HG1 VAL 102 2HG1 VAL 102 -14.396 24.466 -17.168 750 3HG1 VAL 102 3HG1 VAL 102 -15.021 23.082 -16.270 751 1HG2 VAL 102 1HG2 VAL 102 -13.294 22.559 -15.286 752 2HG2 VAL 102 2HG2 VAL 102 -11.711 22.261 -16.005 753 3HG2 VAL 102 3HG2 VAL 102 -12.961 21.019 -16.081 754 H LYS 103 H LYS 103 -12.653 19.227 -17.652 755 HA LYS 103 HA LYS 103 -10.279 19.228 -19.413 756 1HB LYS 103 2HB LYS 103 -9.746 20.357 -17.136 757 2HB LYS 103 1HB LYS 103 -9.870 18.728 -16.469 758 1HG LYS 103 2HG LYS 103 -7.633 18.702 -17.005 759 2HG LYS 103 1HG LYS 103 -8.279 18.186 -18.563 760 1HD LYS 103 2HD LYS 103 -8.298 20.563 -19.309 761 2HD LYS 103 1HD LYS 103 -7.557 21.023 -17.777 762 1HE LYS 103 2HE LYS 103 -5.525 20.533 -18.604 763 2HE LYS 103 1HE LYS 103 -6.036 18.868 -18.882 764 1HZ LYS 103 1HZ LYS 103 -5.344 19.861 -20.942 765 2HZ LYS 103 2HZ LYS 103 -6.414 21.162 -20.728 766 3HZ LYS 103 3HZ LYS 103 -7.019 19.596 -20.993 767 H VAL 104 H VAL 104 -12.296 17.540 -19.848 768 HA VAL 104 HA VAL 104 -12.156 15.099 -18.280 769 HB VAL 104 HB VAL 104 -13.295 15.674 -21.032 770 1HG1 VAL 104 1HG1 VAL 104 -13.206 13.410 -21.242 771 2HG1 VAL 104 2HG1 VAL 104 -14.558 13.425 -20.111 772 3HG1 VAL 104 3HG1 VAL 104 -12.917 13.167 -19.520 773 1HG2 VAL 104 1HG2 VAL 104 -15.108 16.421 -19.917 774 2HG2 VAL 104 2HG2 VAL 104 -14.187 16.300 -18.419 775 3HG2 VAL 104 3HG2 VAL 104 -15.175 14.943 -18.958 776 H HIS 105 H HIS 105 -9.561 15.947 -19.091 777 HA HIS 105 HA HIS 105 -8.813 14.075 -21.271 778 1HB HIS 105 2HB HIS 105 -7.351 16.296 -19.835 779 2HB HIS 105 1HB HIS 105 -6.517 15.165 -20.900 780 HD2 HIS 105 HD2 HIS 105 -7.158 15.442 -23.673 781 HE1 HIS 105 HE1 HIS 105 -9.468 18.948 -23.214 782 HE2 HIS 105 HE2 HIS 105 -8.357 17.408 -24.898 783 H CYS 106 H CYS 106 -8.580 14.488 -17.807 784 HA CYS 106 HA CYS 106 -6.476 12.517 -17.436 785 1HB CYS 106 2HB CYS 106 -6.588 13.105 -15.237 786 2HB CYS 106 1HB CYS 106 -7.564 14.445 -15.838 787 HG CYS 106 HG CYS 106 -9.718 12.983 -15.292 788 H SER 107 H SER 107 -10.031 12.470 -17.119 789 HA SER 107 HA SER 107 -10.340 9.824 -16.208 790 1HB SER 107 2HB SER 107 -12.533 10.274 -16.511 791 2HB SER 107 1HB SER 107 -12.033 11.847 -17.125 792 HG SER 107 HG SER 107 -12.043 11.014 -19.192 793 H ILE 108 H ILE 108 -10.097 10.998 -19.574 794 HA ILE 108 HA ILE 108 -10.262 8.372 -20.746 795 HB ILE 108 HB ILE 108 -9.132 10.986 -21.785 796 1HG1 ILE 108 2HG1 ILE 108 -11.618 9.550 -22.705 797 2HG1 ILE 108 1HG1 ILE 108 -11.663 10.592 -21.281 798 1HG2 ILE 108 1HG2 ILE 108 -9.192 9.892 -24.009 799 2HG2 ILE 108 2HG2 ILE 108 -9.632 8.369 -23.238 800 3HG2 ILE 108 3HG2 ILE 108 -8.053 9.092 -22.926 801 1HD1 ILE 108 1HD1 ILE 108 -12.047 11.497 -23.820 802 2HD1 ILE 108 2HD1 ILE 108 -10.309 11.746 -23.648 803 3HD1 ILE 108 3HD1 ILE 108 -11.426 12.501 -22.509 804 H LEU 109 H LEU 109 -7.514 10.465 -19.855 805 HA LEU 109 HA LEU 109 -5.442 8.796 -20.842 806 1HB LEU 109 2HB LEU 109 -5.672 11.015 -18.928 807 2HB LEU 109 1HB LEU 109 -4.359 9.896 -18.556 808 HG LEU 109 HG LEU 109 -3.418 10.161 -20.766 809 1HD1 LEU 109 1HD1 LEU 109 -4.823 12.174 -22.034 810 2HD1 LEU 109 2HD1 LEU 109 -6.108 11.193 -21.330 811 3HD1 LEU 109 3HD1 LEU 109 -4.935 10.458 -22.424 812 1HD2 LEU 109 1HD2 LEU 109 -2.482 12.183 -20.310 813 2HD2 LEU 109 2HD2 LEU 109 -3.513 12.164 -18.880 814 3HD2 LEU 109 3HD2 LEU 109 -4.040 13.009 -20.337 815 H ALA 110 H ALA 110 -7.236 8.695 -17.786 816 HA ALA 110 HA ALA 110 -5.621 6.712 -16.503 817 1HB ALA 110 1HB ALA 110 -8.426 7.710 -16.184 818 2HB ALA 110 2HB ALA 110 -7.106 7.688 -15.014 819 3HB ALA 110 3HB ALA 110 -7.980 6.202 -15.384 820 H GLU 111 H GLU 111 -8.773 6.288 -18.168 821 HA GLU 111 HA GLU 111 -8.740 3.460 -18.179 822 1HB GLU 111 2HB GLU 111 -10.712 4.840 -18.814 823 2HB GLU 111 1HB GLU 111 -9.893 5.286 -20.312 824 1HG GLU 111 2HG GLU 111 -9.815 2.943 -21.006 825 2HG GLU 111 1HG GLU 111 -10.543 2.444 -19.478 826 H ASP 112 H ASP 112 -7.854 5.595 -20.927 827 HA ASP 112 HA ASP 112 -6.814 3.713 -22.669 828 1HB ASP 112 2HB ASP 112 -6.696 6.482 -22.467 829 2HB ASP 112 1HB ASP 112 -5.000 5.996 -22.420 830 H ALA 113 H ALA 113 -5.362 4.887 -19.682 831 HA ALA 113 HA ALA 113 -2.763 3.716 -20.116 832 1HB ALA 113 1HB ALA 113 -4.040 5.255 -18.091 833 2HB ALA 113 2HB ALA 113 -2.328 4.853 -18.223 834 3HB ALA 113 3HB ALA 113 -3.414 3.797 -17.320 835 H ILE 114 H ILE 114 -5.400 2.654 -17.922 836 HA ILE 114 HA ILE 114 -4.361 0.143 -17.261 837 HB ILE 114 HB ILE 114 -6.648 1.396 -16.636 838 1HG1 ILE 114 2HG1 ILE 114 -7.435 -0.845 -15.724 839 2HG1 ILE 114 1HG1 ILE 114 -6.090 -1.582 -16.595 840 1HG2 ILE 114 1HG2 ILE 114 -7.536 0.883 -18.969 841 2HG2 ILE 114 2HG2 ILE 114 -8.574 0.381 -17.635 842 3HG2 ILE 114 3HG2 ILE 114 -7.588 -0.811 -18.482 843 1HD1 ILE 114 1HD1 ILE 114 -5.201 0.732 -15.081 844 2HD1 ILE 114 2HD1 ILE 114 -4.616 -0.931 -15.020 845 3HD1 ILE 114 3HD1 ILE 114 -5.994 -0.444 -14.033 846 H LYS 115 H LYS 115 -5.560 1.241 -20.310 847 HA LYS 115 HA LYS 115 -5.988 -1.473 -21.363 848 1HB LYS 115 2HB LYS 115 -7.411 0.271 -22.245 849 2HB LYS 115 1HB LYS 115 -6.015 1.267 -22.660 850 1HG LYS 115 2HG LYS 115 -5.306 -0.289 -24.352 851 2HG LYS 115 1HG LYS 115 -6.488 -1.488 -23.823 852 1HD LYS 115 2HD LYS 115 -8.113 0.649 -24.302 853 2HD LYS 115 1HD LYS 115 -6.863 0.904 -25.521 854 1HE LYS 115 2HE LYS 115 -8.620 -0.494 -26.469 855 2HE LYS 115 1HE LYS 115 -7.161 -1.464 -26.261 856 1HZ LYS 115 1HZ LYS 115 -8.396 -2.853 -25.078 857 2HZ LYS 115 2HZ LYS 115 -9.722 -1.789 -25.071 858 3HZ LYS 115 3HZ LYS 115 -8.517 -1.659 -23.879 859 H ALA 116 H ALA 116 -3.785 1.233 -22.210 860 HA ALA 116 HA ALA 116 -2.088 -0.130 -23.954 861 1HB ALA 116 1HB ALA 116 -1.065 1.873 -23.858 862 2HB ALA 116 2HB ALA 116 -0.411 1.446 -22.276 863 3HB ALA 116 3HB ALA 116 -1.962 2.277 -22.394 864 H ALA 117 H ALA 117 -2.266 -0.356 -20.449 865 HA ALA 117 HA ALA 117 0.189 -1.910 -20.200 866 1HB ALA 117 1HB ALA 117 -0.458 -2.199 -17.885 867 2HB ALA 117 2HB ALA 117 -2.118 -1.719 -18.240 868 3HB ALA 117 3HB ALA 117 -0.815 -0.533 -18.340 869 H ILE 118 H ILE 118 -3.272 -2.751 -19.764 870 HA ILE 118 HA ILE 118 -3.039 -5.513 -19.536 871 HB ILE 118 HB ILE 118 -5.118 -3.832 -20.948 872 1HG1 ILE 118 2HG1 ILE 118 -5.135 -5.406 -18.351 873 2HG1 ILE 118 1HG1 ILE 118 -4.908 -3.661 -18.475 874 1HG2 ILE 118 1HG2 ILE 118 -6.349 -6.225 -20.429 875 2HG2 ILE 118 2HG2 ILE 118 -4.745 -6.761 -20.928 876 3HG2 ILE 118 3HG2 ILE 118 -5.714 -5.758 -22.007 877 1HD1 ILE 118 1HD1 ILE 118 -7.376 -5.289 -18.957 878 2HD1 ILE 118 2HD1 ILE 118 -7.159 -3.790 -19.861 879 3HD1 ILE 118 3HD1 ILE 118 -7.196 -3.759 -18.098 880 H ALA 119 H ALA 119 -2.672 -3.537 -22.427 881 HA ALA 119 HA ALA 119 -2.664 -5.789 -24.267 882 1HB ALA 119 1HB ALA 119 -2.360 -4.215 -25.921 883 2HB ALA 119 2HB ALA 119 -1.228 -3.267 -24.957 884 3HB ALA 119 3HB ALA 119 -2.961 -3.147 -24.653 885 H ASP 120 H ASP 120 -0.121 -3.767 -22.778 886 HA ASP 120 HA ASP 120 2.043 -5.310 -23.933 887 1HB ASP 120 2HB ASP 120 1.807 -3.199 -21.812 888 2HB ASP 120 1HB ASP 120 3.301 -4.130 -21.927 889 H TYR 121 H TYR 121 -0.225 -6.148 -21.690 890 HA TYR 121 HA TYR 121 1.657 -7.798 -20.071 891 1HB TYR 121 2HB TYR 121 0.213 -6.707 -18.584 892 2HB TYR 121 1HB TYR 121 -1.165 -6.836 -19.675 893 HD1 TYR 121 HD1 TYR 121 -2.653 -8.675 -19.550 894 HD2 TYR 121 HD2 TYR 121 1.126 -8.839 -17.515 895 HE1 TYR 121 HE1 TYR 121 -3.353 -10.768 -18.419 896 HE2 TYR 121 HE2 TYR 121 0.426 -10.932 -16.384 897 HH TYR 121 HH TYR 121 -1.666 -12.077 -15.771 898 H LYS 122 H LYS 122 -1.024 -7.988 -22.346 899 HA LYS 122 HA LYS 122 -1.034 -10.949 -22.145 900 1HB LYS 122 2HB LYS 122 -3.061 -9.121 -22.560 901 2HB LYS 122 1HB LYS 122 -2.737 -9.705 -24.192 902 1HG LYS 122 2HG LYS 122 -4.411 -11.140 -23.164 903 2HG LYS 122 1HG LYS 122 -2.911 -12.051 -23.337 904 1HD LYS 122 2HD LYS 122 -2.616 -12.224 -21.091 905 2HD LYS 122 1HD LYS 122 -3.129 -10.561 -20.804 906 1HE LYS 122 2HE LYS 122 -5.359 -11.135 -20.602 907 2HE LYS 122 1HE LYS 122 -5.203 -12.535 -21.662 908 1HZ LYS 122 1HZ LYS 122 -4.247 -13.799 -19.977 909 2HZ LYS 122 2HZ LYS 122 -5.492 -12.956 -19.185 910 3HZ LYS 122 3HZ LYS 122 -3.880 -12.446 -19.024 911 H ALA 123 H ALA 123 -0.100 -8.338 -24.308 912 HA ALA 123 HA ALA 123 0.371 -10.008 -26.618 913 1HB ALA 123 1HB ALA 123 1.853 -8.016 -27.302 914 2HB ALA 123 2HB ALA 123 1.314 -7.255 -25.806 915 3HB ALA 123 3HB ALA 123 0.139 -7.683 -27.050 916 H LYS 124 H LYS 124 2.088 -9.480 -23.681 917 HA LYS 124 HA LYS 124 4.691 -10.279 -24.795 918 1HB LYS 124 2HB LYS 124 3.821 -8.930 -22.469 919 2HB LYS 124 1HB LYS 124 4.551 -10.436 -21.913 920 1HG LYS 124 2HG LYS 124 6.371 -8.925 -22.048 921 2HG LYS 124 1HG LYS 124 6.487 -9.877 -23.529 922 1HD LYS 124 2HD LYS 124 4.880 -7.931 -24.435 923 2HD LYS 124 1HD LYS 124 5.703 -7.023 -23.166 924 1HE LYS 124 2HE LYS 124 7.106 -8.615 -25.333 925 2HE LYS 124 1HE LYS 124 6.879 -6.867 -25.359 926 1HZ LYS 124 1HZ LYS 124 8.517 -6.566 -23.900 927 2HZ LYS 124 2HZ LYS 124 8.979 -8.165 -24.245 928 3HZ LYS 124 3HZ LYS 124 7.998 -7.831 -22.898 929 H GLN 125 H GLN 125 1.964 -11.961 -24.291 930 HA GLN 125 HA GLN 125 3.299 -14.314 -23.046 931 1HB GLN 125 2HB GLN 125 0.915 -13.382 -22.408 932 2HB GLN 125 1HB GLN 125 0.404 -14.275 -23.841 933 1HG GLN 125 2HG GLN 125 1.176 -16.346 -22.954 934 2HG GLN 125 1HG GLN 125 2.091 -15.542 -21.678 935 1HE2 GLN 125 1HE2 GLN 125 -1.336 -15.605 -22.843 936 2HE2 GLN 125 2HE2 GLN 125 -2.010 -15.664 -21.286 937 H GLY 126 H GLY 126 2.164 -13.072 -26.071 938 1HA GLY 126 2HA GLY 126 2.124 -15.723 -27.359 939 2HA GLY 126 1HA GLY 126 1.811 -14.181 -28.157 940 H LEU 127 H LEU 127 4.357 -13.186 -26.713 941 HA LEU 127 HA LEU 127 6.150 -13.628 -28.933 942 1HB LEU 127 2HB LEU 127 6.003 -11.681 -27.114 943 2HB LEU 127 1HB LEU 127 7.176 -12.700 -26.280 944 HG LEU 127 HG LEU 127 8.362 -12.773 -28.623 945 1HD1 LEU 127 1HD1 LEU 127 6.416 -11.561 -29.708 946 2HD1 LEU 127 2HD1 LEU 127 7.995 -10.832 -30.001 947 3HD1 LEU 127 3HD1 LEU 127 6.904 -10.124 -28.811 948 1HD2 LEU 127 1HD2 LEU 127 9.451 -10.501 -28.011 949 2HD2 LEU 127 2HD2 LEU 127 9.517 -11.788 -26.806 950 3HD2 LEU 127 3HD2 LEU 127 8.332 -10.491 -26.648 951 H GLU 128 H GLU 128 5.412 -15.433 -26.124 952 HA GLU 128 HA GLU 128 6.536 -17.213 -25.045 953 1HB GLU 128 2HB GLU 128 5.764 -18.294 -27.096 954 2HB GLU 128 1HB GLU 128 7.180 -17.708 -27.969 955 1HG GLU 128 2HG GLU 128 8.114 -19.042 -25.628 956 2HG GLU 128 1HG GLU 128 6.925 -20.093 -26.399 957 H HIS 129 H HIS 129 8.161 -15.974 -23.931 958 HA HIS 129 HA HIS 129 10.513 -14.878 -24.839 959 1HB HIS 129 2HB HIS 129 9.667 -16.155 -22.340 960 2HB HIS 129 1HB HIS 129 11.406 -16.264 -22.612 961 HD2 HIS 129 HD2 HIS 129 9.093 -13.805 -21.025 962 HE1 HIS 129 HE1 HIS 129 12.164 -11.411 -22.660 963 HE2 HIS 129 HE2 HIS 129 10.192 -11.440 -21.064 964 H HIS 130 H HIS 130 11.227 -16.026 -26.729 965 HA HIS 130 HA HIS 130 12.349 -18.742 -26.233 966 1HB HIS 130 2HB HIS 130 10.787 -18.199 -28.231 967 2HB HIS 130 1HB HIS 130 12.190 -17.379 -28.919 968 HD2 HIS 130 HD2 HIS 130 11.783 -19.808 -30.756 969 HE1 HIS 130 HE1 HIS 130 14.133 -22.185 -28.176 970 HE2 HIS 130 HE2 HIS 130 13.124 -22.030 -30.498 971 H HIS 131 H HIS 131 14.083 -18.089 -28.723 972 HA HIS 131 HA HIS 131 16.544 -17.698 -27.502 973 1HB HIS 131 2HB HIS 131 16.002 -18.120 -30.001 974 2HB HIS 131 1HB HIS 131 15.927 -16.364 -30.138 975 HD2 HIS 131 HD2 HIS 131 18.572 -19.071 -30.320 976 HE1 HIS 131 HE1 HIS 131 20.660 -15.548 -29.286 977 HE2 HIS 131 HE2 HIS 131 20.913 -17.944 -30.080 978 H HIS 132 H HIS 132 17.903 -15.782 -27.240 979 HA HIS 132 HA HIS 132 16.307 -13.270 -26.907 980 1HB HIS 132 2HB HIS 132 18.577 -14.289 -25.167 981 2HB HIS 132 1HB HIS 132 17.756 -12.741 -24.970 982 HD2 HIS 132 HD2 HIS 132 14.710 -13.329 -24.787 983 HE1 HIS 132 HE1 HIS 132 15.546 -16.757 -22.467 984 HE2 HIS 132 HE2 HIS 132 13.735 -15.124 -23.165 985 H HIS 133 H HIS 133 17.791 -11.290 -26.903 986 HA HIS 133 HA HIS 133 20.258 -11.678 -28.507 987 1HB HIS 133 2HB HIS 133 18.551 -9.451 -29.435 988 2HB HIS 133 1HB HIS 133 19.520 -10.590 -30.369 989 HD2 HIS 133 HD2 HIS 133 18.185 -13.106 -30.918 990 HE1 HIS 133 HE1 HIS 133 14.355 -11.703 -29.822 991 HE2 HIS 133 HE2 HIS 133 15.622 -13.589 -30.948 992 H HIS 134 HN HIS 134 21.771 -9.991 -28.205 993 HA HIS 134 HA HIS 134 21.028 -8.046 -26.058 994 1HB HIS 134 2HB HIS 134 22.771 -9.544 -25.306 995 2HB HIS 134 1HB HIS 134 23.699 -9.283 -26.783 996 HD2 HIS 134 HD2 HIS 134 25.833 -8.086 -25.269 997 HE1 HIS 134 HE1 HIS 134 23.630 -4.662 -24.149 998 HE2 HIS 134 HE2 HIS 134 25.941 -5.707 -24.208 Start of MODEL 17 1 1H MET 1 1H MET 1 33.581 -7.707 -33.253 2 2H MET 1 2H MET 1 34.633 -6.646 -34.061 3 3H MET 1 3H MET 1 32.965 -6.601 -34.381 4 HA MET 1 HA MET 1 33.659 -4.753 -32.960 5 1HB MET 1 2HB MET 1 31.407 -6.140 -32.783 6 2HB MET 1 1HB MET 1 32.069 -6.597 -31.213 7 1HG MET 1 2HG MET 1 32.351 -4.210 -30.639 8 2HG MET 1 1HG MET 1 31.674 -3.756 -32.203 9 1HE MET 1 1HE MET 1 30.235 -2.383 -29.949 10 2HE MET 1 2HE MET 1 31.055 -3.529 -28.892 11 3HE MET 1 3HE MET 1 29.303 -3.373 -28.818 12 H ALA 2 H ALA 2 35.055 -4.099 -31.375 13 HA ALA 2 HA ALA 2 36.632 -6.175 -29.990 14 1HB ALA 2 1HB ALA 2 37.696 -4.147 -31.053 15 2HB ALA 2 2HB ALA 2 38.107 -4.368 -29.351 16 3HB ALA 2 3HB ALA 2 36.909 -3.161 -29.820 17 H TYR 3 H TYR 3 36.532 -6.556 -27.782 18 HA TYR 3 HA TYR 3 34.213 -5.399 -26.368 19 1HB TYR 3 2HB TYR 3 36.070 -7.710 -25.905 20 2HB TYR 3 1HB TYR 3 35.176 -7.045 -24.537 21 HD1 TYR 3 HD1 TYR 3 35.045 -9.339 -27.226 22 HD2 TYR 3 HD2 TYR 3 32.599 -6.608 -24.986 23 HE1 TYR 3 HE1 TYR 3 33.013 -10.556 -27.960 24 HE2 TYR 3 HE2 TYR 3 30.568 -7.826 -25.720 25 HH TYR 3 HH TYR 3 30.787 -10.567 -27.982 26 H SER 4 H SER 4 35.197 -3.220 -26.230 27 HA SER 4 HA SER 4 37.197 -3.074 -24.009 28 1HB SER 4 2HB SER 4 36.888 -1.063 -26.254 29 2HB SER 4 1HB SER 4 38.153 -1.105 -25.028 30 HG SER 4 HG SER 4 39.184 -2.366 -26.342 31 H GLU 5 H GLU 5 34.352 -3.139 -23.661 32 HA GLU 5 HA GLU 5 33.601 -0.317 -23.143 33 1HB GLU 5 2HB GLU 5 31.610 -2.165 -22.228 34 2HB GLU 5 1HB GLU 5 31.528 -1.061 -23.601 35 1HG GLU 5 2HG GLU 5 32.832 -2.779 -24.933 36 2HG GLU 5 1HG GLU 5 32.597 -3.893 -23.584 37 H LYS 6 H LYS 6 35.373 -0.272 -21.447 38 HA LYS 6 HA LYS 6 34.851 -1.796 -18.990 39 1HB LYS 6 2HB LYS 6 36.765 -0.388 -18.105 40 2HB LYS 6 1HB LYS 6 37.166 -1.372 -19.513 41 1HG LYS 6 2HG LYS 6 36.848 0.556 -20.988 42 2HG LYS 6 1HG LYS 6 36.360 1.550 -19.615 43 1HD LYS 6 2HD LYS 6 38.500 1.886 -18.955 44 2HD LYS 6 1HD LYS 6 38.930 0.193 -19.205 45 1HE LYS 6 2HE LYS 6 40.195 1.622 -20.750 46 2HE LYS 6 1HE LYS 6 39.067 0.605 -21.647 47 1HZ LYS 6 1HZ LYS 6 39.196 3.123 -22.152 48 2HZ LYS 6 2HZ LYS 6 38.235 3.284 -20.761 49 3HZ LYS 6 3HZ LYS 6 37.681 2.367 -22.079 50 H VAL 7 H VAL 7 32.979 0.359 -20.179 51 HA VAL 7 HA VAL 7 32.963 2.358 -18.006 52 HB VAL 7 HB VAL 7 30.996 3.279 -19.264 53 1HG1 VAL 7 1HG1 VAL 7 32.924 2.992 -21.443 54 2HG1 VAL 7 2HG1 VAL 7 33.702 3.353 -19.902 55 3HG1 VAL 7 3HG1 VAL 7 32.463 4.434 -20.539 56 1HG2 VAL 7 1HG2 VAL 7 31.661 1.359 -21.475 57 2HG2 VAL 7 2HG2 VAL 7 30.171 2.259 -21.194 58 3HG2 VAL 7 3HG2 VAL 7 30.551 0.850 -20.203 59 H ILE 8 H ILE 8 32.610 0.217 -16.610 60 HA ILE 8 HA ILE 8 29.820 -0.700 -16.565 61 HB ILE 8 HB ILE 8 31.908 -1.240 -14.450 62 1HG1 ILE 8 2HG1 ILE 8 31.514 -2.794 -17.025 63 2HG1 ILE 8 1HG1 ILE 8 32.830 -1.648 -16.765 64 1HG2 ILE 8 1HG2 ILE 8 30.620 -3.482 -14.543 65 2HG2 ILE 8 2HG2 ILE 8 29.410 -2.593 -15.469 66 3HG2 ILE 8 3HG2 ILE 8 29.796 -2.100 -13.821 67 1HD1 ILE 8 1HD1 ILE 8 33.987 -3.370 -15.874 68 2HD1 ILE 8 2HD1 ILE 8 32.549 -4.388 -15.799 69 3HD1 ILE 8 3HD1 ILE 8 32.896 -3.256 -14.493 70 H ASP 9 H ASP 9 30.694 2.183 -15.948 71 HA ASP 9 HA ASP 9 29.376 2.355 -13.266 72 1HB ASP 9 2HB ASP 9 30.612 4.705 -13.344 73 2HB ASP 9 1HB ASP 9 31.470 3.254 -12.823 74 H HIS 10 H HIS 10 30.072 4.716 -15.861 75 HA HIS 10 HA HIS 10 28.624 6.437 -16.631 76 1HB HIS 10 2HB HIS 10 28.234 4.321 -18.035 77 2HB HIS 10 1HB HIS 10 26.767 4.095 -17.083 78 HD2 HIS 10 HD2 HIS 10 24.638 5.782 -17.792 79 HE1 HIS 10 HE1 HIS 10 26.730 8.080 -20.653 80 HE2 HIS 10 HE2 HIS 10 24.451 7.610 -19.644 81 H TYR 11 H TYR 11 28.371 6.886 -14.119 82 HA TYR 11 HA TYR 11 25.519 6.478 -13.337 83 1HB TYR 11 2HB TYR 11 27.369 5.736 -11.766 84 2HB TYR 11 1HB TYR 11 27.795 7.438 -11.582 85 HD1 TYR 11 HD1 TYR 11 26.900 8.503 -9.724 86 HD2 TYR 11 HD2 TYR 11 24.665 5.354 -11.606 87 HE1 TYR 11 HE1 TYR 11 25.100 8.773 -8.039 88 HE2 TYR 11 HE2 TYR 11 22.865 5.624 -9.920 89 HH TYR 11 HH TYR 11 22.626 6.493 -7.612 90 H GLU 12 H GLU 12 25.542 8.336 -15.206 91 HA GLU 12 HA GLU 12 25.472 10.919 -13.700 92 1HB GLU 12 2HB GLU 12 27.380 10.711 -15.384 93 2HB GLU 12 1HB GLU 12 26.142 10.679 -16.640 94 1HG GLU 12 2HG GLU 12 25.924 12.856 -14.624 95 2HG GLU 12 1HG GLU 12 27.262 12.972 -15.769 96 H ASN 13 H ASN 13 24.285 9.282 -16.657 97 HA ASN 13 HA ASN 13 22.187 10.917 -17.379 98 1HB ASN 13 2HB ASN 13 22.579 7.967 -17.413 99 2HB ASN 13 1HB ASN 13 20.935 8.551 -17.674 100 1HD2 ASN 13 1HD2 ASN 13 20.533 8.757 -19.878 101 2HD2 ASN 13 2HD2 ASN 13 21.654 9.309 -21.028 102 HA PRO 14 HA PRO 14 19.341 11.075 -14.021 103 1HB PRO 14 2HB PRO 14 16.966 11.328 -15.342 104 2HB PRO 14 1HB PRO 14 18.169 12.629 -15.254 105 1HG PRO 14 2HG PRO 14 17.573 10.748 -17.475 106 2HG PRO 14 1HG PRO 14 18.021 12.461 -17.532 107 1HD PRO 14 2HD PRO 14 19.786 10.398 -18.031 108 2HD PRO 14 1HD PRO 14 20.278 12.007 -17.457 109 H ARG 15 H ARG 15 19.498 8.375 -15.972 110 HA ARG 15 HA ARG 15 18.621 6.207 -15.777 111 1HB ARG 15 2HB ARG 15 17.719 7.114 -13.030 112 2HB ARG 15 1HB ARG 15 18.057 5.464 -13.556 113 1HG ARG 15 2HG ARG 15 20.063 7.721 -13.293 114 2HG ARG 15 1HG ARG 15 19.961 6.280 -12.282 115 1HD ARG 15 2HD ARG 15 20.847 6.517 -15.147 116 2HD ARG 15 1HD ARG 15 21.647 5.700 -13.803 117 HE ARG 15 HE ARG 15 19.286 4.289 -14.113 118 1HH1 ARG 15 1HH2 ARG 15 21.879 5.295 -16.152 119 2HH1 ARG 15 2HH2 ARG 15 21.757 3.926 -17.206 120 1HH2 ARG 15 2HH1 ARG 15 19.115 2.494 -15.477 121 2HH2 ARG 15 1HH1 ARG 15 20.193 2.340 -16.824 122 H ASN 16 H ASN 16 16.686 5.233 -16.361 123 HA ASN 16 HA ASN 16 14.304 7.016 -16.389 124 1HB ASN 16 2HB ASN 16 15.246 5.836 -18.497 125 2HB ASN 16 1HB ASN 16 14.531 4.371 -17.821 126 1HD2 ASN 16 1HD2 ASN 16 13.246 7.721 -17.654 127 2HD2 ASN 16 2HD2 ASN 16 11.804 7.372 -18.479 128 H VAL 17 H VAL 17 14.506 6.242 -13.897 129 HA VAL 17 HA VAL 17 13.642 3.647 -13.151 130 HB VAL 17 HB VAL 17 14.499 5.435 -11.592 131 1HG1 VAL 17 1HG1 VAL 17 13.171 7.249 -10.962 132 2HG1 VAL 17 2HG1 VAL 17 11.677 6.462 -11.472 133 3HG1 VAL 17 3HG1 VAL 17 12.787 7.114 -12.678 134 1HG2 VAL 17 1HG2 VAL 17 11.869 4.661 -10.454 135 2HG2 VAL 17 2HG2 VAL 17 13.493 4.380 -9.825 136 3HG2 VAL 17 3HG2 VAL 17 12.845 3.337 -11.091 137 H GLY 18 H GLY 18 11.424 3.119 -12.251 138 1HA GLY 18 2HA GLY 18 9.012 4.202 -12.441 139 2HA GLY 18 1HA GLY 18 9.370 4.088 -14.166 140 H SER 19 H SER 19 10.239 1.778 -14.783 141 HA SER 19 HA SER 19 8.180 -0.121 -13.916 142 1HB SER 19 2HB SER 19 10.304 -1.220 -15.589 143 2HB SER 19 1HB SER 19 8.576 -1.106 -15.909 144 HG SER 19 HG SER 19 10.163 0.183 -17.240 145 H LEU 20 H LEU 20 8.780 -2.322 -13.157 146 HA LEU 20 HA LEU 20 11.352 -2.308 -11.629 147 1HB LEU 20 2HB LEU 20 8.594 -3.203 -10.775 148 2HB LEU 20 1HB LEU 20 10.052 -3.744 -9.943 149 HG LEU 20 HG LEU 20 9.382 -0.827 -10.408 150 1HD1 LEU 20 1HD1 LEU 20 8.693 -2.711 -8.169 151 2HD1 LEU 20 2HD1 LEU 20 7.693 -1.469 -8.923 152 3HD1 LEU 20 3HD1 LEU 20 8.991 -1.008 -7.820 153 1HD2 LEU 20 1HD2 LEU 20 11.551 -2.365 -9.036 154 2HD2 LEU 20 2HD2 LEU 20 11.037 -0.839 -8.316 155 3HD2 LEU 20 3HD2 LEU 20 11.656 -0.871 -9.967 156 H ASP 21 H ASP 21 12.513 -4.245 -11.663 157 HA ASP 21 HA ASP 21 13.212 -6.295 -12.577 158 1HB ASP 21 2HB ASP 21 10.379 -7.240 -12.688 159 2HB ASP 21 1HB ASP 21 11.814 -8.062 -12.074 160 H LYS 22 H LYS 22 13.790 -5.491 -14.661 161 HA LYS 22 HA LYS 22 11.930 -5.021 -16.777 162 1HB LYS 22 2HB LYS 22 13.913 -5.239 -18.269 163 2HB LYS 22 1HB LYS 22 14.225 -4.186 -16.890 164 1HG LYS 22 2HG LYS 22 14.837 -6.874 -16.116 165 2HG LYS 22 1HG LYS 22 15.640 -6.545 -17.652 166 1HD LYS 22 2HD LYS 22 16.633 -4.503 -16.720 167 2HD LYS 22 1HD LYS 22 15.801 -4.781 -15.191 168 1HE LYS 22 2HE LYS 22 17.248 -7.157 -15.972 169 2HE LYS 22 1HE LYS 22 18.333 -5.766 -15.953 170 1HZ LYS 22 1HZ LYS 22 18.292 -5.747 -13.753 171 2HZ LYS 22 2HZ LYS 22 17.401 -7.193 -13.779 172 3HZ LYS 22 3HZ LYS 22 16.598 -5.696 -13.720 173 H LYS 23 H LYS 23 12.437 -7.857 -15.200 174 HA LYS 23 HA LYS 23 12.728 -9.785 -17.279 175 1HB LYS 23 2HB LYS 23 12.537 -9.960 -14.583 176 2HB LYS 23 1HB LYS 23 10.900 -10.449 -15.027 177 1HG LYS 23 2HG LYS 23 11.870 -12.118 -16.611 178 2HG LYS 23 1HG LYS 23 13.480 -11.682 -16.038 179 1HD LYS 23 2HD LYS 23 11.296 -12.594 -14.156 180 2HD LYS 23 1HD LYS 23 12.399 -13.729 -14.933 181 1HE LYS 23 2HE LYS 23 14.204 -11.964 -13.994 182 2HE LYS 23 1HE LYS 23 12.933 -11.727 -12.796 183 1HZ LYS 23 1HZ LYS 23 13.715 -13.545 -11.820 184 2HZ LYS 23 2HZ LYS 23 14.706 -13.935 -13.144 185 3HZ LYS 23 3HZ LYS 23 13.083 -14.437 -13.117 186 H ASP 24 H ASP 24 10.076 -7.753 -16.363 187 HA ASP 24 HA ASP 24 7.922 -7.519 -17.254 188 1HB ASP 24 2HB ASP 24 9.553 -8.677 -19.470 189 2HB ASP 24 1HB ASP 24 7.801 -8.653 -19.670 190 H SER 25 H SER 25 8.695 -10.000 -15.705 191 HA SER 25 HA SER 25 7.200 -12.204 -16.842 192 1HB SER 25 2HB SER 25 8.992 -11.982 -14.792 193 2HB SER 25 1HB SER 25 7.477 -12.094 -13.899 194 HG SER 25 HG SER 25 7.045 -14.022 -14.917 195 H ASN 26 H ASN 26 6.133 -9.283 -15.837 196 HA ASN 26 HA ASN 26 3.406 -9.805 -15.886 197 1HB ASN 26 2HB ASN 26 3.000 -9.669 -13.290 198 2HB ASN 26 1HB ASN 26 3.354 -11.229 -14.031 199 1HD2 ASN 26 1HD2 ASN 26 4.749 -12.335 -12.644 200 2HD2 ASN 26 2HD2 ASN 26 6.102 -11.651 -11.882 201 H VAL 27 H VAL 27 5.420 -7.721 -16.346 202 HA VAL 27 HA VAL 27 4.378 -5.549 -14.579 203 HB VAL 27 HB VAL 27 6.855 -5.650 -16.328 204 1HG1 VAL 27 1HG1 VAL 27 7.362 -3.480 -15.097 205 2HG1 VAL 27 2HG1 VAL 27 5.677 -3.481 -14.575 206 3HG1 VAL 27 3HG1 VAL 27 6.069 -3.385 -16.292 207 1HG2 VAL 27 1HG2 VAL 27 6.346 -5.884 -13.360 208 2HG2 VAL 27 2HG2 VAL 27 7.916 -5.373 -13.983 209 3HG2 VAL 27 3HG2 VAL 27 7.277 -6.963 -14.401 210 H GLY 28 H GLY 28 2.473 -4.998 -15.673 211 1HA GLY 28 2HA GLY 28 2.403 -4.693 -18.568 212 2HA GLY 28 1HA GLY 28 1.122 -4.225 -17.449 213 H THR 29 H THR 29 3.816 -3.105 -19.289 214 HA THR 29 HA THR 29 3.969 -0.524 -17.883 215 HB THR 29 HB THR 29 5.257 -1.359 -20.498 216 HG1 THR 29 HG1 THR 29 7.096 -1.593 -19.000 217 1HG2 THR 29 1HG2 THR 29 5.924 0.786 -20.549 218 2HG2 THR 29 2HG2 THR 29 6.820 0.493 -19.059 219 3HG2 THR 29 3HG2 THR 29 5.167 1.103 -18.988 220 H GLY 30 H GLY 30 2.882 1.298 -18.495 221 1HA GLY 30 2HA GLY 30 1.518 1.287 -21.152 222 2HA GLY 30 1HA GLY 30 0.632 1.746 -19.696 223 H MET 31 H MET 31 1.410 3.348 -22.142 224 HA MET 31 HA MET 31 2.491 5.658 -20.628 225 1HB MET 31 2HB MET 31 4.514 4.885 -21.585 226 2HB MET 31 1HB MET 31 3.726 4.441 -23.099 227 1HG MET 31 2HG MET 31 3.687 6.610 -23.878 228 2HG MET 31 1HG MET 31 3.574 7.301 -22.259 229 1HE MET 31 1HE MET 31 5.301 9.126 -22.497 230 2HE MET 31 2HE MET 31 6.846 8.703 -21.762 231 3HE MET 31 3HE MET 31 5.343 8.222 -20.978 232 H VAL 32 H VAL 32 0.856 7.104 -20.897 233 HA VAL 32 HA VAL 32 -0.024 7.693 -23.674 234 HB VAL 32 HB VAL 32 -2.401 7.956 -22.622 235 1HG1 VAL 32 1HG1 VAL 32 -2.577 6.261 -24.111 236 2HG1 VAL 32 2HG1 VAL 32 -2.343 5.176 -22.740 237 3HG1 VAL 32 3HG1 VAL 32 -0.964 5.660 -23.728 238 1HG2 VAL 32 1HG2 VAL 32 -2.798 6.307 -20.792 239 2HG2 VAL 32 2HG2 VAL 32 -1.726 7.615 -20.293 240 3HG2 VAL 32 3HG2 VAL 32 -1.059 6.032 -20.695 241 H GLY 33 H GLY 33 -0.535 9.890 -23.974 242 1HA GLY 33 2HA GLY 33 -0.520 11.641 -21.570 243 2HA GLY 33 1HA GLY 33 0.665 11.958 -22.838 244 H ALA 34 H ALA 34 -0.888 14.042 -22.462 245 HA ALA 34 HA ALA 34 -2.968 13.873 -24.608 246 1HB ALA 34 1HB ALA 34 -3.886 15.955 -23.247 247 2HB ALA 34 2HB ALA 34 -3.005 15.199 -21.921 248 3HB ALA 34 3HB ALA 34 -4.285 14.311 -22.748 249 HA PRO 35 HA PRO 35 0.364 16.602 -26.243 250 1HB PRO 35 2HB PRO 35 -1.496 16.366 -28.566 251 2HB PRO 35 1HB PRO 35 0.267 16.186 -28.508 252 1HG PRO 35 2HG PRO 35 -1.362 14.079 -28.715 253 2HG PRO 35 1HG PRO 35 0.161 14.010 -27.813 254 1HD PRO 35 2HD PRO 35 -2.630 14.084 -26.779 255 2HD PRO 35 1HD PRO 35 -1.172 13.377 -26.049 256 H ALA 36 H ALA 36 -3.156 17.009 -26.670 257 HA ALA 36 HA ALA 36 -3.428 19.591 -27.529 258 1HB ALA 36 1HB ALA 36 -5.143 19.608 -25.352 259 2HB ALA 36 2HB ALA 36 -4.930 17.888 -25.678 260 3HB ALA 36 3HB ALA 36 -5.521 18.960 -26.947 261 H CYS 37 H CYS 37 -2.537 18.667 -24.196 262 HA CYS 37 HA CYS 37 -1.663 21.501 -23.790 263 1HB CYS 37 2HB CYS 37 -2.193 21.292 -21.463 264 2HB CYS 37 1HB CYS 37 -3.583 20.657 -22.343 265 HG CYS 37 HG CYS 37 -2.370 18.216 -21.931 266 H GLY 38 H GLY 38 -0.670 18.251 -24.014 267 1HA GLY 38 2HA GLY 38 1.571 17.461 -24.003 268 2HA GLY 38 1HA GLY 38 2.085 19.018 -23.351 269 H ASP 39 H ASP 39 -0.091 16.383 -22.262 270 HA ASP 39 HA ASP 39 1.244 16.584 -19.591 271 1HB ASP 39 2HB ASP 39 -1.214 17.139 -19.679 272 2HB ASP 39 1HB ASP 39 -1.514 15.481 -20.201 273 H VAL 40 H VAL 40 2.711 14.949 -19.432 274 HA VAL 40 HA VAL 40 2.247 12.406 -20.855 275 HB VAL 40 HB VAL 40 4.523 11.904 -19.603 276 1HG1 VAL 40 1HG1 VAL 40 4.116 12.319 -22.072 277 2HG1 VAL 40 2HG1 VAL 40 5.701 12.828 -21.489 278 3HG1 VAL 40 3HG1 VAL 40 4.436 14.025 -21.764 279 1HG2 VAL 40 1HG2 VAL 40 4.033 14.173 -18.309 280 2HG2 VAL 40 2HG2 VAL 