NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582278 | 2mh9 | 19530 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 1HT CYS 1 -2.269 -19.014 -10.578 2 H2 CYS 1 2HT CYS 1 -2.774 -20.528 -11.184 3 H3 CYS 1 3HT CYS 1 -3.697 -19.695 -9.978 4 HA CYS 1 HA CYS 1 -4.060 -17.918 -11.491 5 HB2 CYS 1 2HB CYS 1 -2.891 -19.832 -13.520 6 HB3 CYS 1 1HB CYS 1 -3.529 -18.220 -13.840 7 HG CYS 1 HG CYS 1 -1.332 -17.620 -11.638 8 H LYS 2 H LYS 2 -6.010 -18.337 -10.880 9 HA LYS 2 HA LYS 2 -7.414 -20.736 -11.214 10 HB2 LYS 2 2HB LYS 2 -9.402 -19.520 -10.436 11 HB3 LYS 2 1HB LYS 2 -7.997 -19.173 -9.448 12 HG2 LYS 2 2HG LYS 2 -7.743 -17.032 -10.769 13 HG3 LYS 2 1HG LYS 2 -9.317 -17.383 -11.483 14 HD2 LYS 2 2HD LYS 2 -10.032 -16.112 -9.733 15 HD3 LYS 2 1HD LYS 2 -9.949 -17.662 -8.895 16 HE2 LYS 2 2HE LYS 2 -7.846 -15.488 -8.895 17 HE3 LYS 2 1HE LYS 2 -8.908 -15.926 -7.565 18 HZ1 LYS 2 3HZ LYS 2 -6.546 -16.700 -7.587 19 HZ2 LYS 2 1HZ LYS 2 -6.911 -17.798 -8.725 20 HZ3 LYS 2 2HZ LYS 2 -7.639 -17.935 -7.193 21 H THR 3 H THR 3 -7.552 -21.538 -13.063 22 HA THR 3 HA THR 3 -9.416 -21.295 -14.924 23 HB THR 3 HB THR 3 -8.612 -19.001 -15.594 24 HG1 THR 3 1HG THR 3 -8.665 -21.145 -17.312 25 HG21 THR 3 3HG2 THR 3 -6.215 -19.226 -15.037 26 HG22 THR 3 1HG2 THR 3 -6.421 -18.701 -16.709 27 HG23 THR 3 2HG2 THR 3 -6.014 -20.381 -16.355 28 H LYS 4 H LYS 4 -6.141 -21.747 -14.131 29 HA LYS 4 HA LYS 4 -6.046 -24.296 -15.607 30 HB2 LYS 4 2HB LYS 4 -4.359 -22.709 -16.427 31 HB3 LYS 4 1HB LYS 4 -3.817 -22.418 -14.783 32 HG2 LYS 4 2HG LYS 4 -3.009 -24.727 -14.633 33 HG3 LYS 4 1HG LYS 4 -3.577 -25.036 -16.272 34 HD2 LYS 4 2HD LYS 4 -1.192 -24.619 -16.313 35 HD3 LYS 4 1HD LYS 4 -2.031 -23.292 -17.108 36 HE2 LYS 4 2HE LYS 4 -0.274 -22.392 -15.726 37 HE3 LYS 4 1HE LYS 4 -1.815 -21.963 -15.005 38 HZ1 LYS 4 3HZ LYS 4 -0.258 -22.693 -13.322 39 HZ2 LYS 4 1HZ LYS 4 -0.037 -24.186 -14.060 40 HZ3 LYS 4 2HZ LYS 4 -1.499 -23.737 -13.349 41 H ASP 5 H ASP 5 -5.270 -22.470 -12.713 42 HA ASP 5 HA ASP 5 -4.849 -24.962 -11.206 43 HB2 ASP 5 2HB ASP 5 -4.094 -22.189 -10.297 44 HB3 ASP 5 1HB ASP 5 -3.502 -23.730 -9.703 45 H TYR 6 H TYR 6 -5.685 -24.827 -9.035 46 HA TYR 6 HA TYR 6 -8.146 -23.265 -8.825 47 HB2 TYR 6 2HB TYR 6 -8.613 -24.731 -6.857 48 HB3 TYR 6 1HB TYR 6 -8.364 -25.648 -8.339 49 HD1 TYR 6 2HD TYR 6 -6.323 -27.008 -8.623 50 HD2 TYR 6 1HD TYR 6 -7.081 -24.926 -4.988 51 HE1 TYR 6 2HE TYR 6 -4.612 -28.364 -7.494 52 HE2 TYR 6 1HE TYR 6 -5.372 -26.280 -3.852 53 HH TYR 6 HH TYR 6 -4.260 -28.453 -4.124 54 H LYS 7 H LYS 7 -5.113 -22.756 -8.338 55 HA LYS 7 HA LYS 7 -4.837 -21.939 -5.625 56 HB2 LYS 7 2HB LYS 7 -2.910 -22.542 -7.146 57 HB3 LYS 7 1HB LYS 7 -3.171 -21.017 -7.984 58 HG2 LYS 7 2HG LYS 7 -3.011 -20.146 -5.433 59 HG3 LYS 7 1HG LYS 7 -1.950 -21.546 -5.354 60 HD2 LYS 7 2HD LYS 7 -0.569 -20.637 -7.138 61 HD3 LYS 7 1HD LYS 7 -1.691 -19.287 -7.354 62 HE2 LYS 7 2HE LYS 7 -1.271 -18.706 -4.926 63 HE3 LYS 7 1HE LYS 7 0.033 -19.881 -4.953 64 HZ1 LYS 7 3HZ LYS 7 1.145 -18.545 -6.647 65 HZ2 LYS 7 1HZ LYS 7 0.789 -17.655 -5.251 66 HZ3 LYS 7 2HZ LYS 7 -0.155 -17.469 -6.681 67 H THR 8 H THR 8 -4.991 -19.937 -4.753 68 HA THR 8 HA THR 8 -5.735 -17.687 -6.450 69 HB THR 8 HB THR 8 -6.399 -18.193 -3.503 70 HG1 THR 8 1HG THR 8 -7.802 -19.406 -4.664 71 HG21 THR 8 3HG2 THR 8 -7.294 -15.947 -5.345 72 HG22 THR 8 1HG2 THR 8 -6.127 -15.774 -4.036 73 HG23 THR 8 2HG2 THR 8 -7.806 -16.169 -3.670 74 H ARG 9 H ARG 9 -4.704 -15.531 -5.311 75 HA ARG 9 HA ARG 9 -2.000 -16.482 -5.394 76 HB2 ARG 9 2HB ARG 9 -2.707 -14.870 -7.003 77 HB3 ARG 9 1HB ARG 9 -3.103 -13.709 -5.731 78 HG2 ARG 9 2HG ARG 9 -0.738 -13.812 -5.012 79 HG3 ARG 9 1HG ARG 9 -0.414 -14.847 -6.406 80 HD2 ARG 9 2HD ARG 9 -1.148 -13.046 -7.904 81 HD3 ARG 9 1HD ARG 9 -1.460 -12.020 -6.505 82 HE ARG 9 HE ARG 9 1.259 -13.040 -6.785 83 HH11 ARG 9 1HH1 ARG 9 -0.898 -10.191 -7.128 84 HH12 ARG 9 2HH1 ARG 9 0.417 -9.131 -7.232 85 HH21 ARG 9 1HH2 ARG 9 3.001 -11.479 -7.093 86 HH22 ARG 9 2HH2 ARG 9 2.578 -9.848 -7.298 87 H ASP 10 H ASP 10 -0.786 -16.537 -3.768 88 HA ASP 10 HA ASP 10 -1.389 -15.180 -1.355 89 HB2 ASP 10 2HB ASP 10 0.716 -16.232 -0.592 90 HB3 ASP 10 1HB ASP 10 -0.313 -17.430 -1.355 91 H VAL 11 H VAL 11 -1.022 -13.098 -1.369 92 HA VAL 11 HA VAL 11 0.939 -12.108 -3.259 93 HB VAL 11 HB VAL 11 0.356 -9.768 -2.387 94 HG11 VAL 11 1HG1 VAL 11 -1.778 -11.421 -3.710 95 HG12 VAL 11 2HG1 VAL 11 -0.440 -10.561 -4.497 96 HG13 VAL 11 3HG1 VAL 11 -1.699 -9.654 -3.654 97 HG21 VAL 11 3HG2 VAL 11 -0.574 -10.545 -0.345 98 HG22 VAL 11 1HG2 VAL 11 -1.912 -11.314 -1.199 99 HG23 VAL 11 2HG2 VAL 11 -1.744 -9.532 -1.233 100 H THR 12 H THR 12 2.516 -13.219 -2.273 101 HA THR 12 HA THR 12 3.510 -11.766 0.029 102 HB THR 12 HB THR 12 4.730 -13.535 0.654 103 HG1 THR 12 1HG THR 12 3.927 -15.329 -1.472 104 HG21 THR 12 3HG2 THR 12 2.307 -13.704 0.979 105 HG22 THR 12 1HG2 THR 12 3.056 -15.324 0.962 106 HG23 THR 12 2HG2 THR 12 2.214 -14.714 -0.453 107 H ASP 13 H ASP 13 4.296 -12.917 -3.155 108 HA ASP 13 HA ASP 13 6.883 -11.805 -3.327 109 HB2 ASP 13 2HB ASP 13 6.626 -12.218 -5.744 110 HB3 ASP 13 1HB ASP 13 6.059 -13.610 -4.830 111 H ASP 14 H ASP 14 3.646 -10.757 -3.980 112 HA ASP 14 HA ASP 14 4.185 -8.300 -5.320 113 HB2 ASP 14 2HB ASP 14 2.021 -9.671 -5.206 114 HB3 ASP 14 1HB ASP 14 1.798 -8.977 -3.610 115 H VAL 15 H VAL 15 3.147 -9.124 -2.099 116 HA VAL 15 HA VAL 15 3.285 -6.575 -1.003 117 HB VAL 15 HB VAL 15 3.099 -9.315 0.284 118 HG11 VAL 15 1HG1 VAL 15 4.165 -7.722 1.894 119 HG12 VAL 15 2HG1 VAL 15 2.519 -8.131 2.381 120 HG13 VAL 15 3HG1 VAL 15 2.852 -6.581 1.610 121 HG21 VAL 15 3HG2 VAL 15 0.793 -8.617 0.641 122 HG22 VAL 15 1HG2 VAL 15 1.204 -8.522 -1.065 123 HG23 VAL 15 2HG2 VAL 15 1.126 -7.052 -0.101 124 H LYS 16 H LYS 16 5.716 -9.171 -0.999 125 HA LYS 16 HA LYS 16 7.415 -7.831 0.826 126 HB2 LYS 16 2HB LYS 16 7.543 -10.224 0.363 127 HB3 LYS 16 1HB LYS 16 8.138 -9.870 -1.239 128 HG2 LYS 16 2HG LYS 16 10.227 -9.333 -0.539 129 HG3 LYS 16 1HG LYS 16 9.657 -8.668 0.997 130 HD2 LYS 16 2HD LYS 16 9.484 -11.576 0.385 131 HD3 LYS 16 1HD LYS 16 10.968 -10.866 1.060 132 HE2 LYS 16 2HE LYS 16 8.256 -10.475 2.316 133 HE3 LYS 16 1HE LYS 16 9.289 -11.852 2.747 134 HZ1 LYS 16 3HZ LYS 16 9.554 -9.998 4.295 135 HZ2 LYS 16 1HZ LYS 16 9.949 -8.956 3.028 136 HZ3 LYS 16 2HZ LYS 16 10.975 -10.234 3.441 137 H SER 17 H SER 17 7.145 -7.743 -2.663 138 HA SER 17 HA SER 17 9.397 -6.133 -3.132 139 HB2 SER 17 2HB SER 17 6.771 -6.249 -4.649 140 HB3 SER 17 1HB SER 17 8.279 -5.563 -5.264 141 HG SER 17 HG SER 17 7.549 -8.233 -4.883 142 H ILE 18 H ILE 18 6.005 -5.309 -2.470 143 HA ILE 18 HA ILE 18 6.130 -2.538 -2.448 144 HB ILE 18 HB ILE 18 4.501 -4.476 -0.805 145 HG12 ILE 18 2HG1 ILE 18 3.745 -2.747 -3.176 146 HG13 ILE 18 1HG1 ILE 18 4.067 -4.475 -3.226 147 HG21 ILE 18 1HG2 ILE 18 4.153 -1.486 -0.877 148 HG22 ILE 18 2HG2 ILE 18 4.654 -2.493 0.487 149 HG23 ILE 18 3HG2 ILE 18 3.016 -2.644 -0.157 150 HD11 ILE 18 3HD1 ILE 18 1.683 -4.014 -3.280 151 HD12 ILE 18 1HD1 ILE 18 1.802 -3.138 -1.753 152 HD13 ILE 18 2HD1 ILE 18 2.115 -4.872 -1.801 153 H VAL 19 H VAL 19 6.539 -4.787 0.222 154 HA VAL 19 HA VAL 19 7.101 -2.995 2.254 155 HB VAL 19 HB VAL 19 7.950 -5.855 1.922 156 HG11 VAL 19 1HG1 VAL 19 8.028 -4.114 4.412 157 HG12 VAL 19 2HG1 VAL 19 9.449 -4.698 3.546 158 HG13 VAL 19 3HG1 VAL 19 8.387 -5.843 4.372 159 HG21 VAL 19 3HG2 VAL 19 5.598 -5.340 2.000 160 HG22 VAL 19 1HG2 VAL 19 5.845 -4.539 3.553 161 HG23 VAL 19 2HG2 VAL 19 6.132 -6.306 3.390 162 H ARG 20 H ARG 20 9.348 -4.632 0.057 163 HA ARG 20 HA ARG 20 11.736 -3.820 1.204 164 HB2 ARG 20 2HB ARG 20 11.773 -5.329 -0.702 165 HB3 ARG 20 1HB ARG 20 11.091 -4.077 -1.746 166 HG2 ARG 20 2HG ARG 20 13.115 -2.676 -1.059 167 HG3 ARG 20 1HG ARG 20 13.803 -4.187 -0.498 168 HD2 ARG 20 2HD ARG 20 13.972 -5.035 -2.662 169 HD3 ARG 20 1HD ARG 20 12.782 -3.885 -3.303 170 HE ARG 20 HE ARG 20 14.914 -2.514 -2.118 171 HH11 ARG 20 1HH1 ARG 20 14.440 -4.425 -5.026 172 HH12 ARG 20 2HH1 ARG 20 15.392 -3.406 -6.024 173 HH21 ARG 20 1HH2 ARG 20 16.032 -1.098 -3.368 174 HH22 ARG 20 2HH2 ARG 20 16.403 -1.373 -5.009 175 H PHE 21 H PHE 21 9.810 -2.174 -1.242 176 HA PHE 21 HA PHE 21 11.578 0.013 -1.471 177 HB2 PHE 21 2HB PHE 21 8.760 -0.352 -2.378 178 HB3 PHE 21 1HB PHE 21 9.643 1.150 -2.623 179 HD1 PHE 21 2HD PHE 21 11.880 0.986 -3.775 180 HD2 PHE 21 1HD PHE 21 8.968 -2.053 -3.877 181 HE1 PHE 21 2HE PHE 21 12.910 0.101 -5.843 182 HE2 PHE 21 1HE PHE 21 9.934 -2.964 -5.934 183 HZ PHE 21 HZ PHE 21 11.932 -1.892 -6.931 184 H VAL 22 H VAL 22 8.600 -0.381 0.391 185 HA VAL 22 HA VAL 22 8.727 2.313 1.128 186 HB VAL 22 HB VAL 22 6.974 1.827 2.822 187 HG11 VAL 22 1HG1 VAL 22 6.456 0.695 0.077 188 HG12 VAL 22 2HG1 VAL 22 6.326 2.388 0.558 189 HG13 VAL 22 3HG1 VAL 22 5.212 1.195 1.224 190 HG21 VAL 22 3HG2 VAL 22 7.220 -0.993 1.818 191 HG22 VAL 22 1HG2 VAL 22 5.962 -0.415 2.917 192 HG23 VAL 22 2HG2 VAL 22 7.660 -0.434 3.431 193 H GLN 23 H GLN 23 9.922 -0.660 2.592 194 HA GLN 23 HA GLN 23 10.737 0.412 5.059 195 HB2 GLN 23 2HB GLN 23 10.584 -2.023 4.474 196 HB3 GLN 23 1HB GLN 23 12.038 -1.836 3.511 197 HG2 GLN 23 2HG GLN 23 12.607 -2.811 5.623 198 HG3 GLN 23 1HG GLN 23 13.258 -1.174 5.558 199 HE21 GLN 23 1HE2 GLN 23 10.870 -3.244 6.990 200 HE22 GLN 23 2HE2 GLN 23 10.446 -2.150 8.270 201 H GLU 24 H GLU 24 12.547 0.056 1.953 202 HA GLU 24 HA GLU 24 14.789 1.393 3.144 203 HB2 GLU 24 2HB GLU 24 15.928 1.184 0.973 204 HB3 GLU 24 1HB GLU 24 15.286 -0.349 1.522 205 HG2 GLU 24 2HG GLU 24 13.382 -0.045 -0.037 206 HG3 GLU 24 1HG GLU 24 14.157 1.423 -0.634 207 H HIS 25 H HIS 25 11.953 2.516 1.984 208 HA HIS 25 HA HIS 25 12.949 4.913 0.762 209 HB2 HIS 25 2HB HIS 25 10.729 3.877 0.211 210 HB3 HIS 25 1HB HIS 25 10.125 4.458 1.758 211 HD1 HIS 25 1HD HIS 25 9.145 6.746 1.735 212 HD2 HIS 25 2HD HIS 25 11.688 6.140 -1.479 213 HE1 HIS 25 1HE HIS 25 8.990 8.840 0.349 214 HE2 HIS 25 2HE HIS 25 10.969 8.579 -1.127 215 H SER 26 H SER 26 13.937 4.398 3.357 216 HA SER 26 HA SER 26 12.977 6.411 5.155 217 HB2 SER 26 2HB SER 26 14.374 4.503 5.949 218 HB3 SER 26 1HB SER 26 15.723 5.096 4.984 219 HG SER 26 HG SER 26 15.030 7.127 6.413 220 H SER 27 H SER 27 14.757 6.337 2.302 221 HA SER 27 HA SER 27 15.140 9.207 2.377 222 HB2 SER 27 2HB SER 27 17.357 8.040 2.698 223 HB3 SER 27 1HB SER 27 17.095 7.199 1.171 224 HG SER 27 HG SER 27 18.355 9.350 1.348 225 H SER 28 H SER 28 15.685 9.571 -0.279 226 HA SER 28 HA SER 28 13.706 7.956 -1.680 227 HB2 SER 28 2HB SER 28 13.708 10.981 -1.654 228 HB3 SER 28 1HB SER 28 12.710 9.980 -2.712 229 HG SER 28 HG SER 28 12.665 10.201 0.087 230 H GLN 29 H GLN 29 13.919 7.899 -3.901 231 HA GLN 29 HA GLN 29 16.606 7.978 -4.840 232 HB2 GLN 29 2HB GLN 29 14.004 7.598 -6.332 233 HB3 GLN 29 1HB GLN 29 15.607 7.232 -6.954 234 HG2 GLN 29 2HG GLN 29 15.891 5.449 -5.410 235 HG3 GLN 29 1HG GLN 29 14.451 5.922 -4.510 236 HE21 GLN 29 1HE2 GLN 29 15.654 4.363 -7.360 237 HE22 GLN 29 2HE2 GLN 29 14.137 3.678 -7.833 238 H GLY 30 H GLY 30 17.602 9.761 -5.539 239 HA2 GLY 30 2HA GLY 30 16.331 12.249 -5.913 240 HA3 GLY 30 1HA GLY 30 17.982 11.865 -6.374 241 H MET 31 H MET 31 16.887 9.639 -8.054 242 HA MET 31 HA MET 31 16.735 11.098 -10.504 243 HB2 MET 31 2HB MET 31 16.333 8.128 -10.091 244 HB3 MET 31 1HB MET 31 16.663 8.934 -11.609 245 HG2 MET 31 2HG MET 31 18.695 7.954 -10.973 246 HG3 MET 31 1HG MET 31 18.871 9.662 -10.588 247 HE1 MET 31 3HE MET 31 18.486 6.025 -9.211 248 HE2 MET 31 1HE MET 31 16.979 6.745 -8.642 249 HE3 MET 31 2HE MET 31 18.229 6.287 -7.487 250 H ARG 32 H ARG 32 14.426 10.725 -8.315 251 HA ARG 32 HA ARG 32 12.165 9.748 -9.624 252 HB2 ARG 32 2HB ARG 32 10.853 11.139 -8.015 253 HB3 ARG 32 1HB ARG 32 12.101 10.174 -7.242 254 HG2 ARG 32 2HG ARG 32 13.522 12.143 -7.049 255 HG3 ARG 32 1HG ARG 32 12.312 13.111 -7.889 256 HD2 ARG 32 2HD ARG 32 11.950 11.716 -5.241 257 HD3 ARG 32 1HD ARG 32 12.199 13.446 -5.469 258 HE ARG 32 HE ARG 32 9.823 11.894 -6.169 259 HH11 ARG 32 1HH1 ARG 32 11.350 15.080 -5.806 260 HH12 ARG 32 2HH1 ARG 32 9.864 15.922 -5.989 261 HH21 ARG 32 1HH2 ARG 32 7.843 13.107 -6.409 262 HH22 ARG 32 2HH2 ARG 32 7.893 14.804 -6.333 263 H ASN 33 H ASN 33 13.558 12.955 -9.586 264 HA ASN 33 HA ASN 33 13.351 14.832 -10.775 265 HB2 ASN 33 2HB ASN 33 14.336 13.484 -12.501 266 HB3 ASN 33 1HB ASN 33 12.760 12.875 -12.985 267 HD21 ASN 33 1HD2 ASN 33 13.020 13.594 -15.079 268 HD22 ASN 33 2HD2 ASN 33 12.942 15.267 -15.516 269 H ILE 34 H ILE 34 10.644 12.968 -12.042 270 HA ILE 34 HA ILE 34 9.205 14.765 -13.388 271 HB ILE 34 HB ILE 34 7.885 12.728 -11.580 272 HG12 ILE 34 2HG1 ILE 34 8.882 12.453 -14.433 273 HG13 ILE 34 1HG1 ILE 34 9.658 11.753 -13.022 274 HG21 ILE 34 1HG2 ILE 34 6.071 12.754 -13.247 275 HG22 ILE 34 2HG2 ILE 34 6.917 14.008 -14.149 276 HG23 ILE 34 3HG2 ILE 34 6.297 14.353 -12.536 277 HD11 ILE 34 3HD1 ILE 34 7.687 10.344 -12.643 278 HD12 ILE 34 1HD1 ILE 34 8.380 10.091 -14.244 279 HD13 ILE 34 2HD1 ILE 34 6.914 11.055 -14.057 280 H LYS 35 H LYS 35 7.912 14.159 -10.104 281 HA LYS 35 HA LYS 35 6.893 16.842 -10.329 282 HB2 LYS 35 2HB LYS 35 6.065 14.645 -8.453 283 HB3 LYS 35 1HB LYS 35 5.468 16.295 -8.320 284 HG2 LYS 35 2HG LYS 35 4.571 16.143 -10.610 285 HG3 LYS 35 1HG LYS 35 5.136 14.474 -10.697 286 HD2 LYS 35 2HD LYS 35 3.707 13.866 -8.860 287 HD3 LYS 35 1HD LYS 35 3.153 15.540 -8.695 288 HE2 LYS 35 2HE LYS 35 2.172 15.411 -10.930 289 HE3 LYS 35 1HE LYS 35 2.771 13.760 -11.105 290 HZ1 LYS 35 3HZ LYS 35 0.714 14.689 -9.149 291 HZ2 LYS 35 1HZ LYS 35 1.412 13.150 -9.171 292 HZ3 LYS 35 2HZ LYS 35 0.497 13.658 -10.469 293 H HIS 36 H HIS 36 8.803 17.718 -10.120 294 HA HIS 36 HA HIS 36 9.855 17.941 -7.381 295 HB2 HIS 36 2HB HIS 36 11.830 19.062 -8.362 296 HB3 HIS 36 1HB HIS 36 11.562 17.499 -9.111 297 HD1 HIS 36 1HD HIS 36 11.381 21.181 -9.815 298 HD2 HIS 36 2HD HIS 36 11.094 17.585 -11.873 299 HE1 HIS 36 1HE HIS 36 11.501 21.785 -12.269 300 HE2 HIS 36 2HE HIS 36 11.575 19.549 -13.447 301 H VAL 37 H VAL 37 7.353 19.071 -8.429 302 HA VAL 37 HA VAL 37 7.695 21.774 -7.483 303 HB VAL 37 HB VAL 37 6.113 22.629 -9.259 304 HG11 VAL 37 1HG1 VAL 37 7.756 22.827 -11.070 305 HG12 VAL 37 2HG1 VAL 37 8.724 21.556 -10.319 306 HG13 VAL 37 3HG1 VAL 37 8.487 23.092 -9.486 307 HG21 VAL 37 3HG2 VAL 37 5.844 21.351 -11.349 308 HG22 VAL 37 1HG2 VAL 37 5.140 20.505 -9.969 309 HG23 VAL 37 2HG2 VAL 37 6.697 19.992 -10.618 310 H GLY 38 H GLY 38 5.876 22.481 -6.371 311 HA2 GLY 38 2HA GLY 38 3.485 22.328 -5.987 312 HA3 GLY 38 1HA GLY 38 3.630 20.591 -6.240 313 HA PRO 39 HA PRO 39 4.156 21.603 -1.668 314 HB2 PRO 39 2HB PRO 39 1.782 20.727 -0.719 315 HB3 PRO 39 1HB PRO 39 1.979 22.386 -1.322 316 HG2 PRO 39 2HG PRO 39 0.778 20.038 -2.689 317 HG3 PRO 39 1HG PRO 39 0.236 21.728 -2.665 318 HD2 PRO 39 2HD PRO 39 1.619 20.653 -4.746 319 HD3 PRO 39 1HD PRO 39 1.692 22.369 -4.306 320 H SER 40 H SER 40 4.041 19.923 0.141 321 HA SER 40 HA SER 40 5.140 17.502 -0.774 322 HB2 SER 40 2HB SER 40 5.146 17.160 1.790 323 HB3 SER 40 1HB SER 40 6.117 18.469 1.107 324 HG SER 40 HG SER 40 4.639 18.953 2.965 325 H GLY 41 H GLY 41 4.311 15.537 0.933 326 HA2 GLY 41 2HA GLY 41 1.438 15.290 0.627 327 HA3 GLY 41 1HA GLY 41 2.469 14.097 -0.157 328 H ARG 42 H ARG 42 1.053 12.761 1.401 329 HA ARG 42 HA ARG 42 2.495 12.387 3.856 330 HB2 ARG 42 2HB ARG 42 -0.497 12.538 3.467 331 HB3 ARG 42 1HB ARG 42 0.269 11.844 4.891 332 HG2 ARG 42 2HG ARG 42 1.355 14.001 5.344 333 HG3 ARG 42 1HG ARG 42 0.550 14.686 3.935 334 HD2 ARG 42 2HD ARG 42 -0.888 13.413 6.201 335 HD3 ARG 42 1HD ARG 42 -0.491 15.143 6.176 336 HE ARG 42 HE ARG 42 -1.797 14.736 3.861 337 HH11 ARG 42 1HH1 ARG 42 -2.674 13.795 7.187 338 HH12 ARG 42 2HH1 ARG 42 -4.319 14.146 7.027 339 HH21 ARG 42 1HH2 ARG 42 -4.146 15.232 3.633 340 HH22 ARG 42 2HH2 ARG 42 -5.179 14.973 4.955 341 H PHE 43 H PHE 43 1.967 10.120 4.622 342 HA PHE 43 HA PHE 43 1.923 8.416 2.237 343 HB2 PHE 43 2HB PHE 43 3.309 7.959 4.894 344 HB3 PHE 43 1HB PHE 43 3.257 6.803 3.577 345 HD1 PHE 43 2HD PHE 43 4.263 10.336 4.243 346 HD2 PHE 43 1HD PHE 43 5.008 6.755 2.075 347 HE1 PHE 43 2HE PHE 43 6.245 11.365 3.266 348 HE2 PHE 43 1HE PHE 43 7.017 7.773 1.089 349 HZ PHE 43 HZ PHE 43 7.647 10.081 1.683 350 H THR 44 H THR 44 -0.155 8.055 2.111 351 HA THR 44 HA THR 44 -1.345 6.503 4.264 352 HB THR 44 HB THR 44 -3.535 7.343 3.440 353 HG1 THR 44 1HG THR 44 -3.544 8.984 1.872 354 HG21 THR 44 3HG2 THR 44 -1.571 9.577 4.004 355 HG22 THR 44 1HG2 THR 44 -2.386 8.603 5.225 356 HG23 THR 44 2HG2 THR 44 -3.322 9.674 4.187 357 H MET 45 H MET 45 -2.900 4.892 3.383 358 HA MET 45 HA MET 45 -1.611 3.165 1.661 359 HB2 MET 45 2HB MET 45 -3.597 1.757 1.708 360 HB3 MET 45 1HB MET 45 -3.258 2.396 3.304 361 HG2 MET 45 2HG MET 45 -5.398 3.373 1.416 362 HG3 MET 45 1HG MET 45 -5.650 2.348 2.825 363 HE1 MET 45 3HE MET 45 -7.289 5.739 3.925 364 HE2 MET 45 1HE MET 45 -7.521 3.999 3.750 365 HE3 MET 45 2HE MET 45 -7.313 5.011 2.320 366 H ASN 46 H ASN 46 -4.231 5.411 0.870 367 HA ASN 46 HA ASN 46 -4.431 4.356 -1.759 368 HB2 ASN 46 2HB ASN 46 -5.677 6.805 -0.536 369 HB3 ASN 46 1HB ASN 46 -5.807 6.486 -2.260 370 HD21 ASN 46 1HD2 ASN 46 -7.949 6.077 -2.357 371 HD22 ASN 46 2HD2 ASN 46 -8.708 4.704 -1.650 372 H MET 47 H MET 47 -2.357 6.708 -0.400 373 HA MET 47 HA MET 47 -1.663 7.967 -2.881 374 HB2 MET 47 2HB MET 47 -0.162 7.777 -0.253 375 HB3 MET 47 1HB MET 47 0.422 8.683 -1.637 376 HG2 MET 47 2HG MET 47 -2.150 9.206 -0.166 377 HG3 MET 47 1HG MET 47 -0.646 10.098 0.051 378 HE1 MET 47 3HE MET 47 -1.989 12.363 -0.380 379 HE2 MET 47 1HE MET 47 -3.475 11.444 -0.623 380 HE3 MET 47 2HE MET 47 -2.980 12.651 -1.810 381 H LEU 48 H LEU 48 -0.529 5.277 -0.985 382 HA LEU 48 HA LEU 48 1.746 4.653 -2.541 383 HB2 LEU 48 2HB LEU 48 0.074 2.852 -0.794 384 HB3 LEU 48 1HB LEU 48 1.692 2.497 -1.371 385 HG LEU 48 HG LEU 48 0.894 4.642 0.596 386 HD11 LEU 48 1HD1 LEU 48 2.464 2.106 0.936 387 HD12 LEU 48 2HD1 LEU 48 0.830 2.422 1.522 388 HD13 LEU 48 3HD1 LEU 48 2.195 3.326 2.179 389 HD21 LEU 48 3HD2 LEU 48 2.766 5.429 -0.767 390 HD22 LEU 48 1HD2 LEU 48 3.647 3.934 -0.441 391 HD23 LEU 48 2HD2 LEU 48 3.293 5.061 0.871 392 H VAL 49 H VAL 49 -1.687 3.848 -2.814 393 HA VAL 49 HA VAL 49 -1.633 1.741 -4.552 394 HB VAL 49 HB VAL 49 -3.520 3.961 -3.845 395 HG11 VAL 49 1HG1 VAL 49 -3.970 1.677 -5.674 396 HG12 VAL 49 2HG1 VAL 49 -3.965 3.416 -6.045 397 HG13 VAL 49 3HG1 VAL 49 -5.239 2.733 -5.002 398 HG21 VAL 49 3HG2 VAL 49 -3.457 1.034 -3.292 399 HG22 VAL 49 1HG2 VAL 49 -4.734 2.162 -2.781 400 HG23 VAL 49 2HG2 VAL 49 -3.068 2.364 -2.199 401 H ASP 50 H ASP 50 -2.025 5.164 -5.034 402 HA ASP 50 HA ASP 50 -2.203 5.088 -7.866 403 HB2 ASP 50 2HB ASP 50 -2.902 7.022 -6.313 404 HB3 ASP 50 1HB ASP 50 -1.208 7.493 -6.313 405 H ILE 51 H ILE 51 0.470 5.541 -5.685 406 HA ILE 51 HA ILE 51 2.516 5.963 -7.571 407 HB ILE 51 HB ILE 51 2.555 4.870 -4.754 408 HG12 ILE 51 2HG1 ILE 51 3.549 7.452 -5.907 409 HG13 ILE 51 1HG1 ILE 51 1.979 7.275 -5.122 410 HG21 ILE 51 1HG2 ILE 51 4.474 3.886 -5.823 411 HG22 ILE 51 2HG2 ILE 51 5.027 5.243 -4.811 412 HG23 ILE 51 3HG2 ILE 51 4.861 5.437 -6.559 413 HD11 ILE 51 3HD1 ILE 51 3.616 8.288 -3.700 414 HD12 ILE 51 1HD1 ILE 51 4.691 6.910 -3.908 415 HD13 ILE 51 2HD1 ILE 51 3.154 6.705 -3.047 416 H PHE 52 H PHE 52 1.350 3.004 -6.043 417 HA PHE 52 HA PHE 52 3.155 1.143 -6.956 418 HB2 PHE 52 2HB PHE 52 1.424 0.784 -5.228 419 HB3 PHE 52 1HB PHE 52 0.190 0.791 -6.471 420 HD1 PHE 52 1HD PHE 52 3.410 -0.986 -5.791 421 HD2 PHE 52 2HD PHE 52 -0.660 -1.268 -6.996 422 HE1 PHE 52 1HE PHE 52 3.625 -3.429 -5.923 423 HE2 PHE 52 2HE PHE 52 -0.451 -3.709 -7.138 424 HZ PHE 52 HZ PHE 52 1.694 -4.797 -6.599 425 H LEU 53 H LEU 53 0.225 2.272 -8.554 426 HA LEU 53 HA LEU 53 0.566 0.540 -10.819 427 HB2 LEU 53 2HB LEU 53 -1.363 2.629 -10.051 428 HB3 LEU 53 1HB LEU 53 -1.152 2.365 -11.766 429 HG LEU 53 HG LEU 53 -1.805 0.026 -11.502 430 HD11 LEU 53 1HD1 LEU 53 -1.053 -0.445 -9.299 431 HD12 LEU 53 2HD1 LEU 53 -2.776 -0.763 -9.465 432 HD13 LEU 53 3HD1 LEU 53 -2.232 0.686 -8.600 433 HD21 LEU 53 3HD2 LEU 53 -3.514 1.612 -12.026 434 HD22 LEU 53 1HD2 LEU 53 -3.717 1.991 -10.306 435 HD23 LEU 53 2HD2 LEU 53 -4.118 0.384 -10.900 436 H GLY 54 H GLY 54 1.818 3.622 -10.014 437 HA2 GLY 54 2HA GLY 54 3.370 4.859 -11.273 438 HA3 GLY 54 1HA GLY 54 3.024 3.826 -12.663 439 H SER 55 H SER 55 0.636 5.306 -10.687 440 HA SER 55 HA SER 55 -0.663 6.472 -12.921 441 HB2 SER 55 2HB SER 55 -1.751 5.374 -10.873 442 HB3 SER 55 1HB SER 55 -1.197 6.752 -9.995 443 HG SER 55 HG SER 55 -2.995 7.476 -10.450 444 H LYS 56 H LYS 56 -1.544 8.871 -12.096 445 HA LYS 56 HA LYS 56 1.005 10.261 -11.831 446 HB2 LYS 56 2HB LYS 56 -1.050 11.003 -13.920 447 HB3 LYS 56 1HB LYS 56 0.570 11.689 -13.731 448 HG2 LYS 56 2HG LYS 56 1.488 9.375 -14.031 449 HG3 LYS 56 1HG LYS 56 -0.125 8.855 -14.452 450 HD2 LYS 56 2HD LYS 56 -0.040 10.464 -16.356 451 HD3 LYS 56 1HD LYS 56 1.661 10.752 -15.946 452 HE2 LYS 56 2HE LYS 56 0.383 8.150 -16.791 453 HE3 LYS 56 1HE LYS 56 1.659 9.043 -17.615 454 HZ1 LYS 56 3HZ LYS 56 1.927 7.628 -14.985 455 HZ2 LYS 56 1HZ LYS 56 3.150 8.535 -15.719 456 HZ3 LYS 56 2HZ LYS 56 2.568 7.125 -16.441 457 H SER 57 H SER 57 -1.460 9.872 -10.076 458 HA SER 57 HA SER 57 -2.072 12.661 -9.499 459 HB2 SER 57 2HB SER 57 -2.749 10.306 -7.730 460 HB3 SER 57 1HB SER 57 -3.667 11.792 -7.974 461 HG SER 57 HG SER 57 -3.608 9.445 -9.341 462 H ALA 58 H ALA 58 -0.361 9.826 -8.420 463 HA ALA 58 HA ALA 58 0.772 10.221 -6.056 464 HB1 ALA 58 1HB ALA 58 0.891 8.253 -7.500 465 HB2 ALA 58 2HB ALA 58 2.484 8.744 -6.909 466 HB3 ALA 58 3HB ALA 58 1.992 9.112 -8.561 467 H LYS 59 H LYS 59 2.399 11.408 -5.234 468 HA LYS 59 HA LYS 59 3.841 13.166 -7.096 469 HB2 LYS 59 2HB LYS 59 3.002 13.786 -4.274 470 HB3 LYS 59 1HB LYS 59 4.005 14.824 -5.271 471 HG2 LYS 59 2HG LYS 59 2.081 14.938 -6.896 472 HG3 LYS 59 1HG LYS 59 1.110 14.110 -5.679 473 HD2 LYS 59 2HD LYS 59 2.525 16.758 -5.315 474 HD3 LYS 59 1HD LYS 59 0.796 16.542 -5.576 475 HE2 LYS 59 2HE LYS 59 0.605 15.345 -3.466 476 HE3 LYS 59 1HE LYS 59 2.347 15.454 -3.224 477 HZ1 LYS 59 3HZ LYS 59 0.472 17.766 -3.318 478 HZ2 LYS 59 1HZ LYS 59 2.161 17.841 -3.167 479 HZ3 LYS 59 2HZ LYS 59 1.290 17.140 -1.953 480 H ILE 60 H ILE 60 4.531 10.477 -5.811 481 HA ILE 60 HA ILE 60 6.847 11.565 -4.475 482 HB ILE 60 HB ILE 60 5.722 8.789 -4.035 483 HG12 ILE 60 2HG1 ILE 60 5.961 11.202 -2.214 484 HG13 ILE 60 1HG1 ILE 60 4.489 10.658 -3.001 485 HG21 ILE 60 1HG2 ILE 60 8.174 10.030 -2.764 486 HG22 ILE 60 2HG2 ILE 60 8.168 8.675 -3.892 487 HG23 ILE 60 3HG2 ILE 60 7.441 8.494 -2.294 488 HD11 ILE 60 3HD1 ILE 60 4.567 8.592 -1.685 489 HD12 ILE 60 1HD1 ILE 60 4.528 10.027 -0.662 490 HD13 ILE 60 2HD1 ILE 60 6.042 9.159 -0.902 491 H GLN 61 H GLN 61 6.208 8.936 -6.755 492 HA GLN 61 HA GLN 61 7.432 8.035 -8.413 493 HB2 GLN 61 2HB GLN 61 8.883 10.697 -8.375 494 HB3 GLN 61 1HB GLN 61 9.097 9.488 -9.636 495 HG2 GLN 61 2HG GLN 61 7.583 10.993 -10.550 496 HG3 GLN 61 1HG GLN 61 6.553 9.695 -9.956 497 HE21 GLN 61 1HE2 GLN 61 4.740 10.829 -9.555 498 HE22 GLN 61 2HE2 GLN 61 4.657 12.083 -8.370 499 H SER 62 H SER 62 8.313 7.546 -5.699 500 HA SER 62 HA SER 62 10.911 6.488 -6.411 501 HB2 SER 62 2HB SER 62 11.250 8.614 -5.106 502 HB3 SER 62 1HB SER 62 10.326 7.908 -3.784 503 HG SER 62 HG SER 62 12.330 6.291 -4.650 504 H GLY 63 H GLY 63 11.026 4.397 -5.873 505 HA2 GLY 63 2HA GLY 63 10.676 2.602 -4.344 506 HA3 GLY 63 1HA GLY 63 9.154 3.350 -3.872 507 H ILE 64 H ILE 64 7.699 1.914 -4.386 508 HA ILE 64 HA ILE 64 7.696 0.182 -6.642 509 HB ILE 64 HB ILE 64 5.155 0.076 -5.970 510 HG12 ILE 64 2HG1 ILE 64 6.454 0.985 -3.391 511 HG13 ILE 64 1HG1 ILE 64 5.311 1.945 -4.332 512 HG21 ILE 64 1HG2 ILE 64 5.674 -1.755 -4.465 513 HG22 ILE 64 2HG2 ILE 64 7.367 -1.242 -4.489 514 HG23 ILE 64 3HG2 ILE 64 6.570 -1.765 -5.986 515 HD11 ILE 64 3HD1 ILE 64 4.765 -0.682 -2.972 516 HD12 ILE 64 1HD1 ILE 64 3.593 0.255 -3.900 517 HD13 ILE 64 2HD1 ILE 64 4.259 0.911 -2.401 518 H PHE 65 H PHE 65 7.804 2.993 -7.384 519 HA PHE 65 HA PHE 65 5.231 3.754 -8.349 520 HB2 PHE 65 2HB PHE 65 7.298 5.263 -7.831 521 HB3 PHE 65 1HB PHE 65 7.801 4.832 -9.464 522 HD1 PHE 65 1HD PHE 65 6.290 5.408 -11.389 523 HD2 PHE 65 2HD PHE 65 5.650 6.823 -7.450 524 HE1 PHE 65 1HE PHE 65 4.792 7.179 -12.260 525 HE2 PHE 65 2HE PHE 65 4.182 8.515 -8.225 526 HZ PHE 65 HZ PHE 65 3.721 8.749 -10.686 527 H GLY 66 H GLY 66 4.292 2.674 -9.867 528 HA2 GLY 66 2HA GLY 66 3.880 1.697 -11.918 529 HA3 GLY 66 1HA GLY 66 5.446 2.301 -12.453 530 H LYS 67 H LYS 67 4.597 0.105 -9.831 531 HA LYS 67 HA LYS 67 6.134 -1.972 -11.238 532 HB2 LYS 67 2HB LYS 67 5.951 -1.525 -8.249 533 HB3 LYS 67 1HB LYS 67 6.766 -2.890 -9.007 534 HG2 LYS 67 2HG LYS 67 7.502 -0.001 -9.459 535 HG3 LYS 67 1HG LYS 67 8.309 -1.077 -8.316 536 HD2 LYS 67 2HD LYS 67 9.231 -2.386 -10.004 537 HD3 LYS 67 1HD LYS 67 8.060 -1.864 -11.207 538 HE2 LYS 67 2HE LYS 67 10.197 -0.113 -10.005 539 HE3 LYS 67 1HE LYS 67 10.307 -0.920 -11.570 540 HZ1 LYS 67 3HZ LYS 67 8.360 1.216 -10.803 541 HZ2 LYS 67 1HZ LYS 67 8.243 0.306 -12.205 542 HZ3 LYS 67 2HZ LYS 67 9.566 1.319 -11.954 543 H GLY 68 H GLY 68 3.163 -1.171 -9.779 544 HA2 GLY 68 2HA GLY 68 2.272 -3.941 -10.190 545 HA3 GLY 68 1HA GLY 68 1.639 -2.898 -8.914 546 H SER 69 H SER 69 2.397 -2.266 -12.259 547 HA SER 69 HA SER 69 0.146 -0.595 -12.669 548 HB2 SER 69 2HB SER 69 2.097 -1.732 -14.665 549 HB3 SER 69 1HB SER 69 1.116 -0.273 -14.840 550 HG SER 69 HG SER 69 2.270 0.726 -13.309 551 H ALA 70 H ALA 70 0.140 -3.803 -12.405 552 HA ALA 70 HA ALA 70 -1.673 -4.219 -14.632 553 HB1 ALA 70 1HB ALA 70 -1.418 -6.633 -14.224 554 HB2 ALA 70 2HB ALA 70 -0.391 -6.286 -12.833 555 HB3 ALA 70 3HB ALA 70 0.151 -5.862 -14.456 556 H TYR 71 H TYR 71 -1.805 -3.142 -11.719 557 HA TYR 71 HA TYR 71 -4.293 -4.515 -10.953 558 HB2 TYR 71 2HB TYR 71 -2.415 -2.687 -9.519 559 HB3 TYR 71 1HB TYR 71 -4.049 -2.922 -8.930 560 HD1 TYR 71 2HD TYR 71 -0.913 -4.749 -9.789 561 HD2 TYR 71 1HD TYR 71 -4.500 -4.701 -7.510 562 HE1 TYR 71 2HE TYR 71 -0.138 -6.709 -8.522 563 HE2 TYR 71 1HE TYR 71 -3.727 -6.650 -6.241 564 HH TYR 71 HH TYR 71 -0.545 -7.653 -6.333 565 H SER 72 H SER 72 -6.011 -3.102 -10.218 566 HA SER 72 HA SER 72 -6.077 -0.540 -11.620 567 HB2 SER 72 2HB SER 72 -8.014 -2.100 -12.023 568 HB3 SER 72 1HB SER 72 -8.339 -2.093 -10.290 569 HG SER 72 HG SER 72 -9.252 -0.445 -12.080 570 H ARG 73 H ARG 73 -6.813 1.288 -10.233 571 HA ARG 73 HA ARG 73 -5.256 1.341 -7.909 572 HB2 ARG 73 2HB ARG 73 -7.419 3.288 -8.722 573 HB3 ARG 73 1HB ARG 73 -6.392 3.519 -7.316 574 HG2 ARG 73 2HG ARG 73 -4.419 3.385 -8.878 575 HG3 ARG 73 1HG ARG 73 -5.573 3.462 -10.211 576 HD2 ARG 73 2HD ARG 73 -5.207 5.534 -8.039 577 HD3 ARG 73 1HD ARG 73 -4.616 5.662 -9.688 578 HE ARG 73 HE ARG 73 -7.403 5.243 -9.662 579 HH11 ARG 73 1HH1 ARG 73 -4.969 7.763 -9.023 580 HH12 ARG 73 2HH1 ARG 73 -5.952 9.071 -9.384 581 HH21 ARG 73 1HH2 ARG 73 -8.858 7.097 -10.171 582 HH22 ARG 73 2HH2 ARG 73 -8.243 8.679 -10.053 583 H HIS 74 H HIS 74 -8.685 0.698 -8.217 584 HA HIS 74 HA HIS 74 -9.042 0.825 -5.380 585 HB2 HIS 74 2HB HIS 74 -10.816 1.378 -7.077 586 HB3 HIS 74 1HB HIS 74 -10.926 -0.341 -7.433 587 HD1 HIS 74 1HD HIS 74 -11.108 1.839 -4.345 588 HD2 HIS 74 2HD HIS 74 -12.845 -1.518 -6.026 589 HE1 HIS 74 1HE HIS 74 -12.983 1.216 -2.772 590 HE2 HIS 74 2HE HIS 74 -14.184 -0.650 -3.961 591 H ASN 75 H ASN 75 -7.920 -1.503 -7.547 592 HA ASN 75 HA ASN 75 -8.577 -3.827 -5.956 593 HB2 ASN 75 2HB ASN 75 -6.661 -3.499 -8.295 594 HB3 ASN 75 1HB ASN 75 -7.050 -5.033 -7.532 595 HD21 ASN 75 1HD2 ASN 75 -7.850 -5.916 -9.384 596 HD22 ASN 75 2HD2 ASN 75 -9.328 -5.434 -10.125 597 H ALA 76 H ALA 76 -5.794 -1.826 -6.711 598 HA ALA 76 HA ALA 76 -3.965 -3.047 -4.986 599 HB1 ALA 76 1HB ALA 76 -4.173 -0.196 -5.928 600 HB2 ALA 76 2HB ALA 76 -3.243 -1.478 -6.699 601 HB3 ALA 76 3HB ALA 76 -2.759 -0.862 -5.114 602 H GLU 77 H GLU 77 -6.288 -0.377 -4.502 603 HA GLU 77 HA GLU 77 -5.856 0.242 -1.833 604 HB2 GLU 77 2HB GLU 77 -8.488 -0.048 -3.260 605 HB3 GLU 77 1HB GLU 77 -8.337 0.549 -1.630 606 HG2 GLU 77 2HG GLU 77 -6.994 2.430 -2.526 607 HG3 GLU 77 1HG GLU 77 -7.362 1.839 -4.156 608 H ARG 78 H ARG 78 -7.601 -2.445 -3.263 609 HA ARG 78 HA ARG 78 -8.977 -3.283 -0.919 610 HB2 ARG 78 2HB ARG 78 -9.496 -3.825 -3.371 611 HB3 ARG 78 1HB ARG 78 -8.220 -5.022 -3.257 612 HG2 ARG 78 2HG ARG 78 -9.587 -5.899 -1.223 613 HG3 ARG 78 1HG ARG 78 -10.906 -4.986 -1.956 614 HD2 ARG 78 2HD ARG 78 -9.349 -7.283 -3.125 615 HD3 ARG 78 1HD ARG 78 -11.078 -7.189 -2.810 616 HE ARG 78 HE ARG 78 -10.971 -5.361 -4.618 617 HH11 ARG 78 1HH1 ARG 78 -9.088 -8.402 -4.625 618 HH12 ARG 78 2HH1 ARG 78 -8.840 -8.331 -6.311 619 HH21 ARG 78 1HH2 ARG 78 -10.564 -5.475 -7.077 620 HH22 ARG 78 2HH2 ARG 78 -9.599 -6.803 -7.575 621 H LEU 79 H LEU 79 -5.868 -3.856 -2.303 622 HA LEU 79 HA LEU 79 -5.291 -6.175 -0.734 623 HB2 LEU 79 2HB LEU 79 -4.435 -5.519 -3.003 624 HB3 LEU 79 1HB LEU 79 -3.352 -4.448 -2.140 625 HG LEU 79 HG LEU 79 -3.487 -7.374 -1.607 626 HD11 LEU 79 1HD1 LEU 79 -3.040 -6.990 -3.829 627 HD12 LEU 79 2HD1 LEU 79 -1.426 -7.279 -2.981 628 HD13 LEU 79 3HD1 LEU 79 -2.035 -5.613 -3.346 629 HD21 LEU 79 3HD2 LEU 79 -1.229 -7.098 -0.787 630 HD22 LEU 79 1HD2 LEU 79 -2.333 -6.038 0.085 631 HD23 LEU 79 2HD2 LEU 79 -1.278 -5.374 -1.169 632 H PHE 80 H PHE 80 -4.185 -2.785 -0.746 633 HA PHE 80 HA PHE 80 -2.564 -3.059 1.553 634 HB2 PHE 80 2HB PHE 80 -3.989 -0.642 0.447 635 HB3 PHE 80 1HB PHE 80 -2.897 -0.557 1.827 636 HD1 PHE 80 1HD PHE 80 -0.474 -1.300 1.448 637 HD2 PHE 80 2HD PHE 80 -3.202 -0.507 -1.704 638 HE1 PHE 80 1HE PHE 80 1.414 -0.955 -0.098 639 HE2 PHE 80 2HE PHE 80 -1.329 -0.172 -3.256 640 HZ PHE 80 HZ PHE 80 0.966 -0.385 -2.471 641 H LYS 81 H LYS 81 -5.789 -3.049 1.090 642 HA LYS 81 HA LYS 81 -6.357 -2.334 3.843 643 HB2 LYS 81 2HB LYS 81 -8.248 -2.709 1.523 644 HB3 LYS 81 1HB LYS 81 -8.815 -2.410 3.172 645 HG2 LYS 81 2HG LYS 81 -7.703 -0.296 3.275 646 HG3 LYS 81 1HG LYS 81 -6.839 -0.613 1.782 647 HD2 LYS 81 2HD LYS 81 -9.017 -0.498 0.571 648 HD3 LYS 81 1HD LYS 81 -9.794 -0.046 2.099 649 HE2 LYS 81 2HE LYS 81 -8.346 1.911 2.288 650 HE3 LYS 81 1HE LYS 81 -7.495 1.450 0.823 651 HZ1 LYS 81 3HZ LYS 81 -9.100 3.240 0.511 652 HZ2 LYS 81 1HZ LYS 81 -10.387 2.239 0.889 653 HZ3 LYS 81 2HZ LYS 81 -9.413 2.026 -0.501 654 H LYS 82 H LYS 82 -6.091 -5.075 1.815 655 HA LYS 82 HA LYS 82 -7.290 -6.987 3.562 656 HB2 LYS 82 2HB LYS 82 -6.823 -7.489 1.192 657 HB3 LYS 82 1HB LYS 82 -5.121 -7.176 1.442 658 HG2 LYS 82 2HG LYS 82 -5.524 -9.549 1.245 659 HG3 LYS 82 1HG LYS 82 -4.976 -9.167 2.873 660 HD2 LYS 82 2HD LYS 82 -7.195 -9.386 3.742 661 HD3 LYS 82 1HD LYS 82 -7.875 -9.510 2.118 662 HE2 LYS 82 2HE LYS 82 -7.758 -11.743 3.080 663 HE3 LYS 82 1HE LYS 82 -6.577 -11.584 1.783 664 HZ1 LYS 82 3HZ LYS 82 -5.645 -12.739 3.546 665 HZ2 LYS 82 1HZ LYS 82 -5.921 -11.514 4.697 666 HZ3 LYS 82 2HZ LYS 82 -4.876 -11.201 3.490 667 H LEU 83 H LEU 83 -4.082 -5.755 2.904 668 HA LEU 83 HA LEU 83 -2.596 -7.059 4.786 669 HB2 LEU 83 2HB LEU 83 -2.268 -4.349 3.644 670 HB3 LEU 83 1HB LEU 83 -1.076 -5.159 4.655 671 HG LEU 83 HG LEU 83 -2.175 -6.332 2.158 672 HD11 LEU 83 1HD1 LEU 83 -0.985 -4.258 1.763 673 HD12 LEU 83 2HD1 LEU 83 -0.162 -5.664 1.089 674 HD13 LEU 83 3HD1 LEU 83 0.417 -4.928 2.626 675 HD21 LEU 83 3HD2 LEU 83 -0.169 -7.748 2.298 676 HD22 LEU 83 1HD2 LEU 83 -1.268 -7.987 3.659 677 HD23 LEU 83 2HD2 LEU 83 0.197 -7.019 3.858 678 H ILE 84 H ILE 84 -4.459 -4.007 5.225 679 HA ILE 84 HA ILE 84 -3.457 -3.687 7.841 680 HB ILE 84 HB ILE 84 -5.188 -1.977 8.223 681 HG12 ILE 84 2HG1 ILE 84 -6.427 -1.231 5.966 682 HG13 ILE 84 1HG1 ILE 84 -6.283 -2.960 5.653 683 HG21 ILE 84 1HG2 ILE 84 -3.173 -1.205 7.345 684 HG22 ILE 84 2HG2 ILE 84 -4.465 -0.342 6.506 685 HG23 ILE 84 3HG2 ILE 84 -3.625 -1.666 5.704 686 HD11 ILE 84 3HD1 ILE 84 -8.448 -2.435 6.601 687 HD12 ILE 84 1HD1 ILE 84 -7.667 -1.722 8.016 688 HD13 ILE 84 2HD1 ILE 84 -7.502 -3.444 7.700 689 H LEU 85 H LEU 85 -6.214 -5.376 6.543 690 HA LEU 85 HA LEU 85 -7.397 -5.854 9.009 691 HB2 LEU 85 2HB LEU 85 -7.605 -7.226 6.374 692 HB3 LEU 85 1HB LEU 85 -8.463 -7.842 7.779 693 HG LEU 85 HG LEU 85 -8.650 -5.025 6.938 694 HD11 LEU 85 1HD1 LEU 85 -10.443 -7.365 6.114 695 HD12 LEU 85 2HD1 LEU 85 -9.407 -6.443 5.023 696 HD13 LEU 85 3HD1 LEU 85 -10.808 -5.675 5.770 697 HD21 LEU 85 3HD2 LEU 85 -9.426 -5.455 9.162 698 HD22 LEU 85 1HD2 LEU 85 -10.432 -6.793 8.602 699 HD23 LEU 85 2HD2 LEU 85 -10.824 -5.139 8.142 700 H ASP 86 H ASP 86 -5.141 -7.706 7.020 701 HA ASP 86 HA ASP 86 -4.889 -9.972 8.704 702 HB2 ASP 86 2HB ASP 86 -2.886 -8.882 6.704 703 HB3 ASP 86 1HB ASP 86 -2.803 -10.469 7.453 704 H LYS 87 H LYS 87 -3.351 -6.857 8.630 705 HA LYS 87 HA LYS 87 -2.516 -5.648 10.299 706 HB2 LYS 87 2HB LYS 87 -3.136 -7.953 11.799 707 HB3 LYS 87 1HB LYS 87 -1.525 -7.384 12.231 708 HG2 LYS 87 2HG LYS 87 -3.056 -6.214 13.625 709 HG3 LYS 87 1HG LYS 87 -2.472 -5.070 12.433 710 HD2 LYS 87 2HD LYS 87 -4.577 -5.757 11.080 711 HD3 LYS 87 1HD LYS 87 -5.166 -6.373 12.621 712 HE2 LYS 87 2HE LYS 87 -5.995 -4.119 12.283 713 HE3 LYS 87 1HE LYS 87 -4.831 -4.120 13.608 714 HZ1 LYS 87 3HZ LYS 87 -4.118 -3.413 10.821 715 HZ2 LYS 87 1HZ LYS 87 -3.177 -3.168 12.205 716 HZ3 LYS 87 2HZ LYS 87 -4.581 -2.255 11.922 717 H ILE 88 H ILE 88 -1.222 -7.389 8.243 718 HA ILE 88 HA ILE 88 1.536 -7.247 8.960 719 HB ILE 88 HB ILE 88 -0.026 -7.323 6.420 720 HG12 ILE 88 2HG1 ILE 88 1.411 -9.430 6.004 721 HG13 ILE 88 1HG1 ILE 88 1.959 -9.200 7.660 722 HG21 ILE 88 1HG2 ILE 88 2.954 -6.911 6.670 723 HG22 ILE 88 2HG2 ILE 88 1.815 -5.844 5.863 724 HG23 ILE 88 3HG2 ILE 88 2.216 -7.419 5.148 725 HD11 ILE 88 3HD1 ILE 88 0.224 -10.873 7.526 726 HD12 ILE 88 1HD1 ILE 88 -0.865 -9.691 6.799 727 HD13 ILE 88 2HD1 ILE 88 -0.312 -9.470 8.456 728 H LEU 89 H LEU 89 -0.855 -5.229 7.478 729 HA LEU 89 HA LEU 89 0.830 -2.886 7.857 730 HB2 LEU 89 2HB LEU 89 -1.377 -3.644 6.050 731 HB3 LEU 89 1HB LEU 89 -1.446 -2.026 6.692 732 HG LEU 89 HG LEU 89 -0.410 -2.148 4.467 733 HD11 LEU 89 1HD1 LEU 89 0.019 -0.394 6.073 734 HD12 LEU 89 2HD1 LEU 89 1.430 -0.702 5.037 735 HD13 LEU 89 3HD1 LEU 89 1.389 -1.291 6.706 736 HD21 LEU 89 3HD2 LEU 89 0.707 -4.323 4.760 737 HD22 LEU 89 1HD2 LEU 89 1.790 -3.590 5.931 738 HD23 LEU 89 2HD2 LEU 89 1.841 -3.068 4.238 739 H ASP 90 H ASP 90 0.172 -1.276 9.117 740 HA ASP 90 HA ASP 90 -2.285 -1.689 10.524 741 HB2 ASP 90 2HB ASP 90 0.417 -1.053 11.729 742 HB3 ASP 90 1HB ASP 90 -1.072 -0.558 12.540 743 H GLU 91 H GLU 91 -3.474 -0.078 10.716 744 HA GLU 91 HA GLU 91 -2.866 2.166 9.003 745 HB2 GLU 91 2HB GLU 91 -5.303 2.509 8.928 746 HB3 GLU 91 1HB GLU 91 -4.828 0.914 8.387 747 HG2 GLU 91 2HG GLU 91 -5.997 1.544 11.112 748 HG3 GLU 91 1HG GLU 91 -6.905 0.953 9.730 749 H ASP 92 H ASP 92 -2.574 4.128 9.738 750 HA ASP 92 HA ASP 92 -2.994 4.647 12.579 751 HB2 ASP 92 2HB ASP 92 -1.826 6.485 10.499 752 HB3 ASP 92 1HB ASP 92 -1.716 6.663 12.238 753 H LEU 93 H LEU 93 -5.116 4.926 12.754 754 HA LEU 93 HA LEU 93 -6.629 6.573 10.961 755 HB2 LEU 93 2HB LEU 93 -7.380 5.410 13.642 756 HB3 LEU 93 1HB LEU 93 -8.488 6.241 12.569 757 HG LEU 93 HG LEU 93 -7.075 3.638 11.966 758 HD11 LEU 93 1HD1 LEU 93 -8.800 3.385 13.657 759 HD12 LEU 93 2HD1 LEU 93 -9.301 2.650 12.135 760 HD13 LEU 93 3HD1 LEU 93 -9.958 4.214 12.616 761 HD21 LEU 93 3HD2 LEU 93 -9.139 5.170 10.370 762 HD22 LEU 93 1HD2 LEU 93 -8.540 3.555 9.991 763 HD23 LEU 93 2HD2 LEU 93 -7.449 4.934 9.932 764 H TYR 94 H TYR 94 -6.570 8.661 10.936 765 HA TYR 94 HA TYR 94 -6.189 10.149 13.404 766 HB2 TYR 94 2HB TYR 94 -4.057 10.187 12.345 767 HB3 TYR 94 1HB TYR 94 -4.779 10.379 10.755 768 HD1 TYR 94 2HD TYR 94 -4.114 12.136 13.959 769 HD2 TYR 94 1HD TYR 94 -5.206 12.514 9.865 770 HE1 TYR 94 2HE TYR 94 -3.830 14.577 14.113 771 HE2 TYR 94 1HE TYR 94 -4.921 14.954 10.005 772 HH TYR 94 HH TYR 94 -4.939 16.709 11.721 773 H ILE 95 H ILE 95 -7.747 11.693 13.597 774 HA ILE 95 HA ILE 95 -8.958 12.593 11.140 775 HB ILE 95 HB ILE 95 -10.426 10.990 12.465 776 HG12 ILE 95 2HG1 ILE 95 -11.474 13.792 12.317 777 HG13 ILE 95 1HG1 ILE 95 -11.344 12.693 10.946 778 HG21 ILE 95 1HG2 ILE 95 -9.817 11.576 14.704 779 HG22 ILE 95 2HG2 ILE 95 -11.560 11.984 14.409 780 HG23 ILE 95 3HG2 ILE 95 -10.347 13.250 14.388 781 HD11 ILE 95 3HD1 ILE 95 -12.794 11.121 12.135 782 HD12 ILE 95 1HD1 ILE 95 -13.556 12.682 11.747 783 HD13 ILE 95 2HD1 ILE 95 -12.986 12.353 13.400 784 H ASN 96 H ASN 96 -9.264 14.739 11.082 785 HA ASN 96 HA ASN 96 -8.049 16.241 13.269 786 HB2 ASN 96 2HB ASN 96 -8.055 18.212 11.659 787 HB3 ASN 96 1HB ASN 96 -7.041 16.862 11.178 788 HD21 ASN 96 1HD2 ASN 96 -9.790 18.844 10.316 789 HD22 ASN 96 2HD2 ASN 96 -10.029 18.049 8.810 790 H ALA 97 H ALA 97 -9.150 18.528 13.569 791 HA ALA 97 HA ALA 97 -11.578 17.918 14.906 792 HB1 ALA 97 1HB ALA 97 -11.531 20.230 15.632 793 HB2 ALA 97 2HB ALA 97 -10.332 20.615 14.399 794 HB3 ALA 97 3HB ALA 97 -9.916 19.526 15.724 795 H ASN 98 H ASN 98 -11.648 17.832 11.925 796 HA ASN 98 HA ASN 98 -14.037 19.512 11.482 797 HB2 ASN 98 2HB ASN 98 -11.992 18.535 9.516 798 HB3 ASN 98 1HB ASN 98 -13.477 19.369 9.057 799 HD21 ASN 98 1HD2 ASN 98 -13.573 21.604 9.481 800 HD22 ASN 98 2HD2 ASN 98 -12.110 22.463 9.843 801 H ASP 99 H ASP 99 -13.137 16.628 12.363 802 HA ASP 99 HA ASP 99 -13.767 14.525 12.269 803 HB2 ASP 99 2HB ASP 99 -16.288 15.771 11.132 804 HB3 ASP 99 1HB ASP 99 -16.163 14.046 11.464 805 H GLN 100 H GLN 100 -12.255 15.536 10.184 806 HA GLN 100 HA GLN 100 -13.011 13.870 7.891 807 HB2 GLN 100 2HB GLN 100 -10.830 15.958 8.114 808 HB3 GLN 100 1HB GLN 100 -11.321 15.126 6.635 809 HG2 GLN 100 2HG GLN 100 -13.021 16.997 8.273 810 HG3 GLN 100 1HG GLN 100 -12.244 17.381 6.738 811 HE21 GLN 100 1HE2 GLN 100 -15.093 17.209 7.702 812 HE22 GLN 100 2HE2 GLN 100 -15.870 16.229 6.503 813 H ALA 101 H ALA 101 -12.298 11.909 8.131 814 HA ALA 101 HA ALA 101 -9.917 11.382 9.728 815 HB1 ALA 101 1HB ALA 101 -11.976 10.206 10.326 816 HB2 ALA 101 2HB ALA 101 -10.696 9.090 9.841 817 HB3 ALA 101 3HB ALA 101 -12.010 9.466 8.726 818 H ILE 102 H ILE 102 -8.159 10.434 9.001 819 HA ILE 102 HA ILE 102 -8.142 9.263 6.369 820 HB ILE 102 HB ILE 102 -7.440 11.656 6.087 821 HG12 ILE 102 2HG1 ILE 102 -5.161 9.717 5.617 822 HG13 ILE 102 1HG1 ILE 102 -6.576 9.860 4.583 823 HG21 ILE 102 1HG2 ILE 102 -5.163 10.882 7.886 824 HG22 ILE 102 2HG2 ILE 102 -6.441 12.051 8.236 825 HG23 ILE 102 3HG2 ILE 102 -5.259 12.387 6.966 826 HD11 ILE 102 3HD1 ILE 102 -5.950 12.200 4.113 827 HD12 ILE 102 1HD1 ILE 102 -4.716 11.048 3.606 828 HD13 ILE 102 2HD1 ILE 102 -4.497 11.979 5.086 829 H ALA 103 H ALA 103 -6.508 7.674 6.163 830 HA ALA 103 HA ALA 103 -5.343 6.868 8.729 831 HB1 ALA 103 1HB ALA 103 -7.106 5.355 7.912 832 HB2 ALA 103 2HB ALA 103 -5.528 4.570 7.964 833 HB3 ALA 103 3HB ALA 103 -6.191 5.118 6.423 834 H TYR 104 H TYR 104 -3.204 6.587 8.794 835 HA TYR 104 HA TYR 104 -1.734 6.952 6.297 836 HB2 TYR 104 2HB TYR 104 -0.625 7.002 9.136 837 HB3 TYR 104 1HB TYR 104 0.229 7.312 7.644 838 HD1 TYR 104 2HD TYR 104 -2.527 8.664 9.747 839 HD2 TYR 104 1HD TYR 104 0.387 9.419 6.749 840 HE1 TYR 104 2HE TYR 104 -2.998 11.075 9.899 841 HE2 TYR 104 1HE TYR 104 -0.062 11.810 6.902 842 HH TYR 104 HH TYR 104 -1.822 13.168 9.432 843 H VAL 105 H VAL 105 0.446 5.684 6.398 844 HA VAL 105 HA VAL 105 -0.281 2.948 6.972 845 HB VAL 105 HB VAL 105 0.945 4.127 4.531 846 HG11 VAL 105 1HG1 VAL 105 1.256 1.251 5.440 847 HG12 VAL 105 2HG1 VAL 105 2.587 2.384 5.212 848 HG13 VAL 105 3HG1 VAL 105 1.636 1.847 3.825 849 HG21 VAL 105 3HG2 VAL 105 -1.332 3.734 4.783 850 HG22 VAL 105 1HG2 VAL 105 -1.024 2.059 5.239 851 HG23 VAL 105 2HG2 VAL 105 -0.665 2.600 3.565 852 H MET 106 H MET 106 0.728 1.991 8.329 853 HA MET 106 HA MET 106 3.629 2.084 8.404 854 HB2 MET 106 2HB MET 106 1.921 2.327 10.908 855 HB3 MET 106 1HB MET 106 3.631 1.939 10.917 856 HG2 MET 106 2HG MET 106 3.965 4.174 9.711 857 HG3 MET 106 1HG MET 106 2.294 4.512 10.151 858 HE1 MET 106 3HE MET 106 4.911 2.506 12.395 859 HE2 MET 106 1HE MET 106 5.652 3.838 13.269 860 HE3 MET 106 2HE MET 106 5.887 3.687 11.525 861 H LEU 107 H LEU 107 4.428 0.176 9.779 862 HA LEU 107 HA LEU 107 2.600 -2.086 9.402 863 HB2 LEU 107 2HB LEU 107 5.614 -1.988 9.088 864 HB3 LEU 107 1HB LEU 107 4.741 -3.481 9.287 865 HG LEU 107 HG LEU 107 3.507 -2.887 7.148 866 HD11 LEU 107 1HD1 LEU 107 5.772 -0.927 6.870 867 HD12 LEU 107 2HD1 LEU 107 4.063 -0.527 7.027 868 HD13 LEU 107 3HD1 LEU 107 4.639 -1.387 5.597 869 HD21 LEU 107 3HD2 LEU 107 5.212 -4.608 7.329 870 HD22 LEU 107 1HD2 LEU 107 6.469 -3.410 7.052 871 HD23 LEU 107 2HD2 LEU 107 5.313 -3.783 5.769 872 H GLY 108 H GLY 108 2.190 -3.254 11.261 873 HA2 GLY 108 2HA GLY 108 3.868 -2.466 13.515 874 HA3 GLY 108 1HA GLY 108 2.123 -2.472 13.545 875 H ASN 109 H ASN 109 1.044 -4.487 13.249 876 HA ASN 109 HA ASN 109 1.961 -6.165 15.349 877 HB2 ASN 109 2HB ASN 109 -0.364 -5.635 15.200 878 HB3 ASN 109 1HB ASN 109 -0.491 -6.394 13.624 879 HD21 ASN 109 1HD2 ASN 109 -0.120 -6.935 17.034 880 HD22 ASN 109 2HD2 ASN 109 -0.599 -8.593 17.051 881 H LYS 110 H LYS 110 1.359 -7.092 11.937 882 HA LYS 110 HA LYS 110 2.774 -9.606 12.535 883 HB2 LYS 110 2HB LYS 110 1.365 -8.813 9.972 884 HB3 LYS 110 1HB LYS 110 2.005 -10.382 10.353 885 HG2 LYS 110 2HG LYS 110 -0.320 -9.054 11.683 886 HG3 LYS 110 1HG LYS 110 -0.398 -10.331 10.480 887 HD2 LYS 110 2HD LYS 110 0.873 -11.777 12.083 888 HD3 LYS 110 1HD LYS 110 0.652 -10.495 13.287 889 HE2 LYS 110 2HE LYS 110 -1.477 -12.061 11.856 890 HE3 LYS 110 1HE LYS 110 -1.130 -12.068 13.589 891 HZ1 LYS 110 3HZ LYS 110 -2.270 -9.859 11.968 892 HZ2 LYS 110 1HZ LYS 110 -1.728 -9.664 13.567 893 HZ3 LYS 110 2HZ LYS 110 -3.034 -10.697 13.217 894 H ALA 111 H ALA 111 3.670 -6.671 11.849 895 HA ALA 111 HA ALA 111 5.080 -6.648 9.469 896 HB1 ALA 111 1HB ALA 111 6.202 -4.717 10.286 897 HB2 ALA 111 2HB ALA 111 5.781 -5.136 11.953 898 HB3 ALA 111 3HB ALA 111 4.511 -4.703 10.800 899 H GLN 112 H GLN 112 6.068 -7.852 12.576 900 HA GLN 112 HA GLN 112 8.819 -8.067 11.859 901 HB2 GLN 112 2HB GLN 112 9.217 -9.230 13.917 902 HB3 GLN 112 1HB GLN 112 8.009 -8.014 14.249 903 HG2 GLN 112 2HG GLN 112 7.118 -9.759 15.424 904 HG3 GLN 112 1HG GLN 112 6.377 -10.080 13.855 905 HE21 GLN 112 1HE2 GLN 112 6.989 -11.923 12.718 906 HE22 GLN 112 2HE2 GLN 112 8.086 -13.096 13.368 907 H THR 113 H THR 113 6.064 -10.087 11.359 908 HA THR 113 HA THR 113 7.513 -12.418 10.594 909 HB THR 113 HB THR 113 4.659 -11.647 9.920 910 HG1 THR 113 1HG THR 113 4.659 -13.156 12.053 911 HG21 THR 113 3HG2 THR 113 5.544 -13.689 8.815 912 HG22 THR 113 1HG2 THR 113 4.290 -14.083 9.992 913 HG23 THR 113 2HG2 THR 113 5.988 -14.333 10.395 914 H VAL 114 H VAL 114 6.409 -9.497 9.160 915 HA VAL 114 HA VAL 114 6.717 -10.196 6.423 916 HB VAL 114 HB VAL 114 7.045 -7.461 7.665 917 HG11 VAL 114 1HG1 VAL 114 6.233 -8.263 4.883 918 HG12 VAL 114 2HG1 VAL 114 7.795 -7.616 5.372 919 HG13 VAL 114 3HG1 VAL 114 6.346 -6.614 5.503 920 HG21 VAL 114 3HG2 VAL 114 4.742 -7.068 7.347 921 HG22 VAL 114 1HG2 VAL 114 4.920 -8.498 8.344 922 HG23 VAL 114 2HG2 VAL 114 4.471 -8.664 6.639 923 H LEU 115 H LEU 115 8.770 -8.800 8.884 924 HA LEU 115 HA LEU 115 11.061 -8.375 7.267 925 HB2 LEU 115 2HB LEU 115 10.905 -8.798 10.249 926 HB3 LEU 115 1HB LEU 115 12.249 -8.087 9.374 927 HG LEU 115 HG LEU 115 9.493 -6.947 9.571 928 HD11 LEU 115 1HD1 LEU 115 10.677 -6.834 11.716 929 HD12 LEU 115 2HD1 LEU 115 10.549 -5.223 11.014 930 HD13 LEU 115 3HD1 LEU 115 12.072 -6.104 10.922 931 HD21 LEU 115 3HD2 LEU 115 10.510 -4.907 8.590 932 HD22 LEU 115 1HD2 LEU 115 10.550 -6.289 7.496 933 HD23 LEU 115 2HD2 LEU 115 12.010 -5.803 8.355 934 H ASN 116 H ASN 116 10.000 -11.028 9.381 935 HA ASN 116 HA ASN 116 12.283 -12.644 8.912 936 HB2 ASN 116 2HB ASN 116 10.839 -13.000 10.857 937 HB3 ASN 116 1HB ASN 116 9.467 -13.335 9.817 938 HD21 ASN 116 1HD2 ASN 116 12.492 -14.566 11.054 939 HD22 ASN 116 2HD2 ASN 116 12.192 -16.216 10.633 940 H GLY 117 H GLY 117 9.513 -11.900 7.117 941 HA2 GLY 117 2HA GLY 117 9.218 -12.248 4.816 942 HA3 GLY 117 1HA GLY 117 10.536 -13.411 4.851 943 H ASN 118 H ASN 118 8.345 -14.022 7.255 944 HA ASN 118 HA ASN 118 7.419 -16.364 5.773 945 HB2 ASN 118 2HB ASN 118 8.464 -16.307 8.190 946 HB3 ASN 118 1HB ASN 118 6.827 -15.886 8.671 947 HD21 ASN 118 1HD2 ASN 118 8.349 -18.199 9.329 948 HD22 ASN 118 2HD2 ASN 118 7.466 -19.579 8.786 949 H LEU 119 H LEU 119 6.365 -13.551 5.542 950 HA LEU 119 HA LEU 119 3.693 -13.883 6.596 951 HB2 LEU 119 2HB LEU 119 3.269 -11.555 6.238 952 HB3 LEU 119 1HB LEU 119 4.875 -11.653 6.900 953 HG LEU 119 HG LEU 119 5.112 -9.998 5.344 954 HD11 LEU 119 1HD1 LEU 119 6.850 -11.510 4.882 955 HD12 LEU 119 2HD1 LEU 119 6.237 -10.938 3.294 956 HD13 LEU 119 3HD1 LEU 119 5.689 -12.487 4.000 957 HD21 LEU 119 3HD2 LEU 119 3.310 -11.478 3.428 958 HD22 LEU 119 1HD2 LEU 119 4.089 -9.929 3.108 959 HD23 LEU 119 2HD2 LEU 119 2.882 -10.060 4.386 960 H LYS 120 H LYS 120 2.472 -14.788 5.551 961 HA LYS 120 HA LYS 120 2.288 -14.471 2.710 962 HB2 LYS 120 2HB LYS 120 1.738 -16.912 2.437 963 HB3 LYS 120 1HB LYS 120 3.389 -16.483 2.788 964 HG2 LYS 120 2HG LYS 120 3.023 -16.971 5.178 965 HG3 LYS 120 1HG LYS 120 1.413 -17.583 4.790 966 HD2 LYS 120 2HD LYS 120 3.015 -19.419 5.007 967 HD3 LYS 120 1HD LYS 120 2.447 -19.297 3.342 968 HE2 LYS 120 2HE LYS 120 4.893 -19.680 3.518 969 HE3 LYS 120 1HE LYS 120 4.497 -18.192 2.670 970 HZ1 LYS 120 3HZ LYS 120 6.284 -17.777 4.209 971 HZ2 LYS 120 1HZ LYS 120 5.416 -18.400 5.518 972 HZ3 LYS 120 2HZ LYS 120 4.905 -17.001 4.788 973 H VAL 121 H VAL 121 0.512 -13.432 2.330 974 HA VAL 121 HA VAL 121 -1.924 -14.409 3.628 975 HB VAL 121 HB VAL 121 -2.868 -12.272 3.634 976 HG11 VAL 121 1HG1 VAL 121 -1.404 -10.895 5.000 977 HG12 VAL 121 2HG1 VAL 121 -0.055 -11.967 4.594 978 HG13 VAL 121 3HG1 VAL 121 -1.446 -12.590 5.487 979 HG21 VAL 121 3HG2 VAL 121 -1.809 -10.258 2.666 980 HG22 VAL 121 1HG2 VAL 121 -2.206 -11.560 1.530 981 HG23 VAL 121 2HG2 VAL 121 -0.519 -11.325 2.025 982 H ASP 122 H ASP 122 -3.803 -13.723 2.289 983 HA ASP 122 HA ASP 122 -3.286 -14.638 -0.426 984 HB2 ASP 122 2HB ASP 122 -5.542 -15.341 -0.360 985 HB3 ASP 122 1HB ASP 122 -4.639 -15.926 1.061 986 H PHE 123 H PHE 123 -4.440 -13.677 -2.111 987 HA PHE 123 HA PHE 123 -6.228 -11.526 -1.648 988 HB2 PHE 123 2HB PHE 123 -3.940 -10.416 -1.679 989 HB3 PHE 123 1HB PHE 123 -3.779 -10.979 -3.341 990 HD1 PHE 123 1HD PHE 123 -6.220 -9.167 -1.211 991 HD2 PHE 123 2HD PHE 123 -4.315 -9.485 -4.992 992 HE1 PHE 123 1HE PHE 123 -7.395 -7.154 -1.967 993 HE2 PHE 123 2HE PHE 123 -5.498 -7.465 -5.750 994 HZ PHE 123 HZ PHE 123 -7.026 -6.308 -4.251 995 H MET 124 H MET 124 -7.379 -11.028 -3.643 996 HA MET 124 HA MET 124 -7.211 -13.307 -5.472 997 HB2 MET 124 2HB MET 124 -9.048 -13.627 -3.895 998 HB3 MET 124 1HB MET 124 -9.745 -12.089 -4.379 999 HG2 MET 124 2HG MET 124 -10.094 -12.946 -6.638 1000 HG3 MET 124 1HG MET 124 -9.358 -14.476 -6.170 1001 HE1 MET 124 3HE MET 124 -10.607 -14.871 -3.190 1002 HE2 MET 124 1HE MET 124 -10.448 -16.156 -4.388 1003 HE3 MET 124 2HE MET 124 -11.997 -15.870 -3.599 1004 H GLU 125 H GLU 125 -6.508 -12.529 -7.261 1005 HA GLU 125 HA GLU 125 -8.036 -10.475 -8.675 1006 HB2 GLU 125 2HB GLU 125 -5.005 -10.749 -8.467 1007 HB3 GLU 125 1HB GLU 125 -5.770 -9.853 -9.768 1008 HG2 GLU 125 2HG GLU 125 -6.109 -9.224 -6.866 1009 HG3 GLU 125 1HG GLU 125 -4.940 -8.449 -7.936 1010 H THR 126 H THR 126 -6.034 -11.104 -10.989 1011 HA THR 126 HA THR 126 -7.356 -13.598 -11.634 1012 HB THR 126 HB THR 126 -5.812 -11.750 -13.487 1013 HG1 THR 126 1HG THR 126 -8.050 -11.264 -12.235 1014 HG21 THR 126 3HG2 THR 126 -7.113 -12.885 -15.247 1015 HG22 THR 126 1HG2 THR 126 -7.907 -13.881 -14.027 1016 HG23 THR 126 2HG2 THR 126 -6.178 -14.059 -14.321 1017 H GLU 127 H GLU 127 -5.943 -14.502 -10.067 1018 HA GLU 127 HA GLU 127 -3.843 -15.964 -11.233 1019 HB2 GLU 127 2HB GLU 127 -2.840 -13.713 -10.277 1020 HB3 GLU 127 1HB GLU 127 -3.178 -14.397 -8.711 1021 HG2 GLU 127 2HG GLU 127 -1.261 -15.476 -10.812 1022 HG3 GLU 127 1HG GLU 127 -0.816 -14.679 -9.320 Start of MODEL 2 1 H1 CYS 1 1HT CYS 1 -17.077 -10.521 -7.404 2 H2 CYS 1 2HT CYS 1 -18.252 -9.995 -6.366 3 H3 CYS 1 3HT CYS 1 -17.977 -9.219 -7.848 4 HA CYS 1 HA CYS 1 -19.991 -10.644 -7.866 5 HB2 CYS 1 2HB CYS 1 -17.708 -11.412 -9.713 6 HB3 CYS 1 1HB CYS 1 -19.408 -11.754 -10.013 7 HG CYS 1 HG CYS 1 -18.218 -9.482 -11.479 8 H LYS 2 H LYS 2 -20.283 -13.151 -8.731 9 HA LYS 2 HA LYS 2 -19.319 -14.778 -6.490 10 HB2 LYS 2 2HB LYS 2 -21.789 -14.760 -6.965 11 HB3 LYS 2 1HB LYS 2 -21.471 -15.375 -8.581 12 HG2 LYS 2 2HG LYS 2 -20.462 -17.410 -7.524 13 HG3 LYS 2 1HG LYS 2 -20.978 -16.800 -5.964 14 HD2 LYS 2 2HD LYS 2 -22.880 -17.389 -8.248 15 HD3 LYS 2 1HD LYS 2 -22.452 -18.571 -7.023 16 HE2 LYS 2 2HE LYS 2 -24.540 -17.677 -6.358 17 HE3 LYS 2 1HE LYS 2 -23.352 -16.913 -5.312 18 HZ1 LYS 2 3HZ LYS 2 -25.037 -15.381 -6.141 19 HZ2 LYS 2 1HZ LYS 2 -24.556 -15.681 -7.730 20 HZ3 LYS 2 2HZ LYS 2 -23.499 -14.908 -6.646 21 H THR 3 H THR 3 -18.506 -16.981 -7.074 22 HA THR 3 HA THR 3 -17.118 -18.369 -8.116 23 HB THR 3 HB THR 3 -17.986 -17.028 -10.710 24 HG1 THR 3 1HG THR 3 -19.495 -18.803 -10.742 25 HG21 THR 3 3HG2 THR 3 -16.883 -19.802 -10.159 26 HG22 THR 3 1HG2 THR 3 -15.994 -18.485 -10.923 27 HG23 THR 3 2HG2 THR 3 -17.391 -19.191 -11.736 28 H LYS 4 H LYS 4 -15.355 -17.543 -7.148 29 HA LYS 4 HA LYS 4 -13.699 -15.696 -8.744 30 HB2 LYS 4 2HB LYS 4 -14.236 -15.460 -5.789 31 HB3 LYS 4 1HB LYS 4 -13.057 -14.513 -6.665 32 HG2 LYS 4 2HG LYS 4 -16.038 -14.461 -7.142 33 HG3 LYS 4 1HG LYS 4 -15.140 -13.287 -6.189 34 HD2 LYS 4 2HD LYS 4 -14.793 -13.823 -9.151 35 HD3 LYS 4 1HD LYS 4 -15.610 -12.437 -8.430 36 HE2 LYS 4 2HE LYS 4 -12.674 -13.123 -8.220 37 HE3 LYS 4 1HE LYS 4 -13.392 -11.780 -9.102 38 HZ1 LYS 4 3HZ LYS 4 -12.587 -10.922 -7.017 39 HZ2 LYS 4 1HZ LYS 4 -13.390 -12.123 -6.143 40 HZ3 LYS 4 2HZ LYS 4 -14.231 -10.926 -6.961 41 H ASP 5 H ASP 5 -13.806 -18.043 -6.057 42 HA ASP 5 HA ASP 5 -10.924 -18.085 -6.097 43 HB2 ASP 5 2HB ASP 5 -12.045 -17.857 -3.913 44 HB3 ASP 5 1HB ASP 5 -12.783 -19.441 -4.145 45 H TYR 6 H TYR 6 -10.405 -19.212 -7.879 46 HA TYR 6 HA TYR 6 -11.175 -21.966 -8.204 47 HB2 TYR 6 2HB TYR 6 -8.636 -20.545 -9.135 48 HB3 TYR 6 1HB TYR 6 -9.242 -22.076 -9.751 49 HD1 TYR 6 2HD TYR 6 -11.297 -22.101 -11.168 50 HD2 TYR 6 1HD TYR 6 -9.455 -18.461 -9.953 51 HE1 TYR 6 2HE TYR 6 -12.534 -20.895 -12.916 52 HE2 TYR 6 1HE TYR 6 -10.689 -17.248 -11.698 53 HH TYR 6 HH TYR 6 -11.789 -17.722 -13.845 54 H LYS 7 H LYS 7 -8.435 -20.128 -6.995 55 HA LYS 7 HA LYS 7 -8.391 -21.432 -4.581 56 HB2 LYS 7 2HB LYS 7 -7.053 -23.037 -6.149 57 HB3 LYS 7 1HB LYS 7 -5.842 -21.766 -6.165 58 HG2 LYS 7 2HG LYS 7 -5.152 -23.318 -4.521 59 HG3 LYS 7 1HG LYS 7 -5.764 -21.916 -3.663 60 HD2 LYS 7 2HD LYS 7 -7.346 -24.492 -4.090 61 HD3 LYS 7 1HD LYS 7 -6.417 -24.140 -2.647 62 HE2 LYS 7 2HE LYS 7 -8.520 -23.531 -1.923 63 HE3 LYS 7 1HE LYS 7 -7.995 -21.992 -2.580 64 HZ1 LYS 7 3HZ LYS 7 -10.070 -22.177 -3.525 65 HZ2 LYS 7 1HZ LYS 7 -10.035 -23.863 -3.657 66 HZ3 LYS 7 2HZ LYS 7 -9.208 -22.918 -4.741 67 H THR 8 H THR 8 -6.926 -20.218 -3.141 68 HA THR 8 HA THR 8 -7.211 -17.546 -3.920 69 HB THR 8 HB THR 8 -5.874 -18.348 -1.385 70 HG1 THR 8 1HG THR 8 -8.578 -18.888 -2.220 71 HG21 THR 8 3HG2 THR 8 -7.328 -16.588 -0.540 72 HG22 THR 8 1HG2 THR 8 -8.241 -16.578 -2.057 73 HG23 THR 8 2HG2 THR 8 -6.584 -16.014 -2.043 74 H ARG 9 H ARG 9 -5.493 -15.944 -3.603 75 HA ARG 9 HA ARG 9 -3.193 -16.866 -5.129 76 HB2 ARG 9 2HB ARG 9 -4.468 -14.218 -4.662 77 HB3 ARG 9 1HB ARG 9 -2.971 -14.382 -5.585 78 HG2 ARG 9 2HG ARG 9 -4.780 -14.113 -7.130 79 HG3 ARG 9 1HG ARG 9 -4.306 -15.814 -7.169 80 HD2 ARG 9 2HD ARG 9 -6.218 -16.486 -5.962 81 HD3 ARG 9 1HD ARG 9 -6.555 -14.854 -5.414 82 HE ARG 9 HE ARG 9 -6.808 -14.517 -7.985 83 HH11 ARG 9 1HH1 ARG 9 -8.169 -17.183 -6.062 84 HH12 ARG 9 2HH1 ARG 9 -9.643 -17.193 -6.937 85 HH21 ARG 9 1HH2 ARG 9 -8.713 -14.621 -9.151 86 HH22 ARG 9 2HH2 ARG 9 -9.969 -15.749 -8.784 87 H ASP 10 H ASP 10 -1.330 -17.092 -4.087 88 HA ASP 10 HA ASP 10 -0.861 -15.868 -1.481 89 HB2 ASP 10 2HB ASP 10 -0.159 -18.177 -1.885 90 HB3 ASP 10 1HB ASP 10 0.934 -17.639 -3.173 91 H VAL 11 H VAL 11 -0.730 -13.780 -1.931 92 HA VAL 11 HA VAL 11 1.127 -12.800 -3.989 93 HB VAL 11 HB VAL 11 0.506 -10.473 -3.068 94 HG11 VAL 11 1HG1 VAL 11 -1.676 -12.173 -4.242 95 HG12 VAL 11 2HG1 VAL 11 -0.399 -11.299 -5.127 96 HG13 VAL 11 3HG1 VAL 11 -1.590 -10.406 -4.173 97 HG21 VAL 11 3HG2 VAL 11 -0.294 -11.261 -0.940 98 HG22 VAL 11 1HG2 VAL 11 -1.646 -12.083 -1.717 99 HG23 VAL 11 2HG2 VAL 11 -1.530 -10.308 -1.775 100 H THR 12 H THR 12 2.807 -13.970 -2.643 101 HA THR 12 HA THR 12 3.509 -12.096 -0.557 102 HB THR 12 HB THR 12 4.759 -13.684 0.570 103 HG1 THR 12 1HG THR 12 3.929 -15.714 -1.310 104 HG21 THR 12 3HG2 THR 12 2.975 -15.298 1.044 105 HG22 THR 12 1HG2 THR 12 2.156 -14.788 -0.417 106 HG23 THR 12 2HG2 THR 12 2.381 -13.632 0.905 107 H ASP 13 H ASP 13 4.507 -13.016 -3.581 108 HA ASP 13 HA ASP 13 7.167 -11.988 -3.327 109 HB2 ASP 13 2HB ASP 13 7.191 -12.304 -5.787 110 HB3 ASP 13 1HB ASP 13 6.639 -13.762 -4.969 111 H ASP 14 H ASP 14 3.992 -11.047 -4.299 112 HA ASP 14 HA ASP 14 4.597 -8.479 -5.412 113 HB2 ASP 14 2HB ASP 14 2.469 -9.514 -5.955 114 HB3 ASP 14 1HB ASP 14 2.032 -9.611 -4.256 115 H VAL 15 H VAL 15 3.078 -9.373 -2.384 116 HA VAL 15 HA VAL 15 3.184 -6.885 -1.193 117 HB VAL 15 HB VAL 15 3.001 -9.638 0.079 118 HG11 VAL 15 1HG1 VAL 15 2.164 -8.504 2.090 119 HG12 VAL 15 2HG1 VAL 15 2.457 -6.935 1.344 120 HG13 VAL 15 3HG1 VAL 15 3.815 -7.990 1.738 121 HG21 VAL 15 3HG2 VAL 15 1.129 -9.080 -1.425 122 HG22 VAL 15 1HG2 VAL 15 0.912 -7.543 -0.591 123 HG23 VAL 15 2HG2 VAL 15 0.598 -9.060 0.243 124 H LYS 16 H LYS 16 5.644 -9.428 -1.218 125 HA LYS 16 HA LYS 16 7.284 -8.233 0.767 126 HB2 LYS 16 2HB LYS 16 7.578 -10.582 0.024 127 HB3 LYS 16 1HB LYS 16 8.104 -10.007 -1.538 128 HG2 LYS 16 2HG LYS 16 10.000 -10.736 -0.181 129 HG3 LYS 16 1HG LYS 16 10.099 -9.020 -0.558 130 HD2 LYS 16 2HD LYS 16 10.729 -9.502 1.781 131 HD3 LYS 16 1HD LYS 16 9.311 -8.463 1.685 132 HE2 LYS 16 2HE LYS 16 9.041 -10.174 3.406 133 HE3 LYS 16 1HE LYS 16 7.867 -10.365 2.111 134 HZ1 LYS 16 3HZ LYS 16 10.358 -11.965 2.444 135 HZ2 LYS 16 1HZ LYS 16 9.235 -12.146 1.187 136 HZ3 LYS 16 2HZ LYS 16 8.785 -12.499 2.770 137 H SER 17 H SER 17 7.105 -7.874 -2.741 138 HA SER 17 HA SER 17 9.347 -6.206 -2.983 139 HB2 SER 17 2HB SER 17 6.894 -6.449 -4.741 140 HB3 SER 17 1HB SER 17 8.404 -5.654 -5.202 141 HG SER 17 HG SER 17 7.822 -8.368 -4.899 142 H ILE 18 H ILE 18 5.903 -5.547 -2.490 143 HA ILE 18 HA ILE 18 5.942 -2.767 -2.563 144 HB ILE 18 HB ILE 18 4.270 -4.692 -0.948 145 HG12 ILE 18 2HG1 ILE 18 3.648 -3.068 -3.425 146 HG13 ILE 18 1HG1 ILE 18 3.954 -4.797 -3.370 147 HG21 ILE 18 1HG2 ILE 18 2.711 -2.849 -0.477 148 HG22 ILE 18 2HG2 ILE 18 3.890 -1.709 -1.152 149 HG23 ILE 18 3HG2 ILE 18 4.294 -2.665 0.282 150 HD11 ILE 18 3HD1 ILE 18 1.928 -5.109 -2.036 151 HD12 ILE 18 1HD1 ILE 18 1.579 -4.324 -3.578 152 HD13 ILE 18 2HD1 ILE 18 1.630 -3.373 -2.090 153 H VAL 19 H VAL 19 6.359 -4.937 0.200 154 HA VAL 19 HA VAL 19 6.799 -2.889 2.072 155 HB VAL 19 HB VAL 19 7.581 -5.781 2.215 156 HG11 VAL 19 1HG1 VAL 19 7.690 -5.398 4.709 157 HG12 VAL 19 2HG1 VAL 19 7.368 -3.692 4.426 158 HG13 VAL 19 3HG1 VAL 19 8.866 -4.408 3.846 159 HG21 VAL 19 3HG2 VAL 19 5.550 -5.939 3.618 160 HG22 VAL 19 1HG2 VAL 19 5.282 -5.486 1.923 161 HG23 VAL 19 2HG2 VAL 19 5.235 -4.236 3.184 162 H ARG 20 H ARG 20 9.005 -4.744 0.066 163 HA ARG 20 HA ARG 20 11.432 -4.121 1.281 164 HB2 ARG 20 2HB ARG 20 10.896 -5.561 -0.856 165 HB3 ARG 20 1HB ARG 20 11.183 -4.049 -1.705 166 HG2 ARG 20 2HG ARG 20 13.390 -4.050 -0.263 167 HG3 ARG 20 1HG ARG 20 13.089 -5.788 -0.230 168 HD2 ARG 20 2HD ARG 20 14.440 -5.512 -2.114 169 HD3 ARG 20 1HD ARG 20 12.807 -5.545 -2.792 170 HE ARG 20 HE ARG 20 13.893 -2.953 -2.075 171 HH11 ARG 20 1HH1 ARG 20 13.200 -5.171 -4.726 172 HH12 ARG 20 2HH1 ARG 20 13.427 -3.990 -5.946 173 HH21 ARG 20 1HH2 ARG 20 14.207 -1.385 -3.621 174 HH22 ARG 20 2HH2 ARG 20 14.052 -1.690 -5.279 175 H PHE 21 H PHE 21 9.668 -2.428 -1.259 176 HA PHE 21 HA PHE 21 11.466 -0.280 -1.541 177 HB2 PHE 21 2HB PHE 21 8.630 -0.655 -2.371 178 HB3 PHE 21 1HB PHE 21 9.424 0.897 -2.569 179 HD1 PHE 21 2HD PHE 21 11.215 1.167 -4.128 180 HD2 PHE 21 1HD PHE 21 9.223 -2.533 -3.725 181 HE1 PHE 21 2HE PHE 21 12.119 0.463 -6.310 182 HE2 PHE 21 1HE PHE 21 10.098 -3.269 -5.898 183 HZ PHE 21 HZ PHE 21 11.564 -1.770 -7.202 184 H VAL 22 H VAL 22 8.486 -0.545 0.400 185 HA VAL 22 HA VAL 22 8.764 2.161 1.121 186 HB VAL 22 HB VAL 22 6.964 1.778 2.800 187 HG11 VAL 22 1HG1 VAL 22 6.410 0.758 0.015 188 HG12 VAL 22 2HG1 VAL 22 6.405 2.443 0.533 189 HG13 VAL 22 3HG1 VAL 22 5.186 1.329 1.150 190 HG21 VAL 22 3HG2 VAL 22 6.992 -0.999 1.690 191 HG22 VAL 22 1HG2 VAL 22 5.788 -0.379 2.825 192 HG23 VAL 22 2HG2 VAL 22 7.483 -0.555 3.327 193 H GLN 23 H GLN 23 9.784 -0.857 2.589 194 HA GLN 23 HA GLN 23 10.649 0.212 5.042 195 HB2 GLN 23 2HB GLN 23 10.407 -2.208 4.630 196 HB3 GLN 23 1HB GLN 23 11.753 -2.151 3.501 197 HG2 GLN 23 2HG GLN 23 12.477 -3.056 5.623 198 HG3 GLN 23 1HG GLN 23 13.248 -1.498 5.334 199 HE21 GLN 23 1HE2 GLN 23 13.641 -1.123 7.496 200 HE22 GLN 23 2HE2 GLN 23 12.362 -0.763 8.611 201 H GLU 24 H GLU 24 12.449 -0.319 1.969 202 HA GLU 24 HA GLU 24 14.852 0.829 2.965 203 HB2 GLU 24 2HB GLU 24 15.639 0.786 0.627 204 HB3 GLU 24 1HB GLU 24 14.899 -0.739 1.081 205 HG2 GLU 24 2HG GLU 24 12.789 0.141 -0.011 206 HG3 GLU 24 1HG GLU 24 13.801 1.407 -0.700 207 H HIS 25 H HIS 25 11.969 2.141 1.896 208 HA HIS 25 HA HIS 25 13.012 4.722 1.173 209 HB2 HIS 25 2HB HIS 25 10.932 3.731 0.205 210 HB3 HIS 25 1HB HIS 25 10.137 3.963 1.755 211 HD1 HIS 25 1HD HIS 25 9.320 6.277 2.305 212 HD2 HIS 25 2HD HIS 25 11.557 6.181 -1.169 213 HE1 HIS 25 1HE HIS 25 9.002 8.529 1.252 214 HE2 HIS 25 2HE HIS 25 10.784 8.537 -0.484 215 H SER 26 H SER 26 13.767 3.783 3.737 216 HA SER 26 HA SER 26 12.458 5.090 5.873 217 HB2 SER 26 2HB SER 26 15.446 4.664 5.539 218 HB3 SER 26 1HB SER 26 14.586 4.907 7.057 219 HG SER 26 HG SER 26 13.534 2.789 5.676 220 H SER 27 H SER 27 14.731 6.162 3.449 221 HA SER 27 HA SER 27 14.830 8.884 4.433 222 HB2 SER 27 2HB SER 27 15.974 7.647 1.912 223 HB3 SER 27 1HB SER 27 16.393 9.222 2.591 224 HG SER 27 HG SER 27 17.649 7.056 3.078 225 H SER 28 H SER 28 13.856 10.626 3.322 226 HA SER 28 HA SER 28 11.402 10.230 2.080 227 HB2 SER 28 2HB SER 28 12.039 12.363 3.153 228 HB3 SER 28 1HB SER 28 13.228 12.654 1.886 229 HG SER 28 HG SER 28 10.396 12.572 1.642 230 H GLN 29 H GLN 29 14.519 11.064 0.615 231 HA GLN 29 HA GLN 29 15.535 10.554 -1.301 232 HB2 GLN 29 2HB GLN 29 14.642 8.256 -0.908 233 HB3 GLN 29 1HB GLN 29 13.250 8.666 -1.901 234 HG2 GLN 29 2HG GLN 29 14.862 7.387 -3.178 235 HG3 GLN 29 1HG GLN 29 14.726 9.026 -3.816 236 HE21 GLN 29 1HE2 GLN 29 16.759 8.940 -4.761 237 HE22 GLN 29 2HE2 GLN 29 18.207 8.997 -3.815 238 H GLY 30 H GLY 30 12.099 11.093 -1.737 239 HA2 GLY 30 2HA GLY 30 12.366 12.087 -4.425 240 HA3 GLY 30 1HA GLY 30 10.908 12.110 -3.442 241 H MET 31 H MET 31 14.111 13.505 -3.250 242 HA MET 31 HA MET 31 13.121 15.981 -2.128 243 HB2 MET 31 2HB MET 31 15.934 15.222 -2.939 244 HB3 MET 31 1HB MET 31 15.487 16.629 -1.989 245 HG2 MET 31 2HG MET 31 15.213 13.739 -1.175 246 HG3 MET 31 1HG MET 31 16.396 14.892 -0.571 247 HE1 MET 31 3HE MET 31 15.763 16.979 0.984 248 HE2 MET 31 1HE MET 31 14.114 17.360 1.482 249 HE3 MET 31 2HE MET 31 14.583 17.532 -0.206 250 H ARG 32 H ARG 32 13.075 14.856 -5.093 251 HA ARG 32 HA ARG 32 13.994 17.147 -6.584 252 HB2 ARG 32 2HB ARG 32 12.265 14.811 -7.418 253 HB3 ARG 32 1HB ARG 32 12.815 16.065 -8.513 254 HG2 ARG 32 2HG ARG 32 14.566 14.134 -6.999 255 HG3 ARG 32 1HG ARG 32 14.173 14.059 -8.716 256 HD2 ARG 32 2HD ARG 32 15.743 16.237 -7.316 257 HD3 ARG 32 1HD ARG 32 16.381 15.020 -8.413 258 HE ARG 32 HE ARG 32 14.314 16.594 -9.586 259 HH11 ARG 32 1HH1 ARG 32 17.783 16.519 -8.913 260 HH12 ARG 32 2HH1 ARG 32 18.224 17.631 -10.119 261 HH21 ARG 32 1HH2 ARG 32 14.881 18.155 -11.275 262 HH22 ARG 32 2HH2 ARG 32 16.501 18.598 -11.518 263 H ASN 33 H ASN 33 11.301 16.277 -4.834 264 HA ASN 33 HA ASN 33 9.341 17.200 -4.279 265 HB2 ASN 33 2HB ASN 33 10.862 19.142 -3.853 266 HB3 ASN 33 1HB ASN 33 10.413 19.760 -5.443 267 HD21 ASN 33 1HD2 ASN 33 10.041 20.978 -2.847 268 HD22 ASN 33 2HD2 ASN 33 8.331 21.228 -2.664 269 H ILE 34 H ILE 34 7.902 16.193 -5.483 270 HA ILE 34 HA ILE 34 7.249 17.155 -8.113 271 HB ILE 34 HB ILE 34 6.954 14.781 -7.712 272 HG12 ILE 34 2HG1 ILE 34 4.413 16.308 -8.330 273 HG13 ILE 34 1HG1 ILE 34 5.559 15.477 -9.385 274 HG21 ILE 34 1HG2 ILE 34 5.206 13.893 -6.199 275 HG22 ILE 34 2HG2 ILE 34 5.037 15.554 -5.579 276 HG23 ILE 34 3HG2 ILE 34 6.565 14.705 -5.406 277 HD11 ILE 34 3HD1 ILE 34 4.723 13.299 -8.644 278 HD12 ILE 34 1HD1 ILE 34 3.410 14.287 -9.278 279 HD13 ILE 34 2HD1 ILE 34 3.626 14.076 -7.542 280 H LYS 35 H LYS 35 7.069 19.218 -7.347 281 HA LYS 35 HA LYS 35 6.071 21.172 -6.758 282 HB2 LYS 35 2HB LYS 35 3.854 19.888 -8.337 283 HB3 LYS 35 1HB LYS 35 3.907 21.595 -7.917 284 HG2 LYS 35 2HG LYS 35 6.026 21.812 -9.154 285 HG3 LYS 35 1HG LYS 35 5.917 20.110 -9.604 286 HD2 LYS 35 2HD LYS 35 3.815 20.552 -10.779 287 HD3 LYS 35 1HD LYS 35 3.905 22.249 -10.309 288 HE2 LYS 35 2HE LYS 35 6.013 22.470 -11.553 289 HE3 LYS 35 1HE LYS 35 5.897 20.780 -12.038 290 HZ1 LYS 35 3HZ LYS 35 3.835 21.303 -13.201 291 HZ2 LYS 35 1HZ LYS 35 5.113 22.250 -13.777 292 HZ3 LYS 35 2HZ LYS 35 3.962 22.924 -12.740 293 H HIS 36 H HIS 36 6.079 20.882 -4.496 294 HA HIS 36 HA HIS 36 3.528 21.481 -3.387 295 HB2 HIS 36 2HB HIS 36 3.472 19.651 -1.696 296 HB3 HIS 36 1HB HIS 36 3.229 19.073 -3.334 297 HD1 HIS 36 1HD HIS 36 5.147 17.651 -4.368 298 HD2 HIS 36 2HD HIS 36 5.742 18.643 -0.378 299 HE1 HIS 36 1HE HIS 36 6.918 16.071 -3.525 300 HE2 HIS 36 2HE HIS 36 7.391 16.794 -1.198 301 H VAL 37 H VAL 37 3.682 22.471 -1.411 302 HA VAL 37 HA VAL 37 6.390 23.024 -0.579 303 HB VAL 37 HB VAL 37 5.337 24.820 0.884 304 HG11 VAL 37 1HG1 VAL 37 6.325 25.371 -1.273 305 HG12 VAL 37 2HG1 VAL 37 4.899 26.366 -0.979 306 HG13 VAL 37 3HG1 VAL 37 4.803 24.996 -2.083 307 HG21 VAL 37 3HG2 VAL 37 3.059 23.897 1.027 308 HG22 VAL 37 1HG2 VAL 37 2.846 24.150 -0.706 309 HG23 VAL 37 2HG2 VAL 37 3.035 25.535 0.370 310 H GLY 38 H GLY 38 7.213 21.709 0.812 311 HA2 GLY 38 2HA GLY 38 6.908 21.279 3.313 312 HA3 GLY 38 1HA GLY 38 5.466 20.423 2.764 313 HA PRO 39 HA PRO 39 9.319 17.701 2.507 314 HB2 PRO 39 2HB PRO 39 8.795 15.998 4.548 315 HB3 PRO 39 1HB PRO 39 9.678 17.518 4.799 316 HG2 PRO 39 2HG PRO 39 6.825 16.905 5.350 317 HG3 PRO 39 1HG PRO 39 7.983 17.852 6.306 318 HD2 PRO 39 2HD PRO 39 6.116 19.000 4.702 319 HD3 PRO 39 1HD PRO 39 7.685 19.745 5.061 320 H SER 40 H SER 40 9.302 15.778 1.421 321 HA SER 40 HA SER 40 6.750 14.771 0.571 322 HB2 SER 40 2HB SER 40 9.529 13.816 -0.164 323 HB3 SER 40 1HB SER 40 8.034 13.535 -1.058 324 HG SER 40 HG SER 40 9.666 15.370 -1.555 325 H GLY 41 H GLY 41 6.147 13.973 2.725 326 HA2 GLY 41 2HA GLY 41 6.961 11.219 3.055 327 HA3 GLY 41 1HA GLY 41 7.436 12.284 4.366 328 H ARG 42 H ARG 42 4.626 11.193 2.521 329 HA ARG 42 HA ARG 42 3.167 11.085 5.039 330 HB2 ARG 42 2HB ARG 42 2.037 12.173 2.450 331 HB3 ARG 42 1HB ARG 42 1.067 11.735 3.841 332 HG2 ARG 42 2HG ARG 42 2.359 13.448 5.149 333 HG3 ARG 42 1HG ARG 42 3.064 13.966 3.615 334 HD2 ARG 42 2HD ARG 42 0.804 14.346 2.734 335 HD3 ARG 42 1HD ARG 42 0.139 13.878 4.298 336 HE ARG 42 HE ARG 42 2.002 16.113 4.095 337 HH11 ARG 42 1HH1 ARG 42 -1.173 14.870 5.095 338 HH12 ARG 42 2HH1 ARG 42 -1.791 16.369 5.588 339 HH21 ARG 42 1HH2 ARG 42 1.171 18.221 4.819 340 HH22 ARG 42 2HH2 ARG 42 -0.401 18.349 5.442 341 H PHE 43 H PHE 43 2.645 9.064 5.350 342 HA PHE 43 HA PHE 43 2.386 7.351 2.999 343 HB2 PHE 43 2HB PHE 43 3.100 6.611 5.846 344 HB3 PHE 43 1HB PHE 43 2.973 5.492 4.498 345 HD1 PHE 43 1HD PHE 43 4.651 5.534 2.694 346 HD2 PHE 43 2HD PHE 43 5.028 7.985 6.153 347 HE1 PHE 43 1HE PHE 43 7.025 5.906 2.170 348 HE2 PHE 43 2HE PHE 43 7.400 8.363 5.633 349 HZ PHE 43 HZ PHE 43 8.401 7.325 3.642 350 H THR 44 H THR 44 0.329 7.125 2.547 351 HA THR 44 HA THR 44 -1.505 6.199 4.628 352 HB THR 44 HB THR 44 -3.365 7.345 3.424 353 HG1 THR 44 1HG THR 44 -2.074 9.065 1.896 354 HG21 THR 44 3HG2 THR 44 -1.127 9.283 4.030 355 HG22 THR 44 1HG2 THR 44 -2.303 8.666 5.189 356 HG23 THR 44 2HG2 THR 44 -2.828 9.711 3.870 357 H MET 45 H MET 45 -3.035 4.527 3.626 358 HA MET 45 HA MET 45 -1.640 2.924 1.839 359 HB2 MET 45 2HB MET 45 -3.626 1.547 1.534 360 HB3 MET 45 1HB MET 45 -3.444 1.976 3.223 361 HG2 MET 45 2HG MET 45 -5.295 3.443 3.153 362 HG3 MET 45 1HG MET 45 -5.298 3.499 1.397 363 HE1 MET 45 3HE MET 45 -6.464 -0.319 3.737 364 HE2 MET 45 1HE MET 45 -5.877 1.145 4.524 365 HE3 MET 45 2HE MET 45 -4.801 0.203 3.492 366 H ASN 46 H ASN 46 -3.904 5.442 1.255 367 HA ASN 46 HA ASN 46 -4.452 4.752 -1.466 368 HB2 ASN 46 2HB ASN 46 -5.854 6.199 0.196 369 HB3 ASN 46 1HB ASN 46 -4.831 7.517 -0.355 370 HD21 ASN 46 1HD2 ASN 46 -7.697 7.041 -0.643 371 HD22 ASN 46 2HD2 ASN 46 -8.018 7.079 -2.331 372 H MET 47 H MET 47 -2.121 6.816 0.195 373 HA MET 47 HA MET 47 -1.063 8.132 -2.096 374 HB2 MET 47 2HB MET 47 -0.632 8.888 0.236 375 HB3 MET 47 1HB MET 47 0.269 7.419 0.534 376 HG2 MET 47 2HG MET 47 1.824 9.202 0.201 377 HG3 MET 47 1HG MET 47 1.916 8.122 -1.182 378 HE1 MET 47 3HE MET 47 -0.181 12.247 -1.290 379 HE2 MET 47 1HE MET 47 0.567 11.571 0.156 380 HE3 MET 47 2HE MET 47 -0.903 10.847 -0.504 381 H LEU 48 H LEU 48 -0.403 5.135 -0.392 382 HA LEU 48 HA LEU 48 1.896 4.406 -1.836 383 HB2 LEU 48 2HB LEU 48 -0.094 2.597 -0.460 384 HB3 LEU 48 1HB LEU 48 1.514 2.140 -0.976 385 HG LEU 48 HG LEU 48 0.813 4.093 1.212 386 HD11 LEU 48 1HD1 LEU 48 0.491 1.793 1.855 387 HD12 LEU 48 2HD1 LEU 48 1.896 2.473 2.675 388 HD13 LEU 48 3HD1 LEU 48 2.116 1.387 1.303 389 HD21 LEU 48 3HD2 LEU 48 2.797 4.881 0.079 390 HD22 LEU 48 1HD2 LEU 48 3.526 3.273 0.169 391 HD23 LEU 48 2HD2 LEU 48 3.232 4.196 1.644 392 H VAL 49 H VAL 49 -1.607 3.718 -2.405 393 HA VAL 49 HA VAL 49 -1.364 2.036 -4.549 394 HB VAL 49 HB VAL 49 -3.425 4.033 -3.629 395 HG11 VAL 49 1HG1 VAL 49 -4.985 2.794 -5.006 396 HG12 VAL 49 2HG1 VAL 49 -3.574 1.904 -5.679 397 HG13 VAL 49 3HG1 VAL 49 -3.712 3.664 -5.890 398 HG21 VAL 49 3HG2 VAL 49 -3.209 1.064 -3.320 399 HG22 VAL 49 1HG2 VAL 49 -4.571 2.072 -2.792 400 HG23 VAL 49 2HG2 VAL 49 -2.965 2.306 -2.090 401 H ASP 50 H ASP 50 -1.706 5.481 -4.208 402 HA ASP 50 HA ASP 50 -1.927 6.160 -6.931 403 HB2 ASP 50 2HB ASP 50 -2.384 7.625 -4.846 404 HB3 ASP 50 1HB ASP 50 -0.662 7.987 -4.890 405 H ILE 51 H ILE 51 0.870 6.047 -4.797 406 HA ILE 51 HA ILE 51 2.848 6.685 -6.684 407 HB ILE 51 HB ILE 51 2.937 5.183 -4.063 408 HG12 ILE 51 2HG1 ILE 51 3.945 7.880 -4.911 409 HG13 ILE 51 1HG1 ILE 51 2.458 7.591 -4.005 410 HG21 ILE 51 1HG2 ILE 51 5.399 5.349 -4.123 411 HG22 ILE 51 2HG2 ILE 51 5.282 5.901 -5.798 412 HG23 ILE 51 3HG2 ILE 51 4.759 4.277 -5.374 413 HD11 ILE 51 3HD1 ILE 51 4.187 8.399 -2.595 414 HD12 ILE 51 1HD1 ILE 51 5.283 7.129 -3.141 415 HD13 ILE 51 2HD1 ILE 51 3.860 6.707 -2.169 416 H PHE 52 H PHE 52 1.590 3.587 -5.557 417 HA PHE 52 HA PHE 52 3.286 1.830 -6.873 418 HB2 PHE 52 2HB PHE 52 1.633 1.338 -5.033 419 HB3 PHE 52 1HB PHE 52 0.365 1.393 -6.237 420 HD1 PHE 52 1HD PHE 52 3.702 -0.253 -5.952 421 HD2 PHE 52 2HD PHE 52 -0.454 -0.683 -6.729 422 HE1 PHE 52 1HE PHE 52 4.020 -2.671 -6.264 423 HE2 PHE 52 2HE PHE 52 -0.144 -3.098 -7.054 424 HZ PHE 52 HZ PHE 52 2.092 -4.099 -6.818 425 H LEU 53 H LEU 53 0.199 3.194 -7.942 426 HA LEU 53 HA LEU 53 0.395 1.935 -10.493 427 HB2 LEU 53 2HB LEU 53 -1.558 3.799 -9.254 428 HB3 LEU 53 1HB LEU 53 -1.499 3.755 -11.000 429 HG LEU 53 HG LEU 53 -2.012 1.328 -10.939 430 HD11 LEU 53 1HD1 LEU 53 -2.304 1.720 -7.980 431 HD12 LEU 53 2HD1 LEU 53 -1.244 0.567 -8.857 432 HD13 LEU 53 3HD1 LEU 53 -3.000 0.405 -8.917 433 HD21 LEU 53 3HD2 LEU 53 -4.291 1.498 -10.226 434 HD22 LEU 53 1HD2 LEU 53 -3.814 2.850 -11.272 435 HD23 LEU 53 2HD2 LEU 53 -3.954 3.090 -9.519 436 H GLY 54 H GLY 54 1.415 5.009 -9.231 437 HA2 GLY 54 2HA GLY 54 3.219 6.175 -10.305 438 HA3 GLY 54 1HA GLY 54 2.679 5.524 -11.843 439 H SER 55 H SER 55 0.548 6.964 -9.527 440 HA SER 55 HA SER 55 -0.485 8.763 -11.515 441 HB2 SER 55 2HB SER 55 -1.817 7.379 -9.839 442 HB3 SER 55 1HB SER 55 -1.164 8.415 -8.629 443 HG SER 55 HG SER 55 -2.807 9.535 -8.947 444 H LYS 56 H LYS 56 -1.214 10.990 -10.068 445 HA LYS 56 HA LYS 56 1.357 12.074 -9.219 446 HB2 LYS 56 2HB LYS 56 -0.462 13.330 -11.239 447 HB3 LYS 56 1HB LYS 56 0.547 14.361 -10.236 448 HG2 LYS 56 2HG LYS 56 1.755 13.989 -12.247 449 HG3 LYS 56 1HG LYS 56 2.529 13.006 -11.012 450 HD2 LYS 56 2HD LYS 56 0.917 11.144 -11.925 451 HD3 LYS 56 1HD LYS 56 0.882 12.171 -13.358 452 HE2 LYS 56 2HE LYS 56 2.614 10.501 -13.607 453 HE3 LYS 56 1HE LYS 56 3.356 12.093 -13.427 454 HZ1 LYS 56 3HZ LYS 56 2.960 10.214 -11.179 455 HZ2 LYS 56 1HZ LYS 56 3.915 11.588 -11.142 456 HZ3 LYS 56 2HZ LYS 56 4.397 10.249 -12.048 457 H SER 57 H SER 57 -1.395 11.327 -7.869 458 HA SER 57 HA SER 57 -1.810 13.733 -6.329 459 HB2 SER 57 2HB SER 57 -2.564 10.949 -5.445 460 HB3 SER 57 1HB SER 57 -3.428 12.462 -5.164 461 HG SER 57 HG SER 57 -3.647 10.673 -7.086 462 H ALA 58 H ALA 58 -0.080 10.773 -6.371 463 HA ALA 58 HA ALA 58 1.230 10.437 -4.060 464 HB1 ALA 58 1HB ALA 58 2.259 10.261 -6.881 465 HB2 ALA 58 2HB ALA 58 1.308 9.040 -6.082 466 HB3 ALA 58 3HB ALA 58 2.935 9.435 -5.475 467 H LYS 59 H LYS 59 2.439 11.774 -2.942 468 HA LYS 59 HA LYS 59 3.741 13.987 -4.343 469 HB2 LYS 59 2HB LYS 59 3.076 13.688 -1.421 470 HB3 LYS 59 1HB LYS 59 4.013 15.017 -2.070 471 HG2 LYS 59 2HG LYS 59 1.181 14.424 -2.952 472 HG3 LYS 59 1HG LYS 59 1.555 15.468 -1.593 473 HD2 LYS 59 2HD LYS 59 1.225 16.978 -3.372 474 HD3 LYS 59 1HD LYS 59 2.970 16.830 -3.279 475 HE2 LYS 59 2HE LYS 59 2.194 16.867 -5.580 476 HE3 LYS 59 1HE LYS 59 2.921 15.312 -5.274 477 HZ1 LYS 59 3HZ LYS 59 0.024 15.957 -5.414 478 HZ2 LYS 59 1HZ LYS 59 0.614 14.458 -4.917 479 HZ3 LYS 59 2HZ LYS 59 0.899 14.986 -6.475 480 H ILE 60 H ILE 60 4.567 11.065 -3.772 481 HA ILE 60 HA ILE 60 7.352 11.803 -3.296 482 HB ILE 60 HB ILE 60 6.036 9.192 -2.447 483 HG12 ILE 60 2HG1 ILE 60 7.054 11.459 -0.711 484 HG13 ILE 60 1HG1 ILE 60 5.357 11.129 -1.027 485 HG21 ILE 60 1HG2 ILE 60 8.197 8.745 -1.355 486 HG22 ILE 60 2HG2 ILE 60 8.831 10.252 -2.017 487 HG23 ILE 60 3HG2 ILE 60 8.372 8.939 -3.100 488 HD11 ILE 60 3HD1 ILE 60 6.053 10.305 1.146 489 HD12 ILE 60 1HD1 ILE 60 7.287 9.311 0.366 490 HD13 ILE 60 2HD1 ILE 60 5.574 8.975 0.080 491 H GLN 61 H GLN 61 8.497 11.338 -5.110 492 HA GLN 61 HA GLN 61 7.264 9.556 -7.108 493 HB2 GLN 61 2HB GLN 61 9.340 11.753 -7.476 494 HB3 GLN 61 1HB GLN 61 8.695 10.757 -8.769 495 HG2 GLN 61 2HG GLN 61 7.200 12.719 -7.081 496 HG3 GLN 61 1HG GLN 61 7.726 12.943 -8.749 497 HE21 GLN 61 1HE2 GLN 61 5.403 11.505 -6.630 498 HE22 GLN 61 2HE2 GLN 61 4.342 10.943 -7.847 499 H SER 62 H SER 62 8.780 8.550 -4.862 500 HA SER 62 HA SER 62 10.909 7.221 -6.331 501 HB2 SER 62 2HB SER 62 11.336 8.538 -3.637 502 HB3 SER 62 1HB SER 62 12.531 7.602 -4.542 503 HG SER 62 HG SER 62 11.740 9.318 -6.243 504 H GLY 63 H GLY 63 10.821 5.085 -6.000 505 HA2 GLY 63 2HA GLY 63 10.861 3.384 -4.142 506 HA3 GLY 63 1HA GLY 63 9.296 4.074 -3.704 507 H ILE 64 H ILE 64 7.850 2.574 -4.247 508 HA ILE 64 HA ILE 64 8.023 0.926 -6.589 509 HB ILE 64 HB ILE 64 5.512 0.579 -5.987 510 HG12 ILE 64 2HG1 ILE 64 6.598 1.581 -3.344 511 HG13 ILE 64 1HG1 ILE 64 5.347 2.358 -4.308 512 HG21 ILE 64 1HG2 ILE 64 6.102 -1.245 -4.487 513 HG22 ILE 64 2HG2 ILE 64 7.770 -0.647 -4.506 514 HG23 ILE 64 3HG2 ILE 64 6.984 -1.153 -6.009 515 HD11 ILE 64 3HD1 ILE 64 3.886 0.441 -3.917 516 HD12 ILE 64 1HD1 ILE 64 4.420 1.170 -2.400 517 HD13 ILE 64 2HD1 ILE 64 5.160 -0.330 -2.972 518 H PHE 65 H PHE 65 8.048 3.717 -7.167 519 HA PHE 65 HA PHE 65 5.477 4.626 -7.864 520 HB2 PHE 65 2HB PHE 65 7.618 6.040 -7.414 521 HB3 PHE 65 1HB PHE 65 7.959 5.759 -9.126 522 HD1 PHE 65 1HD PHE 65 5.755 7.391 -6.722 523 HD2 PHE 65 2HD PHE 65 6.486 6.669 -10.859 524 HE1 PHE 65 1HE PHE 65 4.136 8.954 -7.228 525 HE2 PHE 65 2HE PHE 65 4.804 8.361 -11.405 526 HZ PHE 65 HZ PHE 65 3.605 9.505 -9.598 527 H GLY 66 H GLY 66 4.306 3.827 -9.327 528 HA2 GLY 66 2HA GLY 66 3.543 3.027 -11.331 529 HA3 GLY 66 1HA GLY 66 4.995 3.701 -12.058 530 H LYS 67 H LYS 67 4.928 1.235 -9.527 531 HA LYS 67 HA LYS 67 6.174 -0.575 -11.470 532 HB2 LYS 67 2HB LYS 67 6.132 -0.729 -8.452 533 HB3 LYS 67 1HB LYS 67 6.923 -1.886 -9.502 534 HG2 LYS 67 2HG LYS 67 7.703 1.035 -9.384 535 HG3 LYS 67 1HG LYS 67 8.400 -0.187 -8.335 536 HD2 LYS 67 2HD LYS 67 9.953 0.139 -10.104 537 HD3 LYS 67 1HD LYS 67 9.165 -1.393 -10.432 538 HE2 LYS 67 2HE LYS 67 9.522 -0.051 -12.439 539 HE3 LYS 67 1HE LYS 67 7.816 -0.330 -12.209 540 HZ1 LYS 67 3HZ LYS 67 8.112 1.940 -12.797 541 HZ2 LYS 67 1HZ LYS 67 9.337 2.184 -11.655 542 HZ3 LYS 67 2HZ LYS 67 7.753 1.965 -11.170 543 H GLY 68 H GLY 68 3.341 -0.111 -9.612 544 HA2 GLY 68 2HA GLY 68 2.403 -2.755 -10.482 545 HA3 GLY 68 1HA GLY 68 1.909 -2.005 -8.962 546 H SER 69 H SER 69 2.261 -0.914 -12.264 547 HA SER 69 HA SER 69 -0.042 0.816 -12.043 548 HB2 SER 69 2HB SER 69 2.210 1.376 -13.152 549 HB3 SER 69 1HB SER 69 1.707 0.319 -14.465 550 HG SER 69 HG SER 69 0.675 2.788 -13.636 551 H ALA 70 H ALA 70 0.108 -2.321 -12.360 552 HA ALA 70 HA ALA 70 -1.839 -2.491 -14.509 553 HB1 ALA 70 1HB ALA 70 0.079 -4.029 -14.716 554 HB2 ALA 70 2HB ALA 70 -1.433 -4.919 -14.520 555 HB3 ALA 70 3HB ALA 70 -0.332 -4.739 -13.155 556 H TYR 71 H TYR 71 -1.869 -1.824 -11.513 557 HA TYR 71 HA TYR 71 -4.177 -3.480 -10.783 558 HB2 TYR 71 2HB TYR 71 -2.406 -1.633 -9.212 559 HB3 TYR 71 1HB TYR 71 -3.934 -2.191 -8.589 560 HD1 TYR 71 2HD TYR 71 -0.649 -3.492 -9.847 561 HD2 TYR 71 1HD TYR 71 -4.098 -4.245 -7.466 562 HE1 TYR 71 2HE TYR 71 0.392 -5.564 -9.001 563 HE2 TYR 71 1HE TYR 71 -3.070 -6.315 -6.622 564 HH TYR 71 HH TYR 71 0.180 -7.075 -6.933 565 H SER 72 H SER 72 -6.112 -2.424 -10.202 566 HA SER 72 HA SER 72 -6.271 0.293 -11.199 567 HB2 SER 72 2HB SER 72 -8.017 -1.282 -12.003 568 HB3 SER 72 1HB SER 72 -8.491 -1.602 -10.335 569 HG SER 72 HG SER 72 -9.586 0.105 -11.787 570 H ARG 73 H ARG 73 -7.650 1.720 -9.771 571 HA ARG 73 HA ARG 73 -6.174 2.285 -7.456 572 HB2 ARG 73 2HB ARG 73 -8.975 3.188 -8.106 573 HB3 ARG 73 1HB ARG 73 -7.972 3.861 -6.834 574 HG2 ARG 73 2HG ARG 73 -7.350 3.926 -9.777 575 HG3 ARG 73 1HG ARG 73 -8.010 5.262 -8.835 576 HD2 ARG 73 2HD ARG 73 -5.341 3.931 -8.393 577 HD3 ARG 73 1HD ARG 73 -5.596 5.483 -9.183 578 HE ARG 73 HE ARG 73 -6.409 5.073 -6.383 579 HH11 ARG 73 1HH1 ARG 73 -4.493 6.841 -8.807 580 HH12 ARG 73 2HH1 ARG 73 -3.858 7.915 -7.630 581 HH21 ARG 73 1HH2 ARG 73 -5.421 6.665 -4.792 582 HH22 ARG 73 2HH2 ARG 73 -4.373 7.810 -5.465 583 H HIS 74 H HIS 74 -9.108 0.498 -7.811 584 HA HIS 74 HA HIS 74 -9.412 0.516 -4.911 585 HB2 HIS 74 2HB HIS 74 -11.482 0.779 -6.435 586 HB3 HIS 74 1HB HIS 74 -11.374 -0.971 -6.672 587 HD1 HIS 74 1HD HIS 74 -12.630 -2.388 -4.829 588 HD2 HIS 74 2HD HIS 74 -11.587 1.452 -3.585 589 HE1 HIS 74 1HE HIS 74 -13.331 -2.230 -2.497 590 HE2 HIS 74 2HE HIS 74 -12.029 -0.223 -1.776 591 H ASN 75 H ASN 75 -8.213 -1.526 -7.306 592 HA ASN 75 HA ASN 75 -8.513 -3.952 -5.778 593 HB2 ASN 75 2HB ASN 75 -6.803 -3.395 -8.223 594 HB3 ASN 75 1HB ASN 75 -7.188 -4.990 -7.574 595 HD21 ASN 75 1HD2 ASN 75 -9.237 -5.834 -7.920 596 HD22 ASN 75 2HD2 ASN 75 -10.372 -5.108 -9.004 597 H ALA 76 H ALA 76 -6.016 -1.600 -6.507 598 HA ALA 76 HA ALA 76 -3.928 -2.840 -5.110 599 HB1 ALA 76 1HB ALA 76 -2.903 -0.611 -5.094 600 HB2 ALA 76 2HB ALA 76 -4.455 0.078 -5.582 601 HB3 ALA 76 3HB ALA 76 -3.584 -0.992 -6.683 602 H GLU 77 H GLU 77 -6.368 -0.425 -4.095 603 HA GLU 77 HA GLU 77 -5.335 -0.349 -1.447 604 HB2 GLU 77 2HB GLU 77 -7.164 1.079 -0.896 605 HB3 GLU 77 1HB GLU 77 -6.517 1.535 -2.475 606 HG2 GLU 77 2HG GLU 77 -8.670 1.641 -3.050 607 HG3 GLU 77 1HG GLU 77 -8.521 -0.113 -3.171 608 H ARG 78 H ARG 78 -7.414 -2.383 -3.061 609 HA ARG 78 HA ARG 78 -8.917 -3.500 -0.908 610 HB2 ARG 78 2HB ARG 78 -9.628 -3.947 -3.192 611 HB3 ARG 78 1HB ARG 78 -8.065 -4.622 -3.600 612 HG2 ARG 78 2HG ARG 78 -9.619 -6.412 -3.437 613 HG3 ARG 78 1HG ARG 78 -8.546 -6.499 -2.043 614 HD2 ARG 78 2HD ARG 78 -10.738 -6.933 -1.250 615 HD3 ARG 78 1HD ARG 78 -10.323 -5.304 -0.731 616 HE ARG 78 HE ARG 78 -11.762 -5.360 -3.227 617 HH11 ARG 78 1HH1 ARG 78 -12.153 -5.477 0.269 618 HH12 ARG 78 2HH1 ARG 78 -13.771 -4.917 0.276 619 HH21 ARG 78 1HH2 ARG 78 -13.882 -4.574 -3.275 620 HH22 ARG 78 2HH2 ARG 78 -14.834 -4.400 -1.877 621 H LEU 79 H LEU 79 -5.812 -4.035 -2.322 622 HA LEU 79 HA LEU 79 -5.134 -6.363 -0.816 623 HB2 LEU 79 2HB LEU 79 -4.265 -5.309 -3.015 624 HB3 LEU 79 1HB LEU 79 -3.158 -4.514 -1.918 625 HG LEU 79 HG LEU 79 -3.583 -7.418 -2.129 626 HD11 LEU 79 1HD1 LEU 79 -1.543 -5.514 -2.991 627 HD12 LEU 79 2HD1 LEU 79 -2.728 -6.320 -4.048 628 HD13 LEU 79 3HD1 LEU 79 -1.368 -7.272 -3.288 629 HD21 LEU 79 3HD2 LEU 79 -1.427 -7.633 -0.925 630 HD22 LEU 79 1HD2 LEU 79 -2.666 -6.826 0.037 631 HD23 LEU 79 2HD2 LEU 79 -1.394 -5.877 -0.735 632 H PHE 80 H PHE 80 -4.256 -2.916 -0.671 633 HA PHE 80 HA PHE 80 -2.701 -3.208 1.657 634 HB2 PHE 80 2HB PHE 80 -4.125 -0.769 0.574 635 HB3 PHE 80 1HB PHE 80 -3.093 -0.723 1.998 636 HD1 PHE 80 2HD PHE 80 -0.664 -1.353 1.750 637 HD2 PHE 80 1HD PHE 80 -3.207 -0.668 -1.582 638 HE1 PHE 80 2HE PHE 80 1.310 -1.027 0.313 639 HE2 PHE 80 1HE PHE 80 -1.245 -0.343 -3.023 640 HZ PHE 80 HZ PHE 80 1.009 -0.518 -2.086 641 H LYS 81 H LYS 81 -5.917 -3.405 1.121 642 HA LYS 81 HA LYS 81 -6.599 -2.796 3.879 643 HB2 LYS 81 2HB LYS 81 -8.354 -3.421 1.541 644 HB3 LYS 81 1HB LYS 81 -8.986 -3.609 3.174 645 HG2 LYS 81 2HG LYS 81 -8.393 -1.290 3.656 646 HG3 LYS 81 1HG LYS 81 -7.807 -1.103 2.008 647 HD2 LYS 81 2HD LYS 81 -10.016 -1.440 1.129 648 HD3 LYS 81 1HD LYS 81 -10.635 -1.849 2.734 649 HE2 LYS 81 2HE LYS 81 -11.202 0.455 2.120 650 HE3 LYS 81 1HE LYS 81 -10.136 0.402 3.521 651 HZ1 LYS 81 3HZ LYS 81 -9.421 1.108 0.726 652 HZ2 LYS 81 1HZ LYS 81 -8.258 0.873 1.935 653 HZ3 LYS 81 2HZ LYS 81 -9.386 2.103 2.062 654 H LYS 82 H LYS 82 -5.910 -5.469 1.874 655 HA LYS 82 HA LYS 82 -6.947 -7.458 3.628 656 HB2 LYS 82 2HB LYS 82 -6.465 -7.808 1.197 657 HB3 LYS 82 1HB LYS 82 -4.761 -7.574 1.526 658 HG2 LYS 82 2HG LYS 82 -5.285 -9.918 1.261 659 HG3 LYS 82 1HG LYS 82 -4.755 -9.581 2.908 660 HD2 LYS 82 2HD LYS 82 -7.005 -9.665 3.723 661 HD3 LYS 82 1HD LYS 82 -7.650 -9.751 2.081 662 HE2 LYS 82 2HE LYS 82 -7.688 -11.965 3.068 663 HE3 LYS 82 1HE LYS 82 -6.482 -11.885 1.783 664 HZ1 LYS 82 3HZ LYS 82 -5.594 -13.068 3.540 665 HZ2 LYS 82 1HZ LYS 82 -5.873 -11.857 4.713 666 HZ3 LYS 82 2HZ LYS 82 -4.799 -11.538 3.545 667 H LEU 83 H LEU 83 -3.860 -5.977 2.916 668 HA LEU 83 HA LEU 83 -2.250 -7.218 4.767 669 HB2 LEU 83 2HB LEU 83 -2.081 -4.465 3.696 670 HB3 LEU 83 1HB LEU 83 -0.823 -5.319 4.588 671 HG LEU 83 HG LEU 83 -2.050 -6.281 2.064 672 HD11 LEU 83 1HD1 LEU 83 -0.832 -4.263 1.740 673 HD12 LEU 83 2HD1 LEU 83 0.042 -5.642 1.028 674 HD13 LEU 83 3HD1 LEU 83 0.553 -4.959 2.604 675 HD21 LEU 83 3HD2 LEU 83 0.328 -7.253 3.636 676 HD22 LEU 83 1HD2 LEU 83 -0.098 -7.805 2.017 677 HD23 LEU 83 2HD2 LEU 83 -1.192 -8.114 3.355 678 H ILE 84 H ILE 84 -4.301 -4.316 5.251 679 HA ILE 84 HA ILE 84 -3.202 -3.986 7.856 680 HB ILE 84 HB ILE 84 -4.835 -2.179 8.215 681 HG12 ILE 84 2HG1 ILE 84 -6.063 -1.399 5.991 682 HG13 ILE 84 1HG1 ILE 84 -5.913 -3.111 5.602 683 HG21 ILE 84 1HG2 ILE 84 -2.750 -1.588 7.280 684 HG22 ILE 84 2HG2 ILE 84 -3.989 -0.646 6.436 685 HG23 ILE 84 3HG2 ILE 84 -3.274 -2.057 5.668 686 HD11 ILE 84 3HD1 ILE 84 -8.108 -2.589 6.523 687 HD12 ILE 84 1HD1 ILE 84 -7.348 -1.996 8.000 688 HD13 ILE 84 2HD1 ILE 84 -7.212 -3.699 7.562 689 H LEU 85 H LEU 85 -5.840 -5.778 6.553 690 HA LEU 85 HA LEU 85 -7.176 -6.205 9.011 691 HB2 LEU 85 2HB LEU 85 -7.979 -6.388 6.544 692 HB3 LEU 85 1HB LEU 85 -7.201 -7.953 6.560 693 HG LEU 85 HG LEU 85 -9.346 -7.126 8.444 694 HD11 LEU 85 1HD1 LEU 85 -10.884 -8.484 7.003 695 HD12 LEU 85 2HD1 LEU 85 -9.563 -8.694 5.855 696 HD13 LEU 85 3HD1 LEU 85 -10.221 -7.086 6.159 697 HD21 LEU 85 3HD2 LEU 85 -8.294 -9.875 7.733 698 HD22 LEU 85 1HD2 LEU 85 -9.664 -9.568 8.802 699 HD23 LEU 85 2HD2 LEU 85 -8.048 -9.023 9.254 700 H ASP 86 H ASP 86 -4.870 -7.989 6.968 701 HA ASP 86 HA ASP 86 -4.582 -10.225 8.695 702 HB2 ASP 86 2HB ASP 86 -2.685 -9.227 6.558 703 HB3 ASP 86 1HB ASP 86 -2.591 -10.800 7.333 704 H LYS 87 H LYS 87 -3.088 -7.100 8.551 705 HA LYS 87 HA LYS 87 -2.234 -5.937 10.256 706 HB2 LYS 87 2HB LYS 87 -2.607 -8.393 11.656 707 HB3 LYS 87 1HB LYS 87 -1.112 -7.601 12.145 708 HG2 LYS 87 2HG LYS 87 -2.735 -6.703 13.538 709 HG3 LYS 87 1HG LYS 87 -2.466 -5.487 12.324 710 HD2 LYS 87 2HD LYS 87 -4.416 -6.475 11.042 711 HD3 LYS 87 1HD LYS 87 -4.801 -7.364 12.518 712 HE2 LYS 87 2HE LYS 87 -6.098 -5.337 12.451 713 HE3 LYS 87 1HE LYS 87 -4.892 -5.210 13.734 714 HZ1 LYS 87 3HZ LYS 87 -3.507 -3.880 12.303 715 HZ2 LYS 87 1HZ LYS 87 -5.030 -3.171 12.367 716 HZ3 LYS 87 2HZ LYS 87 -4.556 -4.086 11.010 717 H ILE 88 H ILE 88 -0.959 -7.562 8.104 718 HA ILE 88 HA ILE 88 1.793 -7.443 8.724 719 HB ILE 88 HB ILE 88 0.158 -7.525 6.225 720 HG12 ILE 88 2HG1 ILE 88 1.553 -9.640 5.801 721 HG13 ILE 88 1HG1 ILE 88 2.195 -9.376 7.415 722 HG21 ILE 88 1HG2 ILE 88 1.962 -6.094 5.525 723 HG22 ILE 88 2HG2 ILE 88 2.360 -7.703 4.900 724 HG23 ILE 88 3HG2 ILE 88 3.133 -7.093 6.372 