40 4.773 14.888 -19.740 281 3HG2 VAL 40 3HG2 VAL 40 5.680 13.735 -18.761 282 H MET 41 H MET 41 1.459 10.598 -19.878 283 HA MET 41 HA MET 41 1.532 10.443 -16.902 284 1HB MET 41 2HB MET 41 -0.705 11.279 -17.569 285 2HB MET 41 1HB MET 41 -0.909 9.873 -18.614 286 1HG MET 41 2HG MET 41 -1.216 8.429 -16.846 287 2HG MET 41 1HG MET 41 -0.179 9.364 -15.767 288 1HE MET 41 1HE MET 41 -3.579 8.200 -16.326 289 2HE MET 41 2HE MET 41 -4.244 8.983 -14.896 290 3HE MET 41 3HE MET 41 -2.730 8.091 -14.778 291 H GLN 42 H GLN 42 2.546 8.562 -16.409 292 HA GLN 42 HA GLN 42 2.290 6.292 -18.337 293 1HB GLN 42 2HB GLN 42 4.585 6.824 -18.183 294 2HB GLN 42 1HB GLN 42 4.488 7.127 -16.448 295 1HG GLN 42 2HG GLN 42 4.160 4.768 -15.993 296 2HG GLN 42 1HG GLN 42 4.050 4.410 -17.717 297 1HE2 GLN 42 1HE2 GLN 42 6.376 6.846 -17.009 298 2HE2 GLN 42 2HE2 GLN 42 7.758 5.865 -17.090 299 H LEU 43 H LEU 43 1.458 4.368 -17.597 300 HA LEU 43 HA LEU 43 0.918 4.154 -14.661 301 1HB LEU 43 2HB LEU 43 -1.141 4.678 -16.010 302 2HB LEU 43 1HB LEU 43 -0.896 3.163 -16.879 303 HG LEU 43 HG LEU 43 -0.728 2.684 -14.038 304 1HD1 LEU 43 1HD1 LEU 43 -3.335 3.909 -14.985 305 2HD1 LEU 43 2HD1 LEU 43 -2.170 4.739 -13.954 306 3HD1 LEU 43 3HD1 LEU 43 -2.984 3.286 -13.373 307 1HD2 LEU 43 1HD2 LEU 43 -1.232 0.971 -15.709 308 2HD2 LEU 43 2HD2 LEU 43 -2.686 1.841 -16.200 309 3HD2 LEU 43 3HD2 LEU 43 -2.591 1.115 -14.596 310 H GLN 44 H GLN 44 1.299 2.116 -13.767 311 HA GLN 44 HA GLN 44 2.014 -0.095 -15.625 312 1HB GLN 44 2HB GLN 44 3.755 0.540 -13.242 313 2HB GLN 44 1HB GLN 44 4.121 -0.491 -14.626 314 1HG GLN 44 2HG GLN 44 4.269 1.411 -16.100 315 2HG GLN 44 1HG GLN 44 3.664 2.495 -14.846 316 1HE2 GLN 44 1HE2 GLN 44 6.514 0.857 -16.053 317 2HE2 GLN 44 2HE2 GLN 44 7.599 1.487 -14.911 318 H ILE 45 H ILE 45 1.305 -2.065 -14.879 319 HA ILE 45 HA ILE 45 0.231 -2.131 -12.085 320 HB ILE 45 HB ILE 45 -1.174 -4.090 -13.247 321 1HG1 ILE 45 2HG1 ILE 45 -0.813 -2.109 -15.508 322 2HG1 ILE 45 1HG1 ILE 45 0.086 -3.623 -15.424 323 1HG2 ILE 45 1HG2 ILE 45 -2.986 -2.484 -13.535 324 2HG2 ILE 45 2HG2 ILE 45 -1.833 -1.152 -13.618 325 3HG2 ILE 45 3HG2 ILE 45 -2.047 -2.041 -12.110 326 1HD1 ILE 45 1HD1 ILE 45 -1.696 -4.481 -16.551 327 2HD1 ILE 45 2HD1 ILE 45 -2.756 -3.155 -16.072 328 3HD1 ILE 45 3HD1 ILE 45 -2.468 -4.498 -14.966 329 H LYS 46 H LYS 46 0.929 -3.804 -10.794 330 HA LYS 46 HA LYS 46 2.839 -5.730 -12.041 331 1HB LYS 46 2HB LYS 46 3.421 -4.137 -10.022 332 2HB LYS 46 1HB LYS 46 2.568 -5.356 -9.075 333 1HG LYS 46 2HG LYS 46 4.050 -7.089 -10.237 334 2HG LYS 46 1HG LYS 46 5.024 -5.729 -10.798 335 1HD LYS 46 2HD LYS 46 5.081 -5.000 -8.316 336 2HD LYS 46 1HD LYS 46 4.538 -6.642 -7.965 337 1HE LYS 46 2HE LYS 46 6.496 -7.428 -9.432 338 2HE LYS 46 1HE LYS 46 7.098 -5.775 -9.313 339 1HZ LYS 46 1HZ LYS 46 7.081 -5.968 -6.913 340 2HZ LYS 46 2HZ LYS 46 8.034 -7.199 -7.595 341 3HZ LYS 46 3HZ LYS 46 6.476 -7.549 -7.015 342 H VAL 47 H VAL 47 2.020 -7.735 -12.369 343 HA VAL 47 HA VAL 47 -0.222 -8.640 -10.613 344 HB VAL 47 HB VAL 47 0.493 -10.026 -13.172 345 1HG1 VAL 47 1HG1 VAL 47 -1.806 -10.609 -13.170 346 2HG1 VAL 47 2HG1 VAL 47 -2.216 -9.315 -12.045 347 3HG1 VAL 47 3HG1 VAL 47 -1.320 -10.725 -11.479 348 1HG2 VAL 47 1HG2 VAL 47 -1.117 -7.458 -12.990 349 2HG2 VAL 47 2HG2 VAL 47 -0.888 -8.435 -14.441 350 3HG2 VAL 47 3HG2 VAL 47 0.486 -7.601 -13.713 351 H ASP 48 H ASP 48 -0.080 -10.706 -9.636 352 HA ASP 48 HA ASP 48 2.032 -12.578 -10.174 353 1HB ASP 48 2HB ASP 48 2.546 -10.439 -8.183 354 2HB ASP 48 1HB ASP 48 2.954 -12.078 -7.675 355 H ASP 49 H ASP 49 -0.334 -11.283 -7.901 356 HA ASP 49 HA ASP 49 -0.546 -13.576 -6.211 357 1HB ASP 49 2HB ASP 49 -2.097 -11.139 -6.741 358 2HB ASP 49 1HB ASP 49 -3.100 -12.513 -6.278 359 H ASN 50 H ASN 50 -0.290 -14.516 -8.852 360 HA ASN 50 HA ASN 50 -1.214 -16.354 -10.025 361 1HB ASN 50 2HB ASN 50 -3.891 -15.966 -8.734 362 2HB ASN 50 1HB ASN 50 -3.084 -17.460 -9.208 363 1HD2 ASN 50 1HD2 ASN 50 -3.955 -15.730 -6.499 364 2HD2 ASN 50 2HD2 ASN 50 -2.769 -16.287 -5.420 365 H GLY 51 H GLY 51 -1.145 -13.753 -11.069 366 1HA GLY 51 2HA GLY 51 -1.982 -12.880 -13.128 367 2HA GLY 51 1HA GLY 51 -3.400 -13.916 -12.963 368 H ILE 52 H ILE 52 -2.978 -12.496 -10.010 369 HA ILE 52 HA ILE 52 -5.046 -10.456 -10.644 370 HB ILE 52 HB ILE 52 -4.080 -11.508 -7.969 371 1HG1 ILE 52 2HG1 ILE 52 -5.394 -13.022 -9.683 372 2HG1 ILE 52 1HG1 ILE 52 -5.887 -12.989 -7.990 373 1HG2 ILE 52 1HG2 ILE 52 -6.360 -10.457 -7.301 374 2HG2 ILE 52 2HG2 ILE 52 -6.214 -9.551 -8.807 375 3HG2 ILE 52 3HG2 ILE 52 -4.990 -9.375 -7.550 376 1HD1 ILE 52 1HD1 ILE 52 -7.709 -11.541 -8.430 377 2HD1 ILE 52 2HD1 ILE 52 -7.744 -12.701 -9.757 378 3HD1 ILE 52 3HD1 ILE 52 -7.075 -11.089 -10.012 379 H ILE 53 H ILE 53 -4.783 -8.263 -9.919 380 HA ILE 53 HA ILE 53 -1.982 -7.373 -9.937 381 HB ILE 53 HB ILE 53 -4.642 -5.934 -9.930 382 1HG1 ILE 53 2HG1 ILE 53 -2.368 -5.787 -11.918 383 2HG1 ILE 53 1HG1 ILE 53 -3.612 -7.034 -12.020 384 1HG2 ILE 53 1HG2 ILE 53 -3.457 -4.342 -8.759 385 2HG2 ILE 53 2HG2 ILE 53 -2.909 -3.939 -10.386 386 3HG2 ILE 53 3HG2 ILE 53 -1.897 -4.928 -9.334 387 1HD1 ILE 53 1HD1 ILE 53 -5.324 -5.472 -12.424 388 2HD1 ILE 53 2HD1 ILE 53 -3.970 -4.828 -13.354 389 3HD1 ILE 53 3HD1 ILE 53 -4.374 -4.129 -11.786 390 H GLU 54 H GLU 54 -0.863 -7.324 -8.053 391 HA GLU 54 HA GLU 54 -2.353 -7.059 -5.501 392 1HB GLU 54 2HB GLU 54 -0.076 -8.530 -6.310 393 2HB GLU 54 1HB GLU 54 0.506 -7.312 -5.175 394 1HG GLU 54 2HG GLU 54 -1.901 -9.062 -4.617 395 2HG GLU 54 1HG GLU 54 -0.265 -9.495 -4.119 396 H ASP 55 H ASP 55 0.339 -5.513 -7.263 397 HA ASP 55 HA ASP 55 -0.179 -3.064 -5.631 398 1HB ASP 55 2HB ASP 55 2.497 -2.897 -6.341 399 2HB ASP 55 1HB ASP 55 1.887 -3.360 -4.752 400 H ALA 56 H ALA 56 -0.495 -1.263 -6.865 401 HA ALA 56 HA ALA 56 0.162 -1.476 -9.775 402 1HB ALA 56 1HB ALA 56 -1.669 0.067 -10.186 403 2HB ALA 56 2HB ALA 56 -1.901 0.311 -8.454 404 3HB ALA 56 3HB ALA 56 -2.268 -1.253 -9.181 405 H LYS 57 H LYS 57 1.818 -0.194 -10.409 406 HA LYS 57 HA LYS 57 2.580 2.098 -8.669 407 1HB LYS 57 2HB LYS 57 4.115 0.120 -9.817 408 2HB LYS 57 1HB LYS 57 4.319 1.453 -10.953 409 1HG LYS 57 2HG LYS 57 5.999 1.928 -9.418 410 2HG LYS 57 1HG LYS 57 4.664 2.870 -8.753 411 1HD LYS 57 2HD LYS 57 4.106 0.707 -7.415 412 2HD LYS 57 1HD LYS 57 5.758 0.228 -7.807 413 1HE LYS 57 2HE LYS 57 4.790 2.401 -6.018 414 2HE LYS 57 1HE LYS 57 6.208 1.363 -5.863 415 1HZ LYS 57 1HZ LYS 57 6.952 3.548 -6.358 416 2HZ LYS 57 2HZ LYS 57 5.878 3.695 -7.665 417 3HZ LYS 57 3HZ LYS 57 7.184 2.615 -7.755 418 H PHE 58 H PHE 58 1.738 4.024 -9.301 419 HA PHE 58 HA PHE 58 1.146 4.441 -12.191 420 1HB PHE 58 2HB PHE 58 0.088 6.619 -11.006 421 2HB PHE 58 1HB PHE 58 -0.788 5.094 -11.136 422 HD1 PHE 58 HD1 PHE 58 -0.189 3.336 -9.200 423 HD2 PHE 58 HD2 PHE 58 0.241 7.599 -8.899 424 HE1 PHE 58 HE1 PHE 58 -0.271 3.169 -6.727 425 HE2 PHE 58 HE2 PHE 58 0.158 7.433 -6.426 426 HZ PHE 58 HZ PHE 58 -0.097 5.219 -5.340 427 H LYS 59 H LYS 59 1.585 6.746 -12.973 428 HA LYS 59 HA LYS 59 3.868 8.057 -11.621 429 1HB LYS 59 2HB LYS 59 4.047 6.492 -14.120 430 2HB LYS 59 1HB LYS 59 4.757 8.104 -14.211 431 1HG LYS 59 2HG LYS 59 5.352 6.251 -11.904 432 2HG LYS 59 1HG LYS 59 6.287 6.194 -13.399 433 1HD LYS 59 2HD LYS 59 5.889 8.908 -12.318 434 2HD LYS 59 1HD LYS 59 6.853 7.848 -11.290 435 1HE LYS 59 2HE LYS 59 7.359 8.467 -14.215 436 2HE LYS 59 1HE LYS 59 8.334 9.000 -12.845 437 1HZ LYS 59 1HZ LYS 59 8.465 6.568 -14.258 438 2HZ LYS 59 2HZ LYS 59 8.067 6.243 -12.639 439 3HZ LYS 59 3HZ LYS 59 9.471 7.125 -13.011 440 H THR 60 H THR 60 2.222 9.728 -11.336 441 HA THR 60 HA THR 60 1.276 11.043 -13.824 442 HB THR 60 HB THR 60 0.226 12.557 -11.848 443 HG1 THR 60 HG1 THR 60 1.149 10.212 -10.722 444 1HG2 THR 60 1HG2 THR 60 -1.018 11.342 -13.603 445 2HG2 THR 60 2HG2 THR 60 -1.781 11.141 -12.026 446 3HG2 THR 60 3HG2 THR 60 -0.806 9.838 -12.705 447 H TYR 61 H TYR 61 2.300 12.827 -14.598 448 HA TYR 61 HA TYR 61 3.735 14.623 -12.748 449 1HB TYR 61 2HB TYR 61 5.263 12.677 -13.669 450 2HB TYR 61 1HB TYR 61 5.270 13.655 -15.137 451 HD1 TYR 61 HD1 TYR 61 5.556 14.182 -11.426 452 HD2 TYR 61 HD2 TYR 61 6.994 15.197 -15.344 453 HE1 TYR 61 HE1 TYR 61 7.246 15.691 -10.416 454 HE2 TYR 61 HE2 TYR 61 8.683 16.706 -14.334 455 HH TYR 61 HH TYR 61 9.171 17.857 -12.360 456 H GLY 62 H GLY 62 3.817 16.729 -13.553 457 1HA GLY 62 2HA GLY 62 3.885 18.263 -15.499 458 2HA GLY 62 1HA GLY 62 2.845 17.122 -16.354 459 H CYS 63 H CYS 63 0.824 16.596 -14.656 460 HA CYS 63 HA CYS 63 -0.516 19.224 -14.445 461 1HB CYS 63 2HB CYS 63 -1.670 17.296 -15.535 462 2HB CYS 63 1HB CYS 63 -1.633 16.441 -13.993 463 HG CYS 63 HG CYS 63 -3.893 17.981 -14.508 464 H GLY 64 H GLY 64 -2.018 19.417 -12.423 465 1HA GLY 64 2HA GLY 64 -0.569 18.408 -10.010 466 2HA GLY 64 1HA GLY 64 -1.062 20.097 -10.129 467 H SER 65 H SER 65 -3.488 18.759 -11.691 468 HA SER 65 HA SER 65 -5.101 18.404 -9.205 469 1HB SER 65 2HB SER 65 -6.367 18.709 -11.895 470 2HB SER 65 1HB SER 65 -6.912 19.300 -10.329 471 HG SER 65 HG SER 65 -6.098 21.109 -11.070 472 H ALA 66 H ALA 66 -3.415 16.435 -11.009 473 HA ALA 66 HA ALA 66 -5.590 14.455 -11.500 474 1HB ALA 66 1HB ALA 66 -2.764 13.917 -12.301 475 2HB ALA 66 2HB ALA 66 -3.640 15.163 -13.193 476 3HB ALA 66 3HB ALA 66 -4.265 13.515 -13.137 477 H ILE 67 H ILE 67 -2.650 15.028 -9.644 478 HA ILE 67 HA ILE 67 -1.890 12.598 -8.664 479 HB ILE 67 HB ILE 67 -2.343 15.214 -7.261 480 1HG1 ILE 67 2HG1 ILE 67 0.166 14.855 -6.898 481 2HG1 ILE 67 1HG1 ILE 67 0.021 13.462 -7.971 482 1HG2 ILE 67 1HG2 ILE 67 -1.181 14.084 -5.260 483 2HG2 ILE 67 2HG2 ILE 67 -1.688 12.557 -5.982 484 3HG2 ILE 67 3HG2 ILE 67 -2.897 13.740 -5.484 485 1HD1 ILE 67 1HD1 ILE 67 -0.728 16.318 -8.670 486 2HD1 ILE 67 2HD1 ILE 67 -0.900 14.926 -9.740 487 3HD1 ILE 67 3HD1 ILE 67 0.704 15.460 -9.238 488 H ALA 68 H ALA 68 -4.943 14.229 -7.941 489 HA ALA 68 HA ALA 68 -5.790 12.244 -5.987 490 1HB ALA 68 1HB ALA 68 -6.628 14.756 -6.526 491 2HB ALA 68 2HB ALA 68 -7.649 13.566 -5.719 492 3HB ALA 68 3HB ALA 68 -7.823 13.848 -7.451 493 H SER 69 H SER 69 -6.869 12.989 -9.324 494 HA SER 69 HA SER 69 -8.581 10.798 -9.692 495 1HB SER 69 2HB SER 69 -6.712 12.115 -11.682 496 2HB SER 69 1HB SER 69 -7.983 10.981 -12.127 497 HG SER 69 HG SER 69 -9.476 12.419 -11.149 498 H SER 70 H SER 70 -5.045 10.934 -10.012 499 HA SER 70 HA SER 70 -4.773 8.215 -10.948 500 1HB SER 70 2HB SER 70 -2.398 8.864 -9.637 501 2HB SER 70 1HB SER 70 -2.739 9.110 -11.347 502 HG SER 70 HG SER 70 -2.590 10.914 -9.284 503 H SER 71 H SER 71 -3.779 9.579 -7.785 504 HA SER 71 HA SER 71 -3.423 7.207 -6.389 505 1HB SER 71 2HB SER 71 -3.408 9.807 -5.661 506 2HB SER 71 1HB SER 71 -4.938 9.320 -4.938 507 HG SER 71 HG SER 71 -2.769 9.021 -3.772 508 H LEU 72 H LEU 72 -6.371 8.466 -7.656 509 HA LEU 72 HA LEU 72 -8.125 6.955 -5.872 510 1HB LEU 72 2HB LEU 72 -8.841 9.067 -7.000 511 2HB LEU 72 1HB LEU 72 -8.744 8.233 -8.552 512 HG LEU 72 HG LEU 72 -10.271 6.572 -6.825 513 1HD1 LEU 72 1HD1 LEU 72 -12.009 7.976 -6.008 514 2HD1 LEU 72 2HD1 LEU 72 -11.428 9.362 -6.932 515 3HD1 LEU 72 3HD1 LEU 72 -10.514 8.785 -5.538 516 1HD2 LEU 72 1HD2 LEU 72 -12.070 7.124 -8.478 517 2HD2 LEU 72 2HD2 LEU 72 -10.540 6.697 -9.246 518 3HD2 LEU 72 3HD2 LEU 72 -11.029 8.389 -9.135 519 H ILE 73 H ILE 73 -8.105 6.764 -9.425 520 HA ILE 73 HA ILE 73 -9.066 4.173 -9.676 521 HB ILE 73 HB ILE 73 -8.680 5.626 -11.614 522 1HG1 ILE 73 2HG1 ILE 73 -7.036 3.079 -11.792 523 2HG1 ILE 73 1HG1 ILE 73 -8.792 3.155 -11.936 524 1HG2 ILE 73 1HG2 ILE 73 -6.362 6.332 -10.576 525 2HG2 ILE 73 2HG2 ILE 73 -6.568 6.314 -12.328 526 3HG2 ILE 73 3HG2 ILE 73 -5.749 4.975 -11.522 527 1HD1 ILE 73 1HD1 ILE 73 -8.673 4.432 -13.946 528 2HD1 ILE 73 2HD1 ILE 73 -7.481 3.147 -14.136 529 3HD1 ILE 73 3HD1 ILE 73 -6.959 4.778 -13.711 530 H THR 74 H THR 74 -5.735 5.166 -8.996 531 HA THR 74 HA THR 74 -4.598 2.528 -9.233 532 HB THR 74 HB THR 74 -2.647 3.474 -8.144 533 HG1 THR 74 HG1 THR 74 -3.195 5.873 -7.533 534 1HG2 THR 74 1HG2 THR 74 -4.111 5.358 -9.999 535 2HG2 THR 74 2HG2 THR 74 -2.840 4.205 -10.403 536 3HG2 THR 74 3HG2 THR 74 -2.454 5.653 -9.473 537 H GLU 75 H GLU 75 -5.964 4.358 -6.506 538 HA GLU 75 HA GLU 75 -5.314 2.246 -4.590 539 1HB GLU 75 2HB GLU 75 -5.567 4.732 -4.047 540 2HB GLU 75 1HB GLU 75 -7.308 4.488 -4.203 541 1HG GLU 75 2HG GLU 75 -6.889 2.484 -2.552 542 2HG GLU 75 1HG GLU 75 -5.417 3.371 -2.155 543 H TRP 76 H TRP 76 -7.750 2.715 -6.919 544 HA TRP 76 HA TRP 76 -9.694 1.034 -5.422 545 1HB TRP 76 2HB TRP 76 -10.277 3.187 -6.814 546 2HB TRP 76 1HB TRP 76 -10.178 2.091 -8.192 547 HD1 TRP 76 HD1 TRP 76 -11.925 2.243 -4.742 548 HE1 TRP 76 HE1 TRP 76 -14.227 1.103 -4.960 549 HE3 TRP 76 HE3 TRP 76 -11.688 0.696 -9.605 550 HZ2 TRP 76 HZ2 TRP 76 -15.764 -0.282 -6.935 551 HZ3 TRP 76 HZ3 TRP 76 -13.581 -0.530 -10.627 552 HH2 TRP 76 HH2 TRP 76 -15.618 -1.021 -9.300 553 H VAL 77 H VAL 77 -7.441 0.931 -8.091 554 HA VAL 77 HA VAL 77 -8.510 -1.650 -9.051 555 HB VAL 77 HB VAL 77 -6.276 0.174 -9.938 556 1HG1 VAL 77 1HG1 VAL 77 -6.159 -1.712 -11.816 557 2HG1 VAL 77 2HG1 VAL 77 -6.678 -2.740 -10.479 558 3HG1 VAL 77 3HG1 VAL 77 -5.178 -1.820 -10.353 559 1HG2 VAL 77 1HG2 VAL 77 -7.633 -0.189 -12.125 560 2HG2 VAL 77 2HG2 VAL 77 -8.349 0.822 -10.870 561 3HG2 VAL 77 3HG2 VAL 77 -8.881 -0.848 -11.068 562 H LYS 78 H LYS 78 -5.786 -0.361 -7.224 563 HA LYS 78 HA LYS 78 -4.083 -2.581 -7.123 564 1HB LYS 78 2HB LYS 78 -3.796 -0.285 -6.010 565 2HB LYS 78 1HB LYS 78 -4.768 -0.929 -4.687 566 1HG LYS 78 2HG LYS 78 -3.092 -2.920 -4.719 567 2HG LYS 78 1HG LYS 78 -2.054 -1.835 -5.641 568 1HD LYS 78 2HD LYS 78 -3.224 -0.605 -3.227 569 2HD LYS 78 1HD LYS 78 -2.134 -1.952 -2.898 570 1HE LYS 78 2HE LYS 78 -0.399 -0.895 -4.295 571 2HE LYS 78 1HE LYS 78 -1.486 0.452 -4.630 572 1HZ LYS 78 1HZ LYS 78 -1.181 1.318 -2.595 573 2HZ LYS 78 2HZ LYS 78 0.261 0.422 -2.619 574 3HZ LYS 78 3HZ LYS 78 -1.111 -0.192 -1.827 575 H GLY 79 H GLY 79 -4.614 -4.663 -6.652 576 1HA GLY 79 2HA GLY 79 -5.251 -6.324 -4.986 577 2HA GLY 79 1HA GLY 79 -6.388 -5.157 -4.311 578 H LYS 80 H LYS 80 -6.893 -4.674 -7.434 579 HA LYS 80 HA LYS 80 -9.202 -6.512 -7.486 580 1HB LYS 80 2HB LYS 80 -8.336 -4.180 -9.203 581 2HB LYS 80 1HB LYS 80 -9.692 -5.216 -9.649 582 1HG LYS 80 2HG LYS 80 -9.728 -4.278 -6.848 583 2HG LYS 80 1HG LYS 80 -9.916 -3.005 -8.053 584 1HD LYS 80 2HD LYS 80 -11.693 -4.472 -9.145 585 2HD LYS 80 1HD LYS 80 -11.624 -5.474 -7.695 586 1HE LYS 80 2HE LYS 80 -12.309 -3.644 -6.296 587 2HE LYS 80 1HE LYS 80 -12.119 -2.489 -7.616 588 1HZ LYS 80 1HZ LYS 80 -13.938 -3.429 -8.762 589 2HZ LYS 80 2HZ LYS 80 -14.451 -3.226 -7.155 590 3HZ LYS 80 3HZ LYS 80 -14.012 -4.766 -7.721 591 H SER 81 H SER 81 -9.611 -7.262 -9.982 592 HA SER 81 HA SER 81 -7.144 -8.784 -10.700 593 1HB SER 81 2HB SER 81 -10.045 -9.372 -11.362 594 2HB SER 81 1HB SER 81 -8.669 -10.386 -11.784 595 HG SER 81 HG SER 81 -10.021 -10.638 -9.664 596 H LEU 82 H LEU 82 -7.391 -9.432 -13.230 597 HA LEU 82 HA LEU 82 -7.167 -6.893 -14.648 598 1HB LEU 82 2HB LEU 82 -7.023 -9.765 -15.611 599 2HB LEU 82 1HB LEU 82 -6.680 -8.358 -16.618 600 HG LEU 82 HG LEU 82 -5.262 -8.591 -13.994 601 1HD1 LEU 82 1HD1 LEU 82 -4.461 -10.099 -16.502 602 2HD1 LEU 82 2HD1 LEU 82 -5.056 -10.841 -15.018 603 3HD1 LEU 82 3HD1 LEU 82 -3.516 -9.984 -15.019 604 1HD2 LEU 82 1HD2 LEU 82 -5.153 -6.665 -15.739 605 2HD2 LEU 82 2HD2 LEU 82 -4.170 -7.780 -16.687 606 3HD2 LEU 82 3HD2 LEU 82 -3.633 -7.275 -15.085 607 H GLU 83 H GLU 83 -9.636 -9.290 -14.174 608 HA GLU 83 HA GLU 83 -11.204 -8.594 -16.519 609 1HB GLU 83 2HB GLU 83 -11.318 -10.753 -15.071 610 2HB GLU 83 1HB GLU 83 -12.346 -9.797 -14.003 611 1HG GLU 83 2HG GLU 83 -14.070 -10.320 -15.359 612 2HG GLU 83 1HG GLU 83 -13.330 -9.276 -16.572 613 H GLU 84 H GLU 84 -10.634 -7.095 -13.506 614 HA GLU 84 HA GLU 84 -13.189 -5.573 -13.653 615 1HB GLU 84 2HB GLU 84 -11.142 -5.218 -11.481 616 2HB GLU 84 1HB GLU 84 -12.895 -5.037 -11.397 617 1HG GLU 84 2HG GLU 84 -12.832 -7.625 -12.031 618 2HG GLU 84 1HG GLU 84 -11.239 -7.523 -11.280 619 H ALA 85 H ALA 85 -9.658 -5.107 -13.586 620 HA ALA 85 HA ALA 85 -10.003 -2.228 -14.153 621 1HB ALA 85 1HB ALA 85 -7.283 -2.925 -14.394 622 2HB ALA 85 2HB ALA 85 -7.908 -3.912 -13.072 623 3HB ALA 85 3HB ALA 85 -8.061 -2.156 -13.011 624 H GLY 86 H GLY 86 -10.181 -4.956 -15.962 625 1HA GLY 86 2HA GLY 86 -8.824 -3.703 -18.313 626 2HA GLY 86 1HA GLY 86 -9.128 -5.434 -18.152 627 H ALA 87 H ALA 87 -11.277 -2.632 -17.619 628 HA ALA 87 HA ALA 87 -12.798 -2.974 -20.017 629 1HB ALA 87 1HB ALA 87 -14.869 -3.947 -18.869 630 2HB ALA 87 2HB ALA 87 -13.793 -4.425 -17.555 631 3HB ALA 87 3HB ALA 87 -13.551 -5.080 -19.175 632 H ILE 88 H ILE 88 -12.666 -1.953 -16.650 633 HA ILE 88 HA ILE 88 -14.823 -0.311 -16.290 634 HB ILE 88 HB ILE 88 -13.099 1.392 -15.302 635 1HG1 ILE 88 2HG1 ILE 88 -11.315 -1.005 -15.834 636 2HG1 ILE 88 1HG1 ILE 88 -11.220 0.520 -16.716 637 1HG2 ILE 88 1HG2 ILE 88 -12.475 -0.618 -13.595 638 2HG2 ILE 88 2HG2 ILE 88 -13.805 -1.371 -14.474 639 3HG2 ILE 88 3HG2 ILE 88 -14.060 0.155 -13.630 640 1HD1 ILE 88 1HD1 ILE 88 -11.170 0.707 -13.749 641 2HD1 ILE 88 2HD1 ILE 88 -10.280 1.642 -14.952 642 3HD1 ILE 88 3HD1 ILE 88 -9.738 0.021 -14.517 643 H LYS 89 H LYS 89 -15.302 1.934 -16.819 644 HA LYS 89 HA LYS 89 -14.065 2.780 -19.408 645 1HB LYS 89 2HB LYS 89 -16.884 3.159 -18.360 646 2HB LYS 89 1HB LYS 89 -16.263 3.947 -19.811 647 1HG LYS 89 2HG LYS 89 -16.193 1.984 -21.019 648 2HG LYS 89 1HG LYS 89 -15.913 0.991 -19.588 649 1HD LYS 89 2HD LYS 89 -18.169 0.920 -19.026 650 2HD LYS 89 1HD LYS 89 -18.531 2.426 -19.870 651 1HE LYS 89 2HE LYS 89 -17.680 -0.083 -21.327 652 2HE LYS 89 1HE LYS 89 -19.370 0.292 -20.997 653 1HZ LYS 89 1HZ LYS 89 -18.719 1.088 -23.174 654 2HZ LYS 89 2HZ LYS 89 -17.466 2.012 -22.494 655 3HZ LYS 89 3HZ LYS 89 -19.086 2.396 -22.160 656 H ASN 90 H ASN 90 -13.917 5.134 -19.721 657 HA ASN 90 HA ASN 90 -12.944 6.478 -17.348 658 1HB ASN 90 2HB ASN 90 -12.988 8.498 -19.021 659 2HB ASN 90 1HB ASN 90 -11.860 7.172 -19.308 660 1HD2 ASN 90 1HD2 ASN 90 -13.685 9.108 -21.095 661 2HD2 ASN 90 2HD2 ASN 90 -14.286 8.033 -22.262 662 H SER 91 H SER 91 -15.887 6.727 -19.320 663 HA SER 91 HA SER 91 -17.080 9.000 -18.240 664 1HB SER 91 2HB SER 91 -18.204 6.374 -19.171 665 2HB SER 91 1HB SER 91 -19.277 7.574 -18.456 666 HG SER 91 HG SER 91 -17.431 8.287 -20.464 667 H GLN 92 H GLN 92 -16.820 5.780 -16.785 668 HA GLN 92 HA GLN 92 -18.514 6.346 -14.524 669 1HB GLN 92 2HB GLN 92 -17.778 4.047 -15.324 670 2HB GLN 92 1HB GLN 92 -16.208 4.385 -14.594 671 1HG GLN 92 2HG GLN 92 -17.273 3.325 -12.824 672 2HG GLN 92 1HG GLN 92 -17.683 5.007 -12.485 673 1HE2 GLN 92 1HE2 GLN 92 -18.976 2.118 -14.207 674 2HE2 GLN 92 2HE2 GLN 92 -20.606 2.510 -13.949 675 H ILE 93 H ILE 93 -14.954 5.913 -14.519 676 HA ILE 93 HA ILE 93 -14.396 6.991 -12.028 677 HB ILE 93 HB ILE 93 -12.645 7.848 -14.301 678 1HG1 ILE 93 2HG1 ILE 93 -13.460 5.040 -13.633 679 2HG1 ILE 93 1HG1 ILE 93 -13.086 5.750 -15.203 680 1HG2 ILE 93 1HG2 ILE 93 -10.930 7.497 -12.760 681 2HG2 ILE 93 2HG2 ILE 93 -11.840 6.274 -11.874 682 3HG2 ILE 93 3HG2 ILE 93 -12.251 7.979 -11.696 683 1HD1 ILE 93 1HD1 ILE 93 -11.201 4.419 -14.796 684 2HD1 ILE 93 2HD1 ILE 93 -11.196 4.784 -13.070 685 3HD1 ILE 93 3HD1 ILE 93 -10.671 6.004 -14.232 686 H ALA 94 H ALA 94 -14.853 8.809 -15.063 687 HA ALA 94 HA ALA 94 -14.364 11.402 -14.023 688 1HB ALA 94 1HB ALA 94 -15.769 10.265 -16.362 689 2HB ALA 94 2HB ALA 94 -14.642 11.620 -16.277 690 3HB ALA 94 3HB ALA 94 -16.340 11.857 -15.862 691 H GLU 95 H GLU 95 -17.313 9.425 -14.031 692 HA GLU 95 HA GLU 95 -18.932 11.494 -12.778 693 1HB GLU 95 2HB GLU 95 -19.327 8.524 -13.212 694 2HB GLU 95 1HB GLU 95 -20.518 9.534 -12.391 695 1HG GLU 95 2HG GLU 95 -20.668 10.987 -14.374 696 2HG GLU 95 1HG GLU 95 -19.468 9.991 -15.199 697 H GLU 96 H GLU 96 -16.513 9.413 -11.664 698 HA GLU 96 HA GLU 96 -17.601 8.975 -8.986 699 1HB GLU 96 2HB GLU 96 -15.961 7.416 -10.042 700 2HB GLU 96 1HB GLU 96 -14.748 8.694 -9.980 701 1HG GLU 96 2HG GLU 96 -14.422 8.450 -7.740 702 2HG GLU 96 1HG GLU 96 -16.137 8.185 -7.423 703 H LEU 97 H LEU 97 -14.711 10.783 -10.118 704 HA LEU 97 HA LEU 97 -14.606 12.329 -7.662 705 1HB LEU 97 2HB LEU 97 -13.079 12.181 -10.191 706 2HB LEU 97 1HB LEU 97 -13.104 13.773 -9.432 707 HG LEU 97 HG LEU 97 -12.403 11.216 -7.966 708 1HD1 LEU 97 1HD1 LEU 97 -10.716 11.700 -9.687 709 2HD1 LEU 97 2HD1 LEU 97 -10.067 12.043 -8.083 710 3HD1 LEU 97 3HD1 LEU 97 -10.599 13.366 -9.119 711 1HD2 LEU 97 1HD2 LEU 97 -12.744 14.069 -7.243 712 2HD2 LEU 97 2HD2 LEU 97 -11.301 13.295 -6.590 713 3HD2 LEU 97 3HD2 LEU 97 -12.894 12.628 -6.237 714 H GLU 98 H GLU 98 -16.708 12.423 -10.210 715 HA GLU 98 HA GLU 98 -18.138 14.065 -11.093 716 1HB GLU 98 2HB GLU 98 -18.886 13.871 -8.712 717 2HB GLU 98 1HB GLU 98 -17.813 15.211 -8.307 718 1HG GLU 98 2HG GLU 98 -19.939 16.216 -8.661 719 2HG GLU 98 1HG GLU 98 -19.030 16.533 -10.139 720 H LEU 99 H LEU 99 -16.344 14.871 -12.498 721 HA LEU 99 HA LEU 99 -15.587 17.652 -11.699 722 1HB LEU 99 2HB LEU 99 -13.511 17.287 -13.130 723 2HB LEU 99 1HB LEU 99 -13.546 16.387 -11.613 724 HG LEU 99 HG LEU 99 -14.676 15.106 -14.075 725 1HD1 LEU 99 1HD1 LEU 99 -12.270 14.137 -14.331 726 2HD1 LEU 99 2HD1 LEU 99 -11.765 15.585 -13.459 727 3HD1 LEU 99 3HD1 LEU 99 -12.606 15.733 -15.003 728 1HD2 LEU 99 1HD2 LEU 99 -12.945 13.638 -12.191 729 2HD2 LEU 99 2HD2 LEU 99 -14.544 13.221 -12.805 730 3HD2 LEU 99 3HD2 LEU 99 -14.384 14.340 -11.451 731 HA PRO 100 HA PRO 100 -17.635 19.321 -15.196 732 1HB PRO 100 2HB PRO 100 -14.911 20.283 -16.003 733 2HB PRO 100 1HB PRO 100 -16.441 21.175 -15.927 734 1HG PRO 100 2HG PRO 100 -14.554 21.367 -14.017 735 2HG PRO 100 1HG PRO 100 -16.285 21.528 -13.682 736 1HD PRO 100 2HD PRO 100 -14.451 19.362 -12.908 737 2HD PRO 100 1HD PRO 100 -16.077 19.727 -12.293 738 HA PRO 101 HA PRO 101 -16.903 16.354 -18.419 739 1HB PRO 101 2HB PRO 101 -18.373 17.502 -20.420 740 2HB PRO 101 1HB PRO 101 -19.099 16.661 -19.036 741 1HG PRO 101 2HG PRO 101 -18.795 19.573 -19.536 742 2HG PRO 101 1HG PRO 101 -20.122 18.688 -18.767 743 1HD PRO 101 2HD PRO 101 -18.200 20.086 -17.367 744 2HD PRO 101 1HD PRO 101 -19.114 18.718 -16.697 745 H VAL 102 H VAL 102 -17.203 19.307 -20.360 746 HA VAL 102 HA VAL 102 -15.774 20.112 -22.050 747 HB VAL 102 HB VAL 102 -13.551 19.501 -20.099 748 1HG1 VAL 102 1HG1 VAL 102 -13.538 22.139 -21.202 749 2HG1 VAL 102 2HG1 VAL 102 -13.820 21.002 -22.519 750 3HG1 VAL 102 3HG1 VAL 102 -12.394 20.831 -21.497 751 1HG2 VAL 102 1HG2 VAL 102 -15.320 20.416 -18.729 752 2HG2 VAL 102 2HG2 VAL 102 -15.682 21.652 -19.934 753 3HG2 VAL 102 3HG2 VAL 102 -14.166 21.713 -19.036 754 H LYS 103 H LYS 103 -12.840 19.094 -21.959 755 HA LYS 103 HA LYS 103 -13.269 16.934 -23.878 756 1HB LYS 103 2HB LYS 103 -11.384 18.750 -23.838 757 2HB LYS 103 1HB LYS 103 -10.586 17.647 -22.715 758 1HG LYS 103 2HG LYS 103 -10.758 15.828 -24.370 759 2HG LYS 103 1HG LYS 103 -11.560 16.924 -25.495 760 1HD LYS 103 2HD LYS 103 -9.609 18.283 -25.717 761 2HD LYS 103 1HD LYS 103 -8.827 17.505 -24.340 762 1HE LYS 103 2HE LYS 103 -9.463 15.410 -26.103 763 2HE LYS 103 1HE LYS 103 -8.833 16.701 -27.126 764 1HZ LYS 103 1HZ LYS 103 -7.409 16.144 -24.639 765 2HZ LYS 103 2HZ LYS 103 -6.806 16.615 -26.156 766 3HZ LYS 103 3HZ LYS 103 -7.261 15.002 -25.885 767 H VAL 104 H VAL 104 -13.155 17.071 -20.535 768 HA VAL 104 HA VAL 104 -12.483 15.495 -18.875 769 HB VAL 104 HB VAL 104 -14.774 14.872 -19.588 770 1HG1 VAL 104 1HG1 VAL 104 -15.048 13.007 -21.197 771 2HG1 VAL 104 2HG1 VAL 104 -13.310 13.016 -21.490 772 3HG1 VAL 104 3HG1 VAL 104 -14.291 14.406 -21.953 773 1HG2 VAL 104 1HG2 VAL 104 -14.754 12.941 -18.346 774 2HG2 VAL 104 2HG2 VAL 104 -13.086 13.429 -18.044 775 3HG2 VAL 104 3HG2 VAL 104 -13.444 12.228 -19.286 776 H HIS 105 H HIS 105 -10.355 15.794 -20.712 777 HA HIS 105 HA HIS 105 -9.482 13.262 -21.780 778 1HB HIS 105 2HB HIS 105 -7.447 14.353 -22.276 779 2HB HIS 105 1HB HIS 105 -8.638 15.652 -22.344 780 HD2 HIS 105 HD2 HIS 105 -8.352 17.629 -20.357 781 HE1 HIS 105 HE1 HIS 105 -5.059 15.871 -18.382 782 HE2 HIS 105 HE2 HIS 105 -6.519 17.940 -18.527 783 H CYS 106 H CYS 106 -9.365 14.712 -18.617 784 HA CYS 106 HA CYS 106 -7.189 13.271 -17.491 785 1HB CYS 106 2HB CYS 106 -8.219 15.089 -16.261 786 2HB CYS 106 1HB CYS 106 -9.766 14.245 -16.228 787 HG CYS 106 HG CYS 106 -7.994 13.938 -14.039 788 H SER 107 H SER 107 -10.622 12.498 -16.843 789 HA SER 107 HA SER 107 -10.271 9.910 -15.891 790 1HB SER 107 2HB SER 107 -12.498 10.909 -17.691 791 2HB SER 107 1HB SER 107 -12.563 9.430 -16.738 792 HG SER 107 HG SER 107 -12.894 10.579 -15.002 793 H ILE 108 H ILE 108 -10.485 10.940 -19.292 794 HA ILE 108 HA ILE 108 -10.461 8.397 -20.513 795 HB ILE 108 HB ILE 108 -9.197 11.007 -21.395 796 1HG1 ILE 108 2HG1 ILE 108 -11.700 9.613 -22.382 797 2HG1 ILE 108 1HG1 ILE 108 -11.722 10.822 -21.097 798 1HG2 ILE 108 1HG2 ILE 108 -8.038 9.461 -22.709 799 2HG2 ILE 108 2HG2 ILE 108 -9.461 9.774 -23.703 800 3HG2 ILE 108 3HG2 ILE 108 -9.378 8.314 -22.719 801 1HD1 ILE 108 1HD1 ILE 108 -11.458 12.531 -22.556 802 2HD1 ILE 108 2HD1 ILE 108 -11.886 11.365 -23.808 803 3HD1 ILE 108 3HD1 ILE 108 -10.191 11.684 -23.441 804 H LEU 109 H LEU 109 -7.544 10.460 -20.274 805 HA LEU 109 HA LEU 109 -5.572 8.659 -20.822 806 1HB LEU 109 2HB LEU 109 -5.761 10.929 -18.930 807 2HB LEU 109 1HB LEU 109 -4.437 9.803 -18.625 808 HG LEU 109 HG LEU 109 -3.756 10.013 -21.015 809 1HD1 LEU 109 1HD1 LEU 109 -5.175 12.483 -21.542 810 2HD1 LEU 109 2HD1 LEU 109 -6.317 11.171 -21.257 811 3HD1 LEU 109 3HD1 LEU 109 -5.097 11.019 -22.521 812 1HD2 LEU 109 1HD2 LEU 109 -3.951 12.558 -19.375 813 2HD2 LEU 109 2HD2 LEU 109 -2.940 12.396 -20.811 814 3HD2 LEU 109 3HD2 LEU 109 -2.620 11.402 -19.390 815 H ALA 110 H ALA 110 -7.500 8.723 -17.863 816 HA ALA 110 HA ALA 110 -5.997 6.818 -16.367 817 1HB ALA 110 1HB ALA 110 -8.947 6.710 -16.104 818 2HB ALA 110 2HB ALA 110 -8.222 8.300 -15.867 819 3HB ALA 110 3HB ALA 110 -7.713 6.942 -14.864 820 H GLU 111 H GLU 111 -9.158 6.110 -17.879 821 HA GLU 111 HA GLU 111 -8.838 3.309 -17.925 822 1HB GLU 111 2HB GLU 111 -11.015 4.012 -18.400 823 2HB GLU 111 1HB GLU 111 -10.476 5.234 -19.550 824 1HG GLU 111 2HG GLU 111 -9.934 3.572 -21.197 825 2HG GLU 111 1HG GLU 111 -10.150 2.264 -20.033 826 H ASP 112 H ASP 112 -7.832 5.737 -20.309 827 HA ASP 112 HA ASP 112 -7.033 3.933 -22.366 828 1HB ASP 112 2HB ASP 112 -7.124 6.627 -22.170 829 2HB ASP 112 1HB ASP 112 -5.392 6.375 -21.952 830 H ALA 113 H ALA 113 -5.485 4.871 -19.365 831 HA ALA 113 HA ALA 113 -2.874 3.799 -20.120 832 1HB ALA 113 1HB ALA 113 -3.673 4.150 -17.259 833 2HB ALA 113 2HB ALA 113 -3.549 5.589 -18.270 834 3HB ALA 113 3HB ALA 113 -2.147 4.542 -18.052 835 H ILE 114 H ILE 114 -5.317 2.782 -17.698 836 HA ILE 114 HA ILE 114 -4.256 0.336 -16.953 837 HB ILE 114 HB ILE 114 -6.597 1.548 -16.444 838 1HG1 ILE 114 2HG1 ILE 114 -7.327 -0.704 -15.455 839 2HG1 ILE 114 1HG1 ILE 114 -5.882 -1.383 -16.204 840 1HG2 ILE 114 1HG2 ILE 114 -7.391 -0.782 -18.211 841 2HG2 ILE 114 2HG2 ILE 114 -7.448 0.901 -18.736 842 3HG2 ILE 114 3HG2 ILE 114 -8.464 0.359 -17.399 843 1HD1 ILE 114 1HD1 ILE 114 -5.982 -0.204 -13.700 844 2HD1 ILE 114 2HD1 ILE 114 -5.344 1.087 -14.716 845 3HD1 ILE 114 3HD1 ILE 114 -4.518 -0.468 -14.646 846 H LYS 115 H LYS 115 -6.046 1.060 -19.933 847 HA LYS 115 HA LYS 115 -6.122 -1.653 -20.892 848 1HB LYS 115 2HB LYS 115 -6.934 0.947 -21.811 849 2HB LYS 115 1HB LYS 115 -6.041 0.142 -23.101 850 1HG LYS 115 2HG LYS 115 -8.167 -1.349 -21.574 851 2HG LYS 115 1HG LYS 115 -8.610 -0.278 -22.903 852 1HD LYS 115 2HD LYS 115 -6.895 -1.525 -24.316 853 2HD LYS 115 1HD LYS 115 -6.816 -2.711 -23.013 854 1HE LYS 115 2HE LYS 115 -9.309 -1.914 -24.546 855 2HE LYS 115 1HE LYS 115 -8.434 -3.437 -24.709 856 1HZ LYS 115 1HZ LYS 115 -8.832 -3.694 -22.234 857 2HZ LYS 115 2HZ LYS 115 -10.179 -3.892 -23.250 858 3HZ LYS 115 3HZ LYS 115 -9.970 -2.444 -22.386 859 H ALA 116 H ALA 116 -4.019 1.089 -21.851 860 HA ALA 116 HA ALA 116 -2.305 -0.214 -23.600 861 1HB ALA 116 1HB ALA 116 -2.285 2.238 -22.520 862 2HB ALA 116 2HB ALA 116 -0.858 1.556 -23.300 863 3HB ALA 116 3HB ALA 116 -1.007 1.516 -21.543 864 H ALA 117 H ALA 117 -1.943 -0.111 -20.040 865 HA ALA 117 HA ALA 117 0.366 -1.731 -19.862 866 1HB ALA 117 1HB ALA 117 -1.518 -2.324 -17.731 867 2HB ALA 117 2HB ALA 117 -1.462 -0.592 -18.061 868 3HB ALA 117 3HB ALA 117 0.017 -1.461 -17.650 869 H ILE 118 H ILE 118 -3.021 -2.821 -19.418 870 HA ILE 118 HA ILE 118 -2.516 -5.581 -19.370 871 HB ILE 118 HB ILE 118 -4.884 -4.136 -20.597 872 1HG1 ILE 118 2HG1 ILE 118 -4.718 -5.418 -17.868 873 2HG1 ILE 118 1HG1 ILE 118 -4.207 -3.748 -18.120 874 1HG2 ILE 118 1HG2 ILE 118 -5.872 -6.476 -19.686 875 2HG2 ILE 118 2HG2 ILE 118 -4.244 -7.003 -20.114 876 3HG2 ILE 118 3HG2 ILE 118 -5.285 -6.274 -21.337 877 1HD1 ILE 118 1HD1 ILE 118 -6.948 -4.909 -18.683 878 2HD1 ILE 118 2HD1 ILE 118 -6.453 -3.278 -19.138 879 3HD1 ILE 118 3HD1 ILE 118 -6.533 -3.733 -17.436 880 H ALA 119 H ALA 119 -2.323 -3.372 -22.040 881 HA ALA 119 HA ALA 119 -2.581 -5.361 -24.137 882 1HB ALA 119 1HB ALA 119 -2.748 -2.727 -24.238 883 2HB ALA 119 2HB ALA 119 -2.116 -3.624 -25.619 884 3HB ALA 119 3HB ALA 119 -1.007 -2.831 -24.500 885 H ASP 120 H ASP 120 0.225 -3.698 -22.660 886 HA ASP 120 HA ASP 120 2.174 -5.243 -24.117 887 1HB ASP 120 2HB ASP 120 2.743 -3.077 -23.111 888 2HB ASP 120 1HB ASP 120 2.428 -3.728 -21.502 889 H TYR 121 H TYR 121 0.993 -5.459 -20.743 890 HA TYR 121 HA TYR 121 2.473 -7.658 -19.873 891 1HB TYR 121 2HB TYR 121 1.027 -6.618 -18.296 892 2HB TYR 121 1HB TYR 121 -0.389 -6.860 -19.319 893 HD1 TYR 121 HD1 TYR 121 -1.851 -8.476 -18.519 894 HD2 TYR 121 HD2 TYR 121 2.374 -9.035 -17.989 895 HE1 TYR 121 HE1 TYR 121 -2.279 -10.654 -17.413 896 HE2 TYR 121 HE2 TYR 121 1.948 -11.213 -16.883 897 HH TYR 121 HH TYR 121 0.199 -12.381 -15.742 898 H LYS 122 H LYS 122 -0.660 -7.772 -21.606 899 HA LYS 122 HA LYS 122 -0.729 -10.632 -21.806 900 1HB LYS 122 2HB LYS 122 -2.209 -8.353 -22.933 901 2HB LYS 122 1HB LYS 122 -2.131 -9.749 -24.007 902 1HG LYS 122 2HG LYS 122 -2.917 -11.190 -22.125 903 2HG LYS 122 1HG LYS 122 -3.102 -9.742 -21.136 904 1HD LYS 122 2HD LYS 122 -4.950 -9.017 -22.294 905 2HD LYS 122 1HD LYS 122 -4.396 -9.711 -23.817 906 1HE LYS 122 2HE LYS 122 -5.024 -11.658 -21.670 907 2HE LYS 122 1HE LYS 122 -6.401 -10.786 -22.345 908 1HZ LYS 122 1HZ LYS 122 -4.488 -11.781 -24.279 909 2HZ LYS 122 2HZ LYS 122 -6.187 -11.795 -24.322 910 3HZ LYS 122 3HZ LYS 122 -5.347 -12.978 -23.438 911 H ALA 123 H ALA 123 0.568 -8.109 -23.944 912 HA ALA 123 HA ALA 123 1.146 -9.496 -26.256 913 1HB ALA 123 1HB ALA 123 2.652 -7.832 -26.717 914 2HB ALA 123 2HB ALA 123 3.442 -7.972 -25.147 915 3HB ALA 123 3HB ALA 123 1.919 -7.093 -25.293 916 H LYS 124 H LYS 124 2.995 -9.677 -23.212 917 HA LYS 124 HA LYS 124 5.109 -11.315 -24.079 918 1HB LYS 124 2HB LYS 124 4.908 -10.317 -21.797 919 2HB LYS 124 1HB LYS 124 3.676 -11.520 -21.416 920 1HG LYS 124 2HG LYS 124 5.592 -12.568 -20.604 921 2HG LYS 124 1HG LYS 124 5.505 -13.228 -22.239 922 1HD LYS 124 2HD LYS 124 6.898 -10.876 -22.623 923 2HD LYS 124 1HD LYS 124 7.499 -11.422 -21.057 924 1HE LYS 124 2HE LYS 124 7.790 -13.727 -22.157 925 2HE LYS 124 1HE LYS 124 7.565 -12.893 -23.694 926 1HZ LYS 124 1HZ LYS 124 9.931 -13.181 -22.597 927 2HZ LYS 124 2HZ LYS 124 9.475 -11.748 -21.804 928 3HZ LYS 124 3HZ LYS 124 9.527 -11.805 -23.502 929 H GLN 125 H GLN 125 1.858 -12.296 -22.972 930 HA GLN 125 HA GLN 125 2.185 -15.079 -23.002 931 1HB GLN 125 2HB GLN 125 -0.106 -13.237 -23.469 932 2HB GLN 125 1HB GLN 125 -0.312 -14.907 -23.998 933 1HG GLN 125 2HG GLN 125 0.567 -14.062 -21.221 934 2HG GLN 125 1HG GLN 125 -1.064 -14.580 -21.652 935 1HE2 GLN 125 1HE2 GLN 125 1.749 -15.744 -20.309 936 2HE2 GLN 125 2HE2 GLN 125 1.598 -17.384 -20.720 937 H GLY 126 H GLY 126 2.218 -12.870 -25.675 938 1HA GLY 126 2HA GLY 126 3.076 -13.454 -27.844 939 2HA GLY 126 1HA GLY 126 2.738 -15.149 -27.493 940 H LEU 127 H LEU 127 0.358 -12.642 -26.907 941 HA LEU 127 HA LEU 127 -1.792 -12.365 -27.809 942 1HB LEU 127 2HB LEU 127 -0.071 -12.907 -30.224 943 2HB LEU 127 1HB LEU 127 -1.812 -12.671 -30.395 944 HG LEU 127 HG LEU 127 -0.014 -10.722 -28.934 945 1HD1 LEU 127 1HD1 LEU 127 -0.030 -9.359 -30.939 946 2HD1 LEU 127 2HD1 LEU 127 -1.082 -10.510 -31.764 947 3HD1 LEU 127 3HD1 LEU 127 0.578 -10.958 -31.368 948 1HD2 LEU 127 1HD2 LEU 127 -2.894 -10.978 -29.483 949 2HD2 LEU 127 2HD2 LEU 127 -2.232 -9.400 -29.909 950 3HD2 LEU 127 3HD2 LEU 127 -2.065 -10.011 -28.262 951 H GLU 128 H GLU 128 -0.609 -15.208 -27.159 952 HA GLU 128 HA GLU 128 -1.489 -17.382 -27.124 953 1HB GLU 128 2HB GLU 128 -3.737 -15.585 -27.297 954 2HB GLU 128 1HB GLU 128 -4.075 -17.037 -28.241 955 1HG GLU 128 2HG GLU 128 -2.934 -17.211 -25.451 956 2HG GLU 128 1HG GLU 128 -4.673 -17.094 -25.728 957 H HIS 129 H HIS 129 -2.965 -18.869 -28.805 958 HA HIS 129 HA HIS 129 -2.787 -18.316 -31.586 959 1HB HIS 129 2HB HIS 129 -0.793 -20.196 -31.721 960 2HB HIS 129 1HB HIS 129 -0.534 -18.457 -31.860 961 HD2 HIS 129 HD2 HIS 129 -1.184 -20.382 -28.441 962 HE1 HIS 129 HE1 HIS 129 2.584 -18.483 -28.257 963 HE2 HIS 129 HE2 HIS 129 0.884 -19.836 -26.948 964 H HIS 130 H HIS 130 -4.863 -19.401 -31.147 965 HA HIS 130 HA HIS 130 -4.565 -22.359 -31.325 966 1HB HIS 130 2HB HIS 130 -5.159 -21.948 -29.006 967 2HB HIS 130 1HB HIS 130 -6.463 -20.863 -29.492 968 HD2 HIS 130 HD2 HIS 130 -8.420 -22.661 -28.377 969 HE1 HIS 130 HE1 HIS 130 -7.763 -25.732 -31.201 970 HE2 HIS 130 HE2 HIS 130 -9.291 -24.920 -29.347 971 H HIS 131 H HIS 131 -5.394 -19.805 -32.984 972 HA HIS 131 HA HIS 131 -8.087 -19.947 -33.741 973 1HB HIS 131 2HB HIS 131 -5.584 -19.331 -35.308 974 2HB HIS 131 1HB HIS 131 -7.169 -19.302 -36.080 975 HD2 HIS 131 HD2 HIS 131 -8.623 -16.976 -35.603 976 HE1 HIS 131 HE1 HIS 131 -6.165 -15.399 -32.551 977 HE2 HIS 131 HE2 HIS 131 -8.163 -14.936 -34.044 978 H HIS 132 H HIS 132 -9.044 -20.999 -35.689 979 HA HIS 132 HA HIS 132 -7.766 -23.224 -36.979 980 1HB HIS 132 2HB HIS 132 -9.271 -24.994 -35.895 981 2HB HIS 132 1HB HIS 132 -7.918 -24.419 -34.922 982 HD2 HIS 132 HD2 HIS 132 -10.444 -25.458 -33.181 983 HE1 HIS 132 HE1 HIS 132 -11.493 -21.389 -32.754 984 HE2 HIS 132 HE2 HIS 132 -11.853 -23.726 -31.833 985 H HIS 133 H HIS 133 -8.923 -21.578 -38.467 986 HA HIS 133 HA HIS 133 -11.830 -22.185 -38.705 987 1HB HIS 133 2HB HIS 133 -10.181 -20.086 -40.147 988 2HB HIS 133 1HB HIS 133 -11.939 -20.236 -40.169 989 HD2 HIS 133 HD2 HIS 133 -10.301 -17.586 -38.755 990 HE1 HIS 133 HE1 HIS 133 -11.954 -19.170 -35.206 991 HE2 HIS 133 HE2 HIS 133 -10.901 -17.118 -36.260 992 H HIS 134 HN HIS 134 -10.695 -21.074 -41.620 993 HA HIS 134 HA HIS 134 -10.796 -22.217 -43.703 994 1HB HIS 134 2HB HIS 134 -8.545 -23.552 -42.174 995 2HB HIS 134 1HB HIS 134 -8.811 -23.763 -43.905 996 HD2 HIS 134 HD2 HIS 134 -9.611 -20.157 -43.034 997 HE1 HIS 134 HE1 HIS 134 -5.542 -20.156 -44.169 998 HE2 HIS 134 HE2 HIS 134 -7.555 -18.690 -43.686 Start of MODEL 18 1 1H MET 1 1H MET 1 15.249 -19.207 -35.955 2 2H MET 1 2H MET 1 16.033 -19.199 -34.448 3 3H MET 1 3H MET 1 15.237 -20.599 -34.987 4 HA MET 1 HA MET 1 17.305 -19.578 -36.749 5 1HB MET 1 2HB MET 1 18.084 -21.084 -34.248 6 2HB MET 1 1HB MET 1 19.140 -20.298 -35.421 7 1HG MET 1 2HG MET 1 19.147 -18.600 -33.898 8 2HG MET 1 1HG MET 1 17.606 -18.187 -34.651 9 1HE MET 1 1HE MET 1 19.328 -18.981 -31.290 10 2HE MET 1 2HE MET 1 17.984 -18.142 -30.517 11 3HE MET 1 3HE MET 1 18.749 -17.440 -31.940 12 H ALA 2 H ALA 2 17.162 -21.077 -38.344 13 HA ALA 2 HA ALA 2 16.887 -23.146 -39.413 14 1HB ALA 2 1HB ALA 2 18.603 -23.563 -37.260 15 2HB ALA 2 2HB ALA 2 18.300 -24.698 -38.576 16 3HB ALA 2 3HB ALA 2 17.384 -24.825 -37.074 17 H TYR 3 H TYR 3 15.943 -25.607 -38.301 18 HA TYR 3 HA TYR 3 13.117 -24.824 -37.784 19 1HB TYR 3 2HB TYR 3 14.454 -27.040 -39.180 20 2HB TYR 3 1HB TYR 3 13.131 -27.561 -38.136 21 HD1 TYR 3 HD1 TYR 3 11.023 -27.643 -39.110 22 HD2 TYR 3 HD2 TYR 3 13.864 -24.742 -40.513 23 HE1 TYR 3 HE1 TYR 3 9.383 -26.850 -40.792 24 HE2 TYR 3 HE2 TYR 3 12.224 -23.950 -42.195 25 HH TYR 3 HH TYR 3 8.932 -24.826 -42.104 26 H SER 4 H SER 4 15.842 -25.784 -36.094 27 HA SER 4 HA SER 4 14.132 -26.791 -33.863 28 1HB SER 4 2HB SER 4 15.763 -28.458 -35.235 29 2HB SER 4 1HB SER 4 16.907 -27.837 -34.049 30 HG SER 4 HG SER 4 15.364 -29.755 -33.595 31 H GLU 5 H GLU 5 15.218 -26.496 -31.716 32 HA GLU 5 HA GLU 5 16.505 -25.252 -30.183 33 1HB GLU 5 2HB GLU 5 18.235 -25.544 -32.243 34 2HB GLU 5 1HB GLU 5 18.010 -23.795 -32.292 35 1HG GLU 5 2HG GLU 5 19.880 -24.345 -30.809 36 2HG GLU 5 1HG GLU 5 18.545 -23.683 -29.866 37 H LYS 6 H LYS 6 14.059 -24.308 -30.670 38 HA LYS 6 HA LYS 6 14.120 -21.559 -31.679 39 1HB LYS 6 2HB LYS 6 12.115 -23.067 -31.886 40 2HB LYS 6 1HB LYS 6 11.919 -22.962 -30.136 41 1HG LYS 6 2HG LYS 6 12.241 -20.346 -31.434 42 2HG LYS 6 1HG LYS 6 10.800 -21.217 -31.957 43 1HD LYS 6 2HD LYS 6 10.247 -21.603 -29.526 44 2HD LYS 6 1HD LYS 6 11.583 -20.527 -29.112 45 1HE LYS 6 2HE LYS 6 10.122 -18.819 -29.306 46 2HE LYS 6 1HE LYS 6 10.139 -19.116 -31.044 47 1HZ LYS 6 1HZ LYS 6 8.124 -19.778 -29.073 48 2HZ LYS 6 2HZ LYS 6 8.443 -21.000 -30.210 49 3HZ LYS 6 3HZ LYS 6 7.959 -19.457 -30.730 50 H VAL 7 H VAL 7 13.399 -23.026 -28.486 51 HA VAL 7 HA VAL 7 13.376 -20.591 -27.031 52 HB VAL 7 HB VAL 7 14.400 -23.213 -25.922 53 1HG1 VAL 7 1HG1 VAL 7 12.649 -22.085 -24.125 54 2HG1 VAL 7 2HG1 VAL 7 13.388 -20.659 -24.852 55 3HG1 VAL 7 3HG1 VAL 7 14.399 -21.880 -24.082 56 1HG2 VAL 7 1HG2 VAL 7 11.970 -23.727 -25.490 57 2HG2 VAL 7 2HG2 VAL 7 12.412 -23.765 -27.196 58 3HG2 VAL 7 3HG2 VAL 7 11.551 -22.374 -26.540 59 H ILE 8 H ILE 8 15.051 -19.586 -25.755 60 HA ILE 8 HA ILE 8 17.620 -19.492 -27.045 61 HB ILE 8 HB ILE 8 17.043 -18.549 -24.231 62 1HG1 ILE 8 2HG1 ILE 8 16.718 -16.519 -26.278 63 2HG1 ILE 8 1HG1 ILE 8 15.587 -17.846 -26.543 64 1HG2 ILE 8 1HG2 ILE 8 18.872 -17.575 -26.448 65 2HG2 ILE 8 2HG2 ILE 8 19.374 -18.411 -24.978 66 3HG2 ILE 8 3HG2 ILE 8 18.680 -16.792 -24.878 67 1HD1 ILE 8 1HD1 ILE 8 14.948 -17.684 -24.110 68 2HD1 ILE 8 2HD1 ILE 8 14.524 -16.260 -25.060 69 3HD1 ILE 8 3HD1 ILE 8 15.937 -16.228 -24.005 70 H ASP 9 H ASP 9 16.743 -20.643 -23.762 71 HA ASP 9 HA ASP 9 18.717 -22.828 -24.056 72 1HB ASP 9 2HB ASP 9 18.836 -20.980 -21.663 73 2HB ASP 9 1HB ASP 9 19.974 -22.255 -22.102 74 H HIS 10 H HIS 10 18.357 -24.536 -22.498 75 HA HIS 10 HA HIS 10 15.591 -24.509 -21.431 76 1HB HIS 10 2HB HIS 10 16.282 -26.995 -20.937 77 2HB HIS 10 1HB HIS 10 15.932 -26.507 -22.594 78 HD2 HIS 10 HD2 HIS 10 18.544 -25.578 -23.919 79 HE1 HIS 10 HE1 HIS 10 20.703 -28.513 -21.782 80 HE2 HIS 10 HE2 HIS 10 20.783 -26.906 -23.743 81 H TYR 11 H TYR 11 16.801 -22.832 -19.852 82 HA TYR 11 HA TYR 11 16.986 -24.212 -17.295 83 1HB TYR 11 2HB TYR 11 19.261 -24.626 -17.936 84 2HB TYR 11 1HB TYR 11 19.458 -22.978 -18.533 85 HD1 TYR 11 HD1 TYR 11 20.667 -21.551 -17.155 86 HD2 TYR 11 HD2 TYR 11 18.283 -24.650 -15.378 87 HE1 TYR 11 HE1 TYR 11 21.394 -20.818 -14.900 88 HE2 TYR 11 HE2 TYR 11 19.010 -23.918 -13.123 89 HH TYR 11 HH TYR 11 21.579 -21.664 -12.664 90 H GLU 12 H GLU 12 16.744 -22.738 -15.557 91 HA GLU 12 HA GLU 12 16.722 -19.844 -16.204 92 1HB GLU 12 2HB GLU 12 14.338 -21.450 -15.269 93 2HB GLU 12 1HB GLU 12 14.448 -19.708 -15.013 94 1HG GLU 12 2HG GLU 12 14.907 -19.506 -17.517 95 2HG GLU 12 1HG GLU 12 14.413 -21.195 -17.646 96 H ASN 13 H ASN 13 14.936 -20.263 -13.476 97 HA ASN 13 HA ASN 13 17.210 -20.724 -11.645 98 1HB ASN 13 2HB ASN 13 15.922 -18.409 -10.642 99 2HB ASN 13 1HB ASN 13 17.571 -18.534 -11.255 100 1HD2 ASN 13 1HD2 ASN 13 14.903 -16.683 -11.672 101 2HD2 ASN 13 2HD2 ASN 13 15.042 -16.311 -13.323 102 HA PRO 14 HA PRO 14 14.077 -22.436 -9.074 103 1HB PRO 14 2HB PRO 14 14.912 -21.704 -6.562 104 2HB PRO 14 1HB PRO 14 15.682 -22.981 -7.522 105 1HG PRO 14 2HG PRO 14 16.537 -20.170 -7.077 106 2HG PRO 14 1HG PRO 14 17.512 -21.644 -7.215 107 1HD PRO 14 2HD PRO 14 17.231 -19.835 -9.259 108 2HD PRO 14 1HD PRO 14 17.550 -21.563 -9.523 109 H ARG 15 H ARG 15 14.757 -19.011 -8.622 110 HA ARG 15 HA ARG 15 12.398 -18.458 -7.025 111 1HB ARG 15 2HB ARG 15 14.603 -16.945 -8.220 112 2HB ARG 15 1HB ARG 15 13.066 -16.085 -8.303 113 1HG ARG 15 2HG ARG 15 14.172 -17.342 -5.777 114 2HG ARG 15 1HG ARG 15 14.341 -15.634 -6.193 115 1HD ARG 15 2HD ARG 15 11.625 -16.161 -6.555 116 2HD ARG 15 1HD ARG 15 12.039 -17.048 -5.090 117 HE ARG 15 HE ARG 15 11.607 -14.303 -5.128 118 1HH1 ARG 15 1HH2 ARG 15 14.260 -16.394 -4.411 119 2HH1 ARG 15 2HH2 ARG 15 15.025 -15.267 -3.345 120 1HH2 ARG 15 2HH1 ARG 15 12.593 -12.831 -3.739 121 2HH2 ARG 15 1HH1 ARG 15 14.083 -13.253 -2.964 122 H ASN 16 H ASN 16 10.333 -18.352 -7.778 123 HA ASN 16 HA ASN 16 9.910 -17.598 -10.631 124 1HB ASN 16 2HB ASN 16 9.735 -20.197 -9.866 125 2HB ASN 16 1HB ASN 16 8.087 -19.664 -9.530 126 1HD2 ASN 16 1HD2 ASN 16 9.982 -20.945 -11.973 127 2HD2 ASN 16 2HD2 ASN 16 9.096 -20.402 -13.316 128 H VAL 17 H VAL 17 9.369 -16.755 -7.558 129 HA VAL 17 HA VAL 17 6.594 -15.791 -8.129 130 HB VAL 17 HB VAL 17 6.740 -15.548 -5.452 131 1HG1 VAL 17 1HG1 VAL 17 5.095 -16.841 -6.892 132 2HG1 VAL 17 2HG1 VAL 17 5.440 -17.565 -5.321 133 3HG1 VAL 17 3HG1 VAL 17 6.194 -18.216 -6.777 134 1HG2 VAL 17 1HG2 VAL 17 8.152 -17.060 -4.414 135 2HG2 VAL 17 2HG2 VAL 17 9.137 -16.667 -5.822 136 3HG2 VAL 17 3HG2 VAL 17 8.179 -18.147 -5.802 137 H GLY 18 H GLY 18 9.214 -14.530 -8.810 138 1HA GLY 18 2HA GLY 18 8.772 -11.983 -7.314 139 2HA GLY 18 1HA GLY 18 10.409 -12.584 -7.586 140 H SER 19 H SER 19 9.461 -10.064 -8.554 141 HA SER 19 HA SER 19 9.884 -10.516 -11.456 142 1HB SER 19 2HB SER 19 8.014 -9.234 -12.135 143 2HB SER 19 1HB SER 19 7.379 -10.275 -10.864 144 HG SER 19 HG SER 19 7.845 -7.534 -10.891 145 H LEU 20 H LEU 20 8.937 -7.462 -11.373 146 HA LEU 20 HA LEU 20 9.986 -5.377 -11.011 147 1HB LEU 20 2HB LEU 20 10.892 -6.877 -8.880 148 2HB LEU 20 1HB LEU 20 12.393 -6.415 -9.682 149 HG LEU 20 HG LEU 20 11.548 -4.039 -9.717 150 1HD1 LEU 20 1HD1 LEU 20 9.313 -3.866 -9.357 151 2HD1 LEU 20 2HD1 LEU 20 9.735 -3.976 -7.648 152 3HD1 LEU 20 3HD1 LEU 20 9.236 -5.421 -8.529 153 1HD2 LEU 20 1HD2 LEU 20 13.119 -4.927 -7.976 154 2HD2 LEU 20 2HD2 LEU 20 11.725 -5.292 -6.958 155 3HD2 LEU 20 3HD2 LEU 20 12.096 -3.620 -7.379 156 H ASP 21 H ASP 21 11.786 -8.184 -12.093 157 HA ASP 21 HA ASP 21 14.099 -7.088 -13.173 158 1HB ASP 21 2HB ASP 21 12.492 -8.934 -14.904 159 2HB ASP 21 1HB ASP 21 14.218 -8.964 -14.541 160 H LYS 22 H LYS 22 10.877 -6.272 -13.973 161 HA LYS 22 HA LYS 22 10.131 -4.545 -15.404 162 1HB LYS 22 2HB LYS 22 12.659 -3.797 -15.081 163 2HB LYS 22 1HB LYS 22 12.801 -4.363 -16.747 164 1HG LYS 22 2HG LYS 22 10.793 -2.925 -17.305 165 2HG LYS 22 1HG LYS 22 10.924 -2.235 -15.686 166 1HD LYS 22 2HD LYS 22 13.099 -1.347 -16.140 167 2HD LYS 22 1HD LYS 22 13.238 -2.273 -17.635 168 1HE LYS 22 2HE LYS 22 10.994 -0.935 -18.218 169 2HE LYS 22 1HE LYS 22 11.698 0.222 -17.088 170 1HZ LYS 22 1HZ LYS 22 13.402 0.680 -18.469 171 2HZ LYS 22 2HZ LYS 22 12.303 0.171 -19.661 172 3HZ LYS 22 3HZ LYS 22 13.492 -0.897 -19.085 173 H LYS 23 H LYS 23 11.916 -7.322 -16.462 174 HA LYS 23 HA LYS 23 10.456 -7.220 -19.074 175 1HB LYS 23 2HB LYS 23 12.374 -9.051 -19.552 176 2HB LYS 23 1HB LYS 23 12.627 -7.326 -19.824 177 1HG LYS 23 2HG LYS 23 13.603 -7.101 -17.576 178 2HG LYS 23 1HG LYS 23 13.333 -8.819 -17.280 179 1HD LYS 23 2HD LYS 23 14.951 -9.476 -18.854 180 2HD LYS 23 1HD LYS 23 14.921 -7.913 -19.674 181 1HE LYS 23 2HE LYS 23 16.220 -6.877 -18.039 182 2HE LYS 23 1HE LYS 23 15.770 -8.046 -16.797 183 1HZ LYS 23 1HZ LYS 23 16.985 -9.700 -18.347 184 2HZ LYS 23 2HZ LYS 23 17.895 -8.693 -17.325 185 3HZ LYS 23 3HZ LYS 23 17.732 -8.312 -18.973 186 H ASP 24 H ASP 24 9.339 -8.215 -16.590 187 HA ASP 24 HA ASP 24 9.346 -11.163 -17.027 188 1HB ASP 24 2HB ASP 24 9.628 -9.878 -14.699 189 2HB ASP 24 1HB ASP 24 7.865 -9.906 -14.758 190 H SER 25 H SER 25 7.230 -12.261 -17.050 191 HA SER 25 HA SER 25 5.248 -10.673 -18.556 192 1HB SER 25 2HB SER 25 4.827 -13.551 -17.842 193 2HB SER 25 1HB SER 25 4.404 -12.694 -19.322 194 HG SER 25 HG SER 25 6.948 -12.489 -19.249 195 H ASN 26 H ASN 26 5.815 -10.747 -15.444 196 HA ASN 26 HA ASN 26 2.978 -11.206 -14.626 197 1HB ASN 26 2HB ASN 26 5.243 -10.828 -12.685 198 2HB ASN 26 1HB ASN 26 3.735 -11.715 -12.469 199 1HD2 ASN 26 1HD2 ASN 26 6.517 -12.748 -12.099 200 2HD2 ASN 26 2HD2 ASN 26 6.671 -14.054 -13.171 201 H VAL 27 H VAL 27 4.472 -8.759 -15.863 202 HA VAL 27 HA VAL 27 3.163 -6.797 -14.076 203 HB VAL 27 HB VAL 27 6.101 -6.724 -14.814 204 1HG1 VAL 27 1HG1 VAL 27 4.238 -4.580 -13.781 205 2HG1 VAL 27 2HG1 VAL 27 5.343 -4.498 -15.154 206 3HG1 VAL 27 3HG1 VAL 27 5.980 -4.508 -13.509 207 1HG2 VAL 27 1HG2 VAL 27 5.508 -8.030 -12.798 208 2HG2 VAL 27 2HG2 VAL 27 4.641 -6.635 -12.153 209 3HG2 VAL 27 3HG2 VAL 27 6.390 -6.564 -12.367 210 H GLY 28 H GLY 28 1.886 -5.658 -15.446 211 1HA GLY 28 2HA GLY 28 2.624 -5.448 -18.298 212 2HA GLY 28 1HA GLY 28 1.086 -4.950 -17.587 213 H THR 29 H THR 29 3.226 -3.520 -19.290 214 HA THR 29 HA THR 29 3.519 -1.155 -17.479 215 HB THR 29 HB THR 29 5.325 -2.130 -19.709 216 HG1 THR 29 HG1 THR 29 5.716 -3.095 -17.737 217 1HG2 THR 29 1HG2 THR 29 4.831 0.554 -18.734 218 2HG2 THR 29 2HG2 THR 29 5.871 0.026 -20.056 219 3HG2 THR 29 3HG2 THR 29 6.493 0.067 -18.407 220 H GLY 30 H GLY 30 2.232 0.503 -18.111 221 1HA GLY 30 2HA GLY 30 1.801 0.920 -21.030 222 2HA GLY 30 1HA GLY 30 0.404 0.864 -19.954 223 H MET 31 H MET 31 1.996 3.046 -21.591 224 HA MET 31 HA MET 31 1.719 5.105 -19.454 225 1HB MET 31 2HB MET 31 4.122 4.647 -19.697 226 2HB MET 31 1HB MET 31 4.005 4.900 -21.439 227 1HG MET 31 2HG MET 31 2.911 7.110 -19.827 228 2HG MET 31 1HG MET 31 4.645 6.861 -19.627 229 1HE MET 31 1HE MET 31 6.418 7.646 -22.447 230 2HE MET 31 2HE MET 31 5.747 6.084 -22.910 231 3HE MET 31 3HE MET 31 6.133 6.402 -21.222 232 H VAL 32 H VAL 32 0.519 6.830 -20.147 233 HA VAL 32 HA VAL 32 0.259 7.255 -23.091 234 HB VAL 32 HB VAL 32 -2.180 7.748 -22.693 235 1HG1 VAL 32 1HG1 VAL 32 -0.984 5.022 -22.230 236 2HG1 VAL 32 2HG1 VAL 32 -1.786 5.646 -23.670 237 3HG1 VAL 32 3HG1 VAL 32 -2.734 5.241 -22.240 238 1HG2 VAL 32 1HG2 VAL 32 -3.192 7.345 -20.635 239 2HG2 VAL 32 2HG2 VAL 32 -1.618 7.947 -20.112 240 3HG2 VAL 32 3HG2 VAL 32 -1.938 6.213 -20.126 241 H GLY 33 H GLY 33 -1.259 9.455 -23.201 242 1HA GLY 33 2HA GLY 33 -0.851 11.436 -21.188 243 2HA GLY 33 1HA GLY 33 0.445 11.567 -22.378 244 H ALA 34 H ALA 34 -0.711 13.750 -22.648 245 HA ALA 34 HA ALA 34 -2.676 13.456 -24.865 246 1HB ALA 34 1HB ALA 34 -3.843 15.527 -23.829 247 2HB ALA 34 2HB ALA 34 -3.021 15.066 -22.340 248 3HB ALA 34 3HB ALA 34 -4.159 13.953 -23.100 249 HA PRO 35 HA PRO 35 0.783 16.052 -26.376 250 1HB PRO 35 2HB PRO 35 -1.119 16.062 -28.685 251 2HB PRO 35 1HB PRO 35 0.635 15.796 -28.670 252 1HG PRO 35 2HG PRO 35 -1.087 13.779 -28.950 253 2HG PRO 35 1HG PRO 35 0.433 13.598 -28.058 254 1HD PRO 35 2HD PRO 35 -2.348 13.745 -27.015 255 2HD PRO 35 1HD PRO 35 -0.917 12.965 -26.307 256 H ALA 36 H ALA 36 -2.538 16.905 -27.438 257 HA ALA 36 HA ALA 36 -2.304 19.630 -27.725 258 1HB ALA 36 1HB ALA 36 -4.442 18.532 -28.064 259 2HB ALA 36 2HB ALA 36 -4.662 19.809 -26.867 260 3HB ALA 36 3HB ALA 36 -4.551 18.125 -26.351 261 H CYS 37 H CYS 37 -1.914 17.842 -24.792 262 HA CYS 37 HA CYS 37 -1.756 20.419 -23.276 263 1HB CYS 37 2HB CYS 37 -2.158 17.738 -21.963 264 2HB CYS 37 1HB CYS 37 -2.561 19.342 -21.348 265 HG CYS 37 HG CYS 37 -4.741 18.075 -22.261 266 H GLY 38 H GLY 38 -0.247 17.311 -23.974 267 1HA GLY 38 2HA GLY 38 2.067 16.806 -23.896 268 2HA GLY 38 1HA GLY 38 2.359 18.400 -23.198 269 H ASP 39 H ASP 39 -0.059 16.305 -21.803 270 HA ASP 39 HA ASP 39 1.533 16.216 -19.313 271 1HB ASP 39 2HB ASP 39 -1.189 14.980 -19.611 272 2HB ASP 39 1HB ASP 39 -0.468 15.758 -18.201 273 H VAL 40 H VAL 40 2.554 14.388 -18.607 274 HA VAL 40 HA VAL 40 2.180 11.916 -20.240 275 HB VAL 40 HB VAL 40 4.493 12.857 -18.522 276 1HG1 VAL 40 1HG1 VAL 40 5.328 10.644 -19.966 277 2HG1 VAL 40 2HG1 VAL 40 3.709 10.186 -19.439 278 3HG1 VAL 40 3HG1 VAL 40 4.926 10.652 -18.249 279 1HG2 VAL 40 1HG2 VAL 40 3.876 13.557 -21.078 280 2HG2 VAL 40 2HG2 VAL 40 4.816 12.095 -21.370 281 3HG2 VAL 40 3HG2 VAL 40 5.530 13.439 -20.478 282 H MET 41 H MET 41 0.888 10.443 -19.250 283 HA MET 41 HA MET 41 0.977 10.296 -16.262 284 1HB MET 41 2HB MET 41 -1.245 10.857 -16.846 285 2HB MET 41 1HB MET 41 -1.239 9.786 -18.247 286 1HG MET 41 2HG MET 41 -1.279 7.828 -16.854 287 2HG MET 41 1HG MET 41 -0.982 8.784 -15.401 288 1HE MET 41 1HE MET 41 -3.455 6.729 -15.441 289 2HE MET 41 2HE MET 41 -4.474 7.803 -14.486 290 3HE MET 41 3HE MET 41 -2.740 7.745 -14.182 291 H GLN 42 H GLN 42 2.489 8.692 -15.894 292 HA GLN 42 HA GLN 42 2.541 6.283 -17.580 293 1HB GLN 42 2HB GLN 42 4.647 7.256 -16.707 294 2HB GLN 42 1HB GLN 42 4.094 6.953 -15.060 295 1HG GLN 42 2HG GLN 42 4.041 4.557 -15.460 296 2HG GLN 42 1HG GLN 42 4.430 4.798 -17.164 297 1HE2 GLN 42 1HE2 GLN 42 6.138 7.109 -15.425 298 2HE2 GLN 42 2HE2 GLN 42 7.608 6.279 -15.256 299 H LEU 43 H LEU 43 2.191 4.131 -16.706 300 HA LEU 43 HA LEU 43 0.952 3.863 -14.062 301 1HB LEU 43 2HB LEU 43 -0.846 4.649 -15.789 302 2HB LEU 43 1HB LEU 43 -0.735 2.999 -16.402 303 HG LEU 43 HG LEU 43 -0.884 2.639 -13.657 304 1HD1 LEU 43 1HD1 LEU 43 -2.792 3.999 -12.925 305 2HD1 LEU 43 2HD1 LEU 43 -2.822 4.823 -14.485 306 3HD1 LEU 43 3HD1 LEU 43 -1.451 5.042 -13.397 307 1HD2 LEU 43 1HD2 LEU 43 -3.211 2.711 -15.604 308 2HD2 LEU 43 2HD2 LEU 43 -3.091 1.740 -14.135 309 3HD2 LEU 43 3HD2 LEU 43 -2.043 1.393 -15.510 310 H GLN 44 H GLN 44 2.089 2.097 -13.397 311 HA GLN 44 HA GLN 44 2.378 -0.170 -15.329 312 1HB GLN 44 2HB GLN 44 4.522 0.898 -14.582 313 2HB GLN 44 1HB GLN 44 4.119 0.448 -12.924 314 1HG GLN 44 2HG GLN 44 4.162 -1.898 -13.466 315 2HG GLN 44 1HG GLN 44 4.293 -1.553 -15.191 316 1HE2 GLN 44 1HE2 GLN 44 6.138 0.732 -13.533 317 2HE2 GLN 44 2HE2 GLN 44 7.651 -0.029 -13.644 318 H ILE 45 H ILE 45 1.199 -1.938 -14.802 319 HA ILE 45 HA ILE 45 0.184 -2.164 -12.008 320 HB ILE 45 HB ILE 45 -1.306 -3.965 -13.214 321 1HG1 ILE 45 2HG1 ILE 45 -1.095 -2.263 -15.615 322 2HG1 ILE 45 1HG1 ILE 45 0.311 -3.290 -15.331 323 1HG2 ILE 45 1HG2 ILE 45 -2.739 -1.946 -14.101 324 2HG2 ILE 45 2HG2 ILE 45 -1.488 -0.967 -13.337 325 3HG2 ILE 45 3HG2 ILE 45 -2.435 -2.098 -12.371 326 1HD1 ILE 45 1HD1 ILE 45 -2.410 -4.505 -15.054 327 2HD1 ILE 45 2HD1 ILE 45 -0.898 -5.249 -15.573 328 3HD1 ILE 45 3HD1 ILE 45 -1.790 -4.202 -16.676 329 H LYS 46 H LYS 46 0.312 -4.244 -10.943 330 HA LYS 46 HA LYS 46 2.347 -6.085 -12.136 331 1HB LYS 46 2HB LYS 46 2.041 -5.404 -9.197 332 2HB LYS 46 1HB LYS 46 3.271 -6.447 -9.911 333 1HG LYS 46 2HG LYS 46 3.722 -4.271 -11.392 334 2HG LYS 46 1HG LYS 46 3.039 -3.471 -9.975 335 1HD LYS 46 2HD LYS 46 4.673 -4.848 -8.577 336 2HD LYS 46 1HD LYS 46 5.465 -5.273 -10.095 337 1HE LYS 46 2HE LYS 46 5.306 -2.600 -10.421 338 2HE LYS 46 1HE LYS 46 5.389 -2.667 -8.661 339 1HZ LYS 46 1HZ LYS 46 7.562 -2.941 -8.886 340 2HZ LYS 46 2HZ LYS 46 7.440 -3.115 -10.571 341 3HZ LYS 46 3HZ LYS 46 7.263 -4.468 -9.561 342 H VAL 47 H VAL 47 1.769 -8.223 -12.133 343 HA VAL 47 HA VAL 47 -0.592 -9.015 -10.478 344 HB VAL 47 