725 HD11 ILE 88 3HD1 ILE 88 -0.029 -9.639 8.351 726 HD12 ILE 88 1HD1 ILE 88 0.457 -11.052 7.410 727 HD13 ILE 88 2HD1 ILE 88 -0.672 -9.885 6.727 728 H LEU 89 H LEU 89 -0.563 -5.202 7.357 729 HA LEU 89 HA LEU 89 1.271 -3.027 8.077 730 HB2 LEU 89 2HB LEU 89 -0.869 -3.183 5.980 731 HB3 LEU 89 1HB LEU 89 -0.503 -1.638 6.707 732 HG LEU 89 HG LEU 89 0.637 -1.854 4.586 733 HD11 LEU 89 1HD1 LEU 89 2.874 -1.313 5.292 734 HD12 LEU 89 2HD1 LEU 89 2.602 -2.123 6.835 735 HD13 LEU 89 3HD1 LEU 89 1.705 -0.659 6.452 736 HD21 LEU 89 3HD2 LEU 89 2.360 -3.549 4.224 737 HD22 LEU 89 1HD2 LEU 89 0.781 -4.294 4.543 738 HD23 LEU 89 2HD2 LEU 89 1.982 -4.207 5.827 739 H ASP 90 H ASP 90 0.484 -1.310 9.311 740 HA ASP 90 HA ASP 90 -2.156 -1.691 10.468 741 HB2 ASP 90 2HB ASP 90 0.431 -1.435 12.013 742 HB3 ASP 90 1HB ASP 90 -1.074 -0.843 12.700 743 H GLU 91 H GLU 91 -3.082 0.005 9.495 744 HA GLU 91 HA GLU 91 -1.792 2.594 9.824 745 HB2 GLU 91 2HB GLU 91 -3.453 3.473 8.235 746 HB3 GLU 91 1HB GLU 91 -2.537 2.143 7.563 747 HG2 GLU 91 2HG GLU 91 -4.427 0.654 7.890 748 HG3 GLU 91 1HG GLU 91 -5.332 1.964 8.639 749 H ASP 92 H ASP 92 -3.059 4.417 10.554 750 HA ASP 92 HA ASP 92 -5.324 3.716 12.272 751 HB2 ASP 92 2HB ASP 92 -3.087 3.920 13.606 752 HB3 ASP 92 1HB ASP 92 -3.174 5.638 13.234 753 H LEU 93 H LEU 93 -5.987 6.232 13.178 754 HA LEU 93 HA LEU 93 -6.712 7.372 10.568 755 HB2 LEU 93 2HB LEU 93 -8.276 7.373 13.131 756 HB3 LEU 93 1HB LEU 93 -8.753 8.212 11.671 757 HG LEU 93 HG LEU 93 -8.465 5.217 11.958 758 HD11 LEU 93 1HD1 LEU 93 -10.379 6.090 13.186 759 HD12 LEU 93 2HD1 LEU 93 -10.898 5.189 11.764 760 HD13 LEU 93 3HD1 LEU 93 -10.923 6.951 11.747 761 HD21 LEU 93 3HD2 LEU 93 -9.447 6.897 9.646 762 HD22 LEU 93 1HD2 LEU 93 -9.528 5.136 9.740 763 HD23 LEU 93 2HD2 LEU 93 -7.964 5.942 9.690 764 H TYR 94 H TYR 94 -6.907 9.509 10.259 765 HA TYR 94 HA TYR 94 -6.045 11.387 12.279 766 HB2 TYR 94 2HB TYR 94 -4.013 11.001 11.035 767 HB3 TYR 94 1HB TYR 94 -4.882 11.002 9.507 768 HD1 TYR 94 1HD TYR 94 -3.713 13.170 12.284 769 HD2 TYR 94 2HD TYR 94 -5.266 13.008 8.330 770 HE1 TYR 94 1HE TYR 94 -3.200 15.564 11.988 771 HE2 TYR 94 2HE TYR 94 -4.757 15.398 8.020 772 HH TYR 94 HH TYR 94 -2.827 17.158 10.254 773 H ILE 95 H ILE 95 -7.658 12.893 12.306 774 HA ILE 95 HA ILE 95 -9.112 13.190 9.816 775 HB ILE 95 HB ILE 95 -10.340 12.058 11.771 776 HG12 ILE 95 2HG1 ILE 95 -11.543 14.621 10.789 777 HG13 ILE 95 1HG1 ILE 95 -11.438 13.150 9.830 778 HG21 ILE 95 1HG2 ILE 95 -11.201 13.445 13.514 779 HG22 ILE 95 2HG2 ILE 95 -10.508 14.857 12.754 780 HG23 ILE 95 3HG2 ILE 95 -9.420 13.635 13.499 781 HD11 ILE 95 3HD1 ILE 95 -12.891 13.498 12.414 782 HD12 ILE 95 1HD1 ILE 95 -12.733 11.983 11.502 783 HD13 ILE 95 2HD1 ILE 95 -13.586 13.365 10.780 784 H ASN 96 H ASN 96 -9.776 15.280 9.327 785 HA ASN 96 HA ASN 96 -8.127 17.321 10.620 786 HB2 ASN 96 2HB ASN 96 -8.484 18.684 8.493 787 HB3 ASN 96 1HB ASN 96 -7.711 17.140 8.247 788 HD21 ASN 96 1HD2 ASN 96 -8.325 17.674 6.206 789 HD22 ASN 96 2HD2 ASN 96 -9.848 17.141 5.543 790 H ALA 97 H ALA 97 -9.333 19.597 10.118 791 HA ALA 97 HA ALA 97 -11.467 19.673 12.007 792 HB1 ALA 97 1HB ALA 97 -10.343 21.801 10.210 793 HB2 ALA 97 2HB ALA 97 -9.766 21.409 11.830 794 HB3 ALA 97 3HB ALA 97 -11.386 22.089 11.607 795 H ASN 98 H ASN 98 -11.747 18.510 9.096 796 HA ASN 98 HA ASN 98 -14.214 19.942 8.304 797 HB2 ASN 98 2HB ASN 98 -12.184 19.701 6.715 798 HB3 ASN 98 1HB ASN 98 -12.608 17.982 6.694 799 HD21 ASN 98 1HD2 ASN 98 -15.490 18.542 6.535 800 HD22 ASN 98 2HD2 ASN 98 -15.687 19.236 4.954 801 H ASP 99 H ASP 99 -13.052 17.370 10.011 802 HA ASP 99 HA ASP 99 -13.749 15.406 10.756 803 HB2 ASP 99 2HB ASP 99 -15.980 16.615 11.017 804 HB3 ASP 99 1HB ASP 99 -16.441 16.007 9.437 805 H GLN 100 H GLN 100 -12.582 15.805 8.151 806 HA GLN 100 HA GLN 100 -13.493 13.398 6.770 807 HB2 GLN 100 2HB GLN 100 -11.618 15.584 5.825 808 HB3 GLN 100 1HB GLN 100 -11.865 14.082 4.945 809 HG2 GLN 100 2HG GLN 100 -14.299 14.655 4.823 810 HG3 GLN 100 1HG GLN 100 -13.897 16.235 5.494 811 HE21 GLN 100 1HE2 GLN 100 -12.825 17.759 4.163 812 HE22 GLN 100 2HE2 GLN 100 -12.644 17.471 2.476 813 H ALA 101 H ALA 101 -12.683 11.686 7.538 814 HA ALA 101 HA ALA 101 -10.105 11.673 8.848 815 HB1 ALA 101 1HB ALA 101 -10.702 9.446 9.598 816 HB2 ALA 101 2HB ALA 101 -12.124 9.461 8.556 817 HB3 ALA 101 3HB ALA 101 -12.020 10.576 9.917 818 H ILE 102 H ILE 102 -8.333 10.955 8.036 819 HA ILE 102 HA ILE 102 -8.438 9.154 5.750 820 HB ILE 102 HB ILE 102 -7.704 11.405 4.987 821 HG12 ILE 102 2HG1 ILE 102 -5.412 9.419 5.008 822 HG13 ILE 102 1HG1 ILE 102 -6.765 9.389 3.888 823 HG21 ILE 102 1HG2 ILE 102 -5.496 11.072 6.980 824 HG22 ILE 102 2HG2 ILE 102 -6.800 12.265 7.034 825 HG23 ILE 102 3HG2 ILE 102 -5.570 12.350 5.764 826 HD11 ILE 102 3HD1 ILE 102 -4.801 10.335 2.843 827 HD12 ILE 102 1HD1 ILE 102 -4.685 11.556 4.114 828 HD13 ILE 102 2HD1 ILE 102 -6.057 11.564 3.006 829 H ALA 103 H ALA 103 -6.696 7.593 5.745 830 HA ALA 103 HA ALA 103 -5.727 7.127 8.465 831 HB1 ALA 103 1HB ALA 103 -6.250 5.137 6.268 832 HB2 ALA 103 2HB ALA 103 -7.320 5.467 7.627 833 HB3 ALA 103 3HB ALA 103 -5.726 4.763 7.908 834 H TYR 104 H TYR 104 -3.636 6.847 8.820 835 HA TYR 104 HA TYR 104 -1.844 7.014 6.503 836 HB2 TYR 104 2HB TYR 104 -1.376 7.964 9.349 837 HB3 TYR 104 1HB TYR 104 -0.092 7.712 8.165 838 HD1 TYR 104 2HD TYR 104 -3.338 9.581 8.433 839 HD2 TYR 104 1HD TYR 104 0.654 9.514 6.965 840 HE1 TYR 104 2HE TYR 104 -3.612 11.869 7.566 841 HE2 TYR 104 1HE TYR 104 0.384 11.798 6.098 842 HH TYR 104 HH TYR 104 -2.304 13.716 6.981 843 H VAL 105 H VAL 105 -0.070 5.691 6.420 844 HA VAL 105 HA VAL 105 -0.667 3.127 7.647 845 HB VAL 105 HB VAL 105 0.594 3.862 5.006 846 HG11 VAL 105 1HG1 VAL 105 1.217 1.515 4.667 847 HG12 VAL 105 2HG1 VAL 105 0.735 1.141 6.324 848 HG13 VAL 105 3HG1 VAL 105 2.129 2.179 6.027 849 HG21 VAL 105 3HG2 VAL 105 -1.787 3.521 5.282 850 HG22 VAL 105 1HG2 VAL 105 -1.429 1.918 5.921 851 HG23 VAL 105 2HG2 VAL 105 -1.047 2.296 4.224 852 H MET 106 H MET 106 0.555 2.061 8.811 853 HA MET 106 HA MET 106 3.375 2.735 9.144 854 HB2 MET 106 2HB MET 106 1.451 2.137 11.423 855 HB3 MET 106 1HB MET 106 3.181 2.377 11.583 856 HG2 MET 106 2HG MET 106 2.909 4.705 10.852 857 HG3 MET 106 1HG MET 106 1.172 4.448 10.721 858 HE1 MET 106 3HE MET 106 0.609 6.470 12.293 859 HE2 MET 106 1HE MET 106 2.332 6.835 12.387 860 HE3 MET 106 2HE MET 106 1.368 6.736 13.862 861 H LEU 107 H LEU 107 4.265 0.777 10.586 862 HA LEU 107 HA LEU 107 3.075 -1.656 9.521 863 HB2 LEU 107 2HB LEU 107 5.301 -2.620 9.191 864 HB3 LEU 107 1HB LEU 107 5.133 -1.166 8.252 865 HG LEU 107 HG LEU 107 6.649 -1.264 10.878 866 HD11 LEU 107 1HD1 LEU 107 7.673 -2.804 9.300 867 HD12 LEU 107 2HD1 LEU 107 8.681 -1.373 9.514 868 HD13 LEU 107 3HD1 LEU 107 7.692 -1.546 8.064 869 HD21 LEU 107 3HD2 LEU 107 6.007 1.008 10.196 870 HD22 LEU 107 1HD2 LEU 107 6.685 0.724 8.589 871 HD23 LEU 107 2HD2 LEU 107 7.735 0.770 10.000 872 H GLY 108 H GLY 108 2.780 -3.270 11.054 873 HA2 GLY 108 2HA GLY 108 3.971 -2.682 13.655 874 HA3 GLY 108 1HA GLY 108 2.242 -2.810 13.501 875 H ASN 109 H ASN 109 1.298 -4.681 13.470 876 HA ASN 109 HA ASN 109 2.332 -6.582 15.176 877 HB2 ASN 109 2HB ASN 109 -0.019 -6.635 13.359 878 HB3 ASN 109 1HB ASN 109 0.326 -7.980 14.451 879 HD21 ASN 109 1HD2 ASN 109 -0.674 -4.634 14.162 880 HD22 ASN 109 2HD2 ASN 109 -1.228 -4.491 15.789 881 H LYS 110 H LYS 110 1.785 -7.131 11.688 882 HA LYS 110 HA LYS 110 3.486 -9.497 12.011 883 HB2 LYS 110 2HB LYS 110 1.377 -8.956 9.921 884 HB3 LYS 110 1HB LYS 110 2.354 -10.411 10.037 885 HG2 LYS 110 2HG LYS 110 0.327 -9.442 12.044 886 HG3 LYS 110 1HG LYS 110 0.117 -10.779 10.917 887 HD2 LYS 110 2HD LYS 110 1.938 -11.990 12.014 888 HD3 LYS 110 1HD LYS 110 2.173 -10.636 13.119 889 HE2 LYS 110 2HE LYS 110 -0.125 -10.930 13.938 890 HE3 LYS 110 1HE LYS 110 -0.303 -12.324 12.871 891 HZ1 LYS 110 3HZ LYS 110 0.261 -12.982 15.125 892 HZ2 LYS 110 1HZ LYS 110 1.683 -12.061 15.046 893 HZ3 LYS 110 2HZ LYS 110 1.495 -13.409 14.040 894 H ALA 111 H ALA 111 4.216 -6.669 11.491 895 HA ALA 111 HA ALA 111 5.180 -6.594 8.756 896 HB1 ALA 111 1HB ALA 111 6.293 -4.512 9.451 897 HB2 ALA 111 2HB ALA 111 5.821 -4.825 11.123 898 HB3 ALA 111 3HB ALA 111 4.588 -4.511 9.901 899 H GLN 112 H GLN 112 6.234 -7.210 11.910 900 HA GLN 112 HA GLN 112 8.933 -7.731 11.511 901 HB2 GLN 112 2HB GLN 112 8.213 -7.471 13.715 902 HB3 GLN 112 1HB GLN 112 6.836 -8.533 13.491 903 HG2 GLN 112 2HG GLN 112 8.417 -9.521 14.930 904 HG3 GLN 112 1HG GLN 112 8.266 -10.402 13.403 905 HE21 GLN 112 1HE2 GLN 112 10.312 -11.388 13.583 906 HE22 GLN 112 2HE2 GLN 112 11.779 -10.488 13.400 907 H THR 113 H THR 113 6.050 -9.705 11.051 908 HA THR 113 HA THR 113 7.412 -12.137 10.636 909 HB THR 113 HB THR 113 4.658 -11.328 9.638 910 HG1 THR 113 1HG THR 113 5.689 -11.889 12.165 911 HG21 THR 113 3HG2 THR 113 4.156 -13.730 9.876 912 HG22 THR 113 1HG2 THR 113 5.808 -14.025 10.419 913 HG23 THR 113 2HG2 THR 113 5.506 -13.490 8.767 914 H VAL 114 H VAL 114 6.551 -9.393 8.660 915 HA VAL 114 HA VAL 114 6.997 -10.487 6.091 916 HB VAL 114 HB VAL 114 7.489 -7.648 6.955 917 HG11 VAL 114 1HG1 VAL 114 6.862 -7.136 4.580 918 HG12 VAL 114 2HG1 VAL 114 6.851 -8.869 4.266 919 HG13 VAL 114 3HG1 VAL 114 8.345 -8.071 4.753 920 HG21 VAL 114 3HG2 VAL 114 5.225 -7.103 6.388 921 HG22 VAL 114 1HG2 VAL 114 5.232 -8.354 7.614 922 HG23 VAL 114 2HG2 VAL 114 4.856 -8.760 5.937 923 H LEU 115 H LEU 115 9.028 -8.797 8.386 924 HA LEU 115 HA LEU 115 11.392 -8.704 6.831 925 HB2 LEU 115 2HB LEU 115 11.117 -8.695 9.832 926 HB3 LEU 115 1HB LEU 115 12.493 -8.118 8.911 927 HG LEU 115 HG LEU 115 9.742 -6.948 8.833 928 HD11 LEU 115 1HD1 LEU 115 12.255 -5.952 10.199 929 HD12 LEU 115 2HD1 LEU 115 10.810 -6.566 11.001 930 HD13 LEU 115 3HD1 LEU 115 10.740 -5.058 10.090 931 HD21 LEU 115 3HD2 LEU 115 10.917 -6.572 6.749 932 HD22 LEU 115 1HD2 LEU 115 12.332 -5.975 7.620 933 HD23 LEU 115 2HD2 LEU 115 10.824 -5.061 7.652 934 H ASN 116 H ASN 116 10.053 -11.020 9.067 935 HA ASN 116 HA ASN 116 12.329 -12.746 9.187 936 HB2 ASN 116 2HB ASN 116 10.307 -12.648 10.786 937 HB3 ASN 116 1HB ASN 116 9.427 -13.539 9.563 938 HD21 ASN 116 1HD2 ASN 116 11.870 -15.236 8.923 939 HD22 ASN 116 2HD2 ASN 116 11.989 -16.305 10.272 940 H GLY 117 H GLY 117 9.772 -12.158 6.993 941 HA2 GLY 117 2HA GLY 117 9.874 -12.783 4.703 942 HA3 GLY 117 1HA GLY 117 10.874 -14.154 5.156 943 H ASN 118 H ASN 118 8.799 -14.514 7.366 944 HA ASN 118 HA ASN 118 7.428 -16.668 6.018 945 HB2 ASN 118 2HB ASN 118 7.508 -15.769 8.885 946 HB3 ASN 118 1HB ASN 118 6.534 -17.137 8.350 947 HD21 ASN 118 1HD2 ASN 118 8.732 -17.102 10.241 948 HD22 ASN 118 2HD2 ASN 118 9.926 -18.165 9.573 949 H LEU 119 H LEU 119 6.551 -13.900 5.436 950 HA LEU 119 HA LEU 119 3.870 -13.999 6.546 951 HB2 LEU 119 2HB LEU 119 3.517 -11.698 6.031 952 HB3 LEU 119 1HB LEU 119 5.126 -11.792 6.685 953 HG LEU 119 HG LEU 119 5.429 -10.287 5.008 954 HD11 LEU 119 1HD1 LEU 119 5.858 -12.885 3.828 955 HD12 LEU 119 2HD1 LEU 119 7.081 -11.864 4.616 956 HD13 LEU 119 3HD1 LEU 119 6.420 -11.431 3.005 957 HD21 LEU 119 3HD2 LEU 119 3.172 -10.290 4.107 958 HD22 LEU 119 1HD2 LEU 119 3.503 -11.789 3.237 959 HD23 LEU 119 2HD2 LEU 119 4.353 -10.307 2.799 960 H LYS 120 H LYS 120 2.716 -15.130 5.542 961 HA LYS 120 HA LYS 120 2.303 -14.539 2.793 962 HB2 LYS 120 2HB LYS 120 1.698 -16.944 2.227 963 HB3 LYS 120 1HB LYS 120 3.371 -16.474 2.418 964 HG2 LYS 120 2HG LYS 120 3.563 -17.552 4.454 965 HG3 LYS 120 1HG LYS 120 1.828 -17.890 4.525 966 HD2 LYS 120 2HD LYS 120 3.108 -19.881 3.771 967 HD3 LYS 120 1HD LYS 120 1.971 -19.323 2.559 968 HE2 LYS 120 2HE LYS 120 4.953 -18.701 2.511 969 HE3 LYS 120 1HE LYS 120 4.230 -20.061 1.671 970 HZ1 LYS 120 3HZ LYS 120 2.817 -18.176 0.475 971 HZ2 LYS 120 1HZ LYS 120 4.419 -18.345 -0.003 972 HZ3 LYS 120 2HZ LYS 120 3.967 -17.156 1.035 973 H VAL 121 H VAL 121 0.578 -13.763 2.241 974 HA VAL 121 HA VAL 121 -1.835 -14.670 3.570 975 HB VAL 121 HB VAL 121 -2.751 -12.537 3.652 976 HG11 VAL 121 1HG1 VAL 121 -1.273 -11.183 5.032 977 HG12 VAL 121 2HG1 VAL 121 0.068 -12.252 4.597 978 HG13 VAL 121 3HG1 VAL 121 -1.321 -12.886 5.486 979 HG21 VAL 121 3HG2 VAL 121 -1.721 -10.487 2.733 980 HG22 VAL 121 1HG2 VAL 121 -2.119 -11.746 1.556 981 HG23 VAL 121 2HG2 VAL 121 -0.427 -11.510 2.038 982 H ASP 122 H ASP 122 -3.680 -13.837 2.209 983 HA ASP 122 HA ASP 122 -3.137 -14.681 -0.522 984 HB2 ASP 122 2HB ASP 122 -5.390 -15.369 -0.542 985 HB3 ASP 122 1HB ASP 122 -4.535 -16.038 0.862 986 H PHE 123 H PHE 123 -4.852 -13.830 -2.045 987 HA PHE 123 HA PHE 123 -5.991 -11.263 -1.557 988 HB2 PHE 123 2HB PHE 123 -3.676 -10.597 -2.079 989 HB3 PHE 123 1HB PHE 123 -3.712 -11.551 -3.550 990 HD1 PHE 123 1HD PHE 123 -5.759 -8.834 -1.977 991 HD2 PHE 123 2HD PHE 123 -3.877 -10.332 -5.491 992 HE1 PHE 123 1HE PHE 123 -6.509 -6.849 -3.226 993 HE2 PHE 123 2HE PHE 123 -4.625 -8.351 -6.743 994 HZ PHE 123 HZ PHE 123 -5.944 -6.607 -5.610 995 H MET 124 H MET 124 -7.090 -10.508 -3.600 996 HA MET 124 HA MET 124 -7.993 -12.601 -5.415 997 HB2 MET 124 2HB MET 124 -9.527 -12.567 -3.481 998 HB3 MET 124 1HB MET 124 -9.684 -10.832 -3.622 999 HG2 MET 124 2HG MET 124 -11.648 -11.872 -4.470 1000 HG3 MET 124 1HG MET 124 -10.770 -11.139 -5.805 1001 HE1 MET 124 3HE MET 124 -9.821 -14.559 -4.022 1002 HE2 MET 124 1HE MET 124 -10.780 -15.696 -4.968 1003 HE3 MET 124 2HE MET 124 -11.582 -14.518 -3.929 1004 H GLU 125 H GLU 125 -7.653 -11.640 -7.412 1005 HA GLU 125 HA GLU 125 -6.732 -9.179 -8.028 1006 HB2 GLU 125 2HB GLU 125 -8.726 -10.573 -9.834 1007 HB3 GLU 125 1HB GLU 125 -7.553 -9.374 -10.314 1008 HG2 GLU 125 2HG GLU 125 -6.783 -11.466 -11.069 1009 HG3 GLU 125 1HG GLU 125 -5.776 -11.040 -9.683 1010 H THR 126 H THR 126 -10.095 -9.894 -8.724 1011 HA THR 126 HA THR 126 -10.643 -7.041 -8.403 1012 HB THR 126 HB THR 126 -10.717 -7.802 -10.771 1013 HG1 THR 126 1HG THR 126 -12.863 -6.943 -11.204 1014 HG21 THR 126 3HG2 THR 126 -13.048 -9.516 -9.873 1015 HG22 THR 126 1HG2 THR 126 -11.483 -10.111 -10.425 1016 HG23 THR 126 2HG2 THR 126 -12.547 -9.263 -11.545 1017 H GLU 127 H GLU 127 -13.247 -6.935 -8.448 1018 HA GLU 127 HA GLU 127 -13.981 -7.809 -5.797 1019 HB2 GLU 127 2HB GLU 127 -15.550 -6.152 -7.773 1020 HB3 GLU 127 1HB GLU 127 -15.689 -6.158 -6.024 1021 HG2 GLU 127 2HG GLU 127 -13.199 -5.223 -7.447 1022 HG3 GLU 127 1HG GLU 127 -14.542 -4.151 -7.093 Start of MODEL 3 1 H1 CYS 1 1HT CYS 1 -0.069 -19.828 -4.116 2 H2 CYS 1 2HT CYS 1 0.967 -21.125 -4.455 3 H3 CYS 1 3HT CYS 1 -0.609 -21.048 -5.145 4 HA CYS 1 HA CYS 1 -0.017 -19.200 -6.420 5 HB2 CYS 1 2HB CYS 1 2.425 -18.496 -6.378 6 HB3 CYS 1 1HB CYS 1 1.483 -18.073 -4.949 7 HG CYS 1 HG CYS 1 4.060 -18.852 -4.156 8 H LYS 2 H LYS 2 0.572 -19.620 -8.530 9 HA LYS 2 HA LYS 2 2.487 -21.523 -9.433 10 HB2 LYS 2 2HB LYS 2 -0.441 -21.889 -10.239 11 HB3 LYS 2 1HB LYS 2 0.917 -22.802 -10.832 12 HG2 LYS 2 2HG LYS 2 -0.208 -22.954 -8.057 13 HG3 LYS 2 1HG LYS 2 -0.602 -24.051 -9.373 14 HD2 LYS 2 2HD LYS 2 1.695 -24.820 -9.443 15 HD3 LYS 2 1HD LYS 2 2.145 -23.643 -8.199 16 HE2 LYS 2 2HE LYS 2 0.194 -25.923 -7.888 17 HE3 LYS 2 1HE LYS 2 1.809 -25.820 -7.182 18 HZ1 LYS 2 3HZ LYS 2 0.177 -25.196 -5.530 19 HZ2 LYS 2 1HZ LYS 2 -0.497 -24.024 -6.556 20 HZ3 LYS 2 2HZ LYS 2 1.057 -23.815 -6.004 21 H THR 3 H THR 3 1.861 -21.388 -12.082 22 HA THR 3 HA THR 3 1.545 -18.666 -12.763 23 HB THR 3 HB THR 3 1.042 -21.071 -14.542 24 HG1 THR 3 1HG THR 3 3.601 -19.939 -14.112 25 HG21 THR 3 3HG2 THR 3 0.663 -18.832 -15.523 26 HG22 THR 3 1HG2 THR 3 2.051 -19.626 -16.265 27 HG23 THR 3 2HG2 THR 3 2.299 -18.361 -15.064 28 H LYS 4 H LYS 4 -0.522 -21.441 -12.330 29 HA LYS 4 HA LYS 4 -2.924 -19.804 -12.336 30 HB2 LYS 4 2HB LYS 4 -2.674 -22.483 -13.719 31 HB3 LYS 4 1HB LYS 4 -4.179 -21.611 -13.468 32 HG2 LYS 4 2HG LYS 4 -3.354 -19.805 -14.942 33 HG3 LYS 4 1HG LYS 4 -1.877 -20.727 -15.214 34 HD2 LYS 4 2HD LYS 4 -4.671 -21.642 -15.930 35 HD3 LYS 4 1HD LYS 4 -3.495 -20.982 -17.063 36 HE2 LYS 4 2HE LYS 4 -1.984 -22.865 -16.567 37 HE3 LYS 4 1HE LYS 4 -3.180 -23.519 -15.449 38 HZ1 LYS 4 3HZ LYS 4 -3.571 -23.137 -18.368 39 HZ2 LYS 4 1HZ LYS 4 -4.722 -23.754 -17.291 40 HZ3 LYS 4 2HZ LYS 4 -3.300 -24.615 -17.589 41 H ASP 5 H ASP 5 -3.369 -20.023 -10.218 42 HA ASP 5 HA ASP 5 -3.086 -22.690 -8.977 43 HB2 ASP 5 2HB ASP 5 -1.446 -20.845 -8.324 44 HB3 ASP 5 1HB ASP 5 -2.806 -19.995 -7.619 45 H TYR 6 H TYR 6 -5.138 -23.414 -8.952 46 HA TYR 6 HA TYR 6 -7.306 -21.580 -8.824 47 HB2 TYR 6 2HB TYR 6 -8.805 -23.612 -9.043 48 HB3 TYR 6 1HB TYR 6 -7.685 -23.329 -10.362 49 HD1 TYR 6 1HD TYR 6 -5.640 -24.807 -10.553 50 HD2 TYR 6 2HD TYR 6 -8.789 -25.646 -7.815 51 HE1 TYR 6 1HE TYR 6 -4.871 -27.135 -10.388 52 HE2 TYR 6 2HE TYR 6 -8.021 -27.974 -7.638 53 HH TYR 6 HH TYR 6 -5.018 -29.020 -8.813 54 H LYS 7 H LYS 7 -6.951 -20.649 -6.954 55 HA LYS 7 HA LYS 7 -8.669 -21.319 -4.872 56 HB2 LYS 7 2HB LYS 7 -6.743 -21.333 -3.094 57 HB3 LYS 7 1HB LYS 7 -7.097 -22.833 -3.940 58 HG2 LYS 7 2HG LYS 7 -5.297 -22.465 -5.439 59 HG3 LYS 7 1HG LYS 7 -4.968 -20.893 -4.717 60 HD2 LYS 7 2HD LYS 7 -4.881 -23.403 -3.057 61 HD3 LYS 7 1HD LYS 7 -3.484 -22.914 -4.014 62 HE2 LYS 7 2HE LYS 7 -4.836 -21.272 -1.870 63 HE3 LYS 7 1HE LYS 7 -3.286 -22.102 -1.724 64 HZ1 LYS 7 3HZ LYS 7 -2.638 -19.904 -2.309 65 HZ2 LYS 7 1HZ LYS 7 -3.942 -19.729 -3.375 66 HZ3 LYS 7 2HZ LYS 7 -2.703 -20.702 -3.800 67 H THR 8 H THR 8 -7.371 -19.607 -2.912 68 HA THR 8 HA THR 8 -7.662 -17.111 -4.228 69 HB THR 8 HB THR 8 -6.444 -17.576 -1.490 70 HG1 THR 8 1HG THR 8 -8.877 -17.329 -0.973 71 HG21 THR 8 3HG2 THR 8 -7.569 -15.450 -0.979 72 HG22 THR 8 1HG2 THR 8 -8.277 -15.429 -2.598 73 HG23 THR 8 2HG2 THR 8 -6.538 -15.263 -2.408 74 H ARG 9 H ARG 9 -5.807 -15.488 -4.216 75 HA ARG 9 HA ARG 9 -3.458 -16.888 -5.192 76 HB2 ARG 9 2HB ARG 9 -4.523 -14.111 -5.472 77 HB3 ARG 9 1HB ARG 9 -2.904 -14.522 -6.048 78 HG2 ARG 9 2HG ARG 9 -4.461 -14.414 -7.897 79 HG3 ARG 9 1HG ARG 9 -4.007 -16.097 -7.653 80 HD2 ARG 9 2HD ARG 9 -6.088 -16.607 -6.665 81 HD3 ARG 9 1HD ARG 9 -6.504 -14.917 -6.460 82 HE ARG 9 HE ARG 9 -6.387 -14.848 -8.983 83 HH11 ARG 9 1HH1 ARG 9 -7.609 -17.744 -7.288 84 HH12 ARG 9 2HH1 ARG 9 -8.779 -18.077 -8.468 85 HH21 ARG 9 1HH2 ARG 9 -7.932 -15.297 -10.517 86 HH22 ARG 9 2HH2 ARG 9 -8.987 -16.637 -10.432 87 H ASP 10 H ASP 10 -1.605 -16.748 -4.147 88 HA ASP 10 HA ASP 10 -1.687 -15.552 -1.503 89 HB2 ASP 10 2HB ASP 10 0.591 -17.176 -2.638 90 HB3 ASP 10 1HB ASP 10 0.141 -16.964 -0.955 91 H VAL 11 H VAL 11 -1.354 -13.386 -1.865 92 HA VAL 11 HA VAL 11 0.981 -12.590 -3.445 93 HB VAL 11 HB VAL 11 0.269 -10.259 -3.089 94 HG11 VAL 11 1HG1 VAL 11 -1.888 -11.971 -4.255 95 HG12 VAL 11 2HG1 VAL 11 -0.424 -11.333 -5.053 96 HG13 VAL 11 3HG1 VAL 11 -1.654 -10.220 -4.443 97 HG21 VAL 11 3HG2 VAL 11 -1.885 -9.711 -2.180 98 HG22 VAL 11 1HG2 VAL 11 -0.802 -10.499 -1.033 99 HG23 VAL 11 2HG2 VAL 11 -2.154 -11.418 -1.751 100 H THR 12 H THR 12 2.672 -12.901 -2.490 101 HA THR 12 HA THR 12 2.937 -11.454 0.005 102 HB THR 12 HB THR 12 3.683 -13.016 1.127 103 HG1 THR 12 1HG THR 12 5.780 -13.776 -0.729 104 HG21 THR 12 3HG2 THR 12 3.705 -15.389 0.388 105 HG22 THR 12 1HG2 THR 12 3.517 -14.797 -1.283 106 HG23 THR 12 2HG2 THR 12 2.272 -14.453 -0.070 107 H ASP 13 H ASP 13 4.550 -12.351 -2.913 108 HA ASP 13 HA ASP 13 6.623 -10.677 -2.006 109 HB2 ASP 13 2HB ASP 13 6.582 -12.630 -4.213 110 HB3 ASP 13 1HB ASP 13 7.943 -11.509 -3.975 111 H ASP 14 H ASP 14 3.970 -10.156 -3.698 112 HA ASP 14 HA ASP 14 5.160 -7.932 -5.152 113 HB2 ASP 14 2HB ASP 14 2.790 -7.346 -5.704 114 HB3 ASP 14 1HB ASP 14 3.161 -8.996 -6.171 115 H VAL 15 H VAL 15 3.223 -8.715 -2.404 116 HA VAL 15 HA VAL 15 3.012 -6.194 -1.219 117 HB VAL 15 HB VAL 15 3.102 -8.950 0.062 118 HG11 VAL 15 1HG1 VAL 15 1.956 -6.369 1.125 119 HG12 VAL 15 2HG1 VAL 15 3.406 -7.181 1.711 120 HG13 VAL 15 3HG1 VAL 15 1.829 -7.950 1.899 121 HG21 VAL 15 3HG2 VAL 15 0.623 -8.861 -0.062 122 HG22 VAL 15 1HG2 VAL 15 1.330 -8.838 -1.667 123 HG23 VAL 15 2HG2 VAL 15 0.724 -7.357 -0.960 124 H LYS 16 H LYS 16 5.439 -8.697 -1.058 125 HA LYS 16 HA LYS 16 7.196 -7.772 0.917 126 HB2 LYS 16 2HB LYS 16 7.119 -9.948 -0.370 127 HB3 LYS 16 1HB LYS 16 8.045 -9.126 -1.628 128 HG2 LYS 16 2HG LYS 16 9.567 -10.393 -0.360 129 HG3 LYS 16 1HG LYS 16 9.777 -8.729 0.185 130 HD2 LYS 16 2HD LYS 16 9.705 -10.426 2.031 131 HD3 LYS 16 1HD LYS 16 8.510 -9.139 2.176 132 HE2 