HB VAL 47 -0.057 -10.158 -13.219 345 1HG1 VAL 47 1HG1 VAL 47 -2.604 -9.854 -11.602 346 2HG1 VAL 47 2HG1 VAL 47 -1.598 -11.302 -11.594 347 3HG1 VAL 47 3HG1 VAL 47 -2.394 -10.791 -13.081 348 1HG2 VAL 47 1HG2 VAL 47 -1.752 -7.738 -12.521 349 2HG2 VAL 47 2HG2 VAL 47 -1.735 -8.545 -14.089 350 3HG2 VAL 47 3HG2 VAL 47 -0.287 -7.726 -13.502 351 H ASP 48 H ASP 48 -0.503 -11.171 -9.667 352 HA ASP 48 HA ASP 48 2.181 -12.215 -9.308 353 1HB ASP 48 2HB ASP 48 -0.506 -12.774 -8.264 354 2HB ASP 48 1HB ASP 48 0.483 -14.221 -8.463 355 H ASP 49 H ASP 49 -0.343 -14.522 -10.018 356 HA ASP 49 HA ASP 49 0.644 -15.043 -12.734 357 1HB ASP 49 2HB ASP 49 0.964 -17.565 -11.795 358 2HB ASP 49 1HB ASP 49 2.293 -16.414 -11.927 359 H ASN 50 H ASN 50 -1.894 -14.546 -11.063 360 HA ASN 50 HA ASN 50 -3.448 -16.785 -12.285 361 1HB ASN 50 2HB ASN 50 -4.776 -15.810 -9.926 362 2HB ASN 50 1HB ASN 50 -4.212 -17.445 -10.273 363 1HD2 ASN 50 1HD2 ASN 50 -2.901 -14.254 -9.211 364 2HD2 ASN 50 2HD2 ASN 50 -1.724 -14.917 -8.183 365 H GLY 51 H GLY 51 -2.884 -13.528 -12.205 366 1HA GLY 51 2HA GLY 51 -4.139 -12.015 -13.636 367 2HA GLY 51 1HA GLY 51 -5.585 -12.979 -13.330 368 H ILE 52 H ILE 52 -3.683 -12.410 -10.552 369 HA ILE 52 HA ILE 52 -5.686 -10.400 -9.630 370 HB ILE 52 HB ILE 52 -3.944 -12.396 -8.181 371 1HG1 ILE 52 2HG1 ILE 52 -6.369 -12.785 -9.143 372 2HG1 ILE 52 1HG1 ILE 52 -5.965 -13.367 -7.528 373 1HG2 ILE 52 1HG2 ILE 52 -5.175 -11.251 -6.131 374 2HG2 ILE 52 2HG2 ILE 52 -5.169 -9.845 -7.195 375 3HG2 ILE 52 3HG2 ILE 52 -3.647 -10.608 -6.731 376 1HD1 ILE 52 1HD1 ILE 52 -7.016 -10.577 -7.824 377 2HD1 ILE 52 2HD1 ILE 52 -7.179 -11.696 -6.470 378 3HD1 ILE 52 3HD1 ILE 52 -8.150 -11.923 -7.925 379 H ILE 53 H ILE 53 -4.980 -8.325 -9.492 380 HA ILE 53 HA ILE 53 -2.225 -7.611 -9.943 381 HB ILE 53 HB ILE 53 -4.584 -6.008 -8.913 382 1HG1 ILE 53 2HG1 ILE 53 -3.247 -5.586 -11.554 383 2HG1 ILE 53 1HG1 ILE 53 -4.273 -7.010 -11.375 384 1HG2 ILE 53 1HG2 ILE 53 -3.022 -4.070 -9.688 385 2HG2 ILE 53 2HG2 ILE 53 -1.724 -5.248 -9.485 386 3HG2 ILE 53 3HG2 ILE 53 -2.732 -4.799 -8.108 387 1HD1 ILE 53 1HD1 ILE 53 -6.197 -5.757 -11.061 388 2HD1 ILE 53 2HD1 ILE 53 -5.303 -4.687 -12.142 389 3HD1 ILE 53 3HD1 ILE 53 -5.316 -4.377 -10.405 390 H GLU 54 H GLU 54 -0.674 -8.038 -8.444 391 HA GLU 54 HA GLU 54 -1.371 -8.103 -5.580 392 1HB GLU 54 2HB GLU 54 0.199 -9.759 -6.786 393 2HB GLU 54 1HB GLU 54 1.390 -8.458 -6.747 394 1HG GLU 54 2HG GLU 54 -0.065 -9.252 -4.234 395 2HG GLU 54 1HG GLU 54 1.343 -10.167 -4.775 396 H ASP 55 H ASP 55 -0.356 -5.764 -7.788 397 HA ASP 55 HA ASP 55 0.031 -3.791 -5.722 398 1HB ASP 55 2HB ASP 55 2.196 -4.700 -5.364 399 2HB ASP 55 1HB ASP 55 2.472 -4.928 -7.091 400 H ALA 56 H ALA 56 0.677 -1.649 -6.719 401 HA ALA 56 HA ALA 56 0.399 -1.510 -9.658 402 1HB ALA 56 1HB ALA 56 -1.931 -1.457 -8.735 403 2HB ALA 56 2HB ALA 56 -1.487 0.028 -9.578 404 3HB ALA 56 3HB ALA 56 -1.491 -0.018 -7.815 405 H LYS 57 H LYS 57 1.465 0.281 -10.488 406 HA LYS 57 HA LYS 57 2.398 2.343 -8.540 407 1HB LYS 57 2HB LYS 57 4.022 0.604 -10.359 408 2HB LYS 57 1HB LYS 57 4.548 2.270 -10.107 409 1HG LYS 57 2HG LYS 57 3.763 0.826 -7.649 410 2HG LYS 57 1HG LYS 57 5.208 0.204 -8.450 411 1HD LYS 57 2HD LYS 57 4.954 3.165 -8.120 412 2HD LYS 57 1HD LYS 57 5.361 2.205 -6.697 413 1HE LYS 57 2HE LYS 57 6.838 1.844 -9.303 414 2HE LYS 57 1HE LYS 57 7.321 3.077 -8.138 415 1HZ LYS 57 1HZ LYS 57 7.736 0.262 -8.059 416 2HZ LYS 57 2HZ LYS 57 6.946 0.803 -6.656 417 3HZ LYS 57 3HZ LYS 57 8.437 1.479 -7.109 418 H PHE 58 H PHE 58 3.182 4.348 -9.731 419 HA PHE 58 HA PHE 58 2.483 4.724 -12.509 420 1HB PHE 58 2HB PHE 58 0.505 6.074 -12.284 421 2HB PHE 58 1HB PHE 58 0.205 4.578 -11.399 422 HD1 PHE 58 HD1 PHE 58 0.964 4.619 -8.853 423 HD2 PHE 58 HD2 PHE 58 0.087 8.102 -11.209 424 HE1 PHE 58 HE1 PHE 58 0.567 5.921 -6.779 425 HE2 PHE 58 HE2 PHE 58 -0.310 9.405 -9.136 426 HZ PHE 58 HZ PHE 58 -0.071 8.314 -6.921 427 H LYS 59 H LYS 59 2.154 7.356 -12.746 428 HA LYS 59 HA LYS 59 3.615 8.986 -10.876 429 1HB LYS 59 2HB LYS 59 5.195 7.435 -12.707 430 2HB LYS 59 1HB LYS 59 5.332 9.137 -13.145 431 1HG LYS 59 2HG LYS 59 5.731 9.581 -10.645 432 2HG LYS 59 1HG LYS 59 5.964 7.840 -10.490 433 1HD LYS 59 2HD LYS 59 7.751 7.922 -12.189 434 2HD LYS 59 1HD LYS 59 7.520 9.663 -12.349 435 1HE LYS 59 2HE LYS 59 9.129 9.811 -10.752 436 2HE LYS 59 1HE LYS 59 7.827 9.400 -9.637 437 1HZ LYS 59 1HZ LYS 59 8.689 7.010 -10.701 438 2HZ LYS 59 2HZ LYS 59 8.972 7.591 -9.129 439 3HZ LYS 59 3HZ LYS 59 10.106 7.877 -10.362 440 H THR 60 H THR 60 2.372 10.776 -11.189 441 HA THR 60 HA THR 60 1.314 11.418 -13.853 442 HB THR 60 HB THR 60 0.217 13.309 -12.672 443 HG1 THR 60 HG1 THR 60 0.534 13.041 -10.254 444 1HG2 THR 60 1HG2 THR 60 -1.003 11.253 -12.668 445 2HG2 THR 60 2HG2 THR 60 -1.071 11.863 -11.015 446 3HG2 THR 60 3HG2 THR 60 0.041 10.559 -11.427 447 H TYR 61 H TYR 61 1.828 13.329 -15.023 448 HA TYR 61 HA TYR 61 3.898 15.148 -14.046 449 1HB TYR 61 2HB TYR 61 4.783 12.841 -15.326 450 2HB TYR 61 1HB TYR 61 4.774 14.049 -16.611 451 HD1 TYR 61 HD1 TYR 61 7.086 12.619 -14.805 452 HD2 TYR 61 HD2 TYR 61 5.307 16.522 -15.038 453 HE1 TYR 61 HE1 TYR 61 9.159 13.620 -13.881 454 HE2 TYR 61 HE2 TYR 61 7.379 17.522 -14.115 455 HH TYR 61 HH TYR 61 10.213 15.497 -13.347 456 H GLY 62 H GLY 62 3.076 17.062 -14.715 457 1HA GLY 62 2HA GLY 62 2.875 18.138 -17.176 458 2HA GLY 62 1HA GLY 62 1.398 17.173 -17.141 459 H CYS 63 H CYS 63 -0.250 17.729 -15.596 460 HA CYS 63 HA CYS 63 -0.026 20.553 -14.651 461 1HB CYS 63 2HB CYS 63 -1.986 19.338 -16.182 462 2HB CYS 63 1HB CYS 63 -2.685 19.312 -14.563 463 HG CYS 63 HG CYS 63 -1.811 22.021 -14.684 464 H GLY 64 H GLY 64 -0.363 21.019 -12.480 465 1HA GLY 64 2HA GLY 64 -0.341 18.697 -10.648 466 2HA GLY 64 1HA GLY 64 -0.016 20.372 -10.197 467 H SER 65 H SER 65 -2.768 18.682 -11.753 468 HA SER 65 HA SER 65 -4.510 19.639 -9.549 469 1HB SER 65 2HB SER 65 -5.489 19.975 -12.363 470 2HB SER 65 1HB SER 65 -5.975 20.833 -10.904 471 HG SER 65 HG SER 65 -3.368 21.227 -11.340 472 H ALA 66 H ALA 66 -3.997 17.575 -12.357 473 HA ALA 66 HA ALA 66 -6.421 16.004 -11.830 474 1HB ALA 66 1HB ALA 66 -5.083 16.438 -14.106 475 2HB ALA 66 2HB ALA 66 -5.981 14.945 -13.835 476 3HB ALA 66 3HB ALA 66 -4.235 14.981 -13.591 477 H ILE 67 H ILE 67 -3.536 16.227 -10.272 478 HA ILE 67 HA ILE 67 -2.645 13.545 -9.973 479 HB ILE 67 HB ILE 67 -2.637 15.518 -7.695 480 1HG1 ILE 67 2HG1 ILE 67 -2.026 16.885 -9.571 481 2HG1 ILE 67 1HG1 ILE 67 -0.516 16.417 -8.787 482 1HG2 ILE 67 1HG2 ILE 67 -1.675 13.218 -7.435 483 2HG2 ILE 67 2HG2 ILE 67 -0.478 14.498 -7.234 484 3HG2 ILE 67 3HG2 ILE 67 -0.549 13.585 -8.741 485 1HD1 ILE 67 1HD1 ILE 67 -0.529 14.416 -10.442 486 2HD1 ILE 67 2HD1 ILE 67 -0.091 16.005 -11.068 487 3HD1 ILE 67 3HD1 ILE 67 -1.710 15.363 -11.346 488 H ALA 68 H ALA 68 -5.682 14.579 -9.437 489 HA ALA 68 HA ALA 68 -6.126 13.071 -6.924 490 1HB ALA 68 1HB ALA 68 -8.478 13.888 -7.174 491 2HB ALA 68 2HB ALA 68 -8.004 14.694 -8.669 492 3HB ALA 68 3HB ALA 68 -7.298 15.199 -7.133 493 H SER 69 H SER 69 -6.950 12.946 -10.374 494 HA SER 69 HA SER 69 -8.630 10.604 -10.146 495 1HB SER 69 2HB SER 69 -8.142 12.408 -12.135 496 2HB SER 69 1HB SER 69 -7.195 11.033 -12.697 497 HG SER 69 HG SER 69 -9.914 10.942 -11.872 498 H SER 70 H SER 70 -5.266 11.036 -11.302 499 HA SER 70 HA SER 70 -4.651 8.327 -11.733 500 1HB SER 70 2HB SER 70 -2.359 9.543 -10.562 501 2HB SER 70 1HB SER 70 -2.695 9.294 -12.273 502 HG SER 70 HG SER 70 -2.763 11.566 -10.804 503 H SER 71 H SER 71 -4.793 10.146 -8.710 504 HA SER 71 HA SER 71 -3.578 8.078 -7.089 505 1HB SER 71 2HB SER 71 -5.239 10.521 -6.502 506 2HB SER 71 1HB SER 71 -4.838 9.382 -5.221 507 HG SER 71 HG SER 71 -3.355 11.301 -5.941 508 H LEU 72 H LEU 72 -6.891 8.854 -8.057 509 HA LEU 72 HA LEU 72 -8.166 6.968 -6.285 510 1HB LEU 72 2HB LEU 72 -9.450 8.778 -7.295 511 2HB LEU 72 1HB LEU 72 -9.081 8.180 -8.912 512 HG LEU 72 HG LEU 72 -10.254 6.048 -8.345 513 1HD1 LEU 72 1HD1 LEU 72 -10.518 5.638 -6.137 514 2HD1 LEU 72 2HD1 LEU 72 -11.863 6.775 -6.197 515 3HD1 LEU 72 3HD1 LEU 72 -10.261 7.332 -5.718 516 1HD2 LEU 72 1HD2 LEU 72 -12.532 7.587 -7.823 517 2HD2 LEU 72 2HD2 LEU 72 -11.899 7.173 -9.416 518 3HD2 LEU 72 3HD2 LEU 72 -11.441 8.695 -8.655 519 H ILE 73 H ILE 73 -7.839 6.774 -9.847 520 HA ILE 73 HA ILE 73 -8.493 4.100 -10.197 521 HB ILE 73 HB ILE 73 -8.067 5.317 -12.171 522 1HG1 ILE 73 2HG1 ILE 73 -5.478 3.789 -12.026 523 2HG1 ILE 73 1HG1 ILE 73 -7.011 2.918 -11.961 524 1HG2 ILE 73 1HG2 ILE 73 -5.366 5.983 -12.254 525 2HG2 ILE 73 2HG2 ILE 73 -5.829 6.341 -10.590 526 3HG2 ILE 73 3HG2 ILE 73 -6.693 7.099 -11.928 527 1HD1 ILE 73 1HD1 ILE 73 -7.501 3.353 -14.145 528 2HD1 ILE 73 2HD1 ILE 73 -5.759 3.592 -14.283 529 3HD1 ILE 73 3HD1 ILE 73 -6.824 4.980 -14.074 530 H THR 74 H THR 74 -5.359 5.415 -9.156 531 HA THR 74 HA THR 74 -3.923 2.947 -9.197 532 HB THR 74 HB THR 74 -2.473 4.115 -7.444 533 HG1 THR 74 HG1 THR 74 -3.002 6.201 -6.964 534 1HG2 THR 74 1HG2 THR 74 -1.633 4.415 -9.573 535 2HG2 THR 74 2HG2 THR 74 -2.037 6.086 -9.179 536 3HG2 THR 74 3HG2 THR 74 -3.129 5.125 -10.177 537 H GLU 75 H GLU 75 -5.905 4.478 -6.669 538 HA GLU 75 HA GLU 75 -5.368 2.256 -4.815 539 1HB GLU 75 2HB GLU 75 -6.725 4.895 -4.684 540 2HB GLU 75 1HB GLU 75 -7.372 3.642 -3.626 541 1HG GLU 75 2HG GLU 75 -5.685 4.706 -2.338 542 2HG GLU 75 1HG GLU 75 -4.932 3.221 -2.915 543 H TRP 76 H TRP 76 -7.280 2.532 -7.479 544 HA TRP 76 HA TRP 76 -9.522 0.980 -6.267 545 1HB TRP 76 2HB TRP 76 -9.514 3.087 -8.118 546 2HB TRP 76 1HB TRP 76 -9.859 1.648 -9.078 547 HD1 TRP 76 HD1 TRP 76 -10.948 2.556 -5.478 548 HE1 TRP 76 HE1 TRP 76 -13.513 2.342 -5.339 549 HE3 TRP 76 HE3 TRP 76 -11.997 1.364 -10.331 550 HZ2 TRP 76 HZ2 TRP 76 -15.720 1.743 -7.061 551 HZ3 TRP 76 HZ3 TRP 76 -14.336 0.978 -11.054 552 HH2 TRP 76 HH2 TRP 76 -16.196 1.167 -9.427 553 H VAL 77 H VAL 77 -6.738 0.673 -8.270 554 HA VAL 77 HA VAL 77 -7.707 -2.005 -9.189 555 HB VAL 77 HB VAL 77 -5.894 -1.801 -10.927 556 1HG1 VAL 77 1HG1 VAL 77 -8.305 -1.210 -11.334 557 2HG1 VAL 77 2HG1 VAL 77 -7.176 -0.319 -12.356 558 3HG1 VAL 77 3HG1 VAL 77 -7.907 0.467 -10.957 559 1HG2 VAL 77 1HG2 VAL 77 -5.608 1.011 -10.978 560 2HG2 VAL 77 2HG2 VAL 77 -4.354 -0.180 -10.630 561 3HG2 VAL 77 3HG2 VAL 77 -5.291 0.525 -9.313 562 H LYS 78 H LYS 78 -6.874 -2.061 -6.642 563 HA LYS 78 HA LYS 78 -4.112 -3.193 -6.834 564 1HB LYS 78 2HB LYS 78 -4.407 -0.974 -5.515 565 2HB LYS 78 1HB LYS 78 -5.211 -1.974 -4.304 566 1HG LYS 78 2HG LYS 78 -3.177 -3.471 -4.313 567 2HG LYS 78 1HG LYS 78 -2.378 -2.275 -5.336 568 1HD LYS 78 2HD LYS 78 -3.293 -0.658 -3.366 569 2HD LYS 78 1HD LYS 78 -3.051 -2.146 -2.448 570 1HE LYS 78 2HE LYS 78 -0.984 -0.751 -4.174 571 2HE LYS 78 1HE LYS 78 -0.995 -0.823 -2.411 572 1HZ LYS 78 1HZ LYS 78 0.468 -2.499 -3.149 573 2HZ LYS 78 2HZ LYS 78 -0.629 -3.061 -4.318 574 3HZ LYS 78 3HZ LYS 78 -0.946 -3.301 -2.666 575 H GLY 79 H GLY 79 -4.559 -5.369 -6.851 576 1HA GLY 79 2HA GLY 79 -4.913 -7.359 -5.505 577 2HA GLY 79 1HA GLY 79 -6.038 -6.441 -4.502 578 H LYS 80 H LYS 80 -7.250 -5.284 -7.038 579 HA LYS 80 HA LYS 80 -9.387 -7.178 -7.309 580 1HB LYS 80 2HB LYS 80 -8.670 -4.973 -9.261 581 2HB LYS 80 1HB LYS 80 -10.258 -5.696 -9.000 582 1HG LYS 80 2HG LYS 80 -8.805 -4.387 -6.714 583 2HG LYS 80 1HG LYS 80 -9.716 -3.405 -7.862 584 1HD LYS 80 2HD LYS 80 -11.744 -4.692 -7.409 585 2HD LYS 80 1HD LYS 80 -10.850 -5.762 -6.329 586 1HE LYS 80 2HE LYS 80 -11.389 -4.347 -4.656 587 2HE LYS 80 1HE LYS 80 -10.269 -3.197 -5.387 588 1HZ LYS 80 1HZ LYS 80 -11.951 -2.066 -6.416 589 2HZ LYS 80 2HZ LYS 80 -12.747 -2.560 -4.998 590 3HZ LYS 80 3HZ LYS 80 -12.995 -3.402 -6.453 591 H SER 81 H SER 81 -9.992 -7.774 -9.782 592 HA SER 81 HA SER 81 -7.653 -9.339 -10.753 593 1HB SER 81 2HB SER 81 -10.263 -10.101 -10.267 594 2HB SER 81 1HB SER 81 -10.257 -9.856 -12.012 595 HG SER 81 HG SER 81 -8.471 -11.251 -12.132 596 H LEU 82 H LEU 82 -7.329 -9.472 -13.113 597 HA LEU 82 HA LEU 82 -7.196 -6.942 -14.375 598 1HB LEU 82 2HB LEU 82 -6.946 -9.777 -15.282 599 2HB LEU 82 1HB LEU 82 -7.164 -8.543 -16.524 600 HG LEU 82 HG LEU 82 -5.157 -8.037 -14.362 601 1HD1 LEU 82 1HD1 LEU 82 -4.815 -9.945 -16.688 602 2HD1 LEU 82 2HD1 LEU 82 -4.534 -10.271 -14.977 603 3HD1 LEU 82 3HD1 LEU 82 -3.454 -9.192 -15.859 604 1HD2 LEU 82 1HD2 LEU 82 -5.345 -7.431 -17.331 605 2HD2 LEU 82 2HD2 LEU 82 -4.008 -6.935 -16.292 606 3HD2 LEU 82 3HD2 LEU 82 -5.627 -6.296 -16.011 607 H GLU 83 H GLU 83 -9.834 -9.175 -14.077 608 HA GLU 83 HA GLU 83 -11.372 -8.279 -16.344 609 1HB GLU 83 2HB GLU 83 -11.726 -10.387 -14.880 610 2HB GLU 83 1HB GLU 83 -12.575 -9.306 -13.774 611 1HG GLU 83 2HG GLU 83 -13.817 -8.546 -15.987 612 2HG GLU 83 1HG GLU 83 -13.321 -10.142 -16.553 613 H GLU 84 H GLU 84 -11.379 -7.362 -12.893 614 HA GLU 84 HA GLU 84 -13.445 -5.406 -13.084 615 1HB GLU 84 2HB GLU 84 -12.344 -6.362 -10.964 616 2HB GLU 84 1HB GLU 84 -11.061 -5.182 -11.238 617 1HG GLU 84 2HG GLU 84 -12.532 -4.025 -9.818 618 2HG GLU 84 1HG GLU 84 -13.009 -3.458 -11.419 619 H ALA 85 H ALA 85 -9.900 -5.106 -13.411 620 HA ALA 85 HA ALA 85 -9.810 -2.301 -13.830 621 1HB ALA 85 1HB ALA 85 -7.738 -2.970 -15.292 622 2HB ALA 85 2HB ALA 85 -8.066 -4.595 -14.692 623 3HB ALA 85 3HB ALA 85 -7.706 -3.293 -13.559 624 H GLY 86 H GLY 86 -10.503 -4.963 -16.055 625 1HA GLY 86 2HA GLY 86 -10.665 -3.162 -18.369 626 2HA GLY 86 1HA GLY 86 -11.036 -4.887 -18.370 627 H ALA 87 H ALA 87 -12.343 -2.181 -16.439 628 HA ALA 87 HA ALA 87 -14.922 -2.277 -17.779 629 1HB ALA 87 1HB ALA 87 -14.478 -3.753 -15.207 630 2HB ALA 87 2HB ALA 87 -15.507 -4.178 -16.575 631 3HB ALA 87 3HB ALA 87 -16.013 -2.920 -15.447 632 H ILE 88 H ILE 88 -12.946 -1.273 -15.041 633 HA ILE 88 HA ILE 88 -14.352 0.605 -13.685 634 HB ILE 88 HB ILE 88 -12.290 2.097 -13.798 635 1HG1 ILE 88 2HG1 ILE 88 -11.541 -0.062 -15.775 636 2HG1 ILE 88 1HG1 ILE 88 -11.452 1.687 -15.984 637 1HG2 ILE 88 1HG2 ILE 88 -12.733 -0.128 -12.379 638 2HG2 ILE 88 2HG2 ILE 88 -11.191 0.725 -12.304 639 3HG2 ILE 88 3HG2 ILE 88 -11.360 -0.700 -13.328 640 1HD1 ILE 88 1HD1 ILE 88 -9.619 -0.136 -14.475 641 2HD1 ILE 88 2HD1 ILE 88 -9.818 1.520 -13.903 642 3HD1 ILE 88 3HD1 ILE 88 -9.227 1.217 -15.537 643 H LYS 89 H LYS 89 -13.131 1.083 -17.001 644 HA LYS 89 HA LYS 89 -13.780 2.624 -18.647 645 1HB LYS 89 2HB LYS 89 -16.255 2.218 -17.002 646 2HB LYS 89 1HB LYS 89 -16.246 3.487 -18.227 647 1HG LYS 89 2HG LYS 89 -15.731 1.910 -19.971 648 2HG LYS 89 1HG LYS 89 -15.437 0.626 -18.798 649 1HD LYS 89 2HD LYS 89 -17.876 0.995 -18.049 650 2HD LYS 89 1HD LYS 89 -18.067 1.903 -19.549 651 1HE LYS 89 2HE LYS 89 -17.031 -0.177 -20.697 652 2HE LYS 89 1HE LYS 89 -17.413 -1.018 -19.195 653 1HZ LYS 89 1HZ LYS 89 -19.288 -1.318 -20.505 654 2HZ LYS 89 2HZ LYS 89 -19.258 0.271 -21.106 655 3HZ LYS 89 3HZ LYS 89 -19.725 -0.024 -19.500 656 H ASN 90 H ASN 90 -13.686 4.871 -18.989 657 HA ASN 90 HA ASN 90 -12.803 6.461 -16.732 658 1HB ASN 90 2HB ASN 90 -13.149 8.327 -18.615 659 2HB ASN 90 1HB ASN 90 -11.783 7.211 -18.665 660 1HD2 ASN 90 1HD2 ASN 90 -14.778 8.111 -20.247 661 2HD2 ASN 90 2HD2 ASN 90 -14.671 6.987 -21.516 662 H SER 91 H SER 91 -15.845 6.017 -18.417 663 HA SER 91 HA SER 91 -17.225 8.352 -17.642 664 1HB SER 91 2HB SER 91 -19.280 6.978 -17.802 665 2HB SER 91 1HB SER 91 -18.195 6.673 -19.155 666 HG SER 91 HG SER 91 -19.180 4.913 -17.514 667 H GLN 92 H GLN 92 -16.621 5.364 -15.816 668 HA GLN 92 HA GLN 92 -18.195 6.174 -13.525 669 1HB GLN 92 2HB GLN 92 -16.933 3.833 -14.335 670 2HB GLN 92 1HB GLN 92 -15.979 4.351 -12.944 671 1HG GLN 92 2HG GLN 92 -17.738 3.016 -12.042 672 2HG GLN 92 1HG GLN 92 -18.207 4.687 -11.726 673 1HE2 GLN 92 1HE2 GLN 92 -18.664 2.115 -14.216 674 2HE2 GLN 92 2HE2 GLN 92 -20.242 2.587 -14.623 675 H ILE 93 H ILE 93 -14.656 6.040 -14.081 676 HA ILE 93 HA ILE 93 -13.822 7.219 -11.677 677 HB ILE 93 HB ILE 93 -12.582 7.851 -14.364 678 1HG1 ILE 93 2HG1 ILE 93 -12.229 5.368 -12.653 679 2HG1 ILE 93 1HG1 ILE 93 -13.076 5.423 -14.198 680 1HG2 ILE 93 1HG2 ILE 93 -10.866 7.168 -12.101 681 2HG2 ILE 93 2HG2 ILE 93 -11.899 8.555 -11.757 682 3HG2 ILE 93 3HG2 ILE 93 -10.819 8.583 -13.152 683 1HD1 ILE 93 1HD1 ILE 93 -10.401 6.612 -14.325 684 2HD1 ILE 93 2HD1 ILE 93 -11.144 5.407 -15.377 685 3HD1 ILE 93 3HD1 ILE 93 -10.375 4.908 -13.870 686 H ALA 94 H ALA 94 -14.964 8.805 -14.648 687 HA ALA 94 HA ALA 94 -14.465 11.490 -13.779 688 1HB ALA 94 1HB ALA 94 -16.277 12.053 -15.486 689 2HB ALA 94 2HB ALA 94 -16.432 10.317 -15.758 690 3HB ALA 94 3HB ALA 94 -14.907 11.131 -16.107 691 H GLU 95 H GLU 95 -17.572 9.692 -13.871 692 HA GLU 95 HA GLU 95 -19.132 11.542 -12.458 693 1HB GLU 95 2HB GLU 95 -20.020 9.457 -13.483 694 2HB GLU 95 1HB GLU 95 -19.255 8.521 -12.198 695 1HG GLU 95 2HG GLU 95 -20.574 10.129 -10.603 696 2HG GLU 95 1HG GLU 95 -21.579 10.418 -12.024 697 H GLU 96 H GLU 96 -17.274 8.813 -11.064 698 HA GLU 96 HA GLU 96 -17.762 9.246 -8.357 699 1HB GLU 96 2HB GLU 96 -15.458 8.179 -9.910 700 2HB GLU 96 1HB GLU 96 -15.139 8.619 -8.232 701 1HG GLU 96 2HG GLU 96 -17.399 6.809 -9.132 702 2HG GLU 96 1HG GLU 96 -15.861 6.241 -8.480 703 H LEU 97 H LEU 97 -15.203 10.807 -10.311 704 HA LEU 97 HA LEU 97 -14.373 12.564 -8.172 705 1HB LEU 97 2HB LEU 97 -13.708 12.130 -10.994 706 2HB LEU 97 1HB LEU 97 -13.649 13.831 -10.529 707 HG LEU 97 HG LEU 97 -12.224 13.194 -8.572 708 1HD1 LEU 97 1HD1 LEU 97 -13.155 10.684 -8.950 709 2HD1 LEU 97 2HD1 LEU 97 -11.635 11.025 -8.121 710 3HD1 LEU 97 3HD1 LEU 97 -11.627 10.565 -9.824 711 1HD2 LEU 97 1HD2 LEU 97 -11.499 12.982 -11.417 712 2HD2 LEU 97 2HD2 LEU 97 -10.357 12.185 -10.334 713 3HD2 LEU 97 3HD2 LEU 97 -10.721 13.898 -10.125 714 H GLU 98 H GLU 98 -16.586 12.904 -10.930 715 HA GLU 98 HA GLU 98 -18.457 14.352 -11.085 716 1HB GLU 98 2HB GLU 98 -18.139 14.347 -8.438 717 2HB GLU 98 1HB GLU 98 -17.546 15.979 -8.746 718 1HG GLU 98 2HG GLU 98 -19.868 16.274 -8.410 719 2HG GLU 98 1HG GLU 98 -19.688 16.279 -10.165 720 H LEU 99 H LEU 99 -15.781 14.742 -12.243 721 HA LEU 99 HA LEU 99 -15.291 17.634 -12.141 722 1HB LEU 99 2HB LEU 99 -13.541 17.149 -13.822 723 2HB LEU 99 1HB LEU 99 -13.406 16.068 -12.434 724 HG LEU 99 HG LEU 99 -15.172 14.752 -14.148 725 1HD1 LEU 99 1HD1 LEU 99 -12.943 16.114 -15.676 726 2HD1 LEU 99 2HD1 LEU 99 -14.671 16.159 -16.023 727 3HD1 LEU 99 3HD1 LEU 99 -13.761 14.668 -16.267 728 1HD2 LEU 99 1HD2 LEU 99 -12.184 14.453 -13.718 729 2HD2 LEU 99 2HD2 LEU 99 -13.189 13.240 -14.510 730 3HD2 LEU 99 3HD2 LEU 99 -13.469 13.649 -12.817 731 HA PRO 100 HA PRO 100 -18.104 18.722 -15.368 732 1HB PRO 100 2HB PRO 100 -16.716 20.861 -16.450 733 2HB PRO 100 1HB PRO 100 -17.714 20.944 -14.987 734 1HG PRO 100 2HG PRO 100 -14.767 20.748 -15.260 735 2HG PRO 100 1HG PRO 100 -15.740 21.611 -14.057 736 1HD PRO 100 2HD PRO 100 -14.491 19.234 -13.530 737 2HD PRO 100 1HD PRO 100 -15.991 19.741 -12.720 738 HA PRO 101 HA PRO 101 -16.626 16.804 -19.072 739 1HB PRO 101 2HB PRO 101 -18.365 17.891 -20.893 740 2HB PRO 101 1HB PRO 101 -18.818 16.619 -19.743 741 1HG PRO 101 2HG PRO 101 -19.329 19.545 -19.627 742 2HG PRO 101 1HG PRO 101 -20.368 18.195 -19.140 743 1HD PRO 101 2HD PRO 101 -18.941 19.708 -17.351 744 2HD PRO 101 1HD PRO 101 -19.380 18.010 -17.059 745 H VAL 102 H VAL 102 -15.613 19.659 -18.280 746 HA VAL 102 HA VAL 102 -15.044 20.809 -20.935 747 HB VAL 102 HB VAL 102 -13.888 22.576 -19.656 748 1HG1 VAL 102 1HG1 VAL 102 -16.591 21.764 -18.543 749 2HG1 VAL 102 2HG1 VAL 102 -16.303 22.783 -19.954 750 3HG1 VAL 102 3HG1 VAL 102 -15.864 23.358 -18.345 751 1HG2 VAL 102 1HG2 VAL 102 -14.350 20.617 -17.416 752 2HG2 VAL 102 2HG2 VAL 102 -14.228 22.342 -17.071 753 3HG2 VAL 102 3HG2 VAL 102 -12.879 21.496 -17.830 754 H LYS 103 H LYS 103 -13.545 18.683 -18.643 755 HA LYS 103 HA LYS 103 -11.127 18.627 -20.385 756 1HB LYS 103 2HB LYS 103 -10.921 19.918 -18.084 757 2HB LYS 103 1HB LYS 103 -10.798 18.286 -17.425 758 1HG LYS 103 2HG LYS 103 -8.888 17.787 -18.793 759 2HG LYS 103 1HG LYS 103 -9.100 19.265 -19.732 760 1HD LYS 103 2HD LYS 103 -8.675 20.600 -17.672 761 2HD LYS 103 1HD LYS 103 -8.371 19.100 -16.793 762 1HE LYS 103 2HE LYS 103 -6.851 19.863 -19.295 763 2HE LYS 103 1HE LYS 103 -6.298 20.288 -17.674 764 1HZ LYS 103 1HZ LYS 103 -5.260 18.270 -18.163 765 2HZ LYS 103 2HZ LYS 103 -6.663 17.596 -18.844 766 3HZ LYS 103 3HZ LYS 103 -6.560 17.835 -17.165 767 H VAL 104 H VAL 104 -13.184 16.798 -20.621 768 HA VAL 104 HA VAL 104 -13.009 14.495 -18.957 769 HB VAL 104 HB VAL 104 -13.556 14.433 -21.934 770 1HG1 VAL 104 1HG1 VAL 104 -13.385 12.324 -20.416 771 2HG1 VAL 104 2HG1 VAL 104 -14.790 12.483 -21.470 772 3HG1 VAL 104 3HG1 VAL 104 -14.927 12.867 -19.754 773 1HG2 VAL 104 1HG2 VAL 104 -15.591 14.993 -19.765 774 2HG2 VAL 104 2HG2 VAL 104 -15.810 15.111 -21.511 775 3HG2 VAL 104 3HG2 VAL 104 -14.798 16.284 -20.667 776 H HIS 105 H HIS 105 -10.699 15.855 -21.001 777 HA HIS 105 HA HIS 105 -9.399 13.622 -22.149 778 1HB HIS 105 2HB HIS 105 -8.727 16.393 -21.524 779 2HB HIS 105 1HB HIS 105 -7.335 15.324 -21.345 780 HD2 HIS 105 HD2 HIS 105 -7.671 13.324 -23.853 781 HE1 HIS 105 HE1 HIS 105 -8.187 16.773 -26.234 782 HE2 HIS 105 HE2 HIS 105 -7.660 14.292 -26.274 783 H CYS 106 H CYS 106 -9.500 14.730 -18.832 784 HA CYS 106 HA CYS 106 -7.210 13.231 -17.907 785 1HB CYS 106 2HB CYS 106 -8.217 15.116 -16.631 786 2HB CYS 106 1HB CYS 106 -9.656 14.135 -16.355 787 HG CYS 106 HG CYS 106 -8.361 13.436 -14.331 788 H SER 107 H SER 107 -10.692 12.610 -17.304 789 HA SER 107 HA SER 107 -10.449 9.998 -16.336 790 1HB SER 107 2HB SER 107 -12.563 11.576 -16.838 791 2HB SER 107 1HB SER 107 -12.687 10.515 -18.240 792 HG SER 107 HG SER 107 -13.811 9.604 -16.527 793 H ILE 108 H ILE 108 -11.330 10.741 -19.733 794 HA ILE 108 HA ILE 108 -11.053 8.249 -20.868 795 HB ILE 108 HB ILE 108 -10.099 10.910 -21.954 796 1HG1 ILE 108 2HG1 ILE 108 -12.534 9.254 -22.666 797 2HG1 ILE 108 1HG1 ILE 108 -12.559 10.513 -21.430 798 1HG2 ILE 108 1HG2 ILE 108 -8.899 9.194 -23.162 799 2HG2 ILE 108 2HG2 ILE 108 -10.226 9.741 -24.187 800 3HG2 ILE 108 3HG2 ILE 108 -10.357 8.214 -23.315 801 1HD1 ILE 108 1HD1 ILE 108 -11.414 11.221 -24.094 802 2HD1 ILE 108 2HD1 ILE 108 -12.330 12.219 -22.965 803 3HD1 ILE 108 3HD1 ILE 108 -13.165 11.045 -23.981 804 H LEU 109 H LEU 109 -8.374 10.477 -20.101 805 HA LEU 109 HA LEU 109 -6.260 8.892 -21.127 806 1HB LEU 109 2HB LEU 109 -6.540 11.156 -19.315 807 2HB LEU 109 1HB LEU 109 -5.250 10.070 -18.797 808 HG LEU 109 HG LEU 109 -4.365 10.118 -21.154 809 1HD1 LEU 109 1HD1 LEU 109 -6.804 11.133 -21.800 810 2HD1 LEU 109 2HD1 LEU 109 -5.369 11.334 -22.805 811 3HD1 LEU 109 3HD1 LEU 109 -5.857 12.618 -21.699 812 1HD2 LEU 109 1HD2 LEU 109 -3.086 11.530 -19.864 813 2HD2 LEU 109 2HD2 LEU 109 -4.483 12.444 -19.296 814 3HD2 LEU 109 3HD2 LEU 109 -3.826 12.748 -20.904 815 H ALA 110 H ALA 110 -7.801 8.859 -17.911 816 HA ALA 110 HA ALA 110 -6.147 6.889 -16.717 817 1HB ALA 110 1HB ALA 110 -8.001 8.298 -15.627 818 2HB ALA 110 2HB ALA 110 -7.871 6.622 -15.098 819 3HB ALA 110 3HB ALA 110 -9.126 7.090 -16.244 820 H GLU 111 H GLU 111 -9.183 6.493 -18.564 821 HA GLU 111 HA GLU 111 -9.288 3.654 -18.431 822 1HB GLU 111 2HB GLU 111 -11.140 5.110 -19.261 823 2HB GLU 111 1HB GLU 111 -10.199 5.428 -20.718 824 1HG GLU 111 2HG GLU 111 -10.301 2.585 -20.242 825 2HG GLU 111 1HG GLU 111 -11.938 3.243 -20.239 826 H ASP 112 H ASP 112 -8.115 5.660 -21.164 827 HA ASP 112 HA ASP 112 -7.005 3.618 -22.719 828 1HB ASP 112 2HB ASP 112 -7.053 6.322 -22.919 829 2HB ASP 112 1HB ASP 112 -5.361 6.080 -22.486 830 H ALA 113 H ALA 113 -5.846 4.944 -19.705 831 HA ALA 113 HA ALA 113 -3.140 3.934 -19.929 832 1HB ALA 113 1HB ALA 113 -4.552 5.560 -18.129 833 2HB ALA 113 2HB ALA 113 -2.858 5.082 -18.009 834 3HB ALA 113 3HB ALA 113 -4.102 4.135 -17.194 835 H ILE 114 H ILE 114 -6.162 2.673 -18.547 836 HA ILE 114 HA ILE 114 -4.939 0.316 -17.406 837 HB ILE 114 HB ILE 114 -7.341 1.445 -17.054 838 1HG1 ILE 114 2HG1 ILE 114 -8.083 -0.967 -16.307 839 2HG1 ILE 114 1HG1 ILE 114 -6.440 -1.412 -16.772 840 1HG2 ILE 114 1HG2 ILE 114 -7.930 0.779 -19.465 841 2HG2 ILE 114 2HG2 ILE 114 -9.100 0.343 -18.219 842 3HG2 ILE 114 3HG2 ILE 114 -8.007 -0.879 -18.869 843 1HD1 ILE 114 1HD1 ILE 114 -5.592 0.442 -15.301 844 2HD1 ILE 114 2HD1 ILE 114 -6.422 -0.839 -14.420 845 3HD1 ILE 114 3HD1 ILE 114 -7.246 0.686 -14.740 846 H LYS 115 H LYS 115 -6.387 1.072 -20.544 847 HA LYS 115 HA LYS 115 -6.244 -1.688 -21.480 848 1HB LYS 115 2HB LYS 115 -7.000 0.954 -22.644 849 2HB LYS 115 1HB LYS 115 -6.499 -0.311 -23.766 850 1HG LYS 115 2HG LYS 115 -8.279 -1.699 -23.217 851 2HG LYS 115 1HG LYS 115 -8.463 -0.997 -21.610 852 1HD LYS 115 2HD LYS 115 -9.849 0.641 -22.351 853 2HD LYS 115 1HD LYS 115 -8.897 0.912 -23.812 854 1HE LYS 115 2HE LYS 115 -9.850 -1.253 -24.717 855 2HE LYS 115 1HE LYS 115 -10.945 -1.269 -23.335 856 1HZ LYS 115 1HZ LYS 115 -10.722 1.040 -25.178 857 2HZ LYS 115 2HZ LYS 115 -11.932 0.736 -24.024 858 3HZ LYS 115 3HZ LYS 115 -11.828 -0.223 -25.422 859 H ALA 116 H ALA 116 -4.169 1.148 -21.575 860 HA ALA 116 HA ALA 116 -2.381 0.216 -23.621 861 1HB ALA 116 1HB ALA 116 -2.268 2.264 -21.446 862 2HB ALA 116 2HB ALA 116 -2.026 2.459 -23.183 863 3HB ALA 116 3HB ALA 116 -0.747 1.763 -22.187 864 H ALA 117 H ALA 117 -2.346 -0.104 -20.069 865 HA ALA 117 HA ALA 117 0.134 -1.580 -19.997 866 1HB ALA 117 1HB ALA 117 -1.603 -0.476 -18.107 867 2HB ALA 117 2HB ALA 117 -0.141 -1.398 -17.761 868 3HB ALA 117 3HB ALA 117 -1.703 -2.213 -17.823 869 H ILE 118 H ILE 118 -3.287 -2.514 -20.152 870 HA ILE 118 HA ILE 118 -2.963 -5.310 -19.789 871 HB ILE 118 HB ILE 118 -4.973 -3.627 -21.274 872 1HG1 ILE 118 2HG1 ILE 118 -5.338 -5.585 -18.992 873 2HG1 ILE 118 1HG1 ILE 118 -4.886 -3.901 -18.726 874 1HG2 ILE 118 1HG2 ILE 118 -5.067 -5.518 -22.649 875 2HG2 ILE 118 2HG2 ILE 118 -6.236 -5.927 -21.392 876 3HG2 ILE 118 3HG2 ILE 118 -4.612 -6.612 -21.342 877 1HD1 ILE 118 1HD1 ILE 118 -7.150 -4.226 -20.571 878 2HD1 ILE 118 2HD1 ILE 118 -6.975 -3.150 -19.184 879 3HD1 ILE 118 3HD1 ILE 118 -7.476 -4.824 -18.944 880 H ALA 119 H ALA 119 -2.849 -3.360 -22.779 881 HA ALA 119 HA ALA 119 -2.341 -5.596 -24.516 882 1HB ALA 119 1HB ALA 119 -1.336 -3.672 -25.989 883 2HB ALA 119 2HB ALA 119 -2.000 -2.616 -24.741 884 3HB ALA 119 3HB ALA 119 -3.068 -3.683 -25.654 885 H ASP 120 H ASP 120 -0.174 -3.227 -22.949 886 HA ASP 120 HA ASP 120 2.247 -4.351 -24.019 887 1HB ASP 120 2HB ASP 120 1.581 -2.515 -21.736 888 2HB ASP 120 1HB ASP 120 3.212 -3.173 -21.872 889 H TYR 121 H TYR 121 0.049 -5.572 -21.772 890 HA TYR 121 HA TYR 121 2.047 -7.019 -20.162 891 1HB TYR 121 2HB TYR 121 -0.061 -6.208 -19.131 892 2HB TYR 121 1HB TYR 121 -0.976 -7.259 -20.211 893 HD1 TYR 121 HD1 TYR 121 2.051 -7.579 -18.004 894 HD2 TYR 121 HD2 TYR 121 -1.707 -9.243 -19.253 895 HE1 TYR 121 HE1 TYR 121 2.370 -9.475 -16.437 896 HE2 TYR 121 HE2 TYR 121 -1.390 -11.137 -17.684 897 HH TYR 121 HH TYR 121 0.065 -11.375 -15.363 898 H LYS 122 H LYS 122 -0.604 -7.908 -22.404 899 HA LYS 122 HA LYS 122 0.043 -10.686 -22.514 900 1HB LYS 122 2HB LYS 122 -1.440 -8.807 -24.340 901 2HB LYS 122 1HB LYS 122 -1.129 -10.470 -24.840 902 1HG LYS 122 2HG LYS 122 -2.176 -11.258 -22.709 903 2HG LYS 122 1HG LYS 122 -2.589 -9.585 -22.335 904 1HD LYS 122 2HD LYS 122 -4.324 -9.571 -23.790 905 2HD LYS 122 1HD LYS 122 -3.393 -10.399 -25.039 906 1HE LYS 122 2HE LYS 122 -3.847 -12.543 -24.095 907 2HE LYS 122 1HE LYS 122 -4.458 -11.834 -22.600 908 1HZ LYS 122 1HZ LYS 122 -6.134 -12.649 -24.332 909 2HZ LYS 122 2HZ LYS 122 -5.736 -11.241 -25.193 910 3HZ LYS 122 3HZ LYS 122 -6.392 -11.127 -23.630 911 H ALA 123 H ALA 123 1.112 -7.942 -24.516 912 HA ALA 123 HA ALA 123 2.669 -9.547 -26.335 913 1HB ALA 123 1HB ALA 123 2.953 -6.621 -25.582 914 2HB ALA 123 2HB ALA 123 1.964 -7.256 -26.896 915 3HB ALA 123 3HB ALA 123 3.720 -7.395 -26.968 916 H LYS 124 H LYS 124 3.067 -9.102 -23.089 917 HA LYS 124 HA LYS 124 6.045 -9.100 -23.242 918 1HB LYS 124 2HB LYS 124 4.825 -7.493 -21.687 919 2HB LYS 124 1HB LYS 124 4.334 -8.906 -20.752 920 1HG LYS 124 2HG LYS 124 6.313 -8.850 -19.686 921 2HG LYS 124 1HG LYS 124 7.119 -9.173 -21.221 922 1HD LYS 124 2HD LYS 124 8.044 -7.126 -20.339 923 2HD LYS 124 1HD LYS 124 7.010 -6.694 -21.700 924 1HE LYS 124 2HE LYS 124 5.503 -5.615 -20.378 925 2HE LYS 124 1HE LYS 124 5.629 -6.814 -19.091 926 1HZ LYS 124 1HZ LYS 124 8.062 -5.396 -19.363 927 2HZ LYS 124 2HZ LYS 124 7.047 -5.526 -18.008 928 3HZ LYS 124 3HZ LYS 124 6.781 -4.304 -19.158 929 H GLN 125 H GLN 125 3.979 -11.375 -23.719 930 HA GLN 125 HA GLN 125 4.753 -13.264 -21.583 931 1HB GLN 125 2HB GLN 125 2.673 -13.120 -23.651 932 2HB GLN 125 1HB GLN 125 3.394 -14.723 -23.499 933 1HG GLN 125 2HG GLN 125 2.850 -14.853 -21.175 934 2HG GLN 125 1HG GLN 125 2.442 -13.138 -21.106 935 1HE2 GLN 125 1HE2 GLN 125 1.465 -15.561 -23.578 936 2HE2 GLN 125 2HE2 GLN 125 -0.202 -15.383 -23.312 937 H GLY 126 H GLY 126 4.706 -13.604 -25.147 938 1HA GLY 126 2HA GLY 126 7.083 -15.347 -24.959 939 2HA GLY 126 1HA GLY 126 6.119 -15.065 -26.410 940 H LEU 127 H LEU 127 6.418 -12.055 -25.414 941 HA LEU 127 HA LEU 127 7.796 -10.255 -26.021 942 1HB LEU 127 2HB LEU 127 10.095 -12.217 -26.026 943 2HB LEU 127 1HB LEU 127 10.131 -10.493 -25.653 944 HG LEU 127 HG LEU 127 8.895 -12.704 -23.993 945 1HD1 LEU 127 1HD1 LEU 127 11.389 -11.170 -23.952 946 2HD1 LEU 127 2HD1 LEU 127 10.967 -12.647 -23.085 947 3HD1 LEU 127 3HD1 LEU 127 10.512 -11.075 -22.425 948 1HD2 LEU 127 1HD2 LEU 127 8.690 -9.689 -23.742 949 2HD2 LEU 127 2HD2 LEU 127 8.300 -10.802 -22.432 950 3HD2 LEU 127 3HD2 LEU 127 7.363 -10.836 -23.925 951 H GLU 128 H GLU 128 6.484 -11.671 -28.100 952 HA GLU 128 HA GLU 128 8.473 -12.029 -30.253 953 1HB GLU 128 2HB GLU 128 6.173 -12.304 -31.564 954 2HB GLU 128 1HB GLU 128 6.797 -13.604 -30.547 955 1HG GLU 128 2HG GLU 128 4.967 -11.475 -29.436 956 2HG GLU 128 1HG GLU 128 4.330 -12.926 -30.207 957 H HIS 129 H HIS 129 8.008 -10.873 -32.380 958 HA HIS 129 HA HIS 129 6.616 -8.297 -32.159 959 1HB HIS 129 2HB HIS 129 9.626 -8.472 -32.470 960 2HB HIS 129 1HB HIS 129 8.690 -7.020 -32.823 961 HD2 HIS 129 HD2 HIS 129 7.154 -6.091 -30.434 962 HE1 HIS 129 HE1 HIS 129 9.918 -7.840 -27.763 963 HE2 HIS 129 HE2 HIS 129 7.992 -6.202 -27.966 964 H HIS 130 H HIS 130 8.594 -7.467 -34.434 965 HA HIS 130 HA HIS 130 7.533 -9.287 -36.544 966 1HB HIS 130 2HB HIS 130 6.640 -7.542 -37.820 967 2HB HIS 130 1HB HIS 130 6.227 -7.037 -36.181 968 HD2 HIS 130 HD2 HIS 130 7.816 -5.458 -39.180 969 HE1 HIS 130 HE1 HIS 130 9.627 -3.515 -35.897 970 HE2 HIS 130 HE2 HIS 130 9.270 -3.435 -38.406 971 H HIS 131 H HIS 131 9.960 -6.994 -35.458 972 HA HIS 131 HA HIS 131 11.948 -8.247 -37.186 973 1HB HIS 131 2HB HIS 131 10.683 -6.483 -38.612 974 2HB HIS 131 1HB HIS 131 11.532 -5.292 -37.625 975 HD2 HIS 131 HD2 HIS 131 13.289 -4.565 -39.760 976 HE1 HIS 131 HE1 HIS 131 15.191 -8.326 -40.035 977 HE2 HIS 131 HE2 HIS 131 15.271 -5.908 -40.796 978 H HIS 132 H HIS 132 13.197 -8.579 -35.335 979 HA HIS 132 HA HIS 132 14.313 -6.100 -34.106 980 1HB HIS 132 2HB HIS 132 14.390 -7.434 -31.921 981 2HB HIS 132 1HB HIS 132 12.797 -6.878 -32.435 982 HD2 HIS 132 HD2 HIS 132 13.035 -9.676 -30.632 983 HE1 HIS 132 HE1 HIS 132 12.105 -11.604 -34.272 984 HE2 HIS 132 HE2 HIS 132 12.198 -11.877 -31.752 985 H HIS 133 H HIS 133 16.409 -6.153 -34.786 986 HA HIS 133 HA HIS 133 17.815 -8.792 -34.760 987 1HB HIS 133 2HB HIS 133 19.405 -6.909 -36.121 988 2HB HIS 133 1HB HIS 133 18.451 -8.206 -36.843 989 HD2 HIS 133 HD2 HIS 133 15.632 -7.322 -37.366 990 HE1 HIS 133 HE1 HIS 133 16.809 -3.288 -37.786 991 HE2 HIS 133 HE2 HIS 133 14.935 -4.948 -38.189 992 H HIS 134 HN HIS 134 17.374 -6.396 -32.707 993 HA HIS 134 HA HIS 134 20.260 -6.154 -31.965 994 1HB HIS 134 2HB HIS 134 18.941 -4.309 -30.411 995 2HB HIS 134 1HB HIS 134 19.719 -3.946 -31.951 996 HD2 HIS 134 HD2 HIS 134 16.189 -3.924 -30.426 997 HE1 HIS 134 HE1 HIS 134 15.682 -3.591 -34.606 998 HE2 HIS 134 HE2 HIS 134 14.512 -3.428 -32.361 Start of MODEL 19 1 1H MET 1 1H MET 1 23.228 -21.550 7.669 2 2H MET 1 2H MET 1 23.653 -21.171 9.270 3 3H MET 1 3H MET 1 22.497 -20.235 8.450 4 HA MET 1 HA MET 1 20.851 -21.569 9.052 5 1HB MET 1 2HB MET 1 21.472 -23.040 7.180 6 2HB MET 1 1HB MET 1 22.668 -23.844 8.198 7 1HG MET 1 2HG MET 1 21.078 -24.983 9.411 8 2HG MET 1 1HG MET 1 19.878 -23.701 9.239 9 1HE MET 1 1HE MET 1 17.619 -24.668 7.980 10 2HE MET 1 2HE MET 1 17.924 -24.261 6.292 11 3HE MET 1 3HE MET 1 18.522 -23.204 7.568 12 H ALA 2 H ALA 2 23.839 -21.542 10.504 13 HA ALA 2 HA ALA 2 23.224 -23.466 12.643 14 1HB ALA 2 1HB ALA 2 25.399 -21.596 13.187 15 2HB ALA 2 2HB ALA 2 25.574 -22.374 11.613 16 3HB ALA 2 3HB ALA 2 25.440 -23.356 13.072 17 H TYR 3 H TYR 3 22.821 -22.845 14.836 18 HA TYR 3 HA TYR 3 22.150 -19.967 15.252 19 1HB TYR 3 2HB TYR 3 20.428 -22.252 16.246 20 2HB TYR 3 1HB TYR 3 20.059 -20.529 16.298 21 HD1 TYR 3 HD1 TYR 3 19.879 -19.269 14.057 22 HD2 TYR 3 HD2 TYR 3 19.815 -23.553 14.376 23 HE1 TYR 3 HE1 TYR 3 18.847 -19.421 11.808 24 HE2 TYR 3 HE2 TYR 3 18.782 -23.704 12.126 25 HH TYR 3 HH TYR 3 17.841 -20.786 10.337 26 H SER 4 H SER 4 23.465 -22.927 16.425 27 HA SER 4 HA SER 4 23.391 -22.400 19.242 28 1HB SER 4 2HB SER 4 24.134 -24.534 19.065 29 2HB SER 4 1HB SER 4 24.742 -24.270 17.433 30 HG SER 4 HG SER 4 26.146 -24.503 19.614 31 H GLU 5 H GLU 5 25.918 -21.753 16.792 32 HA GLU 5 HA GLU 5 27.596 -20.343 18.707 33 1HB GLU 5 2HB GLU 5 27.688 -20.318 15.674 34 2HB GLU 5 1HB GLU 5 28.972 -19.783 16.758 35 1HG GLU 5 2HG GLU 5 29.737 -21.888 16.946 36 2HG GLU 5 1HG GLU 5 28.158 -22.438 17.510 37 H LYS 6 H LYS 6 27.884 -18.338 16.227 38 HA LYS 6 HA LYS 6 25.544 -16.616 16.741 39 1HB LYS 6 2HB LYS 6 27.445 -14.736 17.126 40 2HB LYS 6 1HB LYS 6 26.693 -15.614 18.459 41 1HG LYS 6 2HG LYS 6 28.548 -16.930 18.828 42 2HG LYS 6 1HG LYS 6 29.043 -16.888 17.135 43 1HD LYS 6 2HD LYS 6 29.593 -14.423 17.490 44 2HD LYS 6 1HD LYS 6 29.386 -14.719 19.217 45 1HE LYS 6 2HE LYS 6 31.590 -15.508 17.431 46 2HE LYS 6 1HE LYS 6 31.584 -15.286 19.181 47 1HZ LYS 6 1HZ LYS 6 31.963 -17.603 18.512 48 2HZ LYS 6 2HZ LYS 6 30.435 -17.632 17.771 49 3HZ LYS 6 3HZ LYS 6 30.563 -17.425 19.452 50 H VAL 7 H VAL 7 25.212 -16.920 14.457 51 HA VAL 7 HA VAL 7 27.302 -15.708 12.705 52 HB VAL 7 HB VAL 7 25.430 -16.816 11.016 53 1HG1 VAL 7 1HG1 VAL 7 27.088 -18.539 10.649 54 2HG1 VAL 7 2HG1 VAL 7 27.761 -18.303 12.262 55 3HG1 VAL 7 3HG1 VAL 7 27.945 -17.048 11.037 56 1HG2 VAL 7 1HG2 VAL 7 24.196 -17.776 12.920 57 2HG2 VAL 7 2HG2 VAL 7 25.668 -18.563 13.489 58 3HG2 VAL 7 3HG2 VAL 7 24.939 -19.057 11.961 59 H ILE 8 H ILE 8 23.725 -15.862 12.940 60 HA ILE 8 HA ILE 8 22.114 -14.247 12.382 61 HB ILE 8 HB ILE 8 24.347 -12.363 13.198 62 1HG1 ILE 8 2HG1 ILE 8 22.997 -12.416 15.394 63 2HG1 ILE 8 1HG1 ILE 8 22.245 -13.879 14.756 64 1HG2 ILE 8 1HG2 ILE 8 21.684 -11.493 13.853 65 2HG2 ILE 8 2HG2 ILE 8 21.758 -11.877 12.133 66 3HG2 ILE 8 3HG2 ILE 8 22.878 -10.701 12.823 67 1HD1 ILE 8 1HD1 ILE 8 24.437 -14.024 16.245 68 2HD1 ILE 8 2HD1 ILE 8 25.233 -13.679 14.711 69 3HD1 ILE 8 3HD1 ILE 8 24.209 -15.106 14.871 70 H ASP 9 H ASP 9 21.676 -14.143 10.223 71 HA ASP 9 HA ASP 9 23.370 -12.352 8.566 72 1HB ASP 9 2HB ASP 9 23.095 -14.138 6.696 73 2HB ASP 9 1HB ASP 9 24.328 -14.409 7.928 74 H HIS 10 H HIS 10 20.324 -13.609 9.457 75 HA HIS 10 HA HIS 10 18.868 -12.961 7.042 76 1HB HIS 10 2HB HIS 10 16.884 -12.944 8.709 77 2HB HIS 10 1HB HIS 10 17.761 -14.459 8.495 78 HD2 HIS 10 HD2 HIS 10 18.333 -15.538 10.963 79 HE1 HIS 10 HE1 HIS 10 18.789 -11.937 13.122 80 HE2 HIS 10 HE2 HIS 10 18.853 -14.467 13.284 81 H TYR 11 H TYR 11 17.444 -11.440 9.745 82 HA TYR 11 HA TYR 11 16.797 -9.183 9.987 83 1HB TYR 11 2HB TYR 11 18.958 -9.122 11.101 84 2HB TYR 11 1HB TYR 11 19.790 -8.960 9.555 85 HD1 TYR 11 HD1 TYR 11 16.970 -7.299 11.406 86 HD2 TYR 11 HD2 TYR 11 20.463 -6.820 8.953 87 HE1 TYR 11 HE1 TYR 11 16.713 -4.834 11.520 88 HE2 TYR 11 HE2 TYR 11 20.206 -4.357 9.066 89 HH TYR 11 HH TYR 11 19.167 -2.684 10.523 90 H GLU 12 H GLU 12 16.054 -9.918 7.507 91 HA GLU 12 HA GLU 12 17.292 -8.478 5.353 92 1HB GLU 12 2HB GLU 12 15.245 -8.965 4.105 93 2HB GLU 12 1HB GLU 12 15.722 -10.390 5.031 94 1HG GLU 12 2HG GLU 12 13.691 -8.351 5.986 95 2HG GLU 12 1HG GLU 12 13.269 -9.867 5.190 96 H ASN 13 H ASN 13 16.837 -6.426 4.521 97 HA ASN 13 HA ASN 13 15.596 -4.546 6.400 98 1HB ASN 13 2HB ASN 13 16.206 -3.361 3.843 99 2HB ASN 13 1HB ASN 13 16.988 -3.087 5.401 100 1HD2 ASN 13 1HD2 ASN 13 16.898 -5.676 2.873 101 2HD2 ASN 13 2HD2 ASN 13 18.561 -6.008 2.955 102 HA PRO 14 HA PRO 14 11.608 -4.398 4.544 103 1HB PRO 14 2HB PRO 14 10.967 -1.757 4.907 104 2HB PRO 14 1HB PRO 14 10.972 -2.953 6.215 105 1HG PRO 14 2HG PRO 14 12.997 -0.892 5.525 106 2HG PRO 14 1HG PRO 14 12.466 -1.471 7.112 107 1HD PRO 14 2HD PRO 14 14.815 -2.263 5.924 108 2HD PRO 14 1HD PRO 14 13.924 -3.257 7.097 109 H ARG 15 H ARG 15 10.702 -4.059 2.524 110 HA ARG 15 HA ARG 15 12.307 -2.446 0.604 111 1HB ARG 15 2HB ARG 15 10.151 -4.534 0.150 112 2HB ARG 15 1HB ARG 15 11.007 -3.679 -1.133 113 1HG ARG 15 2HG ARG 15 13.130 -4.612 -0.420 114 2HG ARG 15 1HG ARG 15 12.375 -5.349 0.993 115 1HD ARG 15 2HD ARG 15 12.634 -7.058 -0.711 116 2HD ARG 15 1HD ARG 15 10.918 -6.685 -0.551 117 HE ARG 15 HE ARG 15 11.781 -4.994 -2.573 118 1HH1 ARG 15 1HH2 ARG 15 11.917 -8.371 -1.895 119 2HH1 ARG 15 2HH2 ARG 15 11.899 -8.842 -3.562 120 1HH2 ARG 15 2HH1 ARG 15 11.756 -5.589 -4.753 121 2HH2 ARG 15 1HH1 ARG 15 11.807 -7.267 -5.179 122 H ASN 16 H ASN 16 10.611 -1.614 -1.258 123 HA ASN 16 HA ASN 16 8.086 -0.623 -0.227 124 1HB ASN 16 2HB ASN 16 8.780 1.818 -0.394 125 2HB ASN 16 1HB ASN 16 9.430 0.946 0.994 126 1HD2 ASN 16 1HD2 ASN 16 10.940 3.087 0.419 127 2HD2 ASN 16 2HD2 ASN 16 12.341 2.681 -0.448 128 H VAL 17 H VAL 17 10.686 0.139 -2.570 129 HA VAL 17 HA VAL 17 8.632 0.746 -4.613 130 HB VAL 17 HB VAL 17 10.994 0.967 -5.932 131 1HG1 VAL 17 1HG1 VAL 17 10.931 3.395 -5.164 132 2HG1 VAL 17 2HG1 VAL 17 9.629 2.926 -4.071 133 3HG1 VAL 17 3HG1 VAL 17 9.415 2.769 -5.815 134 1HG2 VAL 17 1HG2 VAL 17 12.117 0.219 -3.741 135 2HG2 VAL 17 2HG2 VAL 17 11.654 1.794 -3.100 136 3HG2 VAL 17 3HG2 VAL 17 12.740 1.691 -4.485 137 H GLY 18 H GLY 18 7.892 -0.857 -5.904 138 1HA GLY 18 2HA GLY 18 9.642 -3.250 -6.306 139 2HA GLY 18 1HA GLY 18 7.878 -3.301 -6.339 140 H SER 19 H SER 19 6.922 -3.158 -8.316 141 HA SER 19 HA SER 19 6.828 -3.086 -10.672 142 1HB SER 19 2HB SER 19 8.151 -0.699 -11.250 143 2HB SER 19 1HB SER 19 6.437 -0.873 -10.882 144 HG SER 19 HG SER 19 8.438 -0.642 -8.889 145 H LEU 20 H LEU 20 8.441 -4.896 -10.773 146 HA LEU 20 HA LEU 20 11.246 -4.396 -11.107 147 1HB LEU 20 2HB LEU 20 9.411 -6.666 -11.857 148 2HB LEU 20 1HB LEU 20 11.096 -6.670 -12.379 149 HG LEU 20 HG LEU 20 10.455 -6.109 -9.501 150 1HD1 LEU 20 1HD1 LEU 20 9.247 -8.110 -9.673 151 2HD1 LEU 20 2HD1 LEU 20 10.861 -8.683 -9.250 152 3HD1 LEU 20 3HD1 LEU 20 10.309 -8.756 -10.924 153 1HD2 LEU 20 1HD2 LEU 20 12.751 -7.300 -11.071 154 2HD2 LEU 20 2HD2 LEU 20 12.663 -7.400 -9.313 155 3HD2 LEU 20 3HD2 LEU 20 12.749 -5.825 -10.104 156 H ASP 21 H ASP 21 12.447 -4.605 -13.180 157 HA ASP 21 HA ASP 21 11.669 -2.768 -15.140 158 1HB ASP 21 2HB ASP 21 13.558 -5.091 -15.111 159 2HB ASP 21 1HB ASP 21 13.191 -4.337 -16.663 160 H LYS 22 H LYS 22 11.282 -3.472 -17.561 161 HA LYS 22 HA LYS 22 8.768 -4.974 -17.571 162 1HB LYS 22 2HB LYS 22 10.023 -4.225 -20.151 163 2HB LYS 22 1HB LYS 22 8.376 -3.957 -19.581 164 1HG LYS 22 2HG LYS 22 9.277 -2.183 -18.036 165 2HG LYS 22 1HG LYS 22 10.846 -2.375 -18.818 166 1HD LYS 22 2HD LYS 22 9.927 -1.720 -20.963 167 2HD LYS 22 1HD LYS 22 8.291 -1.697 -20.301 168 1HE LYS 22 2HE LYS 22 8.958 0.578 -20.297 169 2HE LYS 22 1HE LYS 22 9.184 0.049 -18.629 170 1HZ LYS 22 1HZ LYS 22 11.321 0.538 -18.783 171 2HZ LYS 22 2HZ LYS 22 11.090 1.097 -20.370 172 3HZ LYS 22 3HZ LYS 22 11.509 -0.526 -20.091 173 H LYS 23 H LYS 23 11.629 -6.191 -17.189 174 HA LYS 23 HA LYS 23 11.796 -8.039 -19.465 175 1HB LYS 23 2HB LYS 23 13.922 -7.585 -18.616 176 2HB LYS 23 1HB LYS 23 13.364 -7.591 -16.942 177 1HG LYS 23 2HG LYS 23 13.175 -9.974 -16.913 178 2HG LYS 23 1HG LYS 23 13.362 -10.078 -18.664 179 1HD LYS 23 2HD LYS 23 15.511 -10.627 -17.955 180 2HD LYS 23 1HD LYS 23 15.666 -8.885 -18.188 181 1HE LYS 23 2HE LYS 23 15.087 -8.595 -15.746 182 2HE LYS 23 1HE LYS 23 15.200 -10.347 -15.577 183 1HZ LYS 23 1HZ LYS 23 17.442 -9.103 -16.913 184 2HZ LYS 23 2HZ LYS 23 17.421 -10.301 -15.709 185 3HZ LYS 23 3HZ LYS 23 17.263 -8.664 -15.284 186 H ASP 24 H ASP 24 10.042 -7.883 -16.560 187 HA ASP 24 HA ASP 24 9.823 -10.834 -16.326 188 1HB ASP 24 2HB ASP 24 9.048 -8.502 -14.603 189 2HB ASP 24 1HB ASP 24 8.212 -10.041 -14.391 190 H SER 25 H SER 25 7.686 -11.840 -16.359 191 HA SER 25 HA SER 25 5.912 -10.537 -18.337 192 1HB SER 25 2HB SER 25 5.670 -12.662 -19.048 193 2HB SER 25 1HB SER 25 6.634 -13.242 -17.692 194 HG SER 25 HG SER 25 4.736 -13.227 -16.436 195 H ASN 26 H ASN 26 6.190 -10.094 -15.209 196 HA ASN 26 HA ASN 26 3.254 -10.273 -14.662 197 1HB ASN 26 2HB ASN 26 4.124 -9.989 -12.207 198 2HB ASN 26 1HB ASN 26 4.253 -11.567 -12.984 199 1HD2 ASN 26 1HD2 ASN 26 6.143 -8.621 -12.218 200 2HD2 ASN 26 2HD2 ASN 26 7.658 -9.383 -12.294 201 H VAL 27 H VAL 27 5.034 -8.118 -15.973 202 HA VAL 27 HA VAL 27 3.921 -5.878 -14.358 203 HB VAL 27 HB VAL 27 6.784 -6.193 -15.278 204 1HG1 VAL 27 1HG1 VAL 27 6.588 -4.001 -15.903 205 2HG1 VAL 27 2HG1 VAL 27 6.716 -3.718 -14.168 206 3HG1 VAL 27 3HG1 VAL 27 5.131 -3.752 -14.941 207 1HG2 VAL 27 1HG2 VAL 27 5.823 -5.175 -12.618 208 2HG2 VAL 27 2HG2 VAL 27 7.324 -6.014 -13.010 209 3HG2 VAL 27 3HG2 VAL 27 5.805 -6.908 -12.944 210 H GLY 28 H GLY 28 2.381 -5.322 -15.901 211 1HA GLY 28 2HA GLY 28 3.146 -5.121 -18.738 212 2HA GLY 28 1HA GLY 28 1.541 -4.811 -18.072 213 H THR 29 H THR 29 4.066 -3.296 -19.529 214 HA THR 29 HA THR 29 4.070 -0.835 -17.930 215 HB THR 29 HB THR 29 5.161 -1.187 -20.730 216 HG1 THR 29 HG1 THR 29 6.157 -2.008 -18.229 217 1HG2 THR 29 1HG2 THR 29 5.062 0.970 -18.903 218 2HG2 THR 29 2HG2 THR 29 5.971 0.886 -20.412 219 3HG2 THR 29 3HG2 THR 29 6.729 0.393 -18.897 220 H GLY 30 H GLY 30 2.850 0.983 -18.349 221 1HA GLY 30 2HA GLY 30 1.151 0.946 -20.811 222 2HA GLY 30 1HA GLY 30 0.467 1.366 -19.239 223 H MET 31 H MET 31 2.718 2.422 -21.746 224 HA MET 31 HA MET 31 3.024 5.051 -20.411 225 1HB MET 31 2HB MET 31 4.391 3.628 -22.665 226 2HB MET 31 1HB MET 31 4.446 5.391 -22.627 227 1HG MET 31 2HG MET 31 5.315 5.289 -20.300 228 2HG MET 31 1HG MET 31 5.323 3.528 -20.400 229 1HE MET 31 1HE MET 31 7.229 6.376 -20.292 230 2HE MET 31 2HE MET 31 8.797 5.900 -20.937 231 3HE MET 31 3HE MET 31 8.061 4.956 -19.645 232 H VAL 32 H VAL 32 1.262 6.347 -20.756 233 HA VAL 32 HA VAL 32 0.422 6.748 -23.589 234 HB VAL 32 HB VAL 32 -1.956 7.032 -22.618 235 1HG1 VAL 32 1HG1 VAL 32 -2.448 4.804 -23.139 236 2HG1 VAL 32 2HG1 VAL 32 -0.969 4.201 -22.391 237 3HG1 VAL 32 3HG1 VAL 32 -0.896 5.032 -23.945 238 1HG2 VAL 32 1HG2 VAL 32 -1.176 5.087 -20.514 239 2HG2 VAL 32 2HG2 VAL 32 -2.402 6.355 -20.475 240 3HG2 VAL 32 3HG2 VAL 32 -0.704 6.762 -20.225 241 H GLY 33 H GLY 33 -0.958 8.831 -23.723 242 1HA GLY 33 2HA GLY 33 -0.618 10.807 -21.621 243 2HA GLY 33 1HA GLY 33 0.493 11.072 -22.966 244 H ALA 34 H ALA 34 -0.982 13.132 -22.936 245 HA ALA 34 HA ALA 34 -3.274 12.607 -24.786 246 1HB ALA 34 1HB ALA 34 -3.142 14.146 -22.277 247 2HB ALA 34 2HB ALA 34 -4.542 13.469 -23.107 248 3HB ALA 34 3HB ALA 34 -3.880 15.021 -23.618 249 HA PRO 35 HA PRO 35 -0.073 15.037 -27.077 250 1HB PRO 35 2HB PRO 35 -1.936 14.190 -29.244 251 2HB PRO 35 1HB PRO 35 -0.166 14.112 -29.183 252 1HG PRO 35 2HG PRO 35 -1.701 11.940 -28.885 253 2HG PRO 35 1HG PRO 35 -0.156 12.133 -28.043 254 1HD PRO 35 2HD PRO 35 -2.922 12.301 -26.956 255 2HD PRO 35 1HD PRO 35 -1.411 11.848 -26.137 256 H ALA 36 H ALA 36 -3.454 15.379 -26.593 257 HA ALA 36 HA ALA 36 -4.081 17.537 -28.330 258 1HB ALA 36 1HB ALA 36 -5.906 18.028 -26.803 259 2HB ALA 36 2HB ALA 36 -5.114 17.131 -25.508 260 3HB ALA 36 3HB ALA 36 -5.733 16.276 -26.921 261 H CYS 37 H CYS 37 -2.689 17.551 -25.047 262 HA CYS 37 HA CYS 37 -1.944 20.413 -25.517 263 1HB CYS 37 2HB CYS 37 -2.426 19.069 -22.842 264 2HB CYS 37 1HB CYS 37 -2.114 20.782 -23.122 265 HG CYS 37 HG CYS 37 -4.663 19.486 -24.371 266 H GLY 38 H GLY 38 -0.955 17.304 -24.116 267 1HA GLY 38 2HA GLY 38 1.457 16.724 -24.718 268 2HA GLY 38 1HA GLY 38 1.859 18.326 -24.100 269 H ASP 39 H ASP 39 -0.498 16.097 -22.677 270 HA ASP 39 HA ASP 39 1.008 16.250 -20.133 271 1HB ASP 39 2HB ASP 39 -1.778 15.796 -20.923 272 2HB ASP 39 1HB ASP 39 -1.227 14.676 -19.676 273 H VAL 40 H VAL 40 2.517 14.693 -19.778 274 HA VAL 40 HA VAL 40 2.270 12.089 -21.165 275 HB VAL 40 HB VAL 40 4.486 12.979 -19.304 276 1HG1 VAL 40 1HG1 VAL 40 4.243 10.921 -21.514 277 2HG1 VAL 40 2HG1 VAL 40 4.533 10.621 -19.801 278 3HG1 VAL 40 3HG1 VAL 40 5.780 11.388 -20.786 279 1HG2 VAL 40 1HG2 VAL 40 4.978 13.167 -22.195 280 2HG2 VAL 40 2HG2 VAL 40 5.381 14.308 -20.912 281 3HG2 VAL 40 3HG2 VAL 40 3.767 14.313 -21.622 282 H MET 41 H MET 41 1.587 10.260 -20.124 283 HA MET 41 HA MET 41 1.526 10.294 -17.139 284 1HB MET 41 2HB MET 41 -0.727 10.854 -17.964 285 2HB MET 41 1HB MET 41 -0.729 9.398 -18.960 286 1HG MET 41 2HG MET 41 -0.962 7.985 -17.142 287 2HG MET 41 1HG MET 41 -0.171 9.107 -16.036 288 1HE MET 41 1HE MET 41 -3.918 7.809 -15.788 289 2HE MET 41 2HE MET 41 -3.162 8.491 -14.350 290 3HE MET 41 3HE MET 41 -2.225 7.452 -15.420 291 H GLN 42 H GLN 42 2.310 8.430 -16.269 292 HA GLN 42 HA GLN 42 2.507 6.038 -18.055 293 1HB GLN 42 2HB GLN 42 4.738 6.873 -17.856 294 2HB GLN 42 1HB GLN 42 4.544 7.179 -16.130 295 1HG GLN 42 2HG GLN 42 4.631 4.895 -15.586 296 2HG GLN 42 1HG GLN 42 4.229 4.393 -17.228 297 1HE2 GLN 42 1HE2 GLN 42 6.636 6.914 -16.566 298 2HE2 GLN 42 2HE2 GLN 42 7.978 6.008 -17.075 299 H LEU 43 H LEU 43 1.670 4.189 -17.168 300 HA LEU 43 HA LEU 43 1.389 4.017 -14.215 301 1HB LEU 43 2HB LEU 43 -0.741 4.951 -15.046 302 2HB LEU 43 1HB LEU 43 -0.898 3.597 -16.164 303 HG LEU 43 HG LEU 43 -0.394 2.634 -13.478 304 1HD1 LEU 43 1HD1 LEU 43 -2.851 4.374 -13.861 305 2HD1 LEU 43 2HD1 LEU 43 -1.482 4.760 -12.819 306 3HD1 LEU 43 3HD1 LEU 43 -2.505 3.371 -12.451 307 1HD2 LEU 43 1HD2 LEU 43 -1.347 1.207 -15.158 308 2HD2 LEU 43 2HD2 LEU 43 -2.625 2.370 -15.511 309 3HD2 LEU 43 3HD2 LEU 43 -2.624 1.499 -13.978 310 H GLN 44 H GLN 44 2.481 2.154 -13.788 311 HA GLN 44 HA GLN 44 2.245 -0.103 -15.723 312 1HB GLN 44 2HB GLN 44 4.204 0.367 -13.455 313 2HB GLN 44 1HB GLN 44 4.219 -1.029 -14.533 314 1HG GLN 44 2HG GLN 44 5.201 0.139 -16.205 315 2HG GLN 44 1HG GLN 44 4.127 1.518 -15.979 316 1HE2 GLN 44 1HE2 GLN 44 6.494 2.508 -16.431 317 2HE2 GLN 44 2HE2 GLN 44 7.376 2.888 -15.032 318 H ILE 45 H ILE 45 1.478 -2.124 -15.026 319 HA ILE 45 HA ILE 45 0.138 -2.093 -12.358 320 HB ILE 45 HB ILE 45 -0.984 -4.216 -13.545 321 1HG1 ILE 45 2HG1 ILE 45 -0.709 -2.455 -15.942 322 2HG1 ILE 45 1HG1 ILE 45 0.646 -3.518 -15.561 323 1HG2 ILE 45 1HG2 ILE 45 -2.557 -2.668 -12.957 324 2HG2 ILE 45 2HG2 ILE 45 -2.504 -2.261 -14.672 325 3HG2 ILE 45 3HG2 ILE 45 -1.574 -1.312 -13.511 326 1HD1 ILE 45 1HD1 ILE 45 -2.227 -4.309 -16.087 327 2HD1 ILE 45 2HD1 ILE 45 -1.042 -5.414 -15.393 328 3HD1 ILE 45 3HD1 ILE 45 -0.797 -4.764 -17.014 329 H LYS 46 H LYS 46 0.424 -3.873 -10.946 330 HA LYS 46 HA LYS 46 2.673 -5.704 -11.690 331 1HB LYS 46 2HB LYS 46 2.489 -3.875 -9.536 332 2HB LYS 46 1HB LYS 46 2.299 -5.482 -8.833 333 1HG LYS 46 2HG LYS 46 4.546 -4.619 -10.680 334 2HG LYS 46 1HG LYS 46 4.680 -4.849 -8.936 335 1HD LYS 46 2HD LYS 46 3.583 -7.233 -9.682 336 2HD LYS 46 1HD LYS 46 4.568 -6.863 -11.098 337 1HE LYS 46 2HE LYS 46 5.832 -8.150 -9.379 338 2HE LYS 46 1HE LYS 46 6.544 -6.567 -9.691 339 1HZ LYS 46 1HZ LYS 46 4.567 -6.399 -7.667 340 2HZ LYS 46 2HZ LYS 46 6.211 -5.978 -7.597 341 3HZ LYS 46 3HZ LYS 46 5.723 -7.570 -7.257 342 H VAL 47 H VAL 47 1.937 -7.755 -11.931 343 HA VAL 47 HA VAL 47 -0.430 -8.594 -10.306 344 HB VAL 47 HB VAL 47 0.568 -9.813 -12.897 345 1HG1 VAL 47 1HG1 VAL 47 -2.140 -10.065 -11.574 346 2HG1 VAL 47 2HG1 VAL 47 -0.823 -11.190 -11.246 347 3HG1 VAL 47 3HG1 VAL 47 -1.474 -11.048 -12.878 348 1HG2 VAL 47 1HG2 VAL 47 -0.875 -8.450 -14.088 349 2HG2 VAL 47 2HG2 VAL 47 -0.423 -7.334 -12.799 350 3HG2 VAL 47 3HG2 VAL 47 -1.952 -8.209 -12.713 351 H ASP 48 H ASP 48 -0.162 -10.309 -8.926 352 HA ASP 48 HA ASP 48 1.823 -12.368 -9.315 353 1HB ASP 48 2HB ASP 48 2.551 -9.978 -7.744 354 2HB ASP 48 1HB ASP 48 2.848 -11.514 -6.929 355 H ASP 49 H ASP 49 -0.404 -10.664 -7.186 356 HA ASP 49 HA ASP 49 -0.601 -12.657 -5.145 357 1HB ASP 49 2HB ASP 49 -2.355 -10.428 -6.119 358 2HB ASP 49 1HB ASP 49 -3.042 -11.623 -5.018 359 H ASN 50 H ASN 50 -0.410 -14.174 -7.370 360 HA ASN 50 HA ASN 50 -1.441 -16.090 -8.281 361 1HB ASN 50 2HB ASN 50 -4.071 -15.311 -7.049 362 2HB ASN 50 1HB ASN 50 -3.408 -16.920 -7.328 363 1HD2 ASN 50 1HD2 ASN 50 -3.447 -14.203 -5.092 364 2HD2 ASN 50 2HD2 ASN 50 -2.530 -14.951 -3.876 365 H GLY 51 H GLY 51 -1.186 -13.827 -9.815 366 1HA GLY 51 2HA GLY 51 -1.986 -13.169 -11.949 367 2HA GLY 51 1HA GLY 51 -3.440 -14.129 -11.665 368 H ILE 52 H ILE 52 -3.270 -12.498 -8.906 369 HA ILE 52 HA ILE 52 -5.173 -10.449 -9.840 370 HB ILE 52 HB ILE 52 -4.219 -11.155 -7.048 371 1HG1 ILE 52 2HG1 ILE 52 -5.453 -12.987 -8.112 372 2HG1 ILE 52 1HG1 ILE 52 -6.464 -12.227 -6.883 373 1HG2 ILE 52 1HG2 ILE 52 -6.412 -9.918 -6.481 374 2HG2 ILE 52 2HG2 ILE 52 -6.315 -9.259 -8.114 375 3HG2 ILE 52 3HG2 ILE 52 -5.030 -8.928 -6.953 376 1HD1 ILE 52 1HD1 ILE 52 -7.951 -12.331 -8.671 377 2HD1 ILE 52 2HD1 ILE 52 -6.684 -12.079 -9.871 378 3HD1 ILE 52 3HD1 ILE 52 -7.262 -10.725 -8.901 379 H ILE 53 H ILE 53 -4.905 -8.172 -9.061 380 HA ILE 53 HA ILE 53 -2.189 -7.248 -9.617 381 HB ILE 53 HB ILE 53 -4.770 -5.825 -8.925 382 1HG1 ILE 53 2HG1 ILE 53 -3.079 -5.853 -11.447 383 2HG1 ILE 53 1HG1 ILE 53 -4.512 -6.853 -11.197 384 1HG2 ILE 53 1HG2 ILE 53 -3.416 -3.757 -9.625 385 2HG2 ILE 53 2HG2 ILE 53 -1.980 -4.743 -9.351 386 3HG2 ILE 53 3HG2 ILE 53 -3.086 -4.409 -8.020 387 1HD1 ILE 53 1HD1 ILE 53 -5.916 -4.891 -10.971 388 2HD1 ILE 53 2HD1 ILE 53 -4.976 -4.722 -12.454 389 3HD1 ILE 53 3HD1 ILE 53 -4.509 -3.828 -11.006 390 H GLU 54 H GLU 54 -0.653 -7.077 -8.068 391 HA GLU 54 HA GLU 54 -1.425 -7.136 -5.224 392 1HB GLU 54 2HB GLU 54 0.574 -8.389 -6.282 393 2HB GLU 54 1HB GLU 54 1.382 -6.821 -6.292 394 1HG GLU 54 2HG GLU 54 0.248 -7.048 -3.728 395 2HG GLU 54 1HG GLU 54 0.945 -8.632 -4.069 396 H ASP 55 H ASP 55 -0.151 -4.873 -7.593 397 HA ASP 55 HA ASP 55 -0.971 -2.582 -6.083 398 1HB ASP 55 2HB ASP 55 1.361 -1.684 -5.642 399 2HB ASP 55 1HB ASP 55 0.880 -3.030 -4.609 400 H ALA 56 H ALA 56 -0.457 -0.581 -7.255 401 HA ALA 56 HA ALA 56 0.660 -1.059 -9.985 402 1HB ALA 56 1HB ALA 56 -1.186 -0.206 -11.030 403 2HB ALA 56 2HB ALA 56 -1.510 0.948 -9.735 404 3HB ALA 56 3HB ALA 56 -2.003 -0.736 -9.559 405 H LYS 57 H LYS 57 2.001 0.576 -10.728 406 HA LYS 57 HA LYS 57 2.515 2.797 -8.805 407 1HB LYS 57 2HB LYS 57 4.383 1.203 -9.584 408 2HB LYS 57 1HB LYS 57 4.264 2.020 -11.144 409 1HG LYS 57 2HG LYS 57 5.677 3.567 -10.304 410 2HG LYS 57 1HG LYS 57 4.328 4.109 -9.305 411 1HD LYS 57 2HD LYS 57 5.050 2.211 -7.684 412 2HD LYS 57 1HD LYS 57 6.569 2.227 -8.579 413 1HE LYS 57 2HE LYS 57 5.814 4.936 -7.956 414 2HE LYS 57 1HE LYS 57 5.780 3.969 -6.482 415 1HZ LYS 57 1HZ LYS 57 7.979 4.956 -7.024 416 2HZ LYS 57 2HZ LYS 57 8.041 3.964 -8.402 417 3HZ LYS 57 3HZ LYS 57 8.003 3.270 -6.851 418 H PHE 58 H PHE 58 1.592 4.709 -9.349 419 HA PHE 58 HA PHE 58 1.010 5.225 -12.228 420 1HB PHE 58 2HB PHE 58 -0.559 6.940 -11.399 421 2HB PHE 58 1HB PHE 58 -0.914 5.367 -10.686 422 HD1 PHE 58 HD1 PHE 58 0.198 4.840 -8.390 423 HD2 PHE 58 HD2 PHE 58 -0.194 8.798 -10.012 424 HE1 PHE 58 HE1 PHE 58 0.495 5.799 -6.123 425 HE2 PHE 58 HE2 PHE 58 0.104 9.757 -7.745 426 HZ PHE 58 HZ PHE 58 0.448 8.258 -5.800 427 H LYS 59 H LYS 59 1.288 7.575 -12.895 428 HA LYS 59 HA LYS 59 3.119 9.246 -11.391 429 1HB LYS 59 2HB LYS 59 4.529 7.310 -12.447 430 2HB LYS 59 1HB LYS 59 4.285 8.189 -13.956 431 1HG LYS 59 2HG LYS 59 5.346 10.154 -13.088 432 2HG LYS 59 1HG LYS 59 5.343 9.508 -11.446 433 1HD LYS 59 2HD LYS 59 6.694 7.826 -13.480 434 2HD LYS 59 1HD LYS 59 7.490 9.354 -13.101 435 1HE LYS 59 2HE LYS 59 6.675 7.214 -11.114 436 2HE LYS 59 1HE LYS 59 8.321 7.624 -11.594 437 1HZ LYS 59 1HZ LYS 59 6.852 8.747 -9.545 438 2HZ LYS 59 2HZ LYS 59 6.922 9.938 -10.754 439 3HZ LYS 59 3HZ LYS 59 8.355 9.270 -10.133 440 H THR 60 H THR 60 1.584 10.871 -11.862 441 HA THR 60 HA THR 60 1.531 11.718 -14.730 442 HB THR 60 HB THR 60 -0.692 11.247 -14.625 443 HG1 THR 60 HG1 THR 60 -0.777 13.474 -14.529 444 1HG2 THR 60 1HG2 THR 60 -0.757 9.892 -12.725 445 2HG2 THR 60 2HG2 THR 60 -1.845 11.203 -12.269 446 3HG2 THR 60 3HG2 THR 60 -0.189 11.183 -11.665 447 H TYR 61 H TYR 61 2.013 13.864 -15.062 448 HA TYR 61 HA TYR 61 1.828 15.774 -12.817 449 1HB TYR 61 2HB TYR 61 4.097 14.686 -12.655 450 2HB TYR 61 1HB TYR 61 4.458 15.327 -14.259 451 HD1 TYR 61 HD1 TYR 61 4.283 16.051 -10.725 452 HD2 TYR 61 HD2 TYR 61 4.325 17.847 -14.625 453 HE1 TYR 61 HE1 TYR 61 4.908 18.228 -9.715 454 HE2 TYR 61 HE2 TYR 61 4.951 20.025 -13.616 455 HH TYR 61 HH TYR 61 4.509 20.940 -10.805 456 H GLY 62 H GLY 62 1.468 17.859 -13.564 457 1HA GLY 62 2HA GLY 62 2.227 19.282 -15.702 458 2HA GLY 62 1HA GLY 62 1.131 18.146 -16.492 459 H CYS 63 H CYS 63 -0.872 17.915 -14.570 460 HA CYS 63 HA CYS 63 -1.903 20.721 -14.408 461 1HB CYS 63 2HB CYS 63 -3.333 19.748 -15.970 462 2HB CYS 63 1HB CYS 63 -3.223 18.152 -15.227 463 HG CYS 63 HG CYS 63 -4.947 20.497 -14.090 464 H GLY 64 H GLY 64 -2.249 21.380 -12.343 465 1HA GLY 64 2HA GLY 64 -1.894 19.622 -10.098 466 2HA GLY 64 1HA GLY 64 -2.507 21.274 -10.011 467 H SER 65 H SER 65 -3.597 18.040 -11.109 468 HA SER 65 HA SER 65 -5.921 18.069 -9.427 469 1HB SER 65 2HB SER 65 -6.283 19.779 -11.502 470 2HB SER 65 1HB SER 65 -6.836 18.280 -12.242 471 HG SER 65 HG SER 65 -8.538 18.346 -11.016 472 H ALA 66 H ALA 66 -4.790 16.967 -12.638 473 HA ALA 66 HA ALA 66 -6.159 14.519 -12.753 474 1HB ALA 66 1HB ALA 66 -3.277 14.818 -13.617 475 2HB ALA 66 2HB ALA 66 -4.602 15.568 -14.508 476 3HB ALA 66 3HB ALA 66 -4.533 13.813 -14.342 477 H ILE 67 H ILE 67 -4.140 15.486 -10.304 478 HA ILE 67 HA ILE 67 -2.861 12.897 -9.785 479 HB ILE 67 HB ILE 67 -3.136 15.162 -7.805 480 1HG1 ILE 67 2HG1 ILE 67 -2.361 15.952 -10.119 481 2HG1 ILE 67 1HG1 ILE 67 -1.260 16.276 -8.780 482 1HG2 ILE 67 1HG2 ILE 67 -2.142 13.156 -6.914 483 2HG2 ILE 67 2HG2 ILE 67 -0.834 14.305 -7.192 484 3HG2 ILE 67 3HG2 ILE 67 -1.099 12.981 -8.325 485 1HD1 ILE 67 1HD1 ILE 67 -0.121 15.329 -10.812 486 2HD1 ILE 67 2HD1 ILE 67 -1.054 13.851 -10.585 487 3HD1 ILE 67 3HD1 ILE 67 0.104 14.358 -9.356 488 H ALA 68 H ALA 68 -5.928 14.261 -9.260 489 HA ALA 68 HA ALA 68 -6.510 12.828 -6.774 490 1HB ALA 68 1HB ALA 68 -8.856 13.591 -7.228 491 2HB ALA 68 2HB ALA 68 -8.293 14.285 -8.747 492 3HB ALA 68 3HB ALA 68 -7.686 14.910 -7.214 493 H SER 69 H SER 69 -7.481 12.489 -10.201 494 HA SER 69 HA SER 69 -9.013 10.103 -9.818 495 1HB SER 69 2HB SER 69 -8.417 11.772 -11.961 496 2HB SER 69 1HB SER 69 -7.647 10.250 -12.401 497 HG SER 69 HG SER 69 -9.936 9.557 -11.423 498 H SER 70 H SER 70 -5.579 10.617 -10.596 499 HA SER 70 HA SER 70 -4.841 7.941 -11.102 500 1HB SER 70 2HB SER 70 -3.457 10.224 -11.070 501 2HB SER 70 1HB SER 70 -3.003 9.643 -9.470 502 HG SER 70 HG SER 70 -1.903 8.945 -11.674 503 H SER 71 H SER 71 -4.966 9.668 -7.974 504 HA SER 71 HA SER 71 -4.104 7.457 -6.384 505 1HB SER 71 2HB SER 71 -5.615 8.777 -4.621 506 2HB SER 71 1HB SER 71 -4.060 9.408 -5.156 507 HG SER 71 HG SER 71 -6.078 10.048 -6.861 508 H LEU 72 H LEU 72 -7.366 8.523 -7.353 509 HA LEU 72 HA LEU 72 -8.804 6.568 -5.852 510 1HB LEU 72 2HB LEU 72 -9.787 8.583 -7.030 511 2HB LEU 72 1HB LEU 72 -9.616 7.694 -8.544 512 HG LEU 72 HG LEU 72 -10.852 5.831 -6.956 513 1HD1 LEU 72 1HD1 LEU 72 -11.212 7.347 -5.110 514 2HD1 LEU 72 2HD1 LEU 72 -12.765 7.107 -5.911 515 3HD1 LEU 72 3HD1 LEU 72 -11.849 8.589 -6.188 516 1HD2 LEU 72 1HD2 LEU 72 -11.402 6.617 -9.302 517 2HD2 LEU 72 2HD2 LEU 72 -12.308 7.943 -8.573 518 3HD2 LEU 72 3HD2 LEU 72 -12.810 6.276 -8.297 519 H ILE 73 H ILE 73 -8.324 6.501 -9.400 520 HA ILE 73 HA ILE 73 -9.007 3.838 -9.836 521 HB ILE 73 HB ILE 73 -8.464 5.441 -11.644 522 1HG1 ILE 73 2HG1 ILE 73 -6.649 3.018 -11.786 523 2HG1 ILE 73 1HG1 ILE 73 -8.401 2.923 -11.971 524 1HG2 ILE 73 1HG2 ILE 73 -6.334 6.193 -10.309 525 2HG2 ILE 73 2HG2 ILE 73 -6.292 6.198 -12.072 526 3HG2 ILE 73 3HG2 ILE 73 -5.548 4.873 -11.176 527 1HD1 ILE 73 1HD1 ILE 73 -7.542 3.095 -14.188 528 2HD1 ILE 73 2HD1 ILE 73 -6.425 4.382 -13.734 529 3HD1 ILE 73 3HD1 ILE 73 -8.159 4.700 -13.797 530 H THR 74 H THR 74 -5.740 5.074 -9.063 531 HA THR 74 HA THR 74 -4.334 2.657 -9.067 532 HB THR 74 HB THR 74 -2.978 3.757 -7.157 533 HG1 THR 74 HG1 THR 74 -3.779 5.503 -6.342 534 1HG2 THR 74 1HG2 THR 74 -2.570 5.800 -8.914 535 2HG2 THR 74 2HG2 THR 74 -3.407 4.640 -9.946 536 3HG2 THR 74 3HG2 THR 74 -1.915 4.177 -9.126 537 H GLU 75 H GLU 75 -6.210 4.060 -6.362 538 HA GLU 75 HA GLU 75 -5.735 1.712 -4.688 539 1HB GLU 75 2HB GLU 75 -7.452 4.181 -4.423 540 2HB GLU 75 1HB GLU 75 -7.553 2.860 -3.259 541 1HG GLU 75 2HG GLU 75 -4.785 3.446 -3.718 542 2HG GLU 75 1HG GLU 75 -5.623 4.957 -3.362 543 H TRP 76 H TRP 76 -7.737 2.291 -7.308 544 HA TRP 76 HA TRP 76 -9.895 0.520 -6.274 545 1HB TRP 76 2HB TRP 76 -9.814 2.732 -8.118 546 2HB TRP 76 1HB TRP 76 -10.425 1.304 -8.953 547 HD1 TRP 76 HD1 TRP 76 -10.953 2.375 -5.277 548 HE1 TRP 76 HE1 TRP 76 -13.490 2.491 -4.829 549 HE3 TRP 76 HE3 TRP 76 -12.723 1.336 -9.953 550 HZ2 TRP 76 HZ2 TRP 76 -15.944 2.182 -6.265 551 HZ3 TRP 76 HZ3 TRP 76 -15.162 1.254 -10.385 552 HH2 TRP 76 HH2 TRP 76 -16.774 1.675 -8.548 553 H VAL 77 H VAL 77 -6.997 0.306 -7.932 554 HA VAL 77 HA VAL 77 -7.911 -2.079 -9.483 555 HB VAL 77 HB VAL 77 -5.729 -1.827 -10.688 556 1HG1 VAL 77 1HG1 VAL 77 -6.396 0.180 -11.954 557 2HG1 VAL 77 2HG1 VAL 77 -7.484 0.648 -10.646 558 3HG1 VAL 77 3HG1 VAL 77 -7.801 -0.817 -11.577 559 1HG2 VAL 77 1HG2 VAL 77 -4.374 0.136 -10.325 560 2HG2 VAL 77 2HG2 VAL 77 -4.624 -0.621 -8.753 561 3HG2 VAL 77 3HG2 VAL 77 -5.554 0.808 -9.201 562 H LYS 78 H LYS 78 -6.436 -1.212 -6.610 563 HA LYS 78 HA LYS 78 -4.456 -3.366 -6.514 564 1HB LYS 78 2HB LYS 78 -4.328 -1.148 -5.242 565 2HB LYS 78 1HB LYS 78 -5.560 -1.809 -4.168 566 1HG LYS 78 2HG LYS 78 -4.034 -3.819 -3.844 567 2HG LYS 78 1HG LYS 78 -2.782 -2.895 -4.676 568 1HD LYS 78 2HD LYS 78 -4.267 -1.745 -2.315 569 2HD LYS 78 1HD LYS 78 -2.837 -2.755 -2.096 570 1HE LYS 78 2HE LYS 78 -1.478 -1.043 -2.636 571 2HE LYS 78 1HE LYS 78 -2.348 -0.772 -4.145 572 1HZ LYS 78 1HZ LYS 78 -2.909 0.364 -1.475 573 2HZ LYS 78 2HZ LYS 78 -4.083 0.352 -2.702 574 3HZ LYS 78 3HZ LYS 78 -2.621 1.185 -2.931 575 H GLY 79 H GLY 79 -5.144 -5.445 -6.332 576 1HA GLY 79 2HA GLY 79 -6.105 -7.219 -4.999 577 2HA GLY 79 1HA GLY 79 -7.238 -6.053 -4.314 578 H LYS 80 H LYS 80 -7.304 -5.256 -7.450 579 HA LYS 80 HA LYS 80 -9.729 -6.884 -7.915 580 1HB LYS 80 2HB LYS 80 -8.535 -4.465 -9.277 581 2HB LYS 80 1HB LYS 80 -9.886 -5.358 -9.979 582 1HG LYS 80 2HG LYS 80 -10.214 -4.718 -7.120 583 2HG LYS 80 1HG LYS 80 -10.161 -3.309 -8.179 584 1HD LYS 80 2HD LYS 80 -11.892 -4.418 -9.628 585 2HD LYS 80 1HD LYS 80 -12.025 -5.686 -8.408 586 1HE LYS 80 2HE LYS 80 -12.457 -3.779 -6.729 587 2HE LYS 80 1HE LYS 80 -12.719 -2.760 -8.143 588 1HZ LYS 80 1HZ LYS 80 -14.102 -5.262 -8.304 589 2HZ LYS 80 2HZ LYS 80 -14.690 -3.683 -8.518 590 3HZ LYS 80 3HZ LYS 80 -14.580 -4.348 -6.958 591 H SER 81 H SER 81 -10.026 -7.806 -10.164 592 HA SER 81 HA SER 81 -7.496 -9.138 -10.987 593 1HB SER 81 2HB SER 81 -10.415 -9.812 -11.357 594 2HB SER 81 1HB SER 81 -9.158 -10.615 -12.294 595 HG SER 81 HG SER 81 -9.269 -10.450 -9.458 596 H LEU 82 H LEU 82 -7.301 -9.531 -13.413 597 HA LEU 82 HA LEU 82 -7.320 -7.038 -14.811 598 1HB LEU 82 2HB LEU 82 -6.811 -9.892 -15.534 599 2HB LEU 82 1HB LEU 82 -7.110 -8.757 -16.849 600 HG LEU 82 HG LEU 82 -5.248 -7.772 -14.780 601 1HD1 LEU 82 1HD1 LEU 82 -4.491 -10.073 -16.607 602 2HD1 LEU 82 2HD1 LEU 82 -4.576 -10.138 -14.846 603 3HD1 LEU 82 3HD1 LEU 82 -3.361 -9.132 -15.634 604 1HD2 LEU 82 1HD2 LEU 82 -4.153 -6.833 -16.674 605 2HD2 LEU 82 2HD2 LEU 82 -5.872 -6.748 -17.060 606 3HD2 LEU 82 3HD2 LEU 82 -4.871 -8.014 -17.770 607 H GLU 83 H GLU 83 -9.737 -9.507 -14.418 608 HA GLU 83 HA GLU 83 -11.324 -9.035 -16.729 609 1HB GLU 83 2HB GLU 83 -11.658 -10.892 -15.060 610 2HB GLU 83 1HB GLU 83 -12.345 -9.703 -13.952 611 1HG GLU 83 2HG GLU 83 -13.730 -9.194 -16.281 612 2HG GLU 83 1HG GLU 83 -13.537 -10.947 -16.334 613 H GLU 84 H GLU 84 -11.380 -7.457 -13.527 614 HA GLU 84 HA GLU 84 -13.488 -5.607 -14.333 615 1HB GLU 84 2HB GLU 84 -11.595 -5.370 -11.976 616 2HB GLU 84 1HB GLU 84 -13.167 -4.593 -12.162 617 1HG GLU 84 2HG GLU 84 -12.955 -7.590 -12.292 618 2HG GLU 84 1HG GLU 84 -12.991 -6.777 -10.727 619 H ALA 85 H ALA 85 -10.041 -5.109 -13.449 620 HA ALA 85 HA ALA 85 -9.754 -2.456 -14.207 621 1HB ALA 85 1HB ALA 85 -7.622 -2.974 -13.698 622 2HB ALA 85 2HB ALA 85 -7.471 -3.817 -15.240 623 3HB ALA 85 3HB ALA 85 -8.000 -4.692 -13.803 624 H GLY 86 H GLY 86 -10.247 -5.228 -16.269 625 1HA GLY 86 2HA GLY 86 -9.722 -3.575 -18.687 626 2HA GLY 86 1HA GLY 86 -9.914 -5.329 -18.674 627 H ALA 87 H ALA 87 -11.979 -2.819 -17.207 628 HA ALA 87 HA ALA 87 -14.063 -3.171 -19.222 629 1HB ALA 87 1HB ALA 87 -15.695 -3.940 -17.316 630 2HB ALA 87 2HB ALA 87 -14.223 -4.530 -16.543 631 3HB ALA 87 3HB ALA 87 -14.694 -5.144 -18.128 632 H ILE 88 H ILE 88 -13.119 -2.016 -16.014 633 HA ILE 88 HA ILE 88 -15.100 -0.222 -15.352 634 HB ILE 88 HB ILE 88 -13.180 1.320 -14.594 635 1HG1 ILE 88 2HG1 ILE 88 -11.629 -1.000 -15.776 636 2HG1 ILE 88 1HG1 ILE 88 -11.515 0.697 -16.240 637 1HG2 ILE 88 1HG2 ILE 88 -13.085 0.084 -12.687 638 2HG2 ILE 88 2HG2 ILE 88 -12.507 -1.347 -13.537 639 3HG2 ILE 88 3HG2 ILE 88 -14.230 -0.976 -13.509 640 1HD1 ILE 88 1HD1 ILE 88 -10.788 -0.439 -13.523 641 2HD1 ILE 88 2HD1 ILE 88 -10.683 1.260 -13.983 642 3HD1 ILE 88 3HD1 ILE 88 -9.642 0.069 -14.764 643 H LYS 89 H LYS 89 -15.068 2.245 -15.703 644 HA LYS 89 HA LYS 89 -14.227 2.937 -18.477 645 1HB LYS 89 2HB LYS 89 -16.960 3.525 -17.296 646 2HB LYS 89 1HB LYS 89 -16.396 4.005 -18.897 647 1HG LYS 89 2HG LYS 89 -15.944 1.464 -19.247 648 2HG LYS 89 1HG LYS 89 -17.030 1.244 -17.874 649 1HD LYS 89 2HD LYS 89 -18.582 2.898 -19.228 650 2HD LYS 89 1HD LYS 89 -17.625 2.342 -20.601 651 1HE LYS 89 2HE LYS 89 -19.283 0.731 -20.612 652 2HE LYS 89 1HE LYS 89 -18.127 -0.043 -19.529 653 1HZ LYS 89 1HZ LYS 89 -20.505 1.555 -18.756 654 2HZ LYS 89 2HZ LYS 89 -19.329 1.009 -17.657 655 3HZ LYS 89 3HZ LYS 89 -20.273 -0.109 -18.522 656 H ASN 90 H ASN 90 -13.945 5.246 -18.792 657 HA ASN 90 HA ASN 90 -12.957 6.594 -16.419 658 1HB ASN 90 2HB ASN 90 -12.501 8.470 -17.971 659 2HB ASN 90 1HB ASN 90 -11.906 6.940 -18.618 660 1HD2 ASN 90 1HD2 ASN 90 -13.332 9.641 -19.716 661 2HD2 ASN 90 2HD2 ASN 90 -14.344 9.004 -20.920 662 H SER 91 H SER 91 -15.675 7.252 -18.659 663 HA SER 91 HA SER 91 -16.819 9.505 -17.661 664 1HB SER 91 2HB SER 91 -17.808 7.738 -19.309 665 2HB SER 91 1HB SER 91 -18.574 7.067 -17.873 666 HG SER 91 HG SER 91 -19.330 9.283 -17.497 667 H GLN 92 H GLN 92 -17.079 6.314 -16.077 668 HA GLN 92 HA GLN 92 -18.631 7.217 -13.852 669 1HB GLN 92 2HB GLN 92 -16.682 4.912 -14.127 670 2HB GLN 92 1HB GLN 92 -17.705 5.163 -12.711 671 1HG GLN 92 2HG GLN 92 -19.658 5.275 -14.428 672 2HG GLN 92 1HG GLN 92 -18.525 4.492 -15.530 673 1HE2 GLN 92 1HE2 GLN 92 -17.305 2.527 -14.318 674 2HE2 GLN 92 2HE2 GLN 92 -18.337 1.493 -13.451 675 H ILE 93 H ILE 93 -15.098 6.758 -14.191 676 HA ILE 93 HA ILE 93 -14.361 7.647 -11.611 677 HB ILE 93 HB ILE 93 -13.006 7.613 -14.286 678 1HG1 ILE 93 2HG1 ILE 93 -11.910 6.571 -11.695 679 2HG1 ILE 93 1HG1 ILE 93 -13.253 5.716 -12.453 680 1HG2 ILE 93 1HG2 ILE 93 -12.191 9.701 -13.437 681 2HG2 ILE 93 2HG2 ILE 93 -10.946 8.505 -13.081 682 3HG2 ILE 93 3HG2 ILE 93 -12.034 9.051 -11.805 683 1HD1 ILE 93 1HD1 ILE 93 -10.783 6.475 -14.014 684 2HD1 ILE 93 2HD1 ILE 93 -12.008 5.273 -14.422 685 3HD1 ILE 93 3HD1 ILE 93 -10.875 4.966 -13.106 686 H ALA 94 H ALA 94 -15.174 9.485 -14.523 687 HA ALA 94 HA ALA 94 -14.402 12.052 -13.412 688 1HB ALA 94 1HB ALA 94 -14.521 12.251 -15.700 689 2HB ALA 94 2HB ALA 94 -16.172 12.742 -15.322 690 3HB ALA 94 3HB ALA 94 -15.840 11.088 -15.835 691 H GLU 95 H GLU 95 -17.219 10.019 -13.201 692 HA GLU 95 HA GLU 95 -18.980 12.171 -12.272 693 1HB GLU 95 2HB GLU 95 -19.736 10.051 -13.484 694 2HB GLU 95 1HB GLU 95 -19.426 9.193 -11.975 695 1HG GLU 95 2HG GLU 95 -21.612 9.734 -11.561 696 2HG GLU 95 1HG GLU 95 -20.895 11.254 -11.026 697 H GLU 96 H GLU 96 -17.338 9.368 -10.780 698 HA GLU 96 HA GLU 96 -18.205 9.897 -8.112 699 1HB GLU 96 2HB GLU 96 -16.937 7.832 -9.150 700 2HB GLU 96 1HB GLU 96 -15.496 8.729 -8.671 701 1HG GLU 96 2HG GLU 96 -16.727 8.975 -6.374 702 2HG GLU 96 1HG GLU 96 -17.679 7.602 -6.938 703 H LEU 97 H LEU 97 -15.634 11.254 -10.072 704 HA LEU 97 HA LEU 97 -14.582 12.742 -7.725 705 1HB LEU 97 2HB LEU 97 -13.458 11.755 -10.198 706 2HB LEU 97 1HB LEU 97 -13.200 13.496 -10.077 707 HG LEU 97 HG LEU 97 -12.294 13.165 -7.776 708 1HD1 LEU 97 1HD1 LEU 97 -11.874 10.277 -8.198 709 2HD1 LEU 97 2HD1 LEU 97 -13.555 10.727 -7.910 710 3HD1 LEU 97 3HD1 LEU 97 -12.315 11.149 -6.727 711 1HD2 LEU 97 1HD2 LEU 97 -10.183 11.975 -8.540 712 2HD2 LEU 97 2HD2 LEU 97 -10.693 13.313 -9.568 713 3HD2 LEU 97 3HD2 LEU 97 -11.008 11.650 -10.065 714 H GLU 98 H GLU 98 -16.391 13.184 -10.698 715 HA GLU 98 HA GLU 98 -17.592 15.046 -11.472 716 1HB GLU 98 2HB GLU 98 -17.659 15.204 -8.667 717 2HB GLU 98 1HB GLU 98 -17.186 16.816 -9.205 718 1HG GLU 98 2HG GLU 98 -19.111 16.636 -10.899 719 2HG GLU 98 1HG GLU 98 -19.662 15.255 -9.949 720 H LEU 99 H LEU 99 -14.366 15.032 -10.705 721 HA LEU 99 HA LEU 99 -13.259 17.508 -10.779 722 1HB LEU 99 2HB LEU 99 -11.473 16.651 -12.196 723 2HB LEU 99 1HB LEU 99 -12.004 15.363 -11.113 724 HG LEU 99 HG LEU 99 -13.694 15.091 -13.297 725 1HD1 LEU 99 1HD1 LEU 99 -12.012 14.953 -15.202 726 2HD1 LEU 99 2HD1 LEU 99 -10.911 15.887 -14.188 727 3HD1 LEU 99 3HD1 LEU 99 -12.447 16.586 -14.698 728 1HD2 LEU 99 1HD2 LEU 99 -11.975 13.184 -13.844 729 2HD2 LEU 99 2HD2 LEU 99 -12.839 13.146 -12.308 730 3HD2 LEU 99 3HD2 LEU 99 -11.176 13.728 -12.371 731 HA PRO 100 HA PRO 100 -14.798 20.181 -13.914 732 1HB PRO 100 2HB PRO 100 -11.962 20.231 -14.887 733 2HB PRO 100 1HB PRO 100 -13.071 21.583 -14.582 734 1HG PRO 100 2HG PRO 100 -11.128 20.907 -12.861 735 2HG PRO 100 1HG PRO 100 -12.680 21.575 -12.333 736 1HD PRO 100 2HD PRO 100 -11.637 18.836 -12.007 737 2HD PRO 100 1HD PRO 100 -12.959 19.646 -11.142 738 HA PRO 101 HA PRO 101 -14.914 16.990 -17.178 739 1HB PRO 101 2HB PRO 101 -17.425 17.535 -18.052 740 2HB PRO 101 1HB PRO 101 -17.112 16.599 -16.578 741 1HG PRO 101 2HG PRO 101 -17.945 19.430 -16.880 742 2HG PRO 101 1HG PRO 101 -18.397 18.243 -15.647 743 1HD PRO 101 2HD PRO 101 -16.491 20.245 -15.299 744 2HD PRO 101 1HD PRO 101 -16.605 18.770 -14.317 745 H VAL 102 H VAL 102 -14.408 20.202 -17.366 746 HA VAL 102 HA VAL 102 -15.282 21.013 -19.934 747 HB VAL 102 HB VAL 102 -13.110 22.441 -19.855 748 1HG1 VAL 102 1HG1 VAL 102 -14.191 23.538 -17.616 749 2HG1 VAL 102 2HG1 VAL 102 -15.515 22.489 -18.123 750 3HG1 VAL 102 3HG1 VAL 102 -14.895 23.721 -19.223 751 1HG2 VAL 102 1HG2 VAL 102 -13.037 21.832 -16.949 752 2HG2 VAL 102 2HG2 VAL 102 -11.721 22.265 -18.041 753 3HG2 VAL 102 3HG2 VAL 102 -12.331 20.610 -18.008 754 H LYS 103 H LYS 103 -13.024 18.591 -19.074 755 HA LYS 103 HA LYS 103 -12.420 18.143 -21.924 756 1HB LYS 103 2HB LYS 103 -10.383 19.000 -19.893 757 2HB LYS 103 1HB LYS 103 -9.908 17.860 -21.153 758 1HG LYS 103 2HG LYS 103 -10.958 19.513 -22.817 759 2HG LYS 103 1HG LYS 103 -10.968 20.670 -21.486 760 1HD LYS 103 2HD LYS 103 -8.552 20.452 -21.223 761 2HD LYS 103 1HD LYS 103 -8.503 19.199 -22.464 762 1HE LYS 103 2HE LYS 103 -9.686 21.883 -23.114 763 2HE LYS 103 1HE LYS 103 -7.935 21.678 -23.119 764 1HZ LYS 103 1HZ LYS 103 -8.267 20.974 -25.202 765 2HZ LYS 103 2HZ LYS 103 -9.918 20.658 -24.954 766 3HZ LYS 103 3HZ LYS 103 -8.752 19.517 -24.481 767 H VAL 104 H VAL 104 -11.976 17.132 -18.548 768 HA VAL 104 HA VAL 104 -12.029 14.985 -17.602 769 HB VAL 104 HB VAL 104 -12.979 13.982 -20.295 770 1HG1 VAL 104 1HG1 VAL 104 -13.113 13.067 -17.436 771 2HG1 VAL 104 2HG1 VAL 104 -12.680 12.149 -18.878 772 3HG1 VAL 104 3HG1 VAL 104 -14.365 12.565 -18.571 773 1HG2 VAL 104 1HG2 VAL 104 -15.055 14.896 -20.003 774 2HG2 VAL 104 2HG2 VAL 104 -14.183 16.092 -19.047 775 3HG2 VAL 104 3HG2 VAL 104 -14.985 14.741 -18.249 776 H HIS 105 H HIS 105 -9.951 15.992 -19.870 777 HA HIS 105 HA HIS 105 -8.660 13.835 -21.041 778 1HB HIS 105 2HB HIS 105 -6.538 15.120 -20.752 779 2HB HIS 105 1HB HIS 105 -7.864 16.123 -21.338 780 HD2 HIS 105 HD2 HIS 105 -5.202 16.658 -18.888 781 HE1 HIS 105 HE1 HIS 105 -8.566 18.336 -16.963 782 HE2 HIS 105 HE2 HIS 105 -6.034 18.195 -16.952 783 H CYS 106 H CYS 106 -8.981 14.489 -17.655 784 HA CYS 106 HA CYS 106 -6.728 12.858 -16.804 785 1HB CYS 106 2HB CYS 106 -9.094 13.330 -15.031 786 2HB CYS 106 1HB CYS 106 -7.376 13.379 -14.640 787 HG CYS 106 HG CYS 106 -7.404 15.809 -15.083 788 H SER 107 H SER 107 -10.159 12.269 -16.003 789 HA SER 107 HA SER 107 -10.014 9.556 -15.495 790 1HB SER 107 2HB SER 107 -12.267 10.700 -17.152 791 2HB SER 107 1HB SER 107 -12.345 9.414 -15.952 792 HG SER 107 HG SER 107 -12.536 12.089 -15.632 793 H ILE 108 H ILE 108 -10.172 11.113 -18.678 794 HA ILE 108 HA ILE 108 -10.466 8.782 -20.265 795 HB ILE 108 HB ILE 108 -9.226 11.482 -20.726 796 1HG1 ILE 108 2HG1 ILE 108 -11.375 10.086 -22.317 797 2HG1 ILE 108 1HG1 ILE 108 -11.757 10.858 -20.777 798 1HG2 ILE 108 1HG2 ILE 108 -8.917 10.746 -23.133 799 2HG2 ILE 108 2HG2 ILE 108 -9.124 9.085 -22.576 800 3HG2 ILE 108 3HG2 ILE 108 -7.766 10.047 -21.994 801 1HD1 ILE 108 1HD1 ILE 108 -10.667 12.140 -23.285 802 2HD1 ILE 108 2HD1 ILE 108 -10.577 12.939 -21.715 803 3HD1 ILE 108 3HD1 ILE 108 -12.147 12.538 -22.412 804 H LEU 109 H LEU 109 -7.457 10.456 -19.282 805 HA LEU 109 HA LEU 109 -5.660 8.552 -20.389 806 1HB LEU 109 2HB LEU 109 -5.525 10.735 -18.410 807 2HB LEU 109 1HB LEU 109 -4.330 9.459 -18.165 808 HG LEU 109 HG LEU 109 -3.523 9.696 -20.439 809 1HD1 LEU 109 1HD1 LEU 109 -5.288 10.187 -21.842 810 2HD1 LEU 109 2HD1 LEU 109 -4.616 11.807 -21.664 811 3HD1 LEU 109 3HD1 LEU 109 -6.014 11.322 -20.705 812 1HD2 LEU 109 1HD2 LEU 109 -3.769 12.573 -19.770 813 2HD2 LEU 109 2HD2 LEU 109 -2.322 11.598 -20.026 814 3HD2 LEU 109 3HD2 LEU 109 -3.155 11.549 -18.472 815 H ALA 110 H ALA 110 -7.661 8.431 -17.553 816 HA ALA 110 HA ALA 110 -6.191 6.438 -16.092 817 1HB ALA 110 1HB ALA 110 -7.839 6.773 -14.591 818 2HB ALA 110 2HB ALA 110 -9.056 6.199 -15.732 819 3HB ALA 110 3HB ALA 110 -8.575 7.895 -15.735 820 H GLU 111 H GLU 111 -9.256 5.997 -17.902 821 HA GLU 111 HA GLU 111 -9.053 3.160 -18.025 822 1HB GLU 111 2HB GLU 111 -11.178 4.155 -18.492 823 2HB GLU 111 1HB GLU 111 -10.500 5.164 -19.771 824 1HG GLU 111 2HG GLU 111 -11.747 3.197 -20.665 825 2HG GLU 111 1HG GLU 111 -10.048 3.193 -21.138 826 H ASP 112 H ASP 112 -7.920 5.679 -20.267 827 HA ASP 112 HA ASP 112 -7.045 3.901 -22.333 828 1HB ASP 112 2HB ASP 112 -6.890 6.714 -21.761 829 2HB ASP 112 1HB ASP 112 -5.290 6.143 -22.233 830 H ALA 113 H ALA 113 -5.653 4.848 -19.267 831 HA ALA 113 HA ALA 113 -2.970 3.918 -19.860 832 1HB ALA 113 1HB ALA 113 -2.583 4.149 -17.458 833 2HB ALA 113 2HB ALA 113 -4.318 4.265 -17.164 834 3HB ALA 113 3HB ALA 113 -3.484 5.548 -18.040 835 H ILE 114 H ILE 114 -5.379 2.575 -17.567 836 HA ILE 114 HA ILE 114 -4.244 0.098 -17.105 837 HB ILE 114 HB ILE 114 -6.595 1.143 -16.412 838 1HG1 ILE 114 2HG1 ILE 114 -7.303 -1.353 -15.934 839 2HG1 ILE 114 1HG1 ILE 114 -5.699 -1.721 -16.569 840 1HG2 ILE 114 1HG2 ILE 114 -7.445 -0.924 -18.447 841 2HG2 ILE 114 2HG2 ILE 114 -7.399 0.798 -18.824 842 3HG2 ILE 114 3HG2 ILE 114 -8.462 0.202 -17.550 843 1HD1 ILE 114 1HD1 ILE 114 -4.623 -0.417 -14.889 844 2HD1 ILE 114 2HD1 ILE 114 -5.853 -1.353 -14.039 845 3HD1 ILE 114 3HD1 ILE 114 -6.138 0.348 -14.410 846 H LYS 115 H LYS 115 -5.892 1.171 -20.029 847 HA LYS 115 HA LYS 115 -6.063 -1.416 -21.279 848 1HB LYS 115 2HB LYS 115 -6.838 1.213 -21.912 849 2HB LYS 115 1HB LYS 115 -5.702 0.749 -23.180 850 1HG LYS 115 2HG LYS 115 -7.753 -0.044 -24.006 851 2HG LYS 115 1HG LYS 115 -7.054 -1.477 -23.253 852 1HD LYS 115 2HD LYS 115 -8.319 -0.779 -21.128 853 2HD LYS 115 1HD LYS 115 -9.214 0.333 -22.164 854 1HE LYS 115 2HE LYS 115 -10.595 -1.462 -22.450 855 2HE LYS 115 1HE LYS 115 -9.385 -1.942 -23.640 856 1HZ LYS 115 1HZ LYS 115 -9.740 -2.902 -20.875 857 2HZ LYS 115 2HZ LYS 115 -8.230 -3.029 -21.643 858 3HZ LYS 115 3HZ LYS 115 -9.592 -3.802 -22.305 859 H ALA 116 H ALA 116 -3.965 1.260 -22.377 860 HA ALA 116 HA ALA 116 -2.148 -0.064 -23.908 861 1HB ALA 116 1HB ALA 116 -1.427 1.938 -21.745 862 2HB ALA 116 2HB ALA 116 -1.926 2.326 -23.391 863 3HB ALA 116 3HB ALA 116 -0.395 1.499 -23.107 864 H ALA 117 H ALA 117 -2.285 -0.210 -20.368 865 HA ALA 117 HA ALA 117 0.134 -1.662 -19.956 866 1HB ALA 117 1HB ALA 117 -0.651 -1.080 -17.897 867 2HB ALA 117 2HB ALA 117 -1.520 -2.613 -17.988 868 3HB ALA 117 3HB ALA 117 -2.333 -1.111 -18.429 869 H ILE 118 H ILE 118 -3.192 -3.002 -19.927 870 HA ILE 118 HA ILE 118 -2.543 -5.708 -20.023 871 HB ILE 118 HB ILE 118 -4.807 -4.238 -21.398 872 1HG1 ILE 118 2HG1 ILE 118 -4.968 -6.000 -18.959 873 2HG1 ILE 118 1HG1 ILE 118 -4.457 -4.319 -18.806 874 1HG2 ILE 118 1HG2 ILE 118 -5.731 -6.762 -21.033 875 2HG2 ILE 118 2HG2 ILE 118 -4.035 -7.103 -21.374 876 3HG2 ILE 118 3HG2 ILE 118 -5.007 -6.209 -22.543 877 1HD1 ILE 118 1HD1 ILE 118 -6.519 -3.495 -19.610 878 2HD1 ILE 118 2HD1 ILE 118 -6.983 -4.832 -18.558 879 3HD1 ILE 118 3HD1 ILE 118 -6.968 -5.051 -20.308 880 H ALA 119 H ALA 119 -2.204 -3.323 -22.545 881 HA ALA 119 HA ALA 119 -2.018 -5.142 -24.771 882 1HB ALA 119 1HB ALA 119 -1.683 -3.250 -25.976 883 2HB ALA 119 2HB ALA 119 -0.337 -2.740 -24.956 884 3HB ALA 119 3HB ALA 119 -1.996 -2.390 -24.468 885 H ASP 120 H ASP 120 0.576 -3.416 -22.991 886 HA ASP 120 HA ASP 120 2.712 -4.941 -24.115 887 1HB ASP 120 2HB ASP 120 2.417 -3.313 -21.590 888 2HB ASP 120 1HB ASP 120 3.907 -4.192 -21.934 889 H TYR 121 H TYR 121 0.751 -5.396 -21.189 890 HA TYR 121 HA TYR 121 2.135 -7.539 -20.008 891 1HB TYR 121 2HB TYR 121 0.019 -6.337 -19.175 892 2HB TYR 121 1HB TYR 121 -0.881 -7.445 -20.213 893 HD1 TYR 121 HD1 TYR 121 -0.995 -9.829 -19.723 894 HD2 TYR 121 HD2 TYR 121 1.271 -7.161 -17.233 895 HE1 TYR 121 HE1 TYR 121 -0.830 -11.591 -17.986 896 HE2 TYR 121 HE2 TYR 121 1.436 -8.924 -15.495 897 HH TYR 121 HH TYR 121 -0.470 -11.726 -15.535 898 H LYS 122 H LYS 122 -0.595 -7.810 -22.316 899 HA LYS 122 HA LYS 122 -0.443 -10.596 -22.721 900 1HB LYS 122 2HB LYS 122 -2.043 -8.652 -23.694 901 2HB LYS 122 1HB LYS 122 -1.019 -8.912 -25.106 902 1HG LYS 122 2HG LYS 122 -1.537 -11.303 -25.082 903 2HG LYS 122 1HG LYS 122 -2.497 -11.101 -23.616 904 1HD LYS 122 2HD LYS 122 -3.218 -9.325 -25.880 905 2HD LYS 122 1HD LYS 122 -3.569 -11.039 -26.108 906 1HE LYS 122 2HE LYS 122 -4.412 -9.435 -23.677 907 2HE LYS 122 1HE LYS 122 -5.462 -9.783 -25.051 908 1HZ LYS 122 1HZ LYS 122 -4.741 -11.458 -22.866 909 2HZ LYS 122 2HZ LYS 122 -4.372 -12.200 -24.348 910 3HZ LYS 122 3HZ LYS 122 -5.956 -11.673 -24.030 911 H ALA 123 H ALA 123 1.202 -7.991 -24.535 912 HA ALA 123 HA ALA 123 2.547 -9.445 -26.468 913 1HB ALA 123 1HB ALA 123 4.285 -7.551 -25.000 914 2HB ALA 123 2HB ALA 123 2.742 -6.889 -25.541 915 3HB ALA 123 3HB ALA 123 3.858 -7.593 -26.711 916 H LYS 124 H LYS 124 2.955 -9.662 -23.036 917 HA LYS 124 HA LYS 124 5.497 -11.172 -23.352 918 1HB LYS 124 2HB LYS 124 4.028 -10.028 -20.975 919 2HB LYS 124 1HB LYS 124 5.335 -11.195 -20.774 920 1HG LYS 124 2HG LYS 124 5.678 -8.704 -22.445 921 2HG LYS 124 1HG LYS 124 5.986 -8.707 -20.709 922 1HD LYS 124 2HD LYS 124 7.450 -10.815 -21.238 923 2HD LYS 124 1HD LYS 124 7.439 -10.185 -22.886 924 1HE LYS 124 2HE LYS 124 8.449 -8.127 -22.208 925 2HE LYS 124 1HE LYS 124 8.189 -8.484 -20.501 926 1HZ LYS 124 1HZ LYS 124 10.279 -9.237 -20.591 927 2HZ LYS 124 2HZ LYS 124 10.271 -9.397 -22.283 928 3HZ LYS 124 3HZ LYS 124 9.601 -10.617 -21.308 929 H GLN 125 H GLN 125 2.263 -11.556 -21.872 930 HA GLN 125 HA GLN 125 2.643 -14.513 -22.150 931 1HB GLN 125 2HB GLN 125 2.507 -13.634 -19.782 932 2HB GLN 125 1HB GLN 125 0.863 -13.105 -20.142 933 1HG GLN 125 2HG GLN 125 0.034 -15.217 -20.048 934 2HG GLN 125 1HG GLN 125 1.418 -15.894 -20.908 935 1HE2 GLN 125 1HE2 GLN 125 2.613 -17.290 -19.618 936 2HE2 GLN 125 2HE2 GLN 125 2.805 -17.147 -17.937 937 H GLY 126 H GLY 126 1.757 -13.849 -24.403 938 1HA GLY 126 2HA GLY 126 -1.175 -13.392 -24.380 