LYS 16 2HE LYS 16 7.592 -11.351 2.717 133 HE3 LYS 16 1HE LYS 16 6.749 -10.604 1.387 134 HZ1 LYS 16 3HZ LYS 16 8.222 -12.107 -0.141 135 HZ2 LYS 16 1HZ LYS 16 7.095 -12.899 0.810 136 HZ3 LYS 16 2HZ LYS 16 8.716 -12.876 1.242 137 H SER 17 H SER 17 7.074 -7.157 -2.587 138 HA SER 17 HA SER 17 9.358 -5.562 -2.762 139 HB2 SER 17 2HB SER 17 8.132 -6.584 -4.710 140 HB3 SER 17 1HB SER 17 6.845 -5.408 -4.467 141 HG SER 17 HG SER 17 9.522 -4.611 -4.851 142 H ILE 18 H ILE 18 5.945 -4.759 -2.253 143 HA ILE 18 HA ILE 18 6.067 -2.007 -2.016 144 HB ILE 18 HB ILE 18 4.369 -4.031 -0.554 145 HG12 ILE 18 2HG1 ILE 18 3.689 -2.194 -2.869 146 HG13 ILE 18 1HG1 ILE 18 4.107 -3.894 -3.025 147 HG21 ILE 18 1HG2 ILE 18 4.454 -2.119 0.810 148 HG22 ILE 18 2HG2 ILE 18 2.850 -2.178 0.056 149 HG23 ILE 18 3HG2 ILE 18 4.084 -1.039 -0.534 150 HD11 ILE 18 3HD1 ILE 18 1.714 -3.575 -3.188 151 HD12 ILE 18 1HD1 ILE 18 1.677 -2.785 -1.610 152 HD13 ILE 18 2HD1 ILE 18 2.096 -4.491 -1.741 153 H VAL 19 H VAL 19 6.326 -4.425 0.533 154 HA VAL 19 HA VAL 19 6.853 -2.758 2.684 155 HB VAL 19 HB VAL 19 7.639 -5.620 2.200 156 HG11 VAL 19 1HG1 VAL 19 9.103 -4.631 3.951 157 HG12 VAL 19 2HG1 VAL 19 7.953 -5.774 4.665 158 HG13 VAL 19 3HG1 VAL 19 7.665 -4.032 4.782 159 HG21 VAL 19 3HG2 VAL 19 5.298 -5.122 2.226 160 HG22 VAL 19 1HG2 VAL 19 5.499 -4.320 3.788 161 HG23 VAL 19 2HG2 VAL 19 5.765 -6.087 3.639 162 H ARG 20 H ARG 20 9.140 -4.399 0.556 163 HA ARG 20 HA ARG 20 11.526 -3.621 1.711 164 HB2 ARG 20 2HB ARG 20 11.665 -5.158 -0.081 165 HB3 ARG 20 1HB ARG 20 10.740 -4.122 -1.156 166 HG2 ARG 20 2HG ARG 20 13.047 -4.163 -1.849 167 HG3 ARG 20 1HG ARG 20 12.634 -2.561 -1.254 168 HD2 ARG 20 2HD ARG 20 13.606 -3.417 0.994 169 HD3 ARG 20 1HD ARG 20 14.374 -4.656 -0.006 170 HE ARG 20 HE ARG 20 14.620 -1.891 -0.822 171 HH11 ARG 20 1HH1 ARG 20 16.246 -4.686 0.574 172 HH12 ARG 20 2HH1 ARG 20 17.807 -3.978 0.553 173 HH21 ARG 20 1HH2 ARG 20 16.630 -0.898 -0.812 174 HH22 ARG 20 2HH2 ARG 20 18.052 -1.675 -0.304 175 H PHE 21 H PHE 21 9.640 -1.845 -0.685 176 HA PHE 21 HA PHE 21 11.534 0.256 -0.770 177 HB2 PHE 21 2HB PHE 21 8.843 -0.059 -1.961 178 HB3 PHE 21 1HB PHE 21 9.757 1.445 -2.116 179 HD1 PHE 21 2HD PHE 21 12.055 1.331 -3.016 180 HD2 PHE 21 1HD PHE 21 9.333 -1.844 -3.327 181 HE1 PHE 21 2HE PHE 21 13.446 0.359 -4.834 182 HE2 PHE 21 1HE PHE 21 10.675 -2.868 -5.148 183 HZ PHE 21 HZ PHE 21 12.744 -1.755 -5.897 184 H VAL 22 H VAL 22 8.497 -0.128 0.944 185 HA VAL 22 HA VAL 22 8.608 2.577 1.684 186 HB VAL 22 HB VAL 22 6.828 2.057 3.366 187 HG11 VAL 22 1HG1 VAL 22 5.083 1.483 1.724 188 HG12 VAL 22 2HG1 VAL 22 6.336 0.998 0.582 189 HG13 VAL 22 3HG1 VAL 22 6.213 2.682 1.093 190 HG21 VAL 22 3HG2 VAL 22 7.097 -0.708 2.257 191 HG22 VAL 22 1HG2 VAL 22 5.829 -0.194 3.383 192 HG23 VAL 22 2HG2 VAL 22 7.541 -0.204 3.883 193 H GLN 23 H GLN 23 9.685 -0.456 3.144 194 HA GLN 23 HA GLN 23 10.524 0.561 5.591 195 HB2 GLN 23 2HB GLN 23 11.381 -1.761 3.929 196 HB3 GLN 23 1HB GLN 23 12.245 -1.391 5.401 197 HG2 GLN 23 2HG GLN 23 9.300 -1.982 5.159 198 HG3 GLN 23 1HG GLN 23 10.532 -3.094 5.754 199 HE21 GLN 23 1HE2 GLN 23 11.420 -2.751 7.797 200 HE22 GLN 23 2HE2 GLN 23 10.670 -1.670 8.927 201 H GLU 24 H GLU 24 12.397 0.237 2.556 202 HA GLU 24 HA GLU 24 14.698 1.381 3.769 203 HB2 GLU 24 2HB GLU 24 15.719 1.333 1.592 204 HB3 GLU 24 1HB GLU 24 14.822 -0.155 1.825 205 HG2 GLU 24 2HG GLU 24 12.978 0.842 0.482 206 HG3 GLU 24 1HG GLU 24 14.044 2.202 0.126 207 H HIS 25 H HIS 25 11.903 2.694 2.225 208 HA HIS 25 HA HIS 25 13.062 5.215 1.577 209 HB2 HIS 25 2HB HIS 25 10.886 4.400 0.586 210 HB3 HIS 25 1HB HIS 25 10.126 4.691 2.144 211 HD1 HIS 25 1HD HIS 25 10.971 6.323 -0.995 212 HD2 HIS 25 2HD HIS 25 10.136 7.554 2.881 213 HE1 HIS 25 1HE HIS 25 10.549 8.798 -1.139 214 HE2 HIS 25 2HE HIS 25 10.596 9.472 1.257 215 H SER 26 H SER 26 11.674 3.835 4.440 216 HA SER 26 HA SER 26 11.375 6.359 5.766 217 HB2 SER 26 2HB SER 26 11.088 3.539 6.806 218 HB3 SER 26 1HB SER 26 10.526 5.010 7.606 219 HG SER 26 HG SER 26 9.485 3.668 5.395 220 H SER 27 H SER 27 14.067 4.767 4.998 221 HA SER 27 HA SER 27 15.398 5.082 7.567 222 HB2 SER 27 2HB SER 27 15.818 3.027 6.220 223 HB3 SER 27 1HB SER 27 16.443 4.029 4.915 224 HG SER 27 HG SER 27 17.898 4.831 6.701 225 H SER 28 H SER 28 14.403 7.144 5.367 226 HA SER 28 HA SER 28 16.272 9.166 5.875 227 HB2 SER 28 2HB SER 28 17.577 7.826 4.169 228 HB3 SER 28 1HB SER 28 16.244 8.035 3.038 229 HG SER 28 HG SER 28 18.262 9.712 3.701 230 H GLN 29 H GLN 29 15.625 10.808 3.782 231 HA GLN 29 HA GLN 29 12.761 11.100 4.096 232 HB2 GLN 29 2HB GLN 29 14.100 13.145 4.280 233 HB3 GLN 29 1HB GLN 29 14.808 12.868 2.699 234 HG2 GLN 29 2HG GLN 29 11.868 13.107 2.741 235 HG3 GLN 29 1HG GLN 29 12.757 14.564 3.176 236 HE21 GLN 29 1HE2 GLN 29 11.986 15.563 1.268 237 HE22 GLN 29 2HE2 GLN 29 12.644 15.146 -0.281 238 H GLY 30 H GLY 30 15.074 10.205 1.696 239 HA2 GLY 30 2HA GLY 30 14.807 8.915 -0.215 240 HA3 GLY 30 1HA GLY 30 13.094 8.797 0.170 241 H MET 31 H MET 31 15.546 10.885 -1.175 242 HA MET 31 HA MET 31 14.003 13.012 -2.137 243 HB2 MET 31 2HB MET 31 16.735 12.043 -2.939 244 HB3 MET 31 1HB MET 31 16.027 13.537 -3.532 245 HG2 MET 31 2HG MET 31 15.896 14.400 -1.266 246 HG3 MET 31 1HG MET 31 16.542 12.887 -0.637 247 HE1 MET 31 3HE MET 31 19.473 15.448 -0.081 248 HE2 MET 31 1HE MET 31 18.396 14.284 0.690 249 HE3 MET 31 2HE MET 31 17.747 15.785 0.029 250 H ARG 32 H ARG 32 13.130 10.363 -3.106 251 HA ARG 32 HA ARG 32 13.451 10.353 -5.989 252 HB2 ARG 32 2HB ARG 32 11.878 8.633 -4.088 253 HB3 ARG 32 1HB ARG 32 11.785 8.446 -5.831 254 HG2 ARG 32 2HG ARG 32 14.289 8.178 -4.176 255 HG3 ARG 32 1HG ARG 32 13.320 6.840 -4.801 256 HD2 ARG 32 2HD ARG 32 14.815 8.907 -6.430 257 HD3 ARG 32 1HD ARG 32 15.210 7.201 -6.259 258 HE ARG 32 HE ARG 32 12.708 7.095 -7.208 259 HH11 ARG 32 1HH1 ARG 32 15.502 8.934 -8.350 260 HH12 ARG 32 2HH1 ARG 32 15.069 8.882 -9.993 261 HH21 ARG 32 1HH2 ARG 32 12.098 6.990 -9.414 262 HH22 ARG 32 2HH2 ARG 32 13.042 7.715 -10.635 263 H ASN 33 H ASN 33 11.999 12.562 -4.503 264 HA ASN 33 HA ASN 33 9.237 12.410 -5.056 265 HB2 ASN 33 2HB ASN 33 10.990 14.821 -4.599 266 HB3 ASN 33 1HB ASN 33 9.234 14.865 -4.687 267 HD21 ASN 33 1HD2 ASN 33 8.051 13.874 -3.042 268 HD22 ASN 33 2HD2 ASN 33 8.774 13.572 -1.480 269 H ILE 34 H ILE 34 8.054 12.957 -6.738 270 HA ILE 34 HA ILE 34 9.419 13.864 -9.206 271 HB ILE 34 HB ILE 34 7.977 11.768 -9.292 272 HG12 ILE 34 2HG1 ILE 34 7.204 14.087 -11.091 273 HG13 ILE 34 1HG1 ILE 34 8.453 12.866 -11.338 274 HG21 ILE 34 1HG2 ILE 34 6.249 12.427 -7.751 275 HG22 ILE 34 2HG2 ILE 34 5.558 11.979 -9.309 276 HG23 ILE 34 3HG2 ILE 34 5.708 13.679 -8.869 277 HD11 ILE 34 3HD1 ILE 34 6.753 11.139 -11.609 278 HD12 ILE 34 1HD1 ILE 34 6.505 12.457 -12.757 279 HD13 ILE 34 2HD1 ILE 34 5.490 12.328 -11.322 280 H LYS 35 H LYS 35 7.778 14.940 -6.653 281 HA LYS 35 HA LYS 35 6.718 17.307 -8.020 282 HB2 LYS 35 2HB LYS 35 5.825 16.099 -5.385 283 HB3 LYS 35 1HB LYS 35 5.186 17.566 -6.097 284 HG2 LYS 35 2HG LYS 35 4.884 14.782 -7.237 285 HG3 LYS 35 1HG LYS 35 3.651 15.660 -6.337 286 HD2 LYS 35 2HD LYS 35 3.717 17.421 -8.113 287 HD3 LYS 35 1HD LYS 35 4.822 16.391 -9.021 288 HE2 LYS 35 2HE LYS 35 1.996 15.668 -8.208 289 HE3 LYS 35 1HE LYS 35 2.506 16.160 -9.817 290 HZ1 LYS 35 3HZ LYS 35 3.270 13.644 -8.393 291 HZ2 LYS 35 1HZ LYS 35 3.959 14.165 -9.850 292 HZ3 LYS 35 2HZ LYS 35 2.331 13.793 -9.764 293 H HIS 36 H HIS 36 7.607 19.156 -7.287 294 HA HIS 36 HA HIS 36 10.020 19.128 -5.873 295 HB2 HIS 36 2HB HIS 36 9.939 21.563 -5.776 296 HB3 HIS 36 1HB HIS 36 9.356 21.034 -7.342 297 HD1 HIS 36 1HD HIS 36 7.072 21.930 -8.048 298 HD2 HIS 36 2HD HIS 36 7.838 22.548 -3.999 299 HE1 HIS 36 1HE HIS 36 5.224 23.413 -7.224 300 HE2 HIS 36 2HE HIS 36 5.764 23.846 -4.796 301 H VAL 37 H VAL 37 10.609 19.890 -3.803 302 HA VAL 37 HA VAL 37 9.283 18.816 -1.662 303 HB VAL 37 HB VAL 37 11.098 21.250 -1.586 304 HG11 VAL 37 1HG1 VAL 37 11.637 20.538 0.701 305 HG12 VAL 37 2HG1 VAL 37 10.460 19.231 0.568 306 HG13 VAL 37 3HG1 VAL 37 9.921 20.908 0.524 307 HG21 VAL 37 3HG2 VAL 37 12.926 19.650 -1.191 308 HG22 VAL 37 1HG2 VAL 37 12.170 19.401 -2.765 309 HG23 VAL 37 2HG2 VAL 37 11.800 18.315 -1.427 310 H GLY 38 H GLY 38 7.529 19.325 -0.594 311 HA2 GLY 38 2HA GLY 38 6.643 21.991 -0.205 312 HA3 GLY 38 1HA GLY 38 5.662 21.099 -1.370 313 HA PRO 39 HA PRO 39 4.084 21.161 3.198 314 HB2 PRO 39 2HB PRO 39 1.885 20.244 1.410 315 HB3 PRO 39 1HB PRO 39 1.815 21.290 2.844 316 HG2 PRO 39 2HG PRO 39 1.922 22.224 0.264 317 HG3 PRO 39 1HG PRO 39 2.380 23.147 1.705 318 HD2 PRO 39 2HD PRO 39 4.097 22.327 -0.408 319 HD3 PRO 39 1HD PRO 39 4.561 23.108 1.115 320 H SER 40 H SER 40 5.272 19.514 4.012 321 HA SER 40 HA SER 40 5.473 17.624 5.240 322 HB2 SER 40 2HB SER 40 2.588 17.155 4.530 323 HB3 SER 40 1HB SER 40 3.463 16.494 5.907 324 HG SER 40 HG SER 40 3.826 18.906 6.341 325 H GLY 41 H GLY 41 4.936 15.152 5.281 326 HA2 GLY 41 2HA GLY 41 5.062 13.988 2.608 327 HA3 GLY 41 1HA GLY 41 5.960 13.355 3.999 328 H ARG 42 H ARG 42 3.365 12.611 2.275 329 HA ARG 42 HA ARG 42 1.836 11.812 4.644 330 HB2 ARG 42 2HB ARG 42 0.684 12.610 1.949 331 HB3 ARG 42 1HB ARG 42 -0.232 12.097 3.353 332 HG2 ARG 42 2HG ARG 42 1.444 14.603 3.220 333 HG3 ARG 42 1HG ARG 42 -0.294 14.544 2.955 334 HD2 ARG 42 2HD ARG 42 -0.677 13.866 5.231 335 HD3 ARG 42 1HD ARG 42 1.052 13.645 5.508 336 HE ARG 42 HE ARG 42 0.934 16.196 4.782 337 HH11 ARG 42 1HH1 ARG 42 -1.138 14.524 7.149 338 HH12 ARG 42 2HH1 ARG 42 -1.174 15.821 8.236 339 HH21 ARG 42 1HH2 ARG 42 0.921 17.983 6.346 340 HH22 ARG 42 2HH2 ARG 42 0.012 17.839 7.767 341 H PHE 43 H PHE 43 2.131 9.694 4.801 342 HA PHE 43 HA PHE 43 2.271 8.158 2.324 343 HB2 PHE 43 2HB PHE 43 3.273 7.447 5.097 344 HB3 PHE 43 1HB PHE 43 3.374 6.403 3.686 345 HD1 PHE 43 1HD PHE 43 4.878 7.004 1.815 346 HD2 PHE 43 2HD PHE 43 4.830 9.205 5.460 347 HE1 PHE 43 1HE PHE 43 7.058 7.990 1.247 348 HE2 PHE 43 2HE PHE 43 7.008 10.197 4.894 349 HZ PHE 43 HZ PHE 43 8.125 9.589 2.785 350 H THR 44 H THR 44 0.159 7.901 1.979 351 HA THR 44 HA THR 44 -1.353 6.480 4.027 352 HB THR 44 HB THR 44 -3.369 7.393 2.853 353 HG1 THR 44 1HG THR 44 -2.788 9.234 1.368 354 HG21 THR 44 3HG2 THR 44 -1.385 9.537 3.663 355 HG22 THR 44 1HG2 THR 44 -2.400 8.628 4.779 356 HG23 THR 44 2HG2 THR 44 -3.139 9.721 3.607 357 H MET 45 H MET 45 -2.903 4.887 3.013 358 HA MET 45 HA MET 45 -1.525 3.077 1.377 359 HB2 MET 45 2HB MET 45 -3.541 1.755 1.281 360 HB3 MET 45 1HB MET 45 -3.472 2.475 2.876 361 HG2 MET 45 2HG MET 45 -5.201 3.441 0.586 362 HG3 MET 45 1HG MET 45 -5.756 2.470 1.946 363 HE1 MET 45 3HE MET 45 -7.705 4.265 2.280 364 HE2 MET 45 1HE MET 45 -7.075 5.211 0.931 365 HE3 MET 45 2HE MET 45 -7.418 5.994 2.474 366 H ASN 46 H ASN 46 -3.813 5.527 0.668 367 HA ASN 46 HA ASN 46 -4.492 4.948 -1.965 368 HB2 ASN 46 2HB ASN 46 -5.645 6.476 -0.358 369 HB3 ASN 46 1HB ASN 46 -4.358 7.641 -0.616 370 HD21 ASN 46 1HD2 ASN 46 -7.046 5.975 -2.055 371 HD22 ASN 46 2HD2 ASN 46 -7.313 7.121 -3.314 372 H MET 47 H MET 47 -1.955 7.054 -0.649 373 HA MET 47 HA MET 47 -0.982 7.984 -3.151 374 HB2 MET 47 2HB MET 47 -0.534 9.265 -1.153 375 HB3 MET 47 1HB MET 47 0.253 7.900 -0.393 376 HG2 MET 47 2HG MET 47 1.865 9.598 -1.095 377 HG3 MET 47 1HG MET 47 2.125 8.073 -1.925 378 HE1 MET 47 3HE MET 47 -0.719 10.680 -2.827 379 HE2 MET 47 1HE MET 47 0.127 11.729 -3.962 380 HE3 MET 47 2HE MET 47 0.595 11.712 -2.260 381 H LEU 48 H LEU 48 -0.208 5.250 -1.107 382 HA LEU 48 HA LEU 48 2.170 4.527 -2.486 383 HB2 LEU 48 2HB LEU 48 0.389 2.802 -0.785 384 HB3 LEU 48 1HB LEU 48 2.020 2.410 -1.285 385 HG LEU 48 HG LEU 48 1.181 4.594 0.604 386 HD11 LEU 48 1HD1 LEU 48 1.122 2.385 1.564 387 HD12 LEU 48 2HD1 LEU 48 2.460 3.318 2.237 388 HD13 LEU 48 3HD1 LEU 48 2.771 2.078 1.020 389 HD21 LEU 48 3HD2 LEU 48 3.589 5.022 0.915 390 HD22 LEU 48 1HD2 LEU 48 3.048 5.389 -0.722 391 HD23 LEU 48 2HD2 LEU 48 3.947 3.904 -0.402 392 H VAL 49 H VAL 49 -1.259 3.818 -3.010 393 HA VAL 49 HA VAL 49 -0.982 1.651 -4.676 394 HB VAL 49 HB VAL 49 -3.044 3.766 -4.172 395 HG11 VAL 49 1HG1 VAL 49 -3.278 3.097 -6.382 396 HG12 VAL 49 2HG1 VAL 49 -4.577 2.344 -5.409 397 HG13 VAL 49 3HG1 VAL 49 -3.159 1.388 -5.957 398 HG21 VAL 49 3HG2 VAL 49 -2.629 2.303 -2.428 399 HG22 VAL 49 1HG2 VAL 49 -2.754 0.888 -3.480 400 HG23 VAL 49 2HG2 VAL 49 -4.186 1.877 -3.176 401 H ASP 50 H ASP 50 -1.393 5.075 -5.197 402 HA ASP 50 HA ASP 50 -1.252 4.985 -7.997 403 HB2 ASP 50 2HB ASP 50 -0.667 7.209 -6.082 404 HB3 ASP 50 1HB ASP 50 -0.384 7.436 -7.798 405 H ILE 51 H ILE 51 1.276 5.316 -5.645 406 HA ILE 51 HA ILE 51 3.393 5.531 -7.480 407 HB ILE 51 HB ILE 51 3.385 4.471 -4.626 408 HG12 ILE 51 2HG1 ILE 51 4.169 7.088 -5.849 409 HG13 ILE 51 1HG1 ILE 51 2.722 6.830 -4.887 410 HG21 ILE 51 1HG2 ILE 51 5.364 3.693 -6.067 411 HG22 ILE 51 2HG2 ILE 51 5.725 4.592 -4.591 412 HG23 ILE 51 3HG2 ILE 51 5.797 5.423 -6.135 413 HD11 ILE 51 3HD1 ILE 51 4.415 7.982 -3.663 414 HD12 ILE 51 1HD1 ILE 51 5.572 6.703 -4.020 415 HD13 ILE 51 2HD1 ILE 51 4.189 6.367 -2.951 416 H PHE 52 H PHE 52 1.933 2.719 -5.936 417 HA PHE 52 HA PHE 52 3.660 0.769 -6.977 418 HB2 PHE 52 2HB PHE 52 2.134 0.474 -5.027 419 HB3 PHE 52 1HB PHE 52 0.773 0.487 -6.132 420 HD1 PHE 52 1HD PHE 52 4.020 -1.321 -5.771 421 HD2 PHE 52 2HD PHE 52 -0.149 -1.558 -6.573 422 HE1 PHE 52 1HE PHE 52 4.201 -3.764 -5.933 423 HE2 PHE 52 2HE PHE 52 0.020 -4.004 -6.744 424 HZ PHE 52 HZ PHE 52 2.195 -5.114 -6.423 425 H LEU 53 H LEU 53 0.645 2.100 -8.222 426 HA LEU 53 HA LEU 53 0.535 0.329 -10.454 427 HB2 LEU 53 2HB LEU 53 -1.050 2.588 -9.443 428 HB3 LEU 53 1HB LEU 53 -1.081 2.375 -11.177 429 HG LEU 53 HG LEU 53 -2.001 0.150 -10.941 430 HD11 LEU 53 1HD1 LEU 53 -0.964 -0.658 -8.978 431 HD12 LEU 53 2HD1 LEU 53 -2.719 -0.715 -8.817 432 HD13 LEU 53 3HD1 LEU 53 -1.804 0.541 -7.965 433 HD21 LEU 53 3HD2 LEU 53 -3.607 1.899 -11.004 434 HD22 LEU 53 1HD2 LEU 53 -3.431 2.161 -9.252 435 HD23 LEU 53 2HD2 LEU 53 -4.084 0.637 -9.850 436 H GLY 54 H GLY 54 1.857 3.528 -9.913 437 HA2 GLY 54 2HA GLY 54 3.668 4.227 -11.390 438 HA3 GLY 54 1HA GLY 54 2.806 3.453 -12.714 439 H SER 55 H SER 55 0.675 4.998 -10.711 440 HA SER 55 HA SER 55 -0.112 6.967 -12.549 441 HB2 SER 55 2HB SER 55 -0.593 6.592 -9.622 442 HB3 SER 55 1HB SER 55 -1.492 7.745 -10.607 443 HG SER 55 HG SER 55 -2.471 5.733 -10.193 444 H LYS 56 H LYS 56 0.803 8.927 -12.866 445 HA LYS 56 HA LYS 56 2.854 9.764 -11.033 446 HB2 LYS 56 2HB LYS 56 2.065 10.892 -13.709 447 HB3 LYS 56 1HB LYS 56 3.323 11.599 -12.695 448 HG2 LYS 56 2HG LYS 56 4.483 9.399 -12.695 449 HG3 LYS 56 1HG LYS 56 3.288 8.816 -13.848 450 HD2 LYS 56 2HD LYS 56 3.999 10.507 -15.451 451 HD3 LYS 56 1HD LYS 56 5.153 11.150 -14.278 452 HE2 LYS 56 2HE LYS 56 5.189 8.371 -15.469 453 HE3 LYS 56 1HE LYS 56 6.271 9.693 -15.896 454 HZ1 LYS 56 3HZ LYS 56 7.120 9.648 -13.577 455 HZ2 LYS 56 1HZ LYS 56 7.342 8.170 -14.355 456 HZ3 LYS 56 2HZ LYS 56 6.116 8.361 -13.227 457 H SER 57 H SER 57 -0.051 9.910 -10.413 458 HA SER 57 HA SER 57 -0.549 12.608 -9.666 459 HB2 SER 57 2HB SER 57 -1.607 10.077 -8.389 460 HB3 SER 57 1HB SER 57 -2.424 11.633 -8.557 461 HG SER 57 HG SER 57 -3.066 9.924 -10.024 462 H ALA 58 H ALA 58 1.180 9.844 -8.601 463 HA ALA 58 HA ALA 58 1.587 9.991 -5.902 464 HB1 ALA 58 1HB ALA 58 3.471 9.256 -8.100 465 HB2 ALA 58 2HB ALA 58 2.286 8.199 -7.335 466 HB3 ALA 58 3HB ALA 58 3.651 8.847 -6.397 467 H LYS 59 H LYS 59 3.134 10.945 -4.634 468 HA LYS 59 HA LYS 59 4.330 13.381 -5.695 469 HB2 LYS 59 2HB LYS 59 3.040 13.419 -3.527 470 HB3 LYS 59 1HB LYS 59 4.279 12.403 -2.816 471 HG2 LYS 59 2HG LYS 59 5.931 14.181 -3.080 472 HG3 LYS 59 1HG LYS 59 4.743 15.179 -3.915 473 HD2 LYS 59 2HD LYS 59 3.361 15.221 -1.854 474 HD3 LYS 59 1HD LYS 59 4.600 14.277 -1.026 475 HE2 LYS 59 2HE LYS 59 6.220 16.083 -1.350 476 HE3 LYS 59 1HE LYS 59 5.031 17.011 -2.256 477 HZ1 LYS 59 3HZ LYS 59 3.676 17.158 -0.191 478 HZ2 LYS 59 1HZ LYS 59 5.200 17.813 0.035 479 HZ3 LYS 59 2HZ LYS 59 4.872 16.333 0.663 480 H ILE 60 H ILE 60 5.218 10.146 -5.094 481 HA ILE 60 HA ILE 60 8.082 10.814 -5.138 482 HB ILE 60 HB ILE 60 6.772 8.683 -3.414 483 HG12 ILE 60 2HG1 ILE 60 8.202 11.220 -2.584 484 HG13 ILE 60 1HG1 ILE 60 6.458 11.011 -2.593 485 HG21 ILE 60 1HG2 ILE 60 9.681 9.478 -3.625 486 HG22 ILE 60 2HG2 ILE 60 8.972 7.988 -4.241 487 HG23 ILE 60 3HG2 ILE 60 9.009 8.290 -2.504 488 HD11 ILE 60 3HD1 ILE 60 6.661 9.265 -0.918 489 HD12 ILE 60 1HD1 ILE 60 7.382 10.779 -0.364 490 HD13 ILE 60 2HD1 ILE 60 8.414 9.461 -0.933 491 H GLN 61 H GLN 61 9.334 9.423 -6.427 492 HA GLN 61 HA GLN 61 7.895 7.357 -7.948 493 HB2 GLN 61 2HB GLN 61 10.583 8.637 -8.578 494 HB3 GLN 61 1HB GLN 61 9.652 7.581 -9.628 495 HG2 GLN 61 2HG GLN 61 8.813 10.250 -8.673 496 HG3 GLN 61 1HG GLN 61 9.604 9.973 -10.227 497 HE21 GLN 61 1HE2 GLN 61 6.692 9.644 -8.385 498 HE22 GLN 61 2HE2 GLN 61 5.662 9.185 -9.679 499 H SER 62 H SER 62 8.115 5.888 -6.139 500 HA SER 62 HA SER 62 10.743 5.109 -5.264 501 HB2 SER 62 2HB SER 62 8.046 3.816 -4.755 502 HB3 SER 62 1HB SER 62 9.545 3.442 -3.902 503 HG SER 62 HG SER 62 7.783 5.335 -3.349 504 H GLY 63 H GLY 63 11.199 2.555 -5.312 505 HA2 GLY 63 2HA GLY 63 11.673 1.853 -7.987 506 HA3 GLY 63 1HA GLY 63 11.797 0.763 -6.613 507 H ILE 64 H ILE 64 9.013 1.095 -5.872 508 HA ILE 64 HA ILE 64 7.871 -0.884 -7.548 509 HB ILE 64 HB ILE 64 5.751 -0.370 -6.233 510 HG12 ILE 64 2HG1 ILE 64 7.772 0.990 -4.431 511 HG13 ILE 64 1HG1 ILE 64 6.474 1.794 -5.304 512 HG21 ILE 64 1HG2 ILE 64 8.166 -1.615 -5.012 513 HG22 ILE 64 2HG2 ILE 64 6.927 -2.352 -6.035 514 HG23 ILE 64 3HG2 ILE 64 6.513 -1.812 -4.402 515 HD11 ILE 64 3HD1 ILE 64 4.838 0.539 -3.989 516 HD12 ILE 64 1HD1 ILE 64 5.910 1.498 -2.965 517 HD13 ILE 64 2HD1 ILE 64 6.157 -0.243 -3.117 518 H PHE 65 H PHE 65 8.216 2.244 -8.263 519 HA PHE 65 HA PHE 65 5.616 3.014 -8.962 520 HB2 PHE 65 2HB PHE 65 7.815 4.418 -8.765 521 HB3 PHE 65 1HB PHE 65 7.992 4.016 -10.477 522 HD1 PHE 65 1HD PHE 65 5.831 5.468 -7.991 523 HD2 PHE 65 2HD PHE 65 6.703 5.159 -12.097 524 HE1 PHE 65 1HE PHE 65 4.265 7.258 -8.386 525 HE2 PHE 65 2HE PHE 65 5.105 6.996 -12.577 526 HZ PHE 65 HZ PHE 65 3.869 8.041 -10.726 527 H GLY 66 H GLY 66 4.440 1.852 -10.217 528 HA2 GLY 66 2HA GLY 66 3.675 1.108 -12.261 529 HA3 GLY 66 1HA GLY 66 5.269 1.405 -12.941 530 H LYS 67 H LYS 67 5.212 -0.467 -10.017 531 HA LYS 67 HA LYS 67 5.957 -2.793 -11.637 532 HB2 LYS 67 2HB LYS 67 5.903 -2.513 -8.624 533 HB3 LYS 67 1HB LYS 67 6.439 -3.937 -9.487 534 HG2 LYS 67 2HG LYS 67 7.758 -1.228 -9.491 535 HG3 LYS 67 1HG LYS 67 8.328 -2.665 -8.644 536 HD2 LYS 67 2HD LYS 67 9.692 -2.715 -10.494 537 HD3 LYS 67 1HD LYS 67 8.330 -3.639 -11.125 538 HE2 LYS 67 2HE LYS 67 9.068 -1.966 -12.745 539 HE3 LYS 67 1HE LYS 67 7.446 -1.584 -12.178 540 HZ1 LYS 67 3HZ LYS 67 8.688 0.436 -12.166 541 HZ2 LYS 67 1HZ LYS 67 9.973 -0.264 -11.300 542 HZ3 LYS 67 2HZ LYS 67 8.485 -0.025 -10.583 543 H GLY 68 H GLY 68 3.362 -1.705 -9.609 544 HA2 GLY 68 2HA GLY 68 2.010 -4.262 -10.058 545 HA3 GLY 68 1HA GLY 68 1.618 -3.102 -8.789 546 H SER 69 H SER 69 2.224 -2.645 -12.197 547 HA SER 69 HA SER 69 0.096 -0.778 -12.471 548 HB2 SER 69 2HB SER 69 2.181 -0.567 -13.761 549 HB3 SER 69 1HB SER 69 1.854 -2.099 -14.563 550 HG SER 69 HG SER 69 -0.268 -0.768 -15.018 551 H ALA 70 H ALA 70 -0.029 -4.022 -12.214 552 HA ALA 70 HA ALA 70 -2.168 -4.316 -14.143 553 HB1 ALA 70 1HB ALA 70 -0.439 -6.074 -14.169 554 HB2 ALA 70 2HB ALA 70 -2.022 -6.736 -13.762 555 HB3 ALA 70 3HB ALA 70 -0.826 -6.466 -12.494 556 H TYR 71 H TYR 71 -1.885 -3.240 -11.200 557 HA TYR 71 HA TYR 71 -4.357 -4.433 -10.197 558 HB2 TYR 71 2HB TYR 71 -2.220 -2.733 -8.963 559 HB3 TYR 71 1HB TYR 71 -3.798 -2.838 -8.232 560 HD1 TYR 71 1HD TYR 71 -0.815 -4.874 -9.190 561 HD2 TYR 71 2HD TYR 71 -4.376 -4.678 -6.867 562 HE1 TYR 71 1HE TYR 71 -0.135 -6.916 -7.973 563 HE2 TYR 71 2HE TYR 71 -3.717 -6.705 -5.663 564 HH TYR 71 HH TYR 71 -0.658 -8.030 -5.635 565 H SER 72 H SER 72 -6.136 -3.171 -9.932 566 HA SER 72 HA SER 72 -6.051 -0.495 -11.038 567 HB2 SER 72 2HB SER 72 -8.007 -1.989 -11.526 568 HB3 SER 72 1HB SER 72 -8.346 -2.075 -9.801 569 HG SER 72 HG SER 72 -9.176 -0.306 -11.541 570 H ARG 73 H ARG 73 -6.933 1.264 -9.579 571 HA ARG 73 HA ARG 73 -5.397 1.374 -7.215 572 HB2 ARG 73 2HB ARG 73 -7.823 3.073 -7.806 573 HB3 ARG 73 1HB ARG 73 -6.577 3.410 -6.620 574 HG2 ARG 73 2HG ARG 73 -4.944 3.588 -8.497 575 HG3 ARG 73 1HG ARG 73 -6.304 3.452 -9.616 576 HD2 ARG 73 2HD ARG 73 -6.023 5.760 -9.413 577 HD3 ARG 73 1HD ARG 73 -7.317 5.416 -8.271 578 HE ARG 73 HE ARG 73 -4.618 6.313 -7.711 579 HH11 ARG 73 1HH1 ARG 73 -7.488 4.848 -6.137 580 HH12 ARG 73 2HH1 ARG 73 -7.125 5.383 -4.605 581 HH21 ARG 73 1HH2 ARG 73 -4.224 7.232 -5.686 582 HH22 ARG 73 2HH2 ARG 73 -5.215 6.941 -4.343 583 H HIS 74 H HIS 74 -8.654 0.497 -7.812 584 HA HIS 74 HA HIS 74 -9.631 0.435 -5.130 585 HB2 HIS 74 2HB HIS 74 -11.234 0.415 -7.007 586 HB3 HIS 74 1HB HIS 74 -10.587 -1.106 -7.586 587 HD1 HIS 74 1HD HIS 74 -13.242 -1.864 -7.427 588 HD2 HIS 74 2HD HIS 74 -11.256 -1.329 -3.825 589 HE1 HIS 74 1HE HIS 74 -14.671 -2.942 -5.713 590 HE2 HIS 74 2HE HIS 74 -12.994 -3.205 -3.937 591 H ASN 75 H ASN 75 -8.035 -1.915 -7.174 592 HA ASN 75 HA ASN 75 -8.381 -4.161 -5.489 593 HB2 ASN 75 2HB ASN 75 -6.093 -3.699 -7.405 594 HB3 ASN 75 1HB ASN 75 -6.690 -5.246 -6.834 595 HD21 ASN 75 1HD2 ASN 75 -9.591 -4.135 -7.380 596 HD22 ASN 75 2HD2 ASN 75 -9.662 -4.373 -9.088 597 H ALA 76 H ALA 76 -5.683 -1.964 -6.067 598 HA ALA 76 HA ALA 76 -3.938 -3.112 -4.220 599 HB1 ALA 76 1HB ALA 76 -3.225 -1.639 -6.041 600 HB2 ALA 76 2HB ALA 76 -2.588 -1.119 -4.479 601 HB3 ALA 76 3HB ALA 76 -3.966 -0.278 -5.198 602 H GLU 77 H GLU 77 -6.193 -0.370 -3.777 603 HA GLU 77 HA GLU 77 -5.357 0.136 -1.116 604 HB2 GLU 77 2HB GLU 77 -8.007 0.833 -2.440 605 HB3 GLU 77 1HB GLU 77 -7.545 1.386 -0.835 606 HG2 GLU 77 2HG GLU 77 -5.570 2.495 -1.841 607 HG3 GLU 77 1HG GLU 77 -6.187 2.031 -3.438 608 H ARG 78 H ARG 78 -7.607 -2.132 -2.438 609 HA ARG 78 HA ARG 78 -8.726 -2.810 0.114 610 HB2 ARG 78 2HB ARG 78 -9.032 -3.937 -2.647 611 HB3 ARG 78 1HB ARG 78 -9.752 -4.723 -1.244 612 HG2 ARG 78 2HG ARG 78 -10.226 -1.816 -1.708 613 HG3 ARG 78 1HG ARG 78 -11.129 -3.024 -2.626 614 HD2 ARG 78 2HD ARG 78 -10.951 -3.135 0.369 615 HD3 ARG 78 1HD ARG 78 -12.184 -2.173 -0.457 616 HE ARG 78 HE ARG 78 -12.428 -4.479 -1.698 617 HH11 ARG 78 1HH1 ARG 78 -12.228 -3.920 1.781 618 HH12 ARG 78 2HH1 ARG 78 -13.263 -5.212 2.205 619 HH21 ARG 78 1HH2 ARG 78 -13.814 -6.175 -1.189 620 HH22 ARG 78 2HH2 ARG 78 -14.241 -6.589 0.412 621 H LEU 79 H LEU 79 -5.998 -3.648 -1.656 622 HA LEU 79 HA LEU 79 -5.530 -6.179 -0.402 623 HB2 LEU 79 2HB LEU 79 -4.615 -5.066 -2.562 624 HB3 LEU 79 1HB LEU 79 -3.423 -4.420 -1.455 625 HG LEU 79 HG LEU 79 -4.064 -7.262 -1.875 626 HD11 LEU 79 1HD1 LEU 79 -1.857 -7.203 -3.047 627 HD12 LEU 79 2HD1 LEU 79 -1.862 -5.466 -2.566 628 HD13 LEU 79 3HD1 LEU 79 -3.092 -6.058 -3.698 629 HD21 LEU 79 3HD2 LEU 79 -1.929 -7.750 -0.692 630 HD22 LEU 79 1HD2 LEU 79 -3.113 -6.949 0.341 631 HD23 LEU 79 2HD2 LEU 79 -1.770 -6.028 -0.338 632 H PHE 80 H PHE 80 -4.398 -2.825 -0.083 633 HA PHE 80 HA PHE 80 -2.889 -3.237 2.247 634 HB2 PHE 80 2HB PHE 80 -4.350 -0.799 1.239 635 HB3 PHE 80 1HB PHE 80 -3.431 -0.768 2.738 636 HD1 PHE 80 2HD PHE 80 -0.958 -1.319 2.628 637 HD2 PHE 80 1HD PHE 80 -3.273 -0.462 -0.830 638 HE1 PHE 80 2HE PHE 80 1.101 -0.826 1.381 639 HE2 PHE 80 1HE PHE 80 -1.217 0.035 -2.085 640 HZ PHE 80 HZ PHE 80 0.972 -0.148 -0.981 641 H LYS 81 H LYS 81 -6.132 -3.315 1.627 642 HA LYS 81 HA LYS 81 -6.831 -2.961 4.415 643 HB2 LYS 81 2HB LYS 81 -8.627 -3.566 2.082 644 HB3 LYS 81 1HB LYS 81 -9.211 -3.574 3.739 645 HG2 LYS 81 2HG LYS 81 -7.924 -1.208 2.368 646 HG3 LYS 81 1HG LYS 81 -9.653 -1.442 2.631 647 HD2 LYS 81 2HD LYS 81 -9.331 -1.394 5.048 648 HD3 LYS 81 1HD LYS 81 -7.589 -1.270 4.841 649 HE2 LYS 81 2HE LYS 81 -7.858 0.903 3.766 650 HE3 LYS 81 1HE LYS 81 -9.608 0.780 3.949 651 HZ1 LYS 81 3HZ LYS 81 -9.293 0.767 6.391 652 HZ2 LYS 81 1HZ LYS 81 -8.515 2.123 5.788 653 HZ3 LYS 81 2HZ LYS 81 -7.663 0.789 6.214 654 H LYS 82 H LYS 82 -6.202 -5.604 2.274 655 HA LYS 82 HA LYS 82 -7.174 -7.671 4.021 656 HB2 LYS 82 2HB LYS 82 -6.751 -8.127 1.637 657 HB3 LYS 82 1HB LYS 82 -5.078 -7.647 1.820 658 HG2 LYS 82 2HG LYS 82 -5.222 -10.048 1.634 659 HG3 LYS 82 1HG LYS 82 -4.693 -9.624 3.257 660 HD2 LYS 82 2HD LYS 82 -6.837 -10.141 4.173 661 HD3 LYS 82 1HD LYS 82 -7.566 -10.252 2.570 662 HE2 LYS 82 2HE LYS 82 -7.239 -12.519 3.324 663 HE3 LYS 82 1HE LYS 82 -6.028 -12.154 2.097 664 HZ1 LYS 82 3HZ LYS 82 -5.537 -12.295 5.039 665 HZ2 LYS 82 1HZ LYS 82 -4.424 -11.771 3.937 666 HZ3 LYS 82 2HZ LYS 82 -4.987 -13.366 3.859 667 H LEU 83 H LEU 83 -4.175 -6.085 3.294 668 HA LEU 83 HA LEU 83 -2.484 -7.313 5.068 669 HB2 LEU 83 2HB LEU 83 -2.444 -4.539 4.038 670 HB3 LEU 83 1HB LEU 83 -1.141 -5.356 4.898 671 HG LEU 83 HG LEU 83 -2.326 -6.289 2.311 672 HD11 LEU 83 1HD1 LEU 83 0.231 -4.959 2.937 673 HD12 LEU 83 2HD1 LEU 83 -1.164 -4.247 2.089 674 HD13 LEU 83 3HD1 LEU 83 -0.244 -5.577 1.339 675 HD21 LEU 83 3HD2 LEU 83 -0.363 -7.777 2.258 676 HD22 LEU 83 1HD2 LEU 83 -1.455 -8.138 3.592 677 HD23 LEU 83 2HD2 LEU 83 0.043 -7.260 3.892 678 H ILE 84 H ILE 84 -4.661 -4.505 5.682 679 HA ILE 84 HA ILE 84 -3.535 -4.182 8.265 680 HB ILE 84 HB ILE 84 -5.347 -2.624 8.795 681 HG12 ILE 84 2HG1 ILE 84 -6.738 -1.862 6.657 682 HG13 ILE 84 1HG1 ILE 84 -6.478 -3.549 6.208 683 HG21 ILE 84 1HG2 ILE 84 -3.396 -1.734 7.840 684 HG22 ILE 84 2HG2 ILE 84 -4.783 -0.867 7.176 685 HG23 ILE 84 3HG2 ILE 84 -3.960 -2.091 6.208 686 HD11 ILE 84 3HD1 ILE 84 -7.855 -2.582 8.705 687 HD12 ILE 84 1HD1 ILE 84 -7.580 -4.268 8.260 688 HD13 ILE 84 2HD1 ILE 84 -8.633 -3.256 7.272 689 H LEU 85 H LEU 85 -6.089 -6.112 7.000 690 HA LEU 85 HA LEU 85 -7.200 -6.720 9.486 691 HB2 LEU 85 2HB LEU 85 -7.308 -8.058 6.823 692 HB3 LEU 85 1HB LEU 85 -8.068 -8.788 8.228 693 HG LEU 85 HG LEU 85 -8.579 -5.993 7.461 694 HD11 LEU 85 1HD1 LEU 85 -9.191 -7.435 5.508 695 HD12 LEU 85 2HD1 LEU 85 -10.660 -6.846 6.285 696 HD13 LEU 85 3HD1 LEU 85 -10.106 -8.496 6.580 697 HD21 LEU 85 3HD2 LEU 85 -9.272 -6.585 9.678 698 HD22 LEU 85 1HD2 LEU 85 -10.137 -8.000 9.072 699 HD23 LEU 85 2HD2 LEU 85 -10.707 -6.382 8.677 700 H ASP 86 H ASP 86 -4.896 -8.332 7.347 701 HA ASP 86 HA ASP 86 -4.305 -10.553 8.998 702 HB2 ASP 86 2HB ASP 86 -2.599 -9.274 6.856 703 HB3 ASP 86 1HB ASP 86 -2.291 -10.847 7.574 704 H LYS 87 H LYS 87 -3.103 -7.301 8.828 705 HA LYS 87 HA LYS 87 -2.311 -6.018 10.499 706 HB2 LYS 87 2HB LYS 87 -2.511 -8.421 11.933 707 HB3 LYS 87 1HB LYS 87 -0.938 -7.694 12.255 708 HG2 LYS 87 2HG LYS 87 -2.443 -6.761 13.825 709 HG3 LYS 87 1HG LYS 87 -2.128 -5.516 12.632 710 HD2 LYS 87 2HD LYS 87 -4.244 -6.430 11.453 711 HD3 LYS 87 1HD LYS 87 -4.601 -7.159 13.018 712 HE2 LYS 87 2HE LYS 87 -5.710 -5.027 12.867 713 HE3 LYS 87 1HE LYS 87 -4.408 -4.915 14.052 714 HZ1 LYS 87 3HZ LYS 87 -3.044 -3.770 12.535 715 HZ2 LYS 87 1HZ LYS 87 -4.526 -3.003 12.475 716 HZ3 LYS 87 2HZ LYS 87 -4.065 -4.064 11.225 717 H ILE 88 H ILE 88 -1.013 -7.334 8.256 718 HA ILE 88 HA ILE 88 1.782 -7.036 8.811 719 HB ILE 88 HB ILE 88 0.067 -7.143 6.367 720 HG12 ILE 88 2HG1 ILE 88 1.557 -9.151 5.816 721 HG13 ILE 88 1HG1 ILE 88 2.200 -8.958 7.441 722 HG21 ILE 88 1HG2 ILE 88 3.055 -6.609 6.433 723 HG22 ILE 88 2HG2 ILE 88 1.822 -5.578 5.730 724 HG23 ILE 88 3HG2 ILE 88 2.221 -7.120 4.968 725 HD11 ILE 88 3HD1 ILE 88 -0.603 -9.641 6.651 726 HD12 ILE 88 1HD1 ILE 88 -0.101 -9.246 8.300 727 HD13 ILE 88 2HD1 ILE 88 0.580 -10.646 7.501 728 H LEU 89 H LEU 89 -0.871 -5.169 7.565 729 HA LEU 89 HA LEU 89 0.690 -2.729 7.839 730 HB2 LEU 89 2HB LEU 89 -1.661 -3.526 6.203 731 HB3 LEU 89 1HB LEU 89 -1.587 -1.875 6.759 732 HG LEU 89 HG LEU 89 -0.745 -2.278 4.426 733 HD11 LEU 89 1HD1 LEU 89 1.183 -1.134 6.418 734 HD12 LEU 89 2HD1 LEU 89 -0.197 -0.306 5.699 735 HD13 LEU 89 3HD1 LEU 89 1.163 -0.806 4.683 736 HD21 LEU 89 3HD2 LEU 89 1.597 -3.461 5.874 737 HD22 LEU 89 1HD2 LEU 89 1.486 -3.171 4.134 738 HD23 LEU 89 2HD2 LEU 89 0.442 -4.375 4.924 739 H ASP 90 H ASP 90 0.097 -1.198 9.196 740 HA ASP 90 HA ASP 90 -2.324 -1.518 10.742 741 HB2 ASP 90 2HB ASP 90 0.503 -1.129 11.841 742 HB3 ASP 90 1HB ASP 90 -0.911 -0.592 12.753 743 H GLU 91 H GLU 91 -3.501 0.187 10.256 744 HA GLU 91 HA GLU 91 -2.135 2.464 9.087 745 HB2 GLU 91 2HB GLU 91 -4.342 3.069 8.185 746 HB3 GLU 91 1HB GLU 91 -3.839 1.457 7.707 747 HG2 GLU 91 2HG GLU 91 -5.310 0.514 9.458 748 HG3 GLU 91 1HG GLU 91 -5.851 2.145 9.846 749 H ASP 92 H ASP 92 -2.553 4.539 9.635 750 HA ASP 92 HA ASP 92 -3.352 4.962 12.425 751 HB2 ASP 92 2HB ASP 92 -2.195 6.994 10.508 752 HB3 ASP 92 1HB ASP 92 -2.328 7.129 12.247 753 H LEU 93 H LEU 93 -5.479 5.264 12.547 754 HA LEU 93 HA LEU 93 -6.889 6.706 10.491 755 HB2 LEU 93 2HB LEU 93 -7.860 5.629 13.138 756 HB3 LEU 93 1HB LEU 93 -8.868 6.450 11.957 757 HG LEU 93 HG LEU 93 -7.426 3.835 11.480 758 HD11 LEU 93 1HD1 LEU 93 -9.237 3.584 13.087 759 HD12 LEU 93 2HD1 LEU 93 -9.655 2.837 11.544 760 HD13 LEU 93 3HD1 LEU 93 -10.342 4.402 11.982 761 HD21 LEU 93 3HD2 LEU 93 -7.708 5.122 9.420 762 HD22 LEU 93 1HD2 LEU 93 -9.419 5.352 9.785 763 HD23 LEU 93 2HD2 LEU 93 -8.798 3.741 9.438 764 H TYR 94 H TYR 94 -6.729 8.731 10.349 765 HA TYR 94 HA TYR 94 -6.447 10.389 12.742 766 HB2 TYR 94 2HB TYR 94 -4.350 10.297 11.561 767 HB3 TYR 94 1HB TYR 94 -5.156 10.543 10.022 768 HD1 TYR 94 2HD TYR 94 -4.062 12.182 13.140 769 HD2 TYR 94 1HD TYR 94 -5.699 12.736 9.257 770 HE1 TYR 94 2HE TYR 94 -3.623 14.600 13.304 771 HE2 TYR 94 1HE TYR 94 -5.261 15.152 9.403 772 HH TYR 94 HH TYR 94 -4.948 16.851 11.182 773 H ILE 95 H ILE 95 -8.127 11.798 12.917 774 HA ILE 95 HA ILE 95 -9.385 12.613 10.450 775 HB ILE 95 HB ILE 95 -10.705 10.863 11.744 776 HG12 ILE 95 2HG1 ILE 95 -12.038 13.540 11.591 777 HG13 ILE 95 1HG1 ILE 95 -11.760 12.478 10.211 778 HG21 ILE 95 1HG2 ILE 95 -10.203 11.507 13.998 779 HG22 ILE 95 2HG2 ILE 95 -11.970 11.723 13.662 780 HG23 ILE 95 3HG2 ILE 95 -10.903 13.115 13.667 781 HD11 ILE 95 3HD1 ILE 95 -13.423 11.921 12.623 782 HD12 ILE 95 1HD1 ILE 95 -13.038 10.743 11.352 783 HD13 ILE 95 2HD1 ILE 95 -13.965 12.199 10.944 784 H ASN 96 H ASN 96 -9.893 14.720 10.398 785 HA ASN 96 HA ASN 96 -8.889 16.316 12.632 786 HB2 ASN 96 2HB ASN 96 -8.991 18.287 11.069 787 HB3 ASN 96 1HB ASN 96 -7.889 17.024 10.549 788 HD21 ASN 96 1HD2 ASN 96 -10.802 18.796 9.788 789 HD22 ASN 96 2HD2 ASN 96 -10.964 18.074 8.222 790 H ALA 97 H ALA 97 -10.205 18.515 12.834 791 HA ALA 97 HA ALA 97 -12.571 17.722 14.151 792 HB1 ALA 97 1HB ALA 97 -11.099 19.530 14.903 793 HB2 ALA 97 2HB ALA 97 -12.783 20.038 14.787 794 HB3 ALA 97 3HB ALA 97 -11.633 20.514 13.539 795 H ASN 98 H ASN 98 -12.602 17.569 11.103 796 HA ASN 98 HA ASN 98 -15.190 18.954 10.671 797 HB2 ASN 98 2HB ASN 98 -13.140 18.130 8.642 798 HB3 ASN 98 1HB ASN 98 -14.690 18.843 8.252 799 HD21 ASN 98 1HD2 ASN 98 -12.102 19.801 7.465 800 HD22 ASN 98 2HD2 ASN 98 -11.926 21.382 8.155 801 H ASP 99 H ASP 99 -14.052 16.208 11.628 802 HA ASP 99 HA ASP 99 -14.333 14.029 11.441 803 HB2 ASP 99 2HB ASP 99 -16.981 14.956 10.297 804 HB3 ASP 99 1HB ASP 99 -16.624 13.245 10.504 805 H GLN 100 H GLN 100 -12.959 15.329 9.428 806 HA GLN 100 HA GLN 100 -13.314 13.666 7.049 807 HB2 GLN 100 2HB GLN 100 -11.504 16.018 7.624 808 HB3 GLN 100 1HB GLN 100 -11.474 15.090 6.128 809 HG2 GLN 100 2HG GLN 100 -13.653 15.799 5.533 810 HG3 GLN 100 1HG GLN 100 -13.945 16.468 7.135 811 HE21 GLN 100 1HE2 GLN 100 -14.081 17.700 4.498 812 HE22 GLN 100 2HE2 GLN 100 -13.014 19.060 4.547 813 H ALA 101 H ALA 101 -12.470 11.759 7.326 814 HA ALA 101 HA ALA 101 -10.079 11.411 8.975 815 HB1 ALA 101 1HB ALA 101 -12.062 10.115 9.592 816 HB2 ALA 101 2HB ALA 101 -10.703 9.085 9.139 817 HB3 ALA 101 3HB ALA 101 -12.033 9.341 8.009 818 H ILE 102 H ILE 102 -8.309 10.443 8.300 819 HA ILE 102 HA ILE 102 -8.210 9.242 5.678 820 HB ILE 102 HB ILE 102 -7.417 11.594 5.340 821 HG12 ILE 102 2HG1 ILE 102 -5.183 11.103 4.352 822 HG13 ILE 102 1HG1 ILE 102 -5.221 9.530 5.138 823 HG21 ILE 102 1HG2 ILE 102 -6.600 12.071 7.538 824 HG22 ILE 102 2HG2 ILE 102 -5.325 12.329 6.324 825 HG23 ILE 102 3HG2 ILE 102 -5.316 10.869 7.323 826 HD11 ILE 102 3HD1 ILE 102 -5.834 9.399 2.792 827 HD12 ILE 102 1HD1 ILE 102 -7.167 10.520 3.089 828 HD13 ILE 102 2HD1 ILE 102 -7.171 8.919 3.845 829 H ALA 103 H ALA 103 -6.577 7.642 5.557 830 HA ALA 103 HA ALA 103 -5.567 6.816 8.178 831 HB1 ALA 103 1HB ALA 103 -7.247 5.308 7.224 832 HB2 ALA 103 2HB ALA 103 -5.668 4.533 7.343 833 HB3 ALA 103 3HB ALA 103 -6.249 5.116 5.782 834 H TYR 104 H TYR 104 -3.451 6.676 8.397 835 HA TYR 104 HA TYR 104 -1.794 6.977 6.009 836 HB2 TYR 104 2HB TYR 104 -0.995 7.253 8.927 837 HB3 TYR 104 1HB TYR 104 0.055 7.442 7.530 838 HD1 TYR 104 2HD TYR 104 -2.934 8.911 9.170 839 HD2 TYR 104 1HD TYR 104 0.289 9.485 6.456 840 HE1 TYR 104 2HE TYR 104 -3.448 11.310 9.065 841 HE2 TYR 104 1HE TYR 104 -0.220 11.883 6.350 842 HH TYR 104 HH TYR 104 -2.518 13.298 8.522 843 H VAL 105 H VAL 105 0.234 5.713 5.991 844 HA VAL 105 HA VAL 105 -0.438 3.021 6.776 845 HB VAL 105 HB VAL 105 0.876 4.094 4.335 846 HG11 VAL 105 1HG1 VAL 105 2.539 2.448 5.179 847 HG12 VAL 105 2HG1 VAL 105 1.679 1.809 3.775 848 HG13 VAL 105 3HG1 VAL 105 1.247 1.274 5.399 849 HG21 VAL 105 3HG2 VAL 105 -1.423 3.623 4.477 850 HG22 VAL 105 1HG2 VAL 105 -1.079 1.987 5.036 851 HG23 VAL 105 2HG2 VAL 105 -0.642 2.456 3.370 852 H MET 106 H MET 106 0.538 2.035 8.140 853 HA MET 106 HA MET 106 3.413 2.303 8.521 854 HB2 MET 106 2HB MET 106 1.326 2.200 10.734 855 HB3 MET 106 1HB MET 106 3.044 1.953 10.993 856 HG2 MET 106 2HG MET 106 1.802 4.482 9.938 857 HG3 MET 106 1HG MET 106 2.258 4.202 11.615 858 HE1 MET 106 3HE MET 106 3.628 6.467 11.495 859 HE2 MET 106 1HE MET 106 3.191 6.657 9.797 860 HE3 MET 106 2HE MET 106 4.877 6.799 10.295 861 H LEU 107 H LEU 107 4.208 0.283 9.587 862 HA LEU 107 HA LEU 107 2.382 -1.935 9.224 863 HB2 LEU 107 2HB LEU 107 4.201 -3.340 8.310 864 HB3 LEU 107 1HB LEU 107 3.826 -1.987 7.275 865 HG LEU 107 HG LEU 107 6.249 -2.071 9.096 866 HD11 LEU 107 1HD1 LEU 107 7.521 -2.621 7.082 867 HD12 LEU 107 2HD1 LEU 107 6.022 -2.731 6.161 868 HD13 LEU 107 3HD1 LEU 107 6.346 -3.882 7.456 869 HD21 LEU 107 3HD2 LEU 107 5.572 0.191 8.397 870 HD22 LEU 107 1HD2 LEU 107 5.572 -0.331 6.711 871 HD23 LEU 107 2HD2 LEU 107 7.080 -0.288 7.623 872 H GLY 108 H GLY 108 2.228 -3.190 10.996 873 HA2 GLY 108 2HA GLY 108 4.219 -2.548 13.034 874 HA3 GLY 108 1HA GLY 108 2.517 -2.607 13.336 875 H ASN 109 H ASN 109 1.428 -4.575 13.201 876 HA ASN 109 HA ASN 109 2.649 -6.294 15.048 877 HB2 ASN 109 2HB ASN 109 0.303 -5.908 15.154 878 HB3 ASN 109 1HB ASN 109 0.052 -6.628 13.578 879 HD21 ASN 109 1HD2 ASN 109 0.764 -7.228 16.915 880 HD22 ASN 109 2HD2 ASN 109 0.399 -8.914 16.926 881 H LYS 110 H LYS 110 1.999 -7.055 11.630 882 HA LYS 110 HA LYS 110 3.500 -9.560 12.079 883 HB2 LYS 110 2HB LYS 110 1.818 -8.775 9.701 884 HB3 LYS 110 1HB LYS 110 2.614 -10.303 9.927 885 HG2 LYS 110 2HG LYS 110 0.352 -9.228 11.559 886 HG3 LYS 110 1HG LYS 110 0.244 -10.452 10.304 887 HD2 LYS 110 2HD LYS 110 1.798 -11.852 11.691 888 HD3 LYS 110 1HD LYS 110 1.584 -10.660 12.982 889 HE2 LYS 110 2HE LYS 110 -0.532 -12.345 11.667 890 HE3 LYS 110 1HE LYS 110 -0.017 -12.406 13.356 891 HZ1 LYS 110 3HZ LYS 110 -0.829 -10.053 13.515 892 HZ2 LYS 110 1HZ LYS 110 -2.072 -11.193 13.233 893 HZ3 LYS 110 2HZ LYS 110 -1.492 -10.261 11.963 894 H ALA 111 H ALA 111 4.372 -6.598 11.414 895 HA ALA 111 HA ALA 111 5.333 -6.448 8.810 896 HB1 ALA 111 1HB ALA 111 6.731 -4.620 9.559 897 HB2 ALA 111 2HB ALA 111 6.504 -5.111 11.238 898 HB3 ALA 111 3HB ALA 111 5.133 -4.524 10.294 899 H GLN 112 H GLN 112 7.033 -7.597 11.687 900 HA GLN 112 HA GLN 112 9.461 -7.941 10.234 901 HB2 GLN 112 2HB GLN 112 10.437 -8.801 12.254 902 HB3 GLN 112 1HB GLN 112 9.377 -7.473 12.680 903 HG2 GLN 112 2HG GLN 112 8.824 -8.932 14.350 904 HG3 GLN 112 1HG GLN 112 7.674 -9.458 13.120 905 HE21 GLN 112 1HE2 GLN 112 7.929 -11.515 12.193 906 HE22 GLN 112 2HE2 GLN 112 9.128 -12.628 12.756 907 H THR 113 H THR 113 6.686 -9.873 10.709 908 HA THR 113 HA THR 113 7.924 -12.375 10.186 909 HB THR 113 HB THR 113 4.998 -11.663 9.903 910 HG1 THR 113 1HG THR 113 5.224 -12.479 12.281 911 HG21 THR 113 3HG2 THR 113 5.726 -13.944 9.199 912 HG22 THR 113 1HG2 THR 113 4.680 -13.993 10.621 913 HG23 THR 113 2HG2 THR 113 6.424 -14.188 10.795 914 H VAL 114 H VAL 114 6.615 -9.763 8.347 915 HA VAL 114 HA VAL 114 6.387 -11.149 5.844 916 HB VAL 114 HB VAL 114 6.889 -8.200 6.250 917 HG11 VAL 114 1HG1 VAL 114 5.563 -7.964 4.153 918 HG12 VAL 114 2HG1 VAL 114 5.554 -9.721 4.013 919 HG13 VAL 114 3HG1 VAL 114 7.079 -8.840 3.953 920 HG21 VAL 114 3HG2 VAL 114 5.024 -8.788 7.650 921 HG22 VAL 114 1HG2 VAL 114 4.240 -9.616 6.302 922 HG23 VAL 114 2HG2 VAL 114 4.477 -7.871 6.245 923 H LEU 115 H LEU 115 8.785 -9.218 7.519 924 HA LEU 115 HA LEU 115 10.744 -9.148 5.476 925 HB2 LEU 115 2HB LEU 115 11.142 -9.047 8.467 926 HB3 LEU 115 1HB LEU 115 12.306 -8.540 7.260 927 HG LEU 115 HG LEU 115 9.630 -7.275 7.743 928 HD11 LEU 115 1HD1 LEU 115 10.925 -5.384 8.661 929 HD12 LEU 115 2HD1 LEU 115 12.411 -6.305 8.439 930 HD13 LEU 115 3HD1 LEU 115 11.196 -6.859 9.590 931 HD21 LEU 115 3HD2 LEU 115 10.459 -5.481 6.258 932 HD22 LEU 115 1HD2 LEU 115 10.315 -7.030 5.429 933 HD23 LEU 115 2HD2 LEU 115 11.899 -6.446 5.932 934 H ASN 116 H ASN 116 10.129 -11.355 8.164 935 HA ASN 116 HA ASN 116 12.239 -13.152 7.523 936 HB2 ASN 116 2HB ASN 116 11.162 -13.072 9.747 937 HB3 ASN 116 1HB ASN 116 9.642 -13.574 9.042 938 HD21 ASN 116 1HD2 ASN 116 12.750 -15.016 8.140 939 HD22 ASN 116 2HD2 ASN 116 12.408 -16.542 8.867 940 H GLY 117 H GLY 117 9.091 -12.573 6.327 941 HA2 GLY 117 2HA GLY 117 7.897 -13.341 4.561 942 HA3 GLY 117 1HA GLY 117 9.345 -14.203 3.998 943 H ASN 118 H ASN 118 8.015 -14.675 7.102 944 HA ASN 118 HA ASN 118 7.128 -17.413 6.447 945 HB2 ASN 118 2HB ASN 118 8.671 -16.918 8.442 946 HB3 ASN 118 1HB ASN 118 7.340 -16.026 9.149 947 HD21 ASN 118 1HD2 ASN 118 7.344 -17.401 10.938 948 HD22 ASN 118 2HD2 ASN 118 6.683 -19.004 10.838 949 H LEU 119 H LEU 119 5.823 -15.159 5.481 950 HA LEU 119 HA LEU 119 3.235 -15.253 6.659 951 HB2 LEU 119 2HB LEU 119 4.062 -13.412 7.837 952 HB3 LEU 119 1HB LEU 119 5.094 -12.906 6.531 953 HG LEU 119 HG LEU 119 3.183 -11.375 7.133 954 HD11 LEU 119 1HD1 LEU 119 3.137 -12.369 4.309 955 HD12 LEU 119 2HD1 LEU 119 4.443 -11.443 4.962 956 HD13 LEU 119 3HD1 LEU 119 2.814 -10.701 4.842 957 HD21 LEU 119 3HD2 LEU 119 1.419 -13.003 7.508 958 HD22 LEU 119 1HD2 LEU 119 1.599 -13.593 5.852 959 HD23 LEU 119 2HD2 LEU 119 0.974 -11.981 6.126 960 H LYS 120 H LYS 120 1.912 -15.554 5.097 961 HA LYS 120 HA LYS 120 2.435 -14.319 2.545 962 HB2 LYS 120 2HB LYS 120 1.436 -16.335 1.429 963 HB3 LYS 120 1HB LYS 120 2.970 -16.633 2.198 964 HG2 LYS 120 2HG LYS 120 1.756 -18.526 2.735 965 HG3 LYS 120 1HG LYS 120 1.646 -17.510 4.167 966 HD2 LYS 120 2HD LYS 120 -0.555 -18.583 3.582 967 HD3 LYS 120 1HD LYS 120 -0.632 -16.821 3.541 968 HE2 LYS 120 2HE LYS 120 -0.456 -16.811 1.144 969 HE3 LYS 120 1HE LYS 120 -0.172 -18.548 1.109 970 HZ1 LYS 120 3HZ LYS 120 -2.762 -17.128 1.679 971 HZ2 LYS 120 1HZ LYS 120 -2.507 -18.778 1.987 972 HZ3 LYS 120 2HZ LYS 120 -2.317 -18.149 0.453 973 H VAL 121 H VAL 121 0.581 -13.236 1.707 974 HA VAL 121 HA VAL 121 -1.780 -13.682 3.335 975 HB VAL 121 HB VAL 121 -2.497 -11.466 3.107 976 HG11 VAL 121 1HG1 VAL 121 -0.725 -10.080 4.054 977 HG12 VAL 121 2HG1 VAL 121 0.432 -11.361 3.681 978 HG13 VAL 121 3HG1 VAL 121 -0.887 -11.662 4.816 979 HG21 VAL 121 3HG2 VAL 121 -0.327 -11.085 1.098 980 HG22 VAL 121 1HG2 VAL 121 -1.319 -9.747 1.758 981 HG23 VAL 121 2HG2 VAL 121 -2.085 -11.089 0.886 982 H ASP 122 H ASP 122 -3.650 -12.463 1.730 983 HA ASP 122 HA ASP 122 -3.553 -14.222 -0.638 984 HB2 ASP 122 2HB ASP 122 -6.014 -13.890 0.997 985 HB3 ASP 122 1HB ASP 122 -5.591 -15.165 -0.151 986 H PHE 123 H PHE 123 -4.531 -13.294 -2.398 987 HA PHE 123 HA PHE 123 -6.560 -11.338 -2.062 988 HB2 PHE 123 2HB PHE 123 -4.287 -10.086 -1.903 989 HB3 PHE 123 1HB PHE 123 -4.141 -10.409 -3.628 990 HD1 PHE 123 1HD PHE 123 -6.740 -9.165 -1.265 991 HD2 PHE 123 2HD PHE 123 -4.778 -8.676 -5.003 992 HE1 PHE 123 1HE PHE 123 -8.121 -7.190 -1.720 993 HE2 PHE 123 2HE PHE 123 -6.157 -6.699 -5.465 994 HZ PHE 123 HZ PHE 123 -7.832 -5.956 -3.825 995 H MET 124 H MET 124 -6.853 -10.436 -4.657 996 HA MET 124 HA MET 124 -6.459 -12.657 -6.456 997 HB2 MET 124 2HB MET 124 -8.827 -12.621 -7.202 998 HB3 MET 124 1HB MET 124 -8.674 -13.150 -5.537 999 HG2 MET 124 2HG MET 124 -9.340 -10.889 -4.797 1000 HG3 MET 124 1HG MET 124 -9.564 -10.432 -6.487 1001 HE1 MET 124 3HE MET 124 -12.053 -9.664 -5.931 1002 HE2 MET 124 1HE MET 