939 2HA GLY 126 1HA GLY 126 -0.137 -13.334 -25.806 940 H LEU 127 H LEU 127 0.375 -15.279 -26.880 941 HA LEU 127 HA LEU 127 -1.190 -17.656 -25.953 942 1HB LEU 127 2HB LEU 127 -0.305 -17.067 -28.790 943 2HB LEU 127 1HB LEU 127 -1.459 -18.289 -28.258 944 HG LEU 127 HG LEU 127 -1.967 -15.399 -27.615 945 1HD1 LEU 127 1HD1 LEU 127 -2.351 -16.785 -30.271 946 2HD1 LEU 127 2HD1 LEU 127 -1.613 -15.215 -29.953 947 3HD1 LEU 127 3HD1 LEU 127 -3.357 -15.421 -29.786 948 1HD2 LEU 127 1HD2 LEU 127 -3.709 -17.820 -28.184 949 2HD2 LEU 127 2HD2 LEU 127 -4.323 -16.209 -27.810 950 3HD2 LEU 127 3HD2 LEU 127 -3.400 -17.104 -26.603 951 H GLU 128 H GLU 128 1.925 -16.407 -26.682 952 HA GLU 128 HA GLU 128 4.048 -17.400 -26.656 953 1HB GLU 128 2HB GLU 128 2.351 -19.113 -24.914 954 2HB GLU 128 1HB GLU 128 3.885 -19.805 -25.443 955 1HG GLU 128 2HG GLU 128 5.139 -18.282 -24.269 956 2HG GLU 128 1HG GLU 128 3.957 -16.991 -24.479 957 H HIS 129 H HIS 129 5.185 -19.595 -27.315 958 HA HIS 129 HA HIS 129 5.533 -21.207 -28.985 959 1HB HIS 129 2HB HIS 129 2.748 -21.442 -28.246 960 2HB HIS 129 1HB HIS 129 2.933 -21.722 -29.977 961 HD2 HIS 129 HD2 HIS 129 2.532 -24.559 -29.417 962 HE1 HIS 129 HE1 HIS 129 6.323 -25.055 -27.623 963 HE2 HIS 129 HE2 HIS 129 4.304 -26.270 -28.559 964 H HIS 130 H HIS 130 5.168 -18.253 -29.524 965 HA HIS 130 HA HIS 130 5.123 -18.492 -32.459 966 1HB HIS 130 2HB HIS 130 2.736 -18.058 -31.760 967 2HB HIS 130 1HB HIS 130 3.278 -16.530 -31.067 968 HD2 HIS 130 HD2 HIS 130 3.786 -18.165 -34.684 969 HE1 HIS 130 HE1 HIS 130 2.943 -14.048 -35.104 970 HE2 HIS 130 HE2 HIS 130 3.451 -16.193 -36.359 971 H HIS 131 H HIS 131 7.141 -17.622 -32.766 972 HA HIS 131 HA HIS 131 7.632 -14.916 -31.591 973 1HB HIS 131 2HB HIS 131 9.014 -16.466 -30.353 974 2HB HIS 131 1HB HIS 131 9.571 -17.232 -31.842 975 HD2 HIS 131 HD2 HIS 131 10.921 -14.694 -29.463 976 HE1 HIS 131 HE1 HIS 131 12.491 -13.532 -33.208 977 HE2 HIS 131 HE2 HIS 131 12.677 -13.213 -30.698 978 H HIS 132 H HIS 132 7.789 -13.480 -33.237 979 HA HIS 132 HA HIS 132 8.411 -14.410 -35.955 980 1HB HIS 132 2HB HIS 132 6.674 -12.613 -35.326 981 2HB HIS 132 1HB HIS 132 8.052 -11.540 -35.086 982 HD2 HIS 132 HD2 HIS 132 8.104 -10.045 -37.421 983 HE1 HIS 132 HE1 HIS 132 7.678 -13.230 -40.161 984 HE2 HIS 132 HE2 HIS 132 8.056 -10.732 -39.937 985 H HIS 133 H HIS 133 10.247 -13.700 -37.163 986 HA HIS 133 HA HIS 133 12.739 -13.727 -35.979 987 1HB HIS 133 2HB HIS 133 11.669 -12.642 -38.514 988 2HB HIS 133 1HB HIS 133 13.214 -11.957 -38.008 989 HD2 HIS 133 HD2 HIS 133 12.373 -14.663 -40.270 990 HE1 HIS 133 HE1 HIS 133 15.481 -16.380 -37.983 991 HE2 HIS 133 HE2 HIS 133 14.111 -16.602 -40.106 992 H HIS 134 HN HIS 134 10.827 -10.778 -36.657 993 HA HIS 134 HA HIS 134 12.560 -9.361 -34.669 994 1HB HIS 134 2HB HIS 134 11.040 -7.551 -36.319 995 2HB HIS 134 1HB HIS 134 12.793 -7.700 -36.172 996 HD2 HIS 134 HD2 HIS 134 13.922 -8.481 -38.559 997 HE1 HIS 134 HE1 HIS 134 10.603 -10.540 -40.168 998 HE2 HIS 134 HE2 HIS 134 12.995 -9.815 -40.600 Start of MODEL 20 1 1H MET 1 1H MET 1 46.193 -2.890 -6.858 2 2H MET 1 2H MET 1 47.553 -2.671 -5.865 3 3H MET 1 3H MET 1 47.375 -1.749 -7.281 4 HA MET 1 HA MET 1 46.767 -0.279 -5.603 5 1HB MET 1 2HB MET 1 44.408 -1.652 -6.881 6 2HB MET 1 1HB MET 1 44.169 -0.297 -5.777 7 1HG MET 1 2HG MET 1 45.816 1.012 -7.195 8 2HG MET 1 1HG MET 1 45.738 -0.304 -8.366 9 1HE MET 1 1HE MET 1 44.097 2.519 -6.540 10 2HE MET 1 2HE MET 1 42.952 3.132 -7.731 11 3HE MET 1 3HE MET 1 44.670 3.083 -8.116 12 H ALA 2 H ALA 2 45.365 0.113 -3.634 13 HA ALA 2 HA ALA 2 45.937 -1.540 -1.501 14 1HB ALA 2 1HB ALA 2 43.631 -0.680 -0.568 15 2HB ALA 2 2HB ALA 2 43.615 0.288 -2.041 16 3HB ALA 2 3HB ALA 2 44.929 0.472 -0.880 17 H TYR 3 H TYR 3 42.610 -1.555 -2.807 18 HA TYR 3 HA TYR 3 41.989 -4.133 -1.760 19 1HB TYR 3 2HB TYR 3 40.726 -2.168 -3.503 20 2HB TYR 3 1HB TYR 3 40.391 -3.816 -4.036 21 HD1 TYR 3 HD1 TYR 3 39.706 -5.517 -2.155 22 HD2 TYR 3 HD2 TYR 3 39.463 -1.246 -1.759 23 HE1 TYR 3 HE1 TYR 3 38.066 -5.781 -0.315 24 HE2 TYR 3 HE2 TYR 3 37.823 -1.511 0.083 25 HH TYR 3 HH TYR 3 36.693 -4.740 1.085 26 H SER 4 H SER 4 42.677 -6.110 -2.438 27 HA SER 4 HA SER 4 43.697 -6.329 -5.245 28 1HB SER 4 2HB SER 4 44.634 -7.952 -2.867 29 2HB SER 4 1HB SER 4 45.350 -7.903 -4.475 30 HG SER 4 HG SER 4 46.500 -6.555 -3.087 31 H GLU 5 H GLU 5 41.361 -7.375 -3.040 32 HA GLU 5 HA GLU 5 41.084 -10.112 -3.980 33 1HB GLU 5 2HB GLU 5 40.251 -9.234 -1.754 34 2HB GLU 5 1HB GLU 5 38.970 -8.405 -2.641 35 1HG GLU 5 2HG GLU 5 39.491 -11.389 -2.777 36 2HG GLU 5 1HG GLU 5 38.255 -10.638 -1.767 37 H LYS 6 H LYS 6 40.750 -10.253 -6.191 38 HA LYS 6 HA LYS 6 38.165 -9.255 -7.192 39 1HB LYS 6 2HB LYS 6 40.310 -7.622 -7.594 40 2HB LYS 6 1HB LYS 6 40.410 -8.645 -9.026 41 1HG LYS 6 2HG LYS 6 37.922 -7.164 -8.121 42 2HG LYS 6 1HG LYS 6 38.995 -6.642 -9.420 43 1HD LYS 6 2HD LYS 6 38.574 -8.954 -10.466 44 2HD LYS 6 1HD LYS 6 37.236 -9.094 -9.326 45 1HE LYS 6 2HE LYS 6 36.621 -8.155 -11.611 46 2HE LYS 6 1HE LYS 6 36.144 -7.162 -10.233 47 1HZ LYS 6 1HZ LYS 6 37.469 -5.528 -10.894 48 2HZ LYS 6 2HZ LYS 6 37.658 -6.360 -12.363 49 3HZ LYS 6 3HZ LYS 6 38.791 -6.568 -11.113 50 H VAL 7 H VAL 7 38.698 -11.865 -6.772 51 HA VAL 7 HA VAL 7 39.565 -12.966 -9.409 52 HB VAL 7 HB VAL 7 40.730 -13.826 -7.376 53 1HG1 VAL 7 1HG1 VAL 7 39.544 -14.296 -5.522 54 2HG1 VAL 7 2HG1 VAL 7 38.652 -15.540 -6.396 55 3HG1 VAL 7 3HG1 VAL 7 38.057 -13.881 -6.374 56 1HG2 VAL 7 1HG2 VAL 7 38.937 -15.933 -8.615 57 2HG2 VAL 7 2HG2 VAL 7 40.569 -16.152 -7.983 58 3HG2 VAL 7 3HG2 VAL 7 40.313 -15.220 -9.458 59 H ILE 8 H ILE 8 38.231 -14.693 -10.337 60 HA ILE 8 HA ILE 8 35.348 -14.258 -9.741 61 HB ILE 8 HB ILE 8 36.806 -15.426 -12.124 62 1HG1 ILE 8 2HG1 ILE 8 34.800 -13.229 -12.296 63 2HG1 ILE 8 1HG1 ILE 8 36.343 -12.835 -11.535 64 1HG2 ILE 8 1HG2 ILE 8 33.852 -15.359 -11.465 65 2HG2 ILE 8 2HG2 ILE 8 34.833 -16.766 -11.875 66 3HG2 ILE 8 3HG2 ILE 8 34.461 -15.563 -13.108 67 1HD1 ILE 8 1HD1 ILE 8 36.442 -12.408 -13.958 68 2HD1 ILE 8 2HD1 ILE 8 35.993 -14.083 -14.278 69 3HD1 ILE 8 3HD1 ILE 8 37.538 -13.716 -13.512 70 H ASP 9 H ASP 9 33.975 -16.024 -9.279 71 HA ASP 9 HA ASP 9 35.390 -18.596 -8.692 72 1HB ASP 9 2HB ASP 9 33.216 -18.680 -7.052 73 2HB ASP 9 1HB ASP 9 34.795 -18.078 -6.549 74 H HIS 10 H HIS 10 31.925 -17.983 -8.460 75 HA HIS 10 HA HIS 10 31.225 -20.293 -9.971 76 1HB HIS 10 2HB HIS 10 29.605 -17.779 -9.457 77 2HB HIS 10 1HB HIS 10 28.948 -19.310 -10.036 78 HD2 HIS 10 HD2 HIS 10 30.078 -17.677 -6.687 79 HE1 HIS 10 HE1 HIS 10 29.044 -21.685 -5.847 80 HE2 HIS 10 HE2 HIS 10 29.650 -19.446 -4.819 81 H TYR 11 H TYR 11 29.534 -19.762 -11.960 82 HA TYR 11 HA TYR 11 31.203 -18.264 -13.938 83 1HB TYR 11 2HB TYR 11 29.301 -20.598 -14.247 84 2HB TYR 11 1HB TYR 11 29.900 -19.674 -15.624 85 HD1 TYR 11 HD1 TYR 11 32.085 -20.027 -16.486 86 HD2 TYR 11 HD2 TYR 11 30.972 -21.724 -12.700 87 HE1 TYR 11 HE1 TYR 11 34.183 -21.348 -16.461 88 HE2 TYR 11 HE2 TYR 11 33.070 -23.045 -12.676 89 HH TYR 11 HH TYR 11 34.728 -23.898 -14.877 90 H GLU 12 H GLU 12 28.258 -19.041 -15.268 91 HA GLU 12 HA GLU 12 27.015 -16.460 -14.420 92 1HB GLU 12 2HB GLU 12 26.400 -17.122 -17.176 93 2HB GLU 12 1HB GLU 12 27.093 -15.639 -16.519 94 1HG GLU 12 2HG GLU 12 28.674 -18.172 -17.044 95 2HG GLU 12 1HG GLU 12 28.609 -16.794 -18.144 96 H ASN 13 H ASN 13 24.642 -16.525 -15.618 97 HA ASN 13 HA ASN 13 23.501 -19.251 -15.347 98 1HB ASN 13 2HB ASN 13 21.671 -18.324 -13.889 99 2HB ASN 13 1HB ASN 13 23.254 -18.344 -13.110 100 1HD2 ASN 13 1HD2 ASN 13 24.486 -16.077 -14.160 101 2HD2 ASN 13 2HD2 ASN 13 23.603 -14.688 -13.746 102 HA PRO 14 HA PRO 14 22.068 -16.893 -19.111 103 1HB PRO 14 2HB PRO 14 21.477 -19.744 -19.777 104 2HB PRO 14 1HB PRO 14 22.214 -18.480 -20.780 105 1HG PRO 14 2HG PRO 14 23.662 -20.436 -19.671 106 2HG PRO 14 1HG PRO 14 24.296 -18.797 -19.892 107 1HD PRO 14 2HD PRO 14 23.457 -20.163 -17.386 108 2HD PRO 14 1HD PRO 14 24.625 -18.842 -17.618 109 H ARG 15 H ARG 15 19.838 -17.396 -20.323 110 HA ARG 15 HA ARG 15 17.518 -17.046 -19.949 111 1HB ARG 15 2HB ARG 15 18.211 -19.806 -18.955 112 2HB ARG 15 1HB ARG 15 16.543 -19.230 -18.931 113 1HG ARG 15 2HG ARG 15 16.332 -19.397 -21.182 114 2HG ARG 15 1HG ARG 15 17.932 -18.712 -21.469 115 1HD ARG 15 2HD ARG 15 17.799 -21.073 -22.221 116 2HD ARG 15 1HD ARG 15 18.976 -20.865 -20.925 117 HE ARG 15 HE ARG 15 16.643 -21.537 -19.592 118 1HH1 ARG 15 1HH2 ARG 15 18.499 -22.832 -22.193 119 2HH1 ARG 15 2HH2 ARG 15 18.076 -24.476 -21.853 120 1HH2 ARG 15 2HH1 ARG 15 16.081 -23.678 -19.132 121 2HH2 ARG 15 1HH1 ARG 15 16.707 -24.955 -20.120 122 H ASN 16 H ASN 16 17.318 -15.357 -18.442 123 HA ASN 16 HA ASN 16 17.201 -16.193 -15.571 124 1HB ASN 16 2HB ASN 16 18.868 -14.350 -16.412 125 2HB ASN 16 1HB ASN 16 17.431 -13.327 -16.455 126 1HD2 ASN 16 1HD2 ASN 16 19.952 -14.072 -14.459 127 2HD2 ASN 16 2HD2 ASN 16 19.209 -13.845 -12.950 128 H VAL 17 H VAL 17 15.210 -16.122 -14.644 129 HA VAL 17 HA VAL 17 13.096 -14.514 -16.027 130 HB VAL 17 HB VAL 17 12.638 -17.035 -14.411 131 1HG1 VAL 17 1HG1 VAL 17 10.943 -15.020 -15.553 132 2HG1 VAL 17 2HG1 VAL 17 10.476 -16.470 -14.664 133 3HG1 VAL 17 3HG1 VAL 17 10.675 -16.535 -16.415 134 1HG2 VAL 17 1HG2 VAL 17 14.060 -17.178 -16.636 135 2HG2 VAL 17 2HG2 VAL 17 12.493 -16.946 -17.411 136 3HG2 VAL 17 3HG2 VAL 17 12.756 -18.330 -16.349 137 H GLY 18 H GLY 18 12.209 -12.944 -14.767 138 1HA GLY 18 2HA GLY 18 11.809 -13.326 -11.902 139 2HA GLY 18 1HA GLY 18 13.073 -12.151 -12.268 140 H SER 19 H SER 19 10.315 -11.809 -11.087 141 HA SER 19 HA SER 19 8.696 -10.442 -13.054 142 1HB SER 19 2HB SER 19 8.019 -9.398 -10.551 143 2HB SER 19 1HB SER 19 7.253 -10.767 -11.351 144 HG SER 19 HG SER 19 9.097 -11.995 -10.393 145 H LEU 20 H LEU 20 8.067 -7.991 -12.008 146 HA LEU 20 HA LEU 20 8.787 -5.761 -11.969 147 1HB LEU 20 2HB LEU 20 10.897 -7.274 -10.540 148 2HB LEU 20 1HB LEU 20 11.378 -5.688 -11.145 149 HG LEU 20 HG LEU 20 8.758 -5.950 -9.713 150 1HD1 LEU 20 1HD1 LEU 20 10.607 -7.104 -8.368 151 2HD1 LEU 20 2HD1 LEU 20 9.773 -5.774 -7.562 152 3HD1 LEU 20 3HD1 LEU 20 11.373 -5.520 -8.258 153 1HD2 LEU 20 1HD2 LEU 20 9.044 -3.656 -9.329 154 2HD2 LEU 20 2HD2 LEU 20 9.802 -3.858 -10.910 155 3HD2 LEU 20 3HD2 LEU 20 10.801 -3.755 -9.460 156 H ASP 21 H ASP 21 10.972 -8.110 -13.454 157 HA ASP 21 HA ASP 21 12.237 -6.080 -15.147 158 1HB ASP 21 2HB ASP 21 13.257 -8.328 -14.299 159 2HB ASP 21 1HB ASP 21 12.371 -9.046 -15.645 160 H LYS 22 H LYS 22 12.180 -6.453 -17.598 161 HA LYS 22 HA LYS 22 9.358 -6.599 -18.417 162 1HB LYS 22 2HB LYS 22 10.675 -6.214 -20.739 163 2HB LYS 22 1HB LYS 22 10.311 -4.895 -19.626 164 1HG LYS 22 2HG LYS 22 12.498 -4.954 -18.680 165 2HG LYS 22 1HG LYS 22 12.862 -6.505 -19.436 166 1HD LYS 22 2HD LYS 22 12.621 -5.378 -21.680 167 2HD LYS 22 1HD LYS 22 12.499 -3.839 -20.827 168 1HE LYS 22 2HE LYS 22 14.786 -5.570 -20.066 169 2HE LYS 22 1HE LYS 22 14.854 -4.862 -21.680 170 1HZ LYS 22 1HZ LYS 22 14.098 -3.143 -19.432 171 2HZ LYS 22 2HZ LYS 22 14.934 -2.755 -20.859 172 3HZ LYS 22 3HZ LYS 22 15.731 -3.568 -19.598 173 H LYS 23 H LYS 23 10.987 -9.039 -17.573 174 HA LYS 23 HA LYS 23 10.643 -10.605 -20.102 175 1HB LYS 23 2HB LYS 23 12.943 -10.390 -18.703 176 2HB LYS 23 1HB LYS 23 12.214 -11.753 -17.853 177 1HG LYS 23 2HG LYS 23 11.739 -12.657 -20.270 178 2HG LYS 23 1HG LYS 23 13.021 -11.541 -20.740 179 1HD LYS 23 2HD LYS 23 14.583 -12.601 -19.219 180 2HD LYS 23 1HD LYS 23 13.306 -13.621 -18.556 181 1HE LYS 23 2HE LYS 23 13.767 -13.713 -21.506 182 2HE LYS 23 1HE LYS 23 14.941 -14.517 -20.463 183 1HZ LYS 23 1HZ LYS 23 13.477 -16.197 -20.591 184 2HZ LYS 23 2HZ LYS 23 12.172 -15.190 -21.002 185 3HZ LYS 23 3HZ LYS 23 12.653 -15.341 -19.380 186 H ASP 24 H ASP 24 8.687 -9.895 -17.852 187 HA ASP 24 HA ASP 24 7.910 -12.717 -17.233 188 1HB ASP 24 2HB ASP 24 8.499 -10.618 -15.408 189 2HB ASP 24 1HB ASP 24 6.755 -10.870 -15.352 190 H SER 25 H SER 25 5.500 -12.925 -16.870 191 HA SER 25 HA SER 25 4.077 -11.175 -18.820 192 1HB SER 25 2HB SER 25 3.046 -13.782 -17.702 193 2HB SER 25 1HB SER 25 2.576 -12.970 -19.193 194 HG SER 25 HG SER 25 3.973 -14.589 -19.755 195 H ASN 26 H ASN 26 4.526 -11.392 -15.554 196 HA ASN 26 HA ASN 26 1.709 -10.661 -14.905 197 1HB ASN 26 2HB ASN 26 3.226 -10.699 -12.539 198 2HB ASN 26 1HB ASN 26 2.110 -11.947 -13.096 199 1HD2 ASN 26 1HD2 ASN 26 3.346 -13.234 -15.122 200 2HD2 ASN 26 2HD2 ASN 26 4.871 -13.824 -14.670 201 H VAL 27 H VAL 27 4.179 -9.053 -16.083 202 HA VAL 27 HA VAL 27 3.844 -6.728 -14.227 203 HB VAL 27 HB VAL 27 6.218 -7.641 -15.856 204 1HG1 VAL 27 1HG1 VAL 27 6.263 -5.375 -16.397 205 2HG1 VAL 27 2HG1 VAL 27 7.176 -5.387 -14.887 206 3HG1 VAL 27 3HG1 VAL 27 5.482 -4.896 -14.890 207 1HG2 VAL 27 1HG2 VAL 27 6.279 -6.619 -13.038 208 2HG2 VAL 27 2HG2 VAL 27 7.291 -7.844 -13.804 209 3HG2 VAL 27 3HG2 VAL 27 5.636 -8.235 -13.334 210 H GLY 28 H GLY 28 2.399 -5.375 -15.196 211 1HA GLY 28 2HA GLY 28 2.461 -5.115 -18.161 212 2HA GLY 28 1HA GLY 28 1.127 -4.608 -17.122 213 H THR 29 H THR 29 2.779 -3.083 -19.138 214 HA THR 29 HA THR 29 3.391 -0.789 -17.344 215 HB THR 29 HB THR 29 5.207 -1.825 -19.544 216 HG1 THR 29 HG1 THR 29 5.207 -2.811 -17.377 217 1HG2 THR 29 1HG2 THR 29 4.963 0.787 -18.174 218 2HG2 THR 29 2HG2 THR 29 5.660 0.400 -19.747 219 3HG2 THR 29 3HG2 THR 29 6.598 0.134 -18.277 220 H GLY 30 H GLY 30 2.691 1.156 -18.204 221 1HA GLY 30 2HA GLY 30 2.064 1.285 -21.100 222 2HA GLY 30 1HA GLY 30 0.740 1.564 -19.971 223 H MET 31 H MET 31 1.962 3.455 -21.888 224 HA MET 31 HA MET 31 2.498 5.631 -19.943 225 1HB MET 31 2HB MET 31 4.370 4.645 -22.063 226 2HB MET 31 1HB MET 31 4.288 6.382 -21.768 227 1HG MET 31 2HG MET 31 4.568 5.781 -19.270 228 2HG MET 31 1HG MET 31 5.071 4.191 -19.845 229 1HE MET 31 1HE MET 31 7.136 4.066 -18.963 230 2HE MET 31 2HE MET 31 8.607 4.743 -19.658 231 3HE MET 31 3HE MET 31 7.585 3.688 -20.632 232 H VAL 32 H VAL 32 0.705 6.849 -20.432 233 HA VAL 32 HA VAL 32 0.174 7.397 -23.323 234 HB VAL 32 HB VAL 32 -2.060 8.298 -22.100 235 1HG1 VAL 32 1HG1 VAL 32 -2.277 6.755 -23.866 236 2HG1 VAL 32 2HG1 VAL 32 -2.922 5.871 -22.483 237 3HG1 VAL 32 3HG1 VAL 32 -1.285 5.544 -23.052 238 1HG2 VAL 32 1HG2 VAL 32 -1.521 5.832 -20.491 239 2HG2 VAL 32 2HG2 VAL 32 -2.580 7.196 -20.130 240 3HG2 VAL 32 3HG2 VAL 32 -0.835 7.356 -19.927 241 H GLY 33 H GLY 33 -1.152 9.694 -23.325 242 1HA GLY 33 2HA GLY 33 -0.386 11.744 -21.530 243 2HA GLY 33 1HA GLY 33 0.830 11.687 -22.808 244 H ALA 34 H ALA 34 -0.998 13.882 -22.364 245 HA ALA 34 HA ALA 34 -2.769 13.642 -24.756 246 1HB ALA 34 1HB ALA 34 -3.098 16.004 -23.023 247 2HB ALA 34 2HB ALA 34 -3.419 14.468 -22.218 248 3HB ALA 34 3HB ALA 34 -4.316 14.907 -23.671 249 HA PRO 35 HA PRO 35 0.040 16.462 -26.750 250 1HB PRO 35 2HB PRO 35 -1.544 17.193 -28.852 251 2HB PRO 35 1HB PRO 35 -0.741 15.615 -28.747 252 1HG PRO 35 2HG PRO 35 -3.571 16.340 -28.195 253 2HG PRO 35 1HG PRO 35 -2.903 14.886 -28.956 254 1HD PRO 35 2HD PRO 35 -3.752 14.978 -26.337 255 2HD PRO 35 1HD PRO 35 -2.521 13.845 -26.935 256 H ALA 36 H ALA 36 -2.593 17.402 -25.000 257 HA ALA 36 HA ALA 36 -3.064 20.082 -25.925 258 1HB ALA 36 1HB ALA 36 -3.616 18.537 -23.433 259 2HB ALA 36 2HB ALA 36 -4.724 19.454 -24.454 260 3HB ALA 36 3HB ALA 36 -3.669 20.295 -23.318 261 H CYS 37 H CYS 37 -1.608 19.412 -22.753 262 HA CYS 37 HA CYS 37 0.368 21.574 -23.341 263 1HB CYS 37 2HB CYS 37 -0.865 20.596 -20.758 264 2HB CYS 37 1HB CYS 37 0.558 21.638 -20.788 265 HG CYS 37 HG CYS 37 -1.362 23.036 -22.489 266 H GLY 38 H GLY 38 0.456 18.539 -23.858 267 1HA GLY 38 2HA GLY 38 2.194 16.957 -23.887 268 2HA GLY 38 1HA GLY 38 3.244 18.192 -23.188 269 H ASP 39 H ASP 39 0.293 16.518 -22.039 270 HA ASP 39 HA ASP 39 1.495 16.301 -19.359 271 1HB ASP 39 2HB ASP 39 -1.184 15.319 -20.396 272 2HB ASP 39 1HB ASP 39 -0.693 15.392 -18.703 273 H VAL 40 H VAL 40 2.806 14.605 -18.907 274 HA VAL 40 HA VAL 40 2.545 12.112 -20.499 275 HB VAL 40 HB VAL 40 4.809 12.770 -20.360 276 1HG1 VAL 40 1HG1 VAL 40 4.485 14.513 -18.641 277 2HG1 VAL 40 2HG1 VAL 40 5.867 13.491 -18.247 278 3HG1 VAL 40 3HG1 VAL 40 4.336 13.265 -17.403 279 1HG2 VAL 40 1HG2 VAL 40 4.071 10.386 -19.350 280 2HG2 VAL 40 2HG2 VAL 40 4.855 11.056 -17.919 281 3HG2 VAL 40 3HG2 VAL 40 5.760 10.891 -19.424 282 H MET 41 H MET 41 1.349 10.471 -19.665 283 HA MET 41 HA MET 41 1.048 10.351 -16.690 284 1HB MET 41 2HB MET 41 -0.994 10.809 -18.343 285 2HB MET 41 1HB MET 41 -0.950 9.052 -18.492 286 1HG MET 41 2HG MET 41 -0.737 9.247 -15.818 287 2HG MET 41 1HG MET 41 -1.627 10.737 -16.132 288 1HE MET 41 1HE MET 41 -2.687 7.969 -14.481 289 2HE MET 41 2HE MET 41 -1.546 7.195 -15.577 290 3HE MET 41 3HE MET 41 -3.238 6.709 -15.592 291 H GLN 42 H GLN 42 2.274 8.702 -15.936 292 HA GLN 42 HA GLN 42 2.651 6.293 -17.643 293 1HB GLN 42 2HB GLN 42 4.723 7.201 -16.800 294 2HB GLN 42 1HB GLN 42 4.079 7.286 -15.160 295 1HG GLN 42 2HG GLN 42 3.887 4.830 -15.099 296 2HG GLN 42 1HG GLN 42 4.520 4.736 -16.743 297 1HE2 GLN 42 1HE2 GLN 42 6.779 5.802 -17.022 298 2HE2 GLN 42 2HE2 GLN 42 7.874 5.631 -15.737 299 H LEU 43 H LEU 43 1.887 4.282 -16.974 300 HA LEU 43 HA LEU 43 0.773 3.996 -14.257 301 1HB LEU 43 2HB LEU 43 -1.068 4.966 -15.660 302 2HB LEU 43 1HB LEU 43 -0.963 3.545 -16.701 303 HG LEU 43 HG LEU 43 -1.128 2.832 -13.872 304 1HD1 LEU 43 1HD1 LEU 43 -3.415 3.531 -13.489 305 2HD1 LEU 43 2HD1 LEU 43 -3.518 4.230 -15.105 306 3HD1 LEU 43 3HD1 LEU 43 -2.468 4.962 -13.892 307 1HD2 LEU 43 1HD2 LEU 43 -2.594 1.183 -14.702 308 2HD2 LEU 43 2HD2 LEU 43 -1.502 1.464 -16.057 309 3HD2 LEU 43 3HD2 LEU 43 -3.109 2.192 -16.054 310 H GLN 44 H GLN 44 1.454 2.039 -13.572 311 HA GLN 44 HA GLN 44 1.646 -0.167 -15.583 312 1HB GLN 44 2HB GLN 44 3.492 0.147 -13.206 313 2HB GLN 44 1HB GLN 44 3.674 -0.941 -14.583 314 1HG GLN 44 2HG GLN 44 3.667 1.269 -15.992 315 2HG GLN 44 1HG GLN 44 4.089 2.034 -14.460 316 1HE2 GLN 44 1HE2 GLN 44 5.087 -1.237 -15.518 317 2HE2 GLN 44 2HE2 GLN 44 6.749 -0.891 -15.552 318 H ILE 45 H ILE 45 1.840 -2.360 -14.240 319 HA ILE 45 HA ILE 45 0.251 -2.277 -11.753 320 HB ILE 45 HB ILE 45 -1.132 -4.237 -13.016 321 1HG1 ILE 45 2HG1 ILE 45 -1.044 -2.161 -15.167 322 2HG1 ILE 45 1HG1 ILE 45 0.262 -3.347 -15.120 323 1HG2 ILE 45 1HG2 ILE 45 -1.959 -2.194 -11.763 324 2HG2 ILE 45 2HG2 ILE 45 -2.949 -2.661 -13.147 325 3HG2 ILE 45 3HG2 ILE 45 -1.832 -1.302 -13.279 326 1HD1 ILE 45 1HD1 ILE 45 -1.465 -5.164 -15.053 327 2HD1 ILE 45 2HD1 ILE 45 -1.510 -4.213 -16.538 328 3HD1 ILE 45 3HD1 ILE 45 -2.707 -3.932 -15.274 329 H LYS 46 H LYS 46 0.270 -4.372 -10.646 330 HA LYS 46 HA LYS 46 2.315 -6.274 -11.710 331 1HB LYS 46 2HB LYS 46 2.923 -4.578 -9.702 332 2HB LYS 46 1HB LYS 46 2.178 -5.872 -8.763 333 1HG LYS 46 2HG LYS 46 3.688 -7.470 -10.118 334 2HG LYS 46 1HG LYS 46 4.589 -6.022 -10.572 335 1HD LYS 46 2HD LYS 46 5.738 -6.616 -8.652 336 2HD LYS 46 1HD LYS 46 4.504 -5.566 -7.956 337 1HE LYS 46 2HE LYS 46 4.692 -7.693 -6.703 338 2HE LYS 46 1HE LYS 46 3.102 -7.521 -7.447 339 1HZ LYS 46 1HZ LYS 46 4.529 -9.706 -7.700 340 2HZ LYS 46 2HZ LYS 46 5.188 -8.841 -9.007 341 3HZ LYS 46 3HZ LYS 46 3.518 -9.151 -8.945 342 H VAL 47 H VAL 47 1.711 -8.400 -11.526 343 HA VAL 47 HA VAL 47 -0.688 -8.996 -9.837 344 HB VAL 47 HB VAL 47 0.001 -9.924 -12.631 345 1HG1 VAL 47 1HG1 VAL 47 -1.951 -11.122 -10.645 346 2HG1 VAL 47 2HG1 VAL 47 -0.582 -11.929 -11.407 347 3HG1 VAL 47 3HG1 VAL 47 -1.980 -11.461 -12.375 348 1HG2 VAL 47 1HG2 VAL 47 -1.566 -8.398 -13.171 349 2HG2 VAL 47 2HG2 VAL 47 -1.807 -8.014 -11.467 350 3HG2 VAL 47 3HG2 VAL 47 -2.748 -9.301 -12.223 351 H ASP 48 H ASP 48 -0.205 -10.471 -8.283 352 HA ASP 48 HA ASP 48 1.525 -12.763 -8.896 353 1HB ASP 48 2HB ASP 48 2.492 -10.417 -7.399 354 2HB ASP 48 1HB ASP 48 2.734 -11.954 -6.569 355 H ASP 49 H ASP 49 -0.436 -10.950 -6.585 356 HA ASP 49 HA ASP 49 -0.590 -12.952 -4.557 357 1HB ASP 49 2HB ASP 49 -1.385 -10.757 -4.030 358 2HB ASP 49 1HB ASP 49 -2.501 -10.760 -5.394 359 H ASN 50 H ASN 50 -0.680 -14.441 -6.828 360 HA ASN 50 HA ASN 50 -1.894 -16.329 -7.573 361 1HB ASN 50 2HB ASN 50 -4.408 -15.349 -6.270 362 2HB ASN 50 1HB ASN 50 -3.809 -16.999 -6.446 363 1HD2 ASN 50 1HD2 ASN 50 -4.385 -14.806 -4.081 364 2HD2 ASN 50 2HD2 ASN 50 -3.145 -15.199 -2.991 365 H GLY 51 H GLY 51 -1.543 -14.286 -9.287 366 1HA GLY 51 2HA GLY 51 -2.409 -13.504 -11.329 367 2HA GLY 51 1HA GLY 51 -3.840 -14.491 -11.031 368 H ILE 52 H ILE 52 -3.184 -12.494 -8.386 369 HA ILE 52 HA ILE 52 -5.334 -10.626 -9.276 370 HB ILE 52 HB ILE 52 -4.325 -11.289 -6.493 371 1HG1 ILE 52 2HG1 ILE 52 -5.601 -13.121 -7.507 372 2HG1 ILE 52 1HG1 ILE 52 -6.575 -12.337 -6.262 373 1HG2 ILE 52 1HG2 ILE 52 -5.146 -9.165 -6.161 374 2HG2 ILE 52 2HG2 ILE 52 -6.670 -10.051 -6.086 375 3HG2 ILE 52 3HG2 ILE 52 -6.195 -9.237 -7.577 376 1HD1 ILE 52 1HD1 ILE 52 -7.403 -10.850 -8.284 377 2HD1 ILE 52 2HD1 ILE 52 -8.107 -12.444 -8.008 378 3HD1 ILE 52 3HD1 ILE 52 -6.867 -12.229 -9.245 379 H ILE 53 H ILE 53 -5.063 -8.336 -8.785 380 HA ILE 53 HA ILE 53 -2.345 -7.418 -9.260 381 HB ILE 53 HB ILE 53 -4.871 -5.874 -8.593 382 1HG1 ILE 53 2HG1 ILE 53 -3.487 -6.421 -11.241 383 2HG1 ILE 53 1HG1 ILE 53 -4.976 -7.193 -10.695 384 1HG2 ILE 53 1HG2 ILE 53 -3.502 -4.020 -9.758 385 2HG2 ILE 53 2HG2 ILE 53 -2.098 -5.040 -9.447 386 3HG2 ILE 53 3HG2 ILE 53 -3.059 -4.429 -8.100 387 1HD1 ILE 53 1HD1 ILE 53 -4.763 -4.190 -10.813 388 2HD1 ILE 53 2HD1 ILE 53 -6.212 -5.196 -10.835 389 3HD1 ILE 53 3HD1 ILE 53 -5.169 -5.121 -12.255 390 H GLU 54 H GLU 54 -0.875 -7.352 -7.634 391 HA GLU 54 HA GLU 54 -1.761 -7.155 -4.837 392 1HB GLU 54 2HB GLU 54 0.116 -8.660 -5.555 393 2HB GLU 54 1HB GLU 54 1.061 -7.223 -5.946 394 1HG GLU 54 2HG GLU 54 -0.109 -7.052 -3.281 395 2HG GLU 54 1HG GLU 54 0.921 -8.474 -3.454 396 H ASP 55 H ASP 55 -0.109 -5.137 -7.235 397 HA ASP 55 HA ASP 55 -0.779 -2.749 -5.685 398 1HB ASP 55 2HB ASP 55 1.564 -1.965 -5.476 399 2HB ASP 55 1HB ASP 55 1.290 -3.442 -4.552 400 H ALA 56 H ALA 56 -0.100 -0.752 -6.895 401 HA ALA 56 HA ALA 56 0.395 -1.293 -9.789 402 1HB ALA 56 1HB ALA 56 -1.609 0.723 -8.736 403 2HB ALA 56 2HB ALA 56 -2.050 -0.879 -9.330 404 3HB ALA 56 3HB ALA 56 -1.318 0.297 -10.422 405 H LYS 57 H LYS 57 2.182 -0.177 -10.388 406 HA LYS 57 HA LYS 57 2.983 2.191 -8.776 407 1HB LYS 57 2HB LYS 57 4.509 0.129 -9.452 408 2HB LYS 57 1HB LYS 57 4.691 1.039 -10.952 409 1HG LYS 57 2HG LYS 57 5.485 2.989 -9.724 410 2HG LYS 57 1HG LYS 57 5.197 2.173 -8.186 411 1HD LYS 57 2HD LYS 57 7.047 0.831 -8.392 412 2HD LYS 57 1HD LYS 57 6.918 0.745 -10.149 413 1HE LYS 57 2HE LYS 57 7.623 3.192 -10.198 414 2HE LYS 57 1HE LYS 57 8.017 3.022 -8.488 415 1HZ LYS 57 1HZ LYS 57 9.078 0.907 -10.112 416 2HZ LYS 57 2HZ LYS 57 9.853 1.881 -8.955 417 3HZ LYS 57 3HZ LYS 57 9.672 2.434 -10.552 418 H PHE 58 H PHE 58 2.549 4.180 -9.591 419 HA PHE 58 HA PHE 58 2.574 4.542 -12.545 420 1HB PHE 58 2HB PHE 58 0.461 5.568 -12.622 421 2HB PHE 58 1HB PHE 58 0.198 4.215 -11.522 422 HD1 PHE 58 HD1 PHE 58 0.641 7.869 -11.776 423 HD2 PHE 58 HD2 PHE 58 -0.115 4.567 -9.134 424 HE1 PHE 58 HE1 PHE 58 -0.039 9.452 -9.992 425 HE2 PHE 58 HE2 PHE 58 -0.794 6.151 -7.350 426 HZ PHE 58 HZ PHE 58 -0.757 8.593 -7.779 427 H LYS 59 H LYS 59 2.799 6.854 -13.145 428 HA LYS 59 HA LYS 59 3.772 8.600 -10.939 429 1HB LYS 59 2HB LYS 59 5.746 7.456 -11.925 430 2HB LYS 59 1HB LYS 59 5.298 8.083 -13.511 431 1HG LYS 59 2HG LYS 59 5.370 10.413 -12.424 432 2HG LYS 59 1HG LYS 59 6.205 9.631 -11.081 433 1HD LYS 59 2HD LYS 59 7.968 8.850 -12.565 434 2HD LYS 59 1HD LYS 59 7.105 9.475 -13.972 435 1HE LYS 59 2HE LYS 59 7.505 11.500 -11.892 436 2HE LYS 59 1HE LYS 59 9.020 10.856 -12.524 437 1HZ LYS 59 1HZ LYS 59 6.792 12.026 -14.098 438 2HZ LYS 59 2HZ LYS 59 8.155 11.274 -14.780 439 3HZ LYS 59 3HZ LYS 59 8.334 12.695 -13.866 440 H THR 60 H THR 60 2.673 10.494 -11.127 441 HA THR 60 HA THR 60 1.924 11.396 -13.881 442 HB THR 60 HB THR 60 0.010 12.595 -12.626 443 HG1 THR 60 HG1 THR 60 0.987 10.780 -10.700 444 1HG2 THR 60 1HG2 THR 60 0.302 9.890 -13.591 445 2HG2 THR 60 2HG2 THR 60 -1.098 10.957 -13.693 446 3HG2 THR 60 3HG2 THR 60 -0.869 9.937 -12.273 447 H TYR 61 H TYR 61 2.451 13.498 -14.402 448 HA TYR 61 HA TYR 61 3.050 15.488 -12.352 449 1HB TYR 61 2HB TYR 61 5.134 13.948 -12.608 450 2HB TYR 61 1HB TYR 61 5.350 14.761 -14.159 451 HD1 TYR 61 HD1 TYR 61 5.753 15.008 -10.579 452 HD2 TYR 61 HD2 TYR 61 5.491 17.305 -14.199 453 HE1 TYR 61 HE1 TYR 61 6.780 16.946 -9.423 454 HE2 TYR 61 HE2 TYR 61 6.518 19.244 -13.043 455 HH TYR 61 HH TYR 61 6.940 20.100 -10.915 456 H GLY 62 H GLY 62 1.702 16.952 -13.413 457 1HA GLY 62 2HA GLY 62 2.734 18.362 -15.679 458 2HA GLY 62 1HA GLY 62 1.456 17.272 -16.214 459 H CYS 63 H CYS 63 -0.395 17.400 -14.209 460 HA CYS 63 HA CYS 63 -1.046 20.318 -14.064 461 1HB CYS 63 2HB CYS 63 -3.092 18.100 -14.238 462 2HB CYS 63 1HB CYS 63 -3.340 19.830 -14.483 463 HG CYS 63 HG CYS 63 -2.052 17.893 -16.536 464 H GLY 64 H GLY 64 -2.966 20.543 -12.334 465 1HA GLY 64 2HA GLY 64 -1.935 19.227 -9.866 466 2HA GLY 64 1HA GLY 64 -2.840 20.740 -9.904 467 H SER 65 H SER 65 -4.681 19.397 -11.969 468 HA SER 65 HA SER 65 -6.557 18.327 -9.976 469 1HB SER 65 2HB SER 65 -7.211 19.847 -11.919 470 2HB SER 65 1HB SER 65 -6.938 18.466 -12.977 471 HG SER 65 HG SER 65 -8.767 17.667 -12.331 472 H ALA 66 H ALA 66 -5.547 17.085 -13.185 473 HA ALA 66 HA ALA 66 -6.344 14.444 -12.886 474 1HB ALA 66 1HB ALA 66 -5.107 15.622 -14.863 475 2HB ALA 66 2HB ALA 66 -4.856 13.894 -14.620 476 3HB ALA 66 3HB ALA 66 -3.640 15.047 -14.070 477 H ILE 67 H ILE 67 -3.808 16.088 -11.193 478 HA ILE 67 HA ILE 67 -2.242 13.817 -10.411 479 HB ILE 67 HB ILE 67 -1.834 16.418 -10.127 480 1HG1 ILE 67 2HG1 ILE 67 -0.529 15.588 -7.866 481 2HG1 ILE 67 1HG1 ILE 67 -0.878 14.045 -8.646 482 1HG2 ILE 67 1HG2 ILE 67 -3.903 16.347 -8.481 483 2HG2 ILE 67 2HG2 ILE 67 -2.515 17.372 -8.118 484 3HG2 ILE 67 3HG2 ILE 67 -2.692 15.811 -7.317 485 1HD1 ILE 67 1HD1 ILE 67 1.203 14.694 -9.566 486 2HD1 ILE 67 2HD1 ILE 67 0.700 16.376 -9.731 487 3HD1 ILE 67 3HD1 ILE 67 0.027 15.146 -10.800 488 H ALA 68 H ALA 68 -5.442 14.521 -9.755 489 HA ALA 68 HA ALA 68 -5.365 13.157 -7.103 490 1HB ALA 68 1HB ALA 68 -6.573 15.260 -7.061 491 2HB ALA 68 2HB ALA 68 -7.746 13.950 -6.927 492 3HB ALA 68 3HB ALA 68 -7.530 14.786 -8.464 493 H SER 69 H SER 69 -7.341 13.159 -10.099 494 HA SER 69 HA SER 69 -8.755 10.776 -9.631 495 1HB SER 69 2HB SER 69 -7.700 11.413 -12.375 496 2HB SER 69 1HB SER 69 -9.277 10.775 -11.916 497 HG SER 69 HG SER 69 -9.548 12.877 -10.820 498 H SER 70 H SER 70 -5.551 11.175 -11.155 499 HA SER 70 HA SER 70 -5.031 8.519 -11.859 500 1HB SER 70 2HB SER 70 -3.462 10.897 -11.336 501 2HB SER 70 1HB SER 70 -2.624 9.464 -10.743 502 HG SER 70 HG SER 70 -2.506 8.694 -12.736 503 H SER 71 H SER 71 -4.350 10.051 -8.694 504 HA SER 71 HA SER 71 -3.368 7.736 -7.396 505 1HB SER 71 2HB SER 71 -4.285 10.371 -6.617 506 2HB SER 71 1HB SER 71 -4.833 9.163 -5.459 507 HG SER 71 HG SER 71 -2.536 8.387 -5.664 508 H LEU 72 H LEU 72 -6.720 8.916 -7.703 509 HA LEU 72 HA LEU 72 -7.959 6.947 -6.083 510 1HB LEU 72 2HB LEU 72 -9.066 8.991 -7.082 511 2HB LEU 72 1HB LEU 72 -9.129 8.125 -8.617 512 HG LEU 72 HG LEU 72 -10.119 6.367 -6.594 513 1HD1 LEU 72 1HD1 LEU 72 -10.576 8.320 -5.212 514 2HD1 LEU 72 2HD1 LEU 72 -12.097 7.711 -5.862 515 3HD1 LEU 72 3HD1 LEU 72 -11.346 9.141 -6.569 516 1HD2 LEU 72 1HD2 LEU 72 -11.305 7.856 -8.944 517 2HD2 LEU 72 2HD2 LEU 72 -12.264 6.741 -7.971 518 3HD2 LEU 72 3HD2 LEU 72 -10.851 6.155 -8.850 519 H ILE 73 H ILE 73 -8.010 6.908 -9.665 520 HA ILE 73 HA ILE 73 -8.792 4.238 -9.970 521 HB ILE 73 HB ILE 73 -8.677 5.741 -11.876 522 1HG1 ILE 73 2HG1 ILE 73 -6.657 3.502 -12.218 523 2HG1 ILE 73 1HG1 ILE 73 -8.407 3.284 -12.263 524 1HG2 ILE 73 1HG2 ILE 73 -6.488 6.802 -10.915 525 2HG2 ILE 73 2HG2 ILE 73 -6.704 6.733 -12.663 526 3HG2 ILE 73 3HG2 ILE 73 -5.673 5.552 -11.855 527 1HD1 ILE 73 1HD1 ILE 73 -6.661 4.811 -14.194 528 2HD1 ILE 73 2HD1 ILE 73 -8.397 5.103 -14.096 529 3HD1 ILE 73 3HD1 ILE 73 -7.796 3.505 -14.539 530 H THR 74 H THR 74 -5.418 5.453 -9.944 531 HA THR 74 HA THR 74 -4.064 3.031 -10.186 532 HB THR 74 HB THR 74 -2.278 4.081 -8.747 533 HG1 THR 74 HG1 THR 74 -3.013 6.451 -8.431 534 1HG2 THR 74 1HG2 THR 74 -3.562 5.339 -11.117 535 2HG2 THR 74 2HG2 THR 74 -1.923 4.717 -10.922 536 3HG2 THR 74 3HG2 THR 74 -2.351 6.300 -10.270 537 H GLU 75 H GLU 75 -5.869 4.222 -7.422 538 HA GLU 75 HA GLU 75 -4.918 1.911 -5.799 539 1HB GLU 75 2HB GLU 75 -4.863 4.117 -4.707 540 2HB GLU 75 1HB GLU 75 -6.586 4.323 -5.020 541 1HG GLU 75 2HG GLU 75 -7.190 2.931 -3.325 542 2HG GLU 75 1HG GLU 75 -5.874 1.803 -3.655 543 H TRP 76 H TRP 76 -7.384 2.665 -7.918 544 HA TRP 76 HA TRP 76 -9.490 1.190 -6.462 545 1HB TRP 76 2HB TRP 76 -9.753 3.264 -8.087 546 2HB TRP 76 1HB TRP 76 -9.743 2.017 -9.334 547 HD1 TRP 76 HD1 TRP 76 -11.723 3.180 -6.272 548 HE1 TRP 76 HE1 TRP 76 -14.081 2.142 -6.372 549 HE3 TRP 76 HE3 TRP 76 -11.148 0.074 -10.283 550 HZ2 TRP 76 HZ2 TRP 76 -15.531 0.242 -7.945 551 HZ3 TRP 76 HZ3 TRP 76 -13.030 -1.339 -11.060 552 HH2 TRP 76 HH2 TRP 76 -15.219 -1.259 -9.898 553 H VAL 77 H VAL 77 -6.980 0.577 -8.732 554 HA VAL 77 HA VAL 77 -8.249 -2.007 -9.520 555 HB VAL 77 HB VAL 77 -6.439 -2.077 -11.253 556 1HG1 VAL 77 1HG1 VAL 77 -8.671 -0.224 -11.072 557 2HG1 VAL 77 2HG1 VAL 77 -8.120 -1.172 -12.453 558 3HG1 VAL 77 3HG1 VAL 77 -7.406 0.407 -12.126 559 1HG2 VAL 77 1HG2 VAL 77 -5.767 0.544 -9.917 560 2HG2 VAL 77 2HG2 VAL 77 -5.348 0.259 -11.606 561 3HG2 VAL 77 3HG2 VAL 77 -4.686 -0.782 -10.346 562 H LYS 78 H LYS 78 -6.899 -1.355 -6.900 563 HA LYS 78 HA LYS 78 -4.561 -3.198 -7.065 564 1HB LYS 78 2HB LYS 78 -3.837 -1.320 -5.895 565 2HB LYS 78 1HB LYS 78 -5.413 -1.054 -5.146 566 1HG LYS 78 2HG LYS 78 -5.082 -2.738 -3.547 567 2HG LYS 78 1HG LYS 78 -3.833 -3.535 -4.506 568 1HD LYS 78 2HD LYS 78 -2.850 -2.328 -2.584 569 2HD LYS 78 1HD LYS 78 -2.309 -1.642 -4.116 570 1HE LYS 78 2HE LYS 78 -3.737 0.232 -3.916 571 2HE LYS 78 1HE LYS 78 -4.722 -0.544 -2.677 572 1HZ LYS 78 1HZ LYS 78 -2.883 1.210 -2.069 573 2HZ LYS 78 2HZ LYS 78 -1.877 -0.157 -2.123 574 3HZ LYS 78 3HZ LYS 78 -3.203 -0.116 -1.062 575 H GLY 79 H GLY 79 -5.352 -5.272 -6.907 576 1HA GLY 79 2HA GLY 79 -5.906 -6.992 -5.207 577 2HA GLY 79 1HA GLY 79 -7.080 -5.856 -4.536 578 H LYS 80 H LYS 80 -7.265 -5.486 -7.804 579 HA LYS 80 HA LYS 80 -9.625 -7.296 -7.934 580 1HB LYS 80 2HB LYS 80 -9.076 -5.408 -10.157 581 2HB LYS 80 1HB LYS 80 -10.595 -5.773 -9.338 582 1HG LYS 80 2HG LYS 80 -8.351 -4.118 -8.146 583 2HG LYS 80 1HG LYS 80 -9.807 -3.452 -8.883 584 1HD LYS 80 2HD LYS 80 -9.764 -5.335 -6.506 585 2HD LYS 80 1HD LYS 80 -10.019 -3.592 -6.417 586 1HE LYS 80 2HE LYS 80 -11.909 -4.143 -8.216 587 2HE LYS 80 1HE LYS 80 -11.844 -5.725 -7.441 588 1HZ LYS 80 1HZ LYS 80 -13.260 -4.764 -6.007 589 2HZ LYS 80 2HZ LYS 80 -12.772 -3.183 -6.397 590 3HZ LYS 80 3HZ LYS 80 -11.851 -4.118 -5.318 591 H SER 81 H SER 81 -9.934 -7.900 -10.497 592 HA SER 81 HA SER 81 -7.409 -9.330 -11.204 593 1HB SER 81 2HB SER 81 -9.450 -10.717 -10.710 594 2HB SER 81 1HB SER 81 -10.236 -9.966 -12.095 595 HG SER 81 HG SER 81 -8.429 -10.744 -13.349 596 H LEU 82 H LEU 82 -7.339 -9.771 -13.702 597 HA LEU 82 HA LEU 82 -7.143 -7.231 -15.023 598 1HB LEU 82 2HB LEU 82 -6.769 -10.083 -15.760 599 2HB LEU 82 1HB LEU 82 -7.121 -8.982 -17.092 600 HG LEU 82 HG LEU 82 -4.966 -8.470 -15.027 601 1HD1 LEU 82 1HD1 LEU 82 -4.048 -10.291 -16.125 602 2HD1 LEU 82 2HD1 LEU 82 -3.548 -8.996 -17.213 603 3HD1 LEU 82 3HD1 LEU 82 -4.953 -9.985 -17.609 604 1HD2 LEU 82 1HD2 LEU 82 -5.173 -6.405 -15.961 605 2HD2 LEU 82 2HD2 LEU 82 -6.106 -7.018 -17.326 606 3HD2 LEU 82 3HD2 LEU 82 -4.345 -7.120 -17.345 607 H GLU 83 H GLU 83 -9.773 -9.401 -14.556 608 HA GLU 83 HA GLU 83 -11.298 -8.702 -16.911 609 1HB GLU 83 2HB GLU 83 -12.012 -10.683 -15.855 610 2HB GLU 83 1HB GLU 83 -11.970 -9.951 -14.251 611 1HG GLU 83 2HG GLU 83 -13.932 -8.667 -14.672 612 2HG GLU 83 1HG GLU 83 -13.863 -8.993 -16.403 613 H GLU 84 H GLU 84 -10.897 -7.277 -13.722 614 HA GLU 84 HA GLU 84 -13.122 -5.394 -14.144 615 1HB GLU 84 2HB GLU 84 -11.120 -5.855 -11.937 616 2HB GLU 84 1HB GLU 84 -12.113 -4.397 -11.967 617 1HG GLU 84 2HG GLU 84 -13.237 -7.206 -12.128 618 2HG GLU 84 1HG GLU 84 -13.119 -6.278 -10.632 619 H ALA 85 H ALA 85 -9.572 -5.132 -13.711 620 HA ALA 85 HA ALA 85 -9.443 -2.354 -14.388 621 1HB ALA 85 1HB ALA 85 -6.990 -3.065 -15.028 622 2HB ALA 85 2HB ALA 85 -7.457 -4.606 -14.309 623 3HB ALA 85 3HB ALA 85 -7.505 -3.132 -13.342 624 H GLY 86 H GLY 86 -9.890 -5.177 -16.311 625 1HA GLY 86 2HA GLY 86 -9.172 -3.671 -18.785 626 2HA GLY 86 1HA GLY 86 -9.344 -5.424 -18.688 627 H ALA 87 H ALA 87 -11.550 -2.968 -17.388 628 HA ALA 87 HA ALA 87 -13.507 -3.417 -19.526 629 1HB ALA 87 1HB ALA 87 -14.319 -5.275 -18.438 630 2HB ALA 87 2HB ALA 87 -15.174 -4.046 -17.504 631 3HB ALA 87 3HB ALA 87 -13.691 -4.759 -16.872 632 H ILE 88 H ILE 88 -12.701 -2.043 -16.374 633 HA ILE 88 HA ILE 88 -14.768 -0.263 -15.908 634 HB ILE 88 HB ILE 88 -12.754 1.361 -15.263 635 1HG1 ILE 88 2HG1 ILE 88 -11.328 -1.293 -15.262 636 2HG1 ILE 88 1HG1 ILE 88 -11.243 -0.240 -16.675 637 1HG2 ILE 88 1HG2 ILE 88 -13.139 -1.312 -13.882 638 2HG2 ILE 88 2HG2 ILE 88 -14.259 0.043 -13.731 639 3HG2 ILE 88 3HG2 ILE 88 -12.604 0.197 -13.141 640 1HD1 ILE 88 1HD1 ILE 88 -9.511 -0.054 -14.611 641 2HD1 ILE 88 2HD1 ILE 88 -10.761 1.054 -14.046 642 3HD1 ILE 88 3HD1 ILE 88 -9.974 1.332 -15.598 643 H LYS 89 H LYS 89 -14.722 2.185 -16.355 644 HA LYS 89 HA LYS 89 -13.764 2.744 -19.126 645 1HB LYS 89 2HB LYS 89 -16.456 3.629 -18.055 646 2HB LYS 89 1HB LYS 89 -15.860 3.772 -19.709 647 1HG LYS 89 2HG LYS 89 -15.667 1.211 -19.690 648 2HG LYS 89 1HG LYS 89 -16.639 1.260 -18.220 649 1HD LYS 89 2HD LYS 89 -18.520 2.084 -19.330 650 2HD LYS 89 1HD LYS 89 -17.568 2.752 -20.656 651 1HE LYS 89 2HE LYS 89 -17.170 0.584 -21.586 652 2HE LYS 89 1HE LYS 89 -17.780 -0.222 -20.141 653 1HZ LYS 89 1HZ LYS 89 -19.439 -0.252 -21.866 654 2HZ LYS 89 2HZ LYS 89 -19.362 1.438 -22.029 655 3HZ LYS 89 3HZ LYS 89 -19.966 0.746 -20.599 656 H ASN 90 H ASN 90 -14.518 5.361 -19.355 657 HA ASN 90 HA ASN 90 -12.938 6.622 -17.174 658 1HB ASN 90 2HB ASN 90 -12.858 8.581 -18.759 659 2HB ASN 90 1HB ASN 90 -12.117 7.113 -19.396 660 1HD2 ASN 90 1HD2 ASN 90 -13.766 9.544 -20.612 661 2HD2 ASN 90 2HD2 ASN 90 -14.831 8.758 -21.673 662 H SER 91 H SER 91 -16.117 6.637 -18.672 663 HA SER 91 HA SER 91 -17.086 9.047 -17.450 664 1HB SER 91 2HB SER 91 -19.074 6.912 -17.810 665 2HB SER 91 1HB SER 91 -19.025 8.529 -18.505 666 HG SER 91 HG SER 91 -18.479 7.485 -20.251 667 H GLN 92 H GLN 92 -17.097 5.647 -16.407 668 HA GLN 92 HA GLN 92 -18.680 5.958 -14.073 669 1HB GLN 92 2HB GLN 92 -16.321 4.098 -14.505 670 2HB GLN 92 1HB GLN 92 -17.564 3.914 -13.268 671 1HG GLN 92 2HG GLN 92 -18.405 4.165 -16.135 672 2HG GLN 92 1HG GLN 92 -17.773 2.621 -15.564 673 1HE2 GLN 92 1HE2 GLN 92 -20.188 5.122 -14.587 674 2HE2 GLN 92 2HE2 GLN 92 -21.296 4.007 -13.946 675 H ILE 93 H ILE 93 -15.122 5.575 -13.996 676 HA ILE 93 HA ILE 93 -14.656 6.503 -11.428 677 HB ILE 93 HB ILE 93 -12.930 7.288 -13.792 678 1HG1 ILE 93 2HG1 ILE 93 -12.892 4.694 -12.219 679 2HG1 ILE 93 1HG1 ILE 93 -13.597 4.861 -13.828 680 1HG2 ILE 93 1HG2 ILE 93 -11.219 6.643 -11.844 681 2HG2 ILE 93 2HG2 ILE 93 -12.593 7.083 -10.829 682 3HG2 ILE 93 3HG2 ILE 93 -11.915 8.259 -11.956 683 1HD1 ILE 93 1HD1 ILE 93 -11.280 5.855 -14.484 684 2HD1 ILE 93 2HD1 ILE 93 -11.419 4.108 -14.289 685 3HD1 ILE 93 3HD1 ILE 93 -10.709 5.085 -13.005 686 H ALA 94 H ALA 94 -15.364 8.431 -14.302 687 HA ALA 94 HA ALA 94 -14.767 10.992 -13.149 688 1HB ALA 94 1HB ALA 94 -15.088 11.405 -15.354 689 2HB ALA 94 2HB ALA 94 -16.807 11.460 -14.963 690 3HB ALA 94 3HB ALA 94 -16.086 9.965 -15.559 691 H GLU 95 H GLU 95 -17.592 8.893 -13.036 692 HA GLU 95 HA GLU 95 -19.283 10.939 -11.803 693 1HB GLU 95 2HB GLU 95 -20.023 8.881 -13.226 694 2HB GLU 95 1HB GLU 95 -19.822 7.970 -11.730 695 1HG GLU 95 2HG GLU 95 -21.740 8.788 -10.868 696 2HG GLU 95 1HG GLU 95 -21.319 10.444 -11.304 697 H GLU 96 H GLU 96 -16.877 8.750 -10.747 698 HA GLU 96 HA GLU 96 -17.908 8.447 -8.022 699 1HB GLU 96 2HB GLU 96 -16.120 7.020 -9.513 700 2HB GLU 96 1HB GLU 96 -15.030 7.980 -8.512 701 1HG GLU 96 2HG GLU 96 -15.563 5.877 -7.373 702 2HG GLU 96 1HG GLU 96 -16.267 7.232 -6.489 703 H LEU 97 H LEU 97 -15.138 10.179 -9.498 704 HA LEU 97 HA LEU 97 -14.615 11.631 -7.018 705 1HB LEU 97 2HB LEU 97 -13.163 11.073 -9.339 706 2HB LEU 97 1HB LEU 97 -13.451 12.812 -9.415 707 HG LEU 97 HG LEU 97 -12.427 11.440 -6.921 708 1HD1 LEU 97 1HD1 LEU 97 -10.298 12.833 -7.944 709 2HD1 LEU 97 2HD1 LEU 97 -11.032 12.185 -9.411 710 3HD1 LEU 97 3HD1 LEU 97 -10.526 11.093 -8.121 711 1HD2 LEU 97 1HD2 LEU 97 -12.752 14.280 -7.878 712 2HD2 LEU 97 2HD2 LEU 97 -11.566 13.884 -6.634 713 3HD2 LEU 97 3HD2 LEU 97 -13.277 13.562 -6.356 714 H GLU 98 H GLU 98 -16.570 12.112 -9.850 715 HA GLU 98 HA GLU 98 -18.175 13.787 -10.262 716 1HB GLU 98 2HB GLU 98 -17.756 13.914 -7.485 717 2HB GLU 98 1HB GLU 98 -17.582 15.575 -8.052 718 1HG GLU 98 2HG GLU 98 -19.743 15.356 -9.268 719 2HG GLU 98 1HG GLU 98 -19.928 13.733 -8.601 720 H LEU 99 H LEU 99 -15.448 13.900 -11.247 721 HA LEU 99 HA LEU 99 -14.467 16.620 -11.003 722 1HB LEU 99 2HB LEU 99 -12.941 15.978 -12.845 723 2HB LEU 99 1HB LEU 99 -12.956 14.759 -11.569 724 HG LEU 99 HG LEU 99 -14.989 13.855 -13.137 725 1HD1 LEU 99 1HD1 LEU 99 -14.197 15.805 -14.732 726 2HD1 LEU 99 2HD1 LEU 99 -14.627 14.233 -15.405 727 3HD1 LEU 99 3HD1 LEU 99 -12.932 14.657 -15.169 728 1HD2 LEU 99 1HD2 LEU 99 -13.214 12.314 -14.122 729 2HD2 LEU 99 2HD2 LEU 99 -13.222 12.425 -12.362 730 3HD2 LEU 99 3HD2 LEU 99 -12.013 13.307 -13.296 731 HA PRO 100 HA PRO 100 -17.149 18.479 -14.002 732 1HB PRO 100 2HB PRO 100 -15.640 20.653 -14.672 733 2HB PRO 100 1HB PRO 100 -16.494 20.506 -13.123 734 1HG PRO 100 2HG PRO 100 -13.617 20.088 -13.746 735 2HG PRO 100 1HG PRO 100 -14.372 20.815 -12.317 736 1HD PRO 100 2HD PRO 100 -13.401 18.238 -12.379 737 2HD PRO 100 1HD PRO 100 -14.697 18.779 -11.289 738 HA PRO 101 HA PRO 101 -15.729 17.215 -18.010 739 1HB PRO 101 2HB PRO 101 -17.389 18.667 -19.606 740 2HB PRO 101 1HB PRO 101 -17.950 17.292 -18.637 741 1HG PRO 101 2HG PRO 101 -18.207 20.208 -18.112 742 2HG PRO 101 1HG PRO 101 -19.362 18.898 -17.811 743 1HD PRO 101 2HD PRO 101 -17.776 20.023 -15.851 744 2HD PRO 101 1HD PRO 101 -18.434 18.374 -15.771 745 H VAL 102 H VAL 102 -15.145 20.305 -16.844 746 HA VAL 102 HA VAL 102 -14.333 21.743 -19.165 747 HB VAL 102 HB VAL 102 -13.026 23.130 -17.637 748 1HG1 VAL 102 1HG1 VAL 102 -14.961 23.014 -15.679 749 2HG1 VAL 102 2HG1 VAL 102 -15.773 22.256 -17.049 750 3HG1 VAL 102 3HG1 VAL 102 -15.120 23.887 -17.203 751 1HG2 VAL 102 1HG2 VAL 102 -13.062 20.629 -16.057 752 2HG2 VAL 102 2HG2 VAL 102 -13.303 22.102 -15.117 753 3HG2 VAL 102 3HG2 VAL 102 -11.854 21.913 -16.103 754 H LYS 103 H LYS 103 -13.155 18.842 -18.071 755 HA LYS 103 HA LYS 103 -10.853 18.965 -19.837 756 1HB LYS 103 2HB LYS 103 -10.185 20.079 -17.550 757 2HB LYS 103 1HB LYS 103 -10.127 18.412 -16.974 758 1HG LYS 103 2HG LYS 103 -8.643 17.903 -18.985 759 2HG LYS 103 1HG LYS 103 -8.527 19.648 -19.225 760 1HD LYS 103 2HD LYS 103 -7.595 19.929 -16.983 761 2HD LYS 103 1HD LYS 103 -7.788 18.206 -16.661 762 1HE LYS 103 2HE LYS 103 -6.033 17.607 -18.042 763 2HE LYS 103 1HE LYS 103 -6.234 19.015 -19.084 764 1HZ LYS 103 1HZ LYS 103 -5.067 18.951 -16.358 765 2HZ LYS 103 2HZ LYS 103 -5.441 20.386 -17.188 766 3HZ LYS 103 3HZ LYS 103 -4.270 19.322 -17.809 767 H VAL 104 H VAL 104 -12.749 17.248 -20.235 768 HA VAL 104 HA VAL 104 -12.846 14.866 -18.678 769 HB VAL 104 HB VAL 104 -13.215 15.061 -21.679 770 1HG1 VAL 104 1HG1 VAL 104 -13.153 12.788 -20.537 771 2HG1 VAL 104 2HG1 VAL 104 -14.642 13.149 -21.409 772 3HG1 VAL 104 3HG1 VAL 104 -14.594 13.285 -19.651 773 1HG2 VAL 104 1HG2 VAL 104 -14.483 16.817 -20.391 774 2HG2 VAL 104 2HG2 VAL 104 -15.272 15.519 -19.497 775 3HG2 VAL 104 3HG2 VAL 104 -15.522 15.669 -21.235 776 H HIS 105 H HIS 105 -10.514 16.007 -21.012 777 HA HIS 105 HA HIS 105 -9.291 13.650 -21.875 778 1HB HIS 105 2HB HIS 105 -8.632 16.367 -21.880 779 2HB HIS 105 1HB HIS 105 -7.299 15.600 -21.017 780 HD2 HIS 105 HD2 HIS 105 -7.993 16.412 -24.559 781 HE1 HIS 105 HE1 HIS 105 -5.992 12.699 -24.781 782 HE2 HIS 105 HE2 HIS 105 -6.758 14.719 -26.111 783 H CYS 106 H CYS 106 -9.545 14.852 -18.666 784 HA CYS 106 HA CYS 106 -7.216 13.496 -17.581 785 1HB CYS 106 2HB CYS 106 -7.937 15.213 -16.182 786 2HB CYS 106 1HB CYS 106 -9.643 14.846 -16.443 787 HG CYS 106 HG CYS 106 -7.768 13.155 -14.595 788 H SER 107 H SER 107 -10.714 12.832 -17.112 789 HA SER 107 HA SER 107 -10.367 10.234 -16.034 790 1HB SER 107 2HB SER 107 -12.517 11.657 -16.172 791 2HB SER 107 1HB SER 107 -12.702 10.995 -17.794 792 HG SER 107 HG SER 107 -13.769 9.654 -16.370 793 H ILE 108 H ILE 108 -10.571 11.334 -19.392 794 HA ILE 108 HA ILE 108 -10.774 8.769 -20.623 795 HB ILE 108 HB ILE 108 -9.838 11.480 -21.481 796 1HG1 ILE 108 2HG1 ILE 108 -11.779 9.501 -22.713 797 2HG1 ILE 108 1HG1 ILE 108 -12.242 10.716 -21.519 798 1HG2 ILE 108 1HG2 ILE 108 -8.156 10.270 -22.595 799 2HG2 ILE 108 2HG2 ILE 108 -9.450 10.342 -23.792 800 3HG2 ILE 108 3HG2 ILE 108 -9.202 8.872 -22.850 801 1HD1 ILE 108 1HD1 ILE 108 -10.692 11.691 -23.862 802 2HD1 ILE 108 2HD1 ILE 108 -12.030 12.453 -23.001 803 3HD1 ILE 108 3HD1 ILE 108 -12.349 11.176 -24.176 804 H LEU 109 H LEU 109 -7.824 10.794 -20.383 805 HA LEU 109 HA LEU 109 -5.914 8.956 -21.143 806 1HB LEU 109 2HB LEU 109 -5.958 11.290 -19.375 807 2HB LEU 109 1HB LEU 109 -4.716 10.122 -18.925 808 HG LEU 109 HG LEU 109 -4.033 10.079 -21.373 809 1HD1 LEU 109 1HD1 LEU 109 -4.724 12.125 -22.666 810 2HD1 LEU 109 2HD1 LEU 109 -5.908 12.463 -21.403 811 3HD1 LEU 109 3HD1 LEU 109 -6.044 10.995 -22.371 812 1HD2 LEU 109 1HD2 LEU 109 -3.050 11.524 -19.411 813 2HD2 LEU 109 2HD2 LEU 109 -3.786 12.872 -20.280 814 3HD2 LEU 109 3HD2 LEU 109 -2.562 11.877 -21.068 815 H ALA 110 H ALA 110 -7.472 9.154 -17.949 816 HA ALA 110 HA ALA 110 -5.954 7.198 -16.599 817 1HB ALA 110 1HB ALA 110 -8.730 6.898 -15.907 818 2HB ALA 110 2HB ALA 110 -8.379 8.608 -16.155 819 3HB ALA 110 3HB ALA 110 -7.445 7.678 -14.984 820 H GLU 111 H GLU 111 -9.137 6.604 -18.146 821 HA GLU 111 HA GLU 111 -9.049 3.797 -18.038 822 1HB GLU 111 2HB GLU 111 -11.075 4.950 -18.712 823 2HB GLU 111 1HB GLU 111 -10.275 5.605 -20.142 824 1HG GLU 111 2HG GLU 111 -9.968 2.733 -20.081 825 2HG GLU 111 1HG GLU 111 -11.674 3.156 -19.937 826 H ASP 112 H ASP 112 -8.390 5.646 -21.035 827 HA ASP 112 HA ASP 112 -7.283 3.721 -22.623 828 1HB ASP 112 2HB ASP 112 -7.412 6.241 -23.068 829 2HB ASP 112 1HB ASP 112 -5.855 6.360 -22.246 830 H ALA 113 H ALA 113 -5.685 5.221 -19.836 831 HA ALA 113 HA ALA 113 -3.099 4.090 -20.227 832 1HB ALA 113 1HB ALA 113 -2.614 4.898 -18.127 833 2HB ALA 113 2HB ALA 113 -4.144 4.346 -17.445 834 3HB ALA 113 3HB ALA 113 -4.093 5.811 -18.425 835 H ILE 114 H ILE 114 -5.503 2.951 -17.821 836 HA ILE 114 HA ILE 114 -4.388 0.528 -17.152 837 HB ILE 114 HB ILE 114 -6.802 1.650 -16.672 838 1HG1 ILE 114 2HG1 ILE 114 -7.377 -0.578 -15.578 839 2HG1 ILE 114 1HG1 ILE 114 -5.926 -1.229 -16.341 840 1HG2 ILE 114 1HG2 ILE 114 -7.428 -0.781 -18.369 841 2HG2 ILE 114 2HG2 ILE 114 -7.618 0.880 -18.932 842 3HG2 ILE 114 3HG2 ILE 114 -8.584 0.292 -17.578 843 1HD1 ILE 114 1HD1 ILE 114 -6.160 0.441 -13.973 844 2HD1 ILE 114 2HD1 ILE 114 -5.092 1.176 -15.169 845 3HD1 ILE 114 3HD1 ILE 114 -4.762 -0.451 -14.574 846 H LYS 115 H LYS 115 -6.200 1.223 -20.127 847 HA LYS 115 HA LYS 115 -6.287 -1.423 -21.157 848 1HB LYS 115 2HB LYS 115 -6.862 1.210 -22.101 849 2HB LYS 115 1HB LYS 115 -5.841 0.423 -23.305 850 1HG LYS 115 2HG LYS 115 -8.282 -0.898 -22.096 851 2HG LYS 115 1HG LYS 115 -8.333 0.032 -23.594 852 1HD LYS 115 2HD LYS 115 -7.012 -1.509 -24.753 853 2HD LYS 115 1HD LYS 115 -6.301 -2.160 -23.275 854 1HE LYS 115 2HE LYS 115 -8.298 -3.339 -22.715 855 2HE LYS 115 1HE LYS 115 -9.241 -2.458 -23.917 856 1HZ LYS 115 1HZ LYS 115 -7.480 -4.731 -24.250 857 2HZ LYS 115 2HZ LYS 115 -7.317 -3.523 -25.433 858 3HZ LYS 115 3HZ LYS 115 -8.826 -4.256 -25.166 859 H ALA 116 H ALA 116 -3.895 1.155 -21.856 860 HA ALA 116 HA ALA 116 -2.127 -0.325 -23.438 861 1HB ALA 116 1HB ALA 116 -1.525 1.791 -21.354 862 2HB ALA 116 2HB ALA 116 -1.752 2.037 -23.086 863 3HB ALA 116 3HB ALA 116 -0.329 1.177 -22.496 864 H ALA 117 H ALA 117 -1.883 0.070 -19.881 865 HA ALA 117 HA ALA 117 0.238 -1.648 -19.373 866 1HB ALA 117 1HB ALA 117 -0.366 -1.309 -17.226 867 2HB ALA 117 2HB ALA 117 -1.903 -2.138 -17.467 868 3HB ALA 117 3HB ALA 117 -1.761 -0.420 -17.839 869 H ILE 118 H ILE 118 -3.102 -2.514 -20.142 870 HA ILE 118 HA ILE 118 -2.718 -5.349 -19.616 871 HB ILE 118 HB ILE 118 -4.841 -3.785 -21.103 872 1HG1 ILE 118 2HG1 ILE 118 -5.063 -5.413 -18.562 873 2HG1 ILE 118 1HG1 ILE 118 -4.607 -3.709 -18.545 874 1HG2 ILE 118 1HG2 ILE 118 -4.735 -5.958 -22.156 875 2HG2 ILE 118 2HG2 ILE 118 -6.113 -5.966 -21.055 876 3HG2 ILE 118 3HG2 ILE 118 -4.610 -6.764 -20.592 877 1HD1 ILE 118 1HD1 ILE 118 -6.687 -3.104 -19.676 878 2HD1 ILE 118 2HD1 ILE 118 -7.056 -4.032 -18.222 879 3HD1 ILE 118 3HD1 ILE 118 -7.137 -4.804 -19.806 880 H ALA 119 H ALA 119 -3.242 -3.558 -22.676 881 HA ALA 119 HA ALA 119 -2.810 -5.473 -24.563 882 1HB ALA 119 1HB ALA 119 -1.763 -3.781 -25.993 883 2HB ALA 119 2HB ALA 119 -1.417 -2.780 -24.583 884 3HB ALA 119 3HB ALA 119 -3.086 -3.061 -25.076 885 H ASP 120 H ASP 120 -0.116 -3.788 -22.897 886 HA ASP 120 HA ASP 120 1.914 -5.436 -24.110 887 1HB ASP 120 2HB ASP 120 2.143 -3.132 -22.908 888 2HB ASP 120 1HB ASP 120 2.255 -4.096 -21.434 889 H TYR 121 H TYR 121 0.676 -5.413 -20.745 890 HA TYR 121 HA TYR 121 1.910 -7.525 -19.588 891 1HB TYR 121 2HB TYR 121 0.198 -6.706 -18.259 892 2HB TYR 121 1HB TYR 121 -0.971 -6.712 -19.580 893 HD1 TYR 121 HD1 TYR 121 -2.089 -8.799 -20.270 894 HD2 TYR 121 HD2 TYR 121 0.623 -8.700 -16.940 895 HE1 TYR 121 HE1 TYR 121 -2.930 -11.007 -19.519 896 HE2 TYR 121 HE2 TYR 121 -0.218 -10.908 -16.190 897 HH TYR 121 HH TYR 121 -1.368 -12.801 -16.978 898 H LYS 122 H LYS 122 -0.319 -7.782 -22.299 899 HA LYS 122 HA LYS 122 -0.123 -10.744 -22.212 900 1HB LYS 122 2HB LYS 122 -2.345 -9.705 -22.605 901 2HB LYS 122 1HB LYS 122 -1.714 -8.948 -24.068 902 1HG LYS 122 2HG LYS 122 -2.250 -10.818 -25.199 903 2HG LYS 122 1HG LYS 122 -1.025 -11.676 -24.265 904 1HD LYS 122 2HD LYS 122 -3.021 -12.894 -23.875 905 2HD LYS 122 1HD LYS 122 -2.830 -11.893 -22.435 906 1HE LYS 122 2HE LYS 122 -4.783 -11.613 -24.692 907 2HE LYS 122 1HE LYS 122 -5.054 -11.471 -22.955 908 1HZ LYS 122 1HZ LYS 122 -4.002 -9.369 -22.920 909 2HZ LYS 122 2HZ LYS 122 -5.098 -9.333 -24.216 910 3HZ LYS 122 3HZ LYS 122 -3.437 -9.534 -24.510 911 H ALA 123 H ALA 123 0.848 -7.964 -24.166 912 HA ALA 123 HA ALA 123 1.955 -9.623 -26.302 913 1HB ALA 123 1HB ALA 123 2.336 -7.645 -27.405 914 2HB ALA 123 2HB ALA 123 2.887 -6.819 -25.947 915 3HB ALA 123 3HB ALA 123 1.161 -7.044 -26.236 916 H LYS 124 H LYS 124 3.011 -8.526 -23.218 917 HA LYS 124 HA LYS 124 5.735 -8.157 -23.389 918 1HB LYS 124 2HB LYS 124 3.974 -8.805 -21.343 919 2HB LYS 124 1HB LYS 124 5.101 -10.161 -21.344 920 1HG LYS 124 2HG LYS 124 6.259 -8.695 -19.980 921 2HG LYS 124 1HG LYS 124 6.902 -8.208 -21.547 922 1HD LYS 124 2HD LYS 124 5.347 -6.364 -21.688 923 2HD LYS 124 1HD LYS 124 4.491 -6.914 -20.248 924 1HE LYS 124 2HE LYS 124 5.860 -5.590 -19.042 925 2HE LYS 124 1HE LYS 124 7.167 -6.703 -19.445 926 1HZ LYS 124 1HZ LYS 124 7.389 -5.390 -21.569 927 2HZ LYS 124 2HZ LYS 124 7.878 -4.597 -20.147 928 3HZ LYS 124 3HZ LYS 124 6.381 -4.224 -20.859 929 H GLN 125 H GLN 125 4.041 -11.283 -23.603 930 HA GLN 125 HA GLN 125 6.570 -12.716 -24.034 931 1HB GLN 125 2HB GLN 125 3.724 -13.715 -24.356 932 2HB GLN 125 1HB GLN 125 5.179 -14.703 -24.210 933 1HG GLN 125 2HG GLN 125 5.533 -13.440 -21.960 934 2HG GLN 125 1HG GLN 125 3.824 -13.027 -22.107 935 1HE2 GLN 125 1HE2 GLN 125 2.270 -14.693 -21.730 936 2HE2 GLN 125 2HE2 GLN 125 2.698 -16.269 -21.266 937 H GLY 126 H GLY 126 3.904 -11.449 -25.961 938 1HA GLY 126 2HA GLY 126 4.245 -10.813 -28.284 939 2HA GLY 126 1HA GLY 126 5.507 -12.041 -28.399 940 H LEU 127 H LEU 127 2.988 -13.365 -26.682 941 HA LEU 127 HA LEU 127 2.303 -15.242 -28.718 942 1HB LEU 127 2HB LEU 127 1.357 -14.575 -25.998 943 2HB LEU 127 1HB LEU 127 0.147 -15.330 -27.038 944 HG LEU 127 HG LEU 127 1.494 -16.999 -25.755 945 1HD1 LEU 127 1HD1 LEU 127 2.379 -17.463 -28.539 946 2HD1 LEU 127 2HD1 LEU 127 0.663 -17.104 -28.351 947 3HD1 LEU 127 3HD1 LEU 127 1.376 -18.469 -27.494 948 1HD2 LEU 127 1HD2 LEU 127 3.765 -16.965 -25.742 949 2HD2 LEU 127 2HD2 LEU 127 3.610 -15.328 -26.378 950 3HD2 LEU 127 3HD2 LEU 127 3.851 -16.683 -27.481 951 H GLU 128 H GLU 128 0.667 -12.279 -27.608 952 HA GLU 128 HA GLU 128 -1.260 -11.222 -28.497 953 1HB GLU 128 2HB GLU 128 0.704 -11.692 -30.708 954 2HB GLU 128 1HB GLU 128 -0.882 -11.041 -31.126 955 1HG GLU 128 2HG GLU 128 -0.546 -9.076 -29.932 956 2HG GLU 128 1HG GLU 128 0.618 -9.821 -28.835 957 H HIS 129 H HIS 129 -2.832 -12.885 -28.004 958 HA HIS 129 HA HIS 129 -3.865 -14.207 -30.451 959 1HB HIS 129 2HB HIS 129 -2.813 -15.575 -28.030 960 2HB HIS 129 1HB HIS 129 -4.330 -16.194 -28.681 961 HD2 HIS 129 HD2 HIS 129 -3.688 -15.925 -31.897 962 HE1 HIS 129 HE1 HIS 129 -0.241 -18.211 -31.049 963 HE2 HIS 129 HE2 HIS 129 -1.788 -17.409 -32.892 964 H HIS 130 H HIS 130 -5.961 -13.592 -30.591 965 HA HIS 130 HA HIS 130 -7.691 -13.741 -28.215 966 1HB HIS 130 2HB HIS 130 -6.562 -11.378 -28.417 967 2HB HIS 130 1HB HIS 130 -7.720 -11.142 -29.727 968 HD2 HIS 130 HD2 HIS 130 -8.065 -12.401 -25.944 969 HE1 HIS 130 HE1 HIS 130 -11.410 -10.028 -26.952 970 HE2 HIS 130 HE2 HIS 130 -10.303 -11.362 -25.100 971 H HIS 131 H HIS 131 -7.583 -12.463 -31.563 972 HA HIS 131 HA HIS 131 -9.778 -14.297 -32.289 973 1HB HIS 131 2HB HIS 131 -10.847 -12.173 -31.421 974 2HB HIS 131 1HB HIS 131 -10.060 -11.314 -32.746 975 HD2 HIS 131 HD2 HIS 131 -12.843 -10.947 -33.709 976 HE1 HIS 131 HE1 HIS 131 -13.092 -14.904 -35.163 977 HE2 HIS 131 HE2 HIS 131 -14.180 -12.613 -35.204 978 H HIS 132 H HIS 132 -10.008 -12.064 -34.575 979 HA HIS 132 HA HIS 132 -7.499 -12.766 -36.010 980 1HB HIS 132 2HB HIS 132 -10.303 -13.239 -37.066 981 2HB HIS 132 1HB HIS 132 -8.838 -13.347 -38.041 982 HD2 HIS 132 HD2 HIS 132 -10.974 -15.694 -36.001 983 HE1 HIS 132 HE1 HIS 132 -7.115 -17.413 -35.945 984 HE2 HIS 132 HE2 HIS 132 -9.568 -17.821 -35.443 985 H HIS 133 H HIS 133 -10.628 -11.075 -36.467 986 HA HIS 133 HA HIS 133 -9.845 -9.165 -38.329 987 1HB HIS 133 2HB HIS 133 -12.057 -9.537 -36.696 988 2HB HIS 133 1HB HIS 133 -11.428 -7.977 -36.167 989 HD2 HIS 133 HD2 HIS 133 -13.251 -9.517 -39.239 990 HE1 HIS 133 HE1 HIS 133 -12.371 -5.497 -40.188 991 HE2 HIS 133 HE2 HIS 133 -13.636 -7.567 -40.928 992 H HIS 134 HN HIS 134 -10.009 -8.302 -34.861 993 HA HIS 134 HA HIS 134 -7.285 -7.416 -34.688 994 1HB HIS 134 2HB HIS 134 -7.435 -5.098 -35.004 995 2HB HIS 134 1HB HIS 134 -8.455 -5.719 -36.302 996 HD2 HIS 134 HD2 HIS 134 -11.341 -5.715 -35.539 997 HE1 HIS 134 HE1 HIS 134 -10.792 -2.574 -32.767 998 HE2 HIS 134 HE2 HIS 134 -12.515 -3.912 -34.063
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