124 -11.848 -10.143 -4.245 1003 HE3 MET 124 2HE MET 124 -13.250 -10.705 -5.159 1004 H GLU 125 H GLU 125 -6.798 -11.991 -8.719 1005 HA GLU 125 HA GLU 125 -5.426 -9.896 -9.589 1006 HB2 GLU 125 2HB GLU 125 -7.938 -10.883 -10.959 1007 HB3 GLU 125 1HB GLU 125 -6.712 -9.892 -11.714 1008 HG2 GLU 125 2HG GLU 125 -6.356 -12.097 -12.473 1009 HG3 GLU 125 1HG GLU 125 -5.091 -11.787 -11.289 1010 H THR 126 H THR 126 -8.927 -9.663 -9.165 1011 HA THR 126 HA THR 126 -8.525 -6.829 -8.806 1012 HB THR 126 HB THR 126 -9.154 -7.001 -11.152 1013 HG1 THR 126 1HG THR 126 -11.410 -6.089 -9.659 1014 HG21 THR 126 3HG2 THR 126 -11.343 -7.911 -11.848 1015 HG22 THR 126 1HG2 THR 126 -11.646 -8.428 -10.188 1016 HG23 THR 126 2HG2 THR 126 -10.333 -9.156 -11.111 1017 H GLU 127 H GLU 127 -9.896 -5.850 -7.535 1018 HA GLU 127 HA GLU 127 -12.220 -7.107 -6.402 1019 HB2 GLU 127 2HB GLU 127 -9.961 -7.386 -4.980 1020 HB3 GLU 127 1HB GLU 127 -10.189 -5.679 -4.671 1021 HG2 GLU 127 2HG GLU 127 -12.140 -7.869 -3.939 1022 HG3 GLU 127 1HG GLU 127 -10.986 -7.135 -2.846 Start of MODEL 4 1 H1 CYS 1 1HT CYS 1 -20.905 -31.901 -13.876 2 H2 CYS 1 2HT CYS 1 -20.407 -32.043 -12.239 3 H3 CYS 1 3HT CYS 1 -19.514 -32.801 -13.439 4 HA CYS 1 HA CYS 1 -18.852 -30.707 -14.325 5 HB2 CYS 1 2HB CYS 1 -20.412 -29.566 -11.987 6 HB3 CYS 1 1HB CYS 1 -19.553 -28.654 -13.228 7 HG CYS 1 HG CYS 1 -22.059 -28.238 -14.055 8 H LYS 2 H LYS 2 -17.288 -29.165 -12.861 9 HA LYS 2 HA LYS 2 -16.325 -30.737 -10.598 10 HB2 LYS 2 2HB LYS 2 -14.929 -31.153 -12.689 11 HB3 LYS 2 1HB LYS 2 -14.586 -29.432 -12.728 12 HG2 LYS 2 2HG LYS 2 -13.501 -29.631 -10.504 13 HG3 LYS 2 1HG LYS 2 -13.788 -31.369 -10.548 14 HD2 LYS 2 2HD LYS 2 -11.546 -31.085 -11.243 15 HD3 LYS 2 1HD LYS 2 -12.455 -31.385 -12.720 16 HE2 LYS 2 2HE LYS 2 -10.883 -29.601 -13.131 17 HE3 LYS 2 1HE LYS 2 -12.503 -28.912 -13.116 18 HZ1 LYS 2 3HZ LYS 2 -10.790 -27.599 -11.867 19 HZ2 LYS 2 1HZ LYS 2 -10.652 -28.859 -10.790 20 HZ3 LYS 2 2HZ LYS 2 -12.107 -28.012 -10.914 21 H THR 3 H THR 3 -15.347 -29.323 -8.999 22 HA THR 3 HA THR 3 -16.307 -26.691 -8.978 23 HB THR 3 HB THR 3 -14.622 -26.640 -6.993 24 HG1 THR 3 1HG THR 3 -14.064 -28.808 -6.334 25 HG21 THR 3 3HG2 THR 3 -16.163 -27.944 -5.577 26 HG22 THR 3 1HG2 THR 3 -16.879 -28.661 -7.020 27 HG23 THR 3 2HG2 THR 3 -17.055 -26.934 -6.714 28 H LYS 4 H LYS 4 -15.109 -24.797 -9.385 29 HA LYS 4 HA LYS 4 -12.960 -25.217 -11.236 30 HB2 LYS 4 2HB LYS 4 -13.782 -22.559 -10.131 31 HB3 LYS 4 1HB LYS 4 -12.865 -22.905 -11.586 32 HG2 LYS 4 2HG LYS 4 -14.823 -22.639 -12.693 33 HG3 LYS 4 1HG LYS 4 -15.232 -24.237 -12.063 34 HD2 LYS 4 2HD LYS 4 -17.058 -22.796 -11.525 35 HD3 LYS 4 1HD LYS 4 -16.169 -23.071 -10.026 36 HE2 LYS 4 2HE LYS 4 -14.954 -20.903 -10.458 37 HE3 LYS 4 1HE LYS 4 -16.053 -20.635 -11.805 38 HZ1 LYS 4 3HZ LYS 4 -16.882 -19.471 -9.932 39 HZ2 LYS 4 1HZ LYS 4 -16.702 -20.818 -8.934 40 HZ3 LYS 4 2HZ LYS 4 -17.901 -20.813 -10.137 41 H ASP 5 H ASP 5 -10.965 -25.246 -10.811 42 HA ASP 5 HA ASP 5 -10.053 -24.892 -8.165 43 HB2 ASP 5 2HB ASP 5 -7.848 -25.552 -9.279 44 HB3 ASP 5 1HB ASP 5 -9.184 -26.717 -9.283 45 H TYR 6 H TYR 6 -10.051 -22.952 -7.521 46 HA TYR 6 HA TYR 6 -9.477 -20.685 -9.106 47 HB2 TYR 6 2HB TYR 6 -9.688 -20.915 -6.097 48 HB3 TYR 6 1HB TYR 6 -9.671 -19.413 -7.009 49 HD1 TYR 6 2HD TYR 6 -11.586 -19.099 -8.750 50 HD2 TYR 6 1HD TYR 6 -11.714 -21.949 -5.592 51 HE1 TYR 6 2HE TYR 6 -14.038 -19.200 -8.946 52 HE2 TYR 6 1HE TYR 6 -14.163 -22.058 -5.780 53 HH TYR 6 HH TYR 6 -15.955 -20.654 -6.566 54 H LYS 7 H LYS 7 -7.563 -20.522 -9.873 55 HA LYS 7 HA LYS 7 -5.233 -20.906 -8.165 56 HB2 LYS 7 2HB LYS 7 -5.513 -20.588 -11.165 57 HB3 LYS 7 1HB LYS 7 -3.975 -20.774 -10.330 58 HG2 LYS 7 2HG LYS 7 -4.545 -22.984 -9.599 59 HG3 LYS 7 1HG LYS 7 -6.196 -22.806 -10.182 60 HD2 LYS 7 2HD LYS 7 -3.752 -22.764 -11.955 61 HD3 LYS 7 1HD LYS 7 -4.714 -24.205 -11.636 62 HE2 LYS 7 2HE LYS 7 -5.699 -21.657 -12.946 63 HE3 LYS 7 1HE LYS 7 -5.345 -23.174 -13.761 64 HZ1 LYS 7 3HZ LYS 7 -7.126 -24.234 -12.439 65 HZ2 LYS 7 1HZ LYS 7 -7.739 -22.983 -13.368 66 HZ3 LYS 7 2HZ LYS 7 -7.491 -22.826 -11.701 67 H THR 8 H THR 8 -4.960 -19.133 -7.027 68 HA THR 8 HA THR 8 -5.022 -16.529 -8.353 69 HB THR 8 HB THR 8 -6.048 -17.145 -5.553 70 HG1 THR 8 1HG THR 8 -7.104 -17.541 -8.022 71 HG21 THR 8 3HG2 THR 8 -6.425 -14.830 -7.453 72 HG22 THR 8 1HG2 THR 8 -5.532 -14.806 -5.934 73 HG23 THR 8 2HG2 THR 8 -7.282 -15.036 -5.918 74 H ARG 9 H ARG 9 -3.820 -14.886 -6.395 75 HA ARG 9 HA ARG 9 -1.324 -16.317 -6.113 76 HB2 ARG 9 2HB ARG 9 -1.994 -13.421 -6.300 77 HB3 ARG 9 1HB ARG 9 -0.461 -13.941 -5.623 78 HG2 ARG 9 2HG ARG 9 0.036 -15.069 -7.675 79 HG3 ARG 9 1HG ARG 9 -1.516 -14.523 -8.338 80 HD2 ARG 9 2HD ARG 9 0.542 -12.689 -7.179 81 HD3 ARG 9 1HD ARG 9 0.418 -13.102 -8.896 82 HE ARG 9 HE ARG 9 -2.022 -12.283 -8.456 83 HH11 ARG 9 1HH1 ARG 9 0.934 -10.709 -7.153 84 HH12 ARG 9 2HH1 ARG 9 0.266 -9.159 -7.333 85 HH21 ARG 9 1HH2 ARG 9 -2.782 -10.294 -8.710 86 HH22 ARG 9 2HH2 ARG 9 -1.947 -8.852 -8.219 87 H ASP 10 H ASP 10 -0.214 -16.550 -4.363 88 HA ASP 10 HA ASP 10 -1.370 -15.790 -1.794 89 HB2 ASP 10 2HB ASP 10 -0.157 -18.060 -2.544 90 HB3 ASP 10 1HB ASP 10 1.257 -17.156 -2.137 91 H VAL 11 H VAL 11 -0.928 -13.709 -1.902 92 HA VAL 11 HA VAL 11 1.445 -12.730 -3.141 93 HB VAL 11 HB VAL 11 0.741 -10.433 -2.451 94 HG11 VAL 11 1HG1 VAL 11 0.168 -11.304 -4.609 95 HG12 VAL 11 2HG1 VAL 11 -1.134 -10.310 -3.955 96 HG13 VAL 11 3HG1 VAL 11 -1.278 -12.079 -3.945 97 HG21 VAL 11 3HG2 VAL 11 -0.435 -11.092 -0.497 98 HG22 VAL 11 1HG2 VAL 11 -1.696 -11.867 -1.456 99 HG23 VAL 11 2HG2 VAL 11 -1.460 -10.096 -1.551 100 H THR 12 H THR 12 2.895 -13.727 -1.961 101 HA THR 12 HA THR 12 3.351 -12.382 0.565 102 HB THR 12 HB THR 12 4.943 -13.827 1.150 103 HG1 THR 12 1HG THR 12 4.701 -15.581 -1.047 104 HG21 THR 12 3HG2 THR 12 2.551 -14.459 1.103 105 HG22 THR 12 1HG2 THR 12 3.637 -15.865 1.285 106 HG23 THR 12 2HG2 THR 12 2.917 -15.479 -0.275 107 H ASP 13 H ASP 13 5.328 -12.992 -2.332 108 HA ASP 13 HA ASP 13 7.042 -10.910 -1.344 109 HB2 ASP 13 2HB ASP 13 7.979 -13.005 -2.490 110 HB3 ASP 13 1HB ASP 13 7.475 -12.265 -4.011 111 H ASP 14 H ASP 14 4.313 -11.120 -3.298 112 HA ASP 14 HA ASP 14 4.697 -8.825 -4.933 113 HB2 ASP 14 2HB ASP 14 2.100 -9.668 -3.632 114 HB3 ASP 14 1HB ASP 14 2.315 -8.886 -5.187 115 H VAL 15 H VAL 15 3.484 -9.577 -1.813 116 HA VAL 15 HA VAL 15 2.937 -6.957 -0.922 117 HB VAL 15 HB VAL 15 3.204 -9.645 0.488 118 HG11 VAL 15 1HG1 VAL 15 3.933 -7.833 2.064 119 HG12 VAL 15 2HG1 VAL 15 2.376 -8.518 2.532 120 HG13 VAL 15 3HG1 VAL 15 2.442 -6.958 1.717 121 HG21 VAL 15 3HG2 VAL 15 0.894 -7.768 0.010 122 HG22 VAL 15 1HG2 VAL 15 0.809 -9.348 0.780 123 HG23 VAL 15 2HG2 VAL 15 1.235 -9.219 -0.926 124 H LYS 16 H LYS 16 5.630 -9.198 -0.474 125 HA LYS 16 HA LYS 16 7.147 -7.487 1.163 126 HB2 LYS 16 2HB LYS 16 7.462 -9.927 0.910 127 HB3 LYS 16 1HB LYS 16 8.252 -9.584 -0.618 128 HG2 LYS 16 2HG LYS 16 10.044 -8.504 0.321 129 HG3 LYS 16 1HG LYS 16 9.200 -8.198 1.836 130 HD2 LYS 16 2HD LYS 16 9.968 -10.898 0.841 131 HD3 LYS 16 1HD LYS 16 10.954 -9.928 1.962 132 HE2 LYS 16 2HE LYS 16 8.956 -9.851 3.477 133 HE3 LYS 16 1HE LYS 16 8.161 -10.983 2.408 134 HZ1 LYS 16 3HZ LYS 16 9.262 -11.929 4.383 135 HZ2 LYS 16 1HZ LYS 16 10.749 -11.565 3.715 136 HZ3 LYS 16 2HZ LYS 16 9.725 -12.677 2.923 137 H SER 17 H SER 17 7.102 -7.778 -2.359 138 HA SER 17 HA SER 17 9.289 -6.072 -2.740 139 HB2 SER 17 2HB SER 17 8.260 -5.646 -5.049 140 HB3 SER 17 1HB SER 17 8.609 -7.325 -4.648 141 HG SER 17 HG SER 17 6.543 -7.741 -4.441 142 H ILE 18 H ILE 18 5.824 -5.367 -2.533 143 HA ILE 18 HA ILE 18 5.902 -2.602 -2.651 144 HB ILE 18 HB ILE 18 4.222 -4.479 -0.995 145 HG12 ILE 18 2HG1 ILE 18 3.552 -2.804 -3.428 146 HG13 ILE 18 1HG1 ILE 18 3.884 -4.531 -3.429 147 HG21 ILE 18 1HG2 ILE 18 2.706 -2.621 -0.460 148 HG22 ILE 18 2HG2 ILE 18 3.893 -1.491 -1.137 149 HG23 ILE 18 3HG2 ILE 18 4.309 -2.486 0.265 150 HD11 ILE 18 3HD1 ILE 18 1.500 -4.081 -3.578 151 HD12 ILE 18 1HD1 ILE 18 1.569 -3.173 -2.066 152 HD13 ILE 18 2HD1 ILE 18 1.888 -4.907 -2.068 153 H VAL 19 H VAL 19 6.317 -4.687 0.164 154 HA VAL 19 HA VAL 19 6.817 -2.730 2.062 155 HB VAL 19 HB VAL 19 7.689 -5.609 1.983 156 HG11 VAL 19 1HG1 VAL 19 9.182 -4.335 3.509 157 HG12 VAL 19 2HG1 VAL 19 8.093 -5.383 4.429 158 HG13 VAL 19 3HG1 VAL 19 7.761 -3.653 4.297 159 HG21 VAL 19 3HG2 VAL 19 5.317 -5.145 2.037 160 HG22 VAL 19 1HG2 VAL 19 5.582 -4.147 3.471 161 HG23 VAL 19 2HG2 VAL 19 5.879 -5.910 3.537 162 H ARG 20 H ARG 20 9.147 -4.484 0.071 163 HA ARG 20 HA ARG 20 11.449 -3.373 1.206 164 HB2 ARG 20 2HB ARG 20 10.981 -4.413 -1.576 165 HB3 ARG 20 1HB ARG 20 12.564 -3.881 -1.013 166 HG2 ARG 20 2HG ARG 20 12.447 -5.502 0.786 167 HG3 ARG 20 1HG ARG 20 10.890 -6.061 0.168 168 HD2 ARG 20 2HD ARG 20 13.522 -6.169 -1.326 169 HD3 ARG 20 1HD ARG 20 12.773 -7.534 -0.513 170 HE ARG 20 HE ARG 20 11.757 -6.176 -2.912 171 HH11 ARG 20 1HH1 ARG 20 11.779 -9.056 -0.804 172 HH12 ARG 20 2HH1 ARG 20 10.864 -9.999 -1.902 173 HH21 ARG 20 1HH2 ARG 20 10.569 -7.674 -4.464 174 HH22 ARG 20 2HH2 ARG 20 10.230 -9.245 -3.907 175 H PHE 21 H PHE 21 9.282 -2.047 -1.155 176 HA PHE 21 HA PHE 21 11.131 0.040 -1.624 177 HB2 PHE 21 2HB PHE 21 8.395 -0.441 -2.681 178 HB3 PHE 21 1HB PHE 21 9.214 1.090 -2.956 179 HD1 PHE 21 2HD PHE 21 11.418 1.061 -4.050 180 HD2 PHE 21 1HD PHE 21 8.883 -2.272 -3.935 181 HE1 PHE 21 2HE PHE 21 12.626 0.115 -6.012 182 HE2 PHE 21 1HE PHE 21 10.013 -3.264 -5.880 183 HZ PHE 21 HZ PHE 21 11.918 -2.066 -6.929 184 H VAL 22 H VAL 22 8.131 -0.304 0.228 185 HA VAL 22 HA VAL 22 8.188 2.421 0.801 186 HB VAL 22 HB VAL 22 6.617 1.935 2.713 187 HG11 VAL 22 1HG1 VAL 22 5.909 0.686 0.055 188 HG12 VAL 22 2HG1 VAL 22 5.747 2.390 0.475 189 HG13 VAL 22 3HG1 VAL 22 4.751 1.183 1.287 190 HG21 VAL 22 3HG2 VAL 22 6.935 -0.838 1.699 191 HG22 VAL 22 1HG2 VAL 22 5.762 -0.358 2.942 192 HG23 VAL 22 2HG2 VAL 22 7.520 -0.239 3.249 193 H GLN 23 H GLN 23 9.730 -0.396 2.250 194 HA GLN 23 HA GLN 23 10.893 0.848 4.433 195 HB2 GLN 23 2HB GLN 23 11.906 -1.355 2.659 196 HB3 GLN 23 1HB GLN 23 12.740 -0.819 4.101 197 HG2 GLN 23 2HG GLN 23 10.746 -1.431 5.430 198 HG3 GLN 23 1HG GLN 23 9.998 -2.045 3.954 199 HE21 GLN 23 1HE2 GLN 23 12.462 -2.545 6.328 200 HE22 GLN 23 2HE2 GLN 23 12.838 -4.172 5.865 201 H GLU 24 H GLU 24 11.892 0.898 0.969 202 HA GLU 24 HA GLU 24 14.372 2.116 1.539 203 HB2 GLU 24 2HB GLU 24 14.673 2.615 -0.814 204 HB3 GLU 24 1HB GLU 24 13.993 1.017 -0.675 205 HG2 GLU 24 2HG GLU 24 12.998 2.039 -2.583 206 HG3 GLU 24 1HG GLU 24 11.765 2.024 -1.336 207 H HIS 25 H HIS 25 11.203 3.332 1.288 208 HA HIS 25 HA HIS 25 11.993 6.009 0.807 209 HB2 HIS 25 2HB HIS 25 9.644 4.857 0.511 210 HB3 HIS 25 1HB HIS 25 9.387 5.467 2.147 211 HD1 HIS 25 1HD HIS 25 10.227 8.165 2.279 212 HD2 HIS 25 2HD HIS 25 8.896 6.658 -1.328 213 HE1 HIS 25 1HE HIS 25 9.606 10.188 0.893 214 HE2 HIS 25 2HE HIS 25 9.276 9.211 -1.372 215 H SER 26 H SER 26 12.551 4.247 3.500 216 HA SER 26 HA SER 26 12.107 6.175 5.533 217 HB2 SER 26 2HB SER 26 14.234 4.015 5.432 218 HB3 SER 26 1HB SER 26 13.597 4.800 6.879 219 HG SER 26 HG SER 26 12.446 2.871 5.220 220 H SER 27 H SER 27 14.581 5.639 3.132 221 HA SER 27 HA SER 27 15.946 8.078 4.044 222 HB2 SER 27 2HB SER 27 17.331 6.069 4.472 223 HB3 SER 27 1HB SER 27 17.227 5.643 2.767 224 HG SER 27 HG SER 27 18.122 7.965 2.577 225 H SER 28 H SER 28 14.373 6.374 1.548 226 HA SER 28 HA SER 28 13.712 6.807 -0.476 227 HB2 SER 28 2HB SER 28 14.933 9.576 -0.201 228 HB3 SER 28 1HB SER 28 13.755 9.071 -1.416 229 HG SER 28 HG SER 28 13.461 9.385 1.347 230 H GLN 29 H GLN 29 14.876 5.276 -1.423 231 HA GLN 29 HA GLN 29 17.642 5.719 -2.143 232 HB2 GLN 29 2HB GLN 29 16.894 3.486 -1.365 233 HB3 GLN 29 1HB GLN 29 15.761 3.403 -2.703 234 HG2 GLN 29 2HG GLN 29 17.611 3.391 -4.285 235 HG3 GLN 29 1HG GLN 29 18.759 3.521 -2.956 236 HE21 GLN 29 1HE2 GLN 29 18.463 1.454 -4.988 237 HE22 GLN 29 2HE2 GLN 29 18.222 -0.022 -4.106 238 H GLY 30 H GLY 30 14.452 5.562 -3.499 239 HA2 GLY 30 2HA GLY 30 15.329 6.110 -6.209 240 HA3 GLY 30 1HA GLY 30 13.662 6.088 -5.633 241 H MET 31 H MET 31 16.378 7.897 -4.436 242 HA MET 31 HA MET 31 14.980 10.283 -3.976 243 HB2 MET 31 2HB MET 31 17.167 11.290 -3.466 244 HB3 MET 31 1HB MET 31 16.933 9.741 -2.675 245 HG2 MET 31 2HG MET 31 18.345 8.661 -4.341 246 HG3 MET 31 1HG MET 31 18.548 10.197 -5.176 247 HE1 MET 31 3HE MET 31 22.085 9.510 -3.600 248 HE2 MET 31 1HE MET 31 21.193 9.816 -5.090 249 HE3 MET 31 2HE MET 31 20.960 8.301 -4.218 250 H ARG 32 H ARG 32 16.235 9.134 -6.880 251 HA ARG 32 HA ARG 32 16.984 11.564 -8.155 252 HB2 ARG 32 2HB ARG 32 17.329 9.078 -8.947 253 HB3 ARG 32 1HB ARG 32 15.726 9.229 -9.625 254 HG2 ARG 32 2HG ARG 32 17.806 11.242 -10.416 255 HG3 ARG 32 1HG ARG 32 17.929 9.625 -11.070 256 HD2 ARG 32 2HD ARG 32 16.805 10.969 -12.696 257 HD3 ARG 32 1HD ARG 32 15.586 9.930 -11.982 258 HE ARG 32 HE ARG 32 15.263 12.131 -10.540 259 HH11 ARG 32 1HH1 ARG 32 15.662 11.882 -14.046 260 HH12 ARG 32 2HH1 ARG 32 14.645 13.209 -14.384 261 HH21 ARG 32 1HH2 ARG 32 13.903 13.865 -10.962 262 HH22 ARG 32 2HH2 ARG 32 13.586 14.413 -12.536 263 H ASN 33 H ASN 33 13.987 9.861 -7.639 264 HA ASN 33 HA ASN 33 11.828 10.270 -7.957 265 HB2 ASN 33 2HB ASN 33 10.978 12.273 -6.922 266 HB3 ASN 33 1HB ASN 33 12.409 11.775 -6.054 267 HD21 ASN 33 1HD2 ASN 33 14.277 13.147 -6.128 268 HD22 ASN 33 2HD2 ASN 33 14.153 14.758 -6.719 269 H ILE 34 H ILE 34 10.313 12.392 -8.752 270 HA ILE 34 HA ILE 34 11.176 12.941 -11.498 271 HB ILE 34 HB ILE 34 8.342 12.097 -10.755 272 HG12 ILE 34 2HG1 ILE 34 10.405 10.637 -12.437 273 HG13 ILE 34 1HG1 ILE 34 9.922 10.183 -10.809 274 HG21 ILE 34 1HG2 ILE 34 8.363 13.775 -12.518 275 HG22 ILE 34 2HG2 ILE 34 7.884 12.207 -13.169 276 HG23 ILE 34 3HG2 ILE 34 9.517 12.813 -13.444 277 HD11 ILE 34 3HD1 ILE 34 8.867 8.768 -12.478 278 HD12 ILE 34 1HD1 ILE 34 8.153 10.184 -13.248 279 HD13 ILE 34 2HD1 ILE 34 7.657 9.725 -11.621 280 H LYS 35 H LYS 35 8.528 13.610 -9.218 281 HA LYS 35 HA LYS 35 8.787 16.457 -9.904 282 HB2 LYS 35 2HB LYS 35 6.477 15.057 -8.540 283 HB3 LYS 35 1HB LYS 35 6.508 16.736 -9.055 284 HG2 LYS 35 2HG LYS 35 6.725 15.960 -11.408 285 HG3 LYS 35 1HG LYS 35 6.562 14.303 -10.837 286 HD2 LYS 35 2HD LYS 35 4.496 16.492 -10.530 287 HD3 LYS 35 1HD LYS 35 4.440 15.191 -11.711 288 HE2 LYS 35 2HE LYS 35 4.332 14.871 -8.702 289 HE3 LYS 35 1HE LYS 35 2.965 14.755 -9.799 290 HZ1 LYS 35 3HZ LYS 35 3.715 12.570 -9.218 291 HZ2 LYS 35 1HZ LYS 35 5.300 12.940 -9.650 292 HZ3 LYS 35 2HZ LYS 35 4.112 12.822 -10.846 293 H HIS 36 H HIS 36 8.710 14.127 -7.275 294 HA HIS 36 HA HIS 36 10.360 15.588 -5.555 295 HB2 HIS 36 2HB HIS 36 7.512 16.148 -5.327 296 HB3 HIS 36 1HB HIS 36 8.091 15.333 -3.881 297 HD1 HIS 36 1HD HIS 36 9.112 18.295 -6.017 298 HD2 HIS 36 2HD HIS 36 9.124 17.062 -2.057 299 HE1 HIS 36 1HE HIS 36 9.929 20.290 -4.692 300 HE2 HIS 36 2HE HIS 36 9.722 19.562 -2.283 301 H VAL 37 H VAL 37 10.982 14.190 -3.794 302 HA VAL 37 HA VAL 37 10.356 11.440 -4.137 303 HB VAL 37 HB VAL 37 11.637 11.055 -2.025 304 HG11 VAL 37 1HG1 VAL 37 13.816 11.882 -2.806 305 HG12 VAL 37 2HG1 VAL 37 12.985 12.892 -3.992 306 HG13 VAL 37 3HG1 VAL 37 12.862 11.134 -4.084 307 HG21 VAL 37 3HG2 VAL 37 12.761 12.936 -0.903 308 HG22 VAL 37 1HG2 VAL 37 11.006 13.073 -0.797 309 HG23 VAL 37 2HG2 VAL 37 11.898 14.068 -1.945 310 H GLY 38 H GLY 38 9.069 14.002 -2.380 311 HA2 GLY 38 2HA GLY 38 6.633 12.927 -1.931 312 HA3 GLY 38 1HA GLY 38 7.569 12.639 -0.444 313 HA PRO 39 HA PRO 39 6.297 17.143 -0.622 314 HB2 PRO 39 2HB PRO 39 3.794 17.218 0.365 315 HB3 PRO 39 1HB PRO 39 4.085 16.944 -1.364 316 HG2 PRO 39 2HG PRO 39 3.319 14.995 0.727 317 HG3 PRO 39 1HG PRO 39 2.864 15.059 -0.986 318 HD2 PRO 39 2HD PRO 39 4.835 13.410 0.088 319 HD3 PRO 39 1HD PRO 39 4.654 13.827 -1.624 320 H SER 40 H SER 40 5.778 14.570 1.659 321 HA SER 40 HA SER 40 7.122 15.716 3.781 322 HB2 SER 40 2HB SER 40 4.994 17.125 3.884 323 HB3 SER 40 1HB SER 40 4.085 15.635 4.107 324 HG SER 40 HG SER 40 5.732 17.024 5.843 325 H GLY 41 H GLY 41 6.325 14.205 5.794 326 HA2 GLY 41 2HA GLY 41 6.546 11.495 4.733 327 HA3 GLY 41 1HA GLY 41 6.780 11.979 6.411 328 H ARG 42 H ARG 42 4.252 11.893 3.948 329 HA ARG 42 HA ARG 42 2.435 10.863 5.988 330 HB2 ARG 42 2HB ARG 42 1.822 13.054 4.007 331 HB3 ARG 42 1HB ARG 42 0.589 12.205 4.927 332 HG2 ARG 42 2HG ARG 42 1.750 12.968 7.018 333 HG3 ARG 42 1HG ARG 42 2.798 13.948 5.998 334 HD2 ARG 42 2HD ARG 42 0.903 15.185 5.172 335 HD3 ARG 42 1HD ARG 42 -0.195 14.141 6.079 336 HE ARG 42 HE ARG 42 1.835 15.707 7.482 337 HH11 ARG 42 1HH1 ARG 42 -1.596 15.022 6.881 338 HH12 ARG 42 2HH1 ARG 42 -2.154 15.986 8.176 339 HH21 ARG 42 1HH2 ARG 42 0.993 17.022 9.337 340 HH22 ARG 42 2HH2 ARG 42 -0.694 17.067 9.594 341 H PHE 43 H PHE 43 1.865 8.911 5.408 342 HA PHE 43 HA PHE 43 1.488 8.300 2.548 343 HB2 PHE 43 2HB PHE 43 2.631 6.503 4.695 344 HB3 PHE 43 1HB PHE 43 2.318 6.045 3.029 345 HD1 PHE 43 1HD PHE 43 3.755 6.887 1.228 346 HD2 PHE 43 2HD PHE 43 4.553 7.794 5.309 347 HE1 PHE 43 1HE PHE 43 6.038 7.573 0.630 348 HE2 PHE 43 2HE PHE 43 6.836 8.485 4.714 349 HZ PHE 43 HZ PHE 43 7.579 8.374 2.371 350 H THR 44 H THR 44 -0.516 7.789 2.138 351 HA THR 44 HA THR 44 -2.011 6.278 4.141 352 HB THR 44 HB THR 44 -4.062 7.128 2.930 353 HG1 THR 44 1HG THR 44 -3.279 9.231 1.740 354 HG21 THR 44 3HG2 THR 44 -2.246 9.303 3.996 355 HG22 THR 44 1HG2 THR 44 -3.295 8.278 4.972 356 HG23 THR 44 2HG2 THR 44 -3.998 9.421 3.829 357 H MET 45 H MET 45 -3.367 4.535 3.125 358 HA MET 45 HA MET 45 -1.715 3.088 1.396 359 HB2 MET 45 2HB MET 45 -3.485 1.378 1.237 360 HB3 MET 45 1HB MET 45 -3.120 1.862 2.881 361 HG2 MET 45 2HG MET 45 -5.152 3.141 3.009 362 HG3 MET 45 1HG MET 45 -5.484 2.853 1.302 363 HE1 MET 45 3HE MET 45 -4.948 1.078 4.790 364 HE2 MET 45 1HE MET 45 -3.918 0.166 3.687 365 HE3 MET 45 2HE MET 45 -5.354 -0.585 4.374 366 H ASN 46 H ASN 46 -4.514 5.045 0.709 367 HA ASN 46 HA ASN 46 -4.935 4.142 -1.927 368 HB2 ASN 46 2HB ASN 46 -5.576 6.863 -0.770 369 HB3 ASN 46 1HB ASN 46 -6.289 6.154 -2.215 370 HD21 ASN 46 1HD2 ASN 46 -7.842 4.431 -1.974 371 HD22 ASN 46 2HD2 ASN 46 -8.566 4.177 -0.440 372 H MET 47 H MET 47 -2.736 6.481 -0.508 373 HA MET 47 HA MET 47 -1.982 7.579 -3.027 374 HB2 MET 47 2HB MET 47 -0.742 7.769 -0.286 375 HB3 MET 47 1HB MET 47 0.020 8.467 -1.707 376 HG2 MET 47 2HG MET 47 -2.711 9.169 -0.658 377 HG3 MET 47 1HG MET 47 -1.245 10.121 -0.433 378 HE1 MET 47 3HE MET 47 -2.458 12.272 -1.411 379 HE2 MET 47 1HE MET 47 -3.937 11.335 -1.623 380 HE3 MET 47 2HE MET 47 -3.306 12.298 -2.958 381 H LEU 48 H LEU 48 -0.755 5.082 -0.883 382 HA LEU 48 HA LEU 48 1.646 4.540 -2.205 383 HB2 LEU 48 2HB LEU 48 -0.168 2.560 -0.828 384 HB3 LEU 48 1HB LEU 48 1.514 2.290 -1.224 385 HG LEU 48 HG LEU 48 0.439 4.275 0.775 386 HD11 LEU 48 1HD1 LEU 48 2.039 1.754 1.129 387 HD12 LEU 48 2HD1 LEU 48 0.344 1.991 1.555 388 HD13 LEU 48 3HD1 LEU 48 1.604 2.890 2.404 389 HD21 LEU 48 3HD2 LEU 48 2.392 5.212 -0.300 390 HD22 LEU 48 1HD2 LEU 48 3.289 3.709 -0.048 391 HD23 LEU 48 2HD2 LEU 48 2.801 4.689 1.333 392 H VAL 49 H VAL 49 -1.662 3.424 -2.937 393 HA VAL 49 HA VAL 49 -1.108 1.619 -4.918 394 HB VAL 49 HB VAL 49 -3.403 3.431 -4.255 395 HG11 VAL 49 1HG1 VAL 49 -3.149 1.183 -6.151 396 HG12 VAL 49 2HG1 VAL 49 -3.550 2.886 -6.473 397 HG13 VAL 49 3HG1 VAL 49 -4.706 1.847 -5.594 398 HG21 VAL 49 3HG2 VAL 49 -2.827 0.554 -3.670 399 HG22 VAL 49 1HG2 VAL 49 -4.349 1.389 -3.313 400 HG23 VAL 49 2HG2 VAL 49 -2.846 1.917 -2.546 401 H ASP 50 H ASP 50 -1.804 5.024 -4.840 402 HA ASP 50 HA ASP 50 -1.996 5.501 -7.606 403 HB2 ASP 50 2HB ASP 50 -2.567 7.041 -5.572 404 HB3 ASP 50 1HB ASP 50 -0.900 7.581 -5.738 405 H ILE 51 H ILE 51 0.750 5.720 -5.402 406 HA ILE 51 HA ILE 51 2.723 6.378 -7.327 407 HB ILE 51 HB ILE 51 2.973 5.001 -4.623 408 HG12 ILE 51 2HG1 ILE 51 4.288 6.999 -4.016 409 HG13 ILE 51 1HG1 ILE 51 3.942 7.703 -5.579 410 HG21 ILE 51 1HG2 ILE 51 5.175 5.727 -6.488 411 HG22 ILE 51 2HG2 ILE 51 4.726 4.087 -6.010 412 HG23 ILE 51 3HG2 ILE 51 5.426 5.205 -4.821 413 HD11 ILE 51 3HD1 ILE 51 1.560 7.735 -4.968 414 HD12 ILE 51 1HD1 ILE 51 2.562 8.694 -3.880 415 HD13 ILE 51 2HD1 ILE 51 1.990 7.103 -3.379 416 H PHE 52 H PHE 52 1.656 3.285 -6.011 417 HA PHE 52 HA PHE 52 3.397 1.529 -7.240 418 HB2 PHE 52 2HB PHE 52 1.772 1.032 -5.397 419 HB3 PHE 52 1HB PHE 52 0.481 1.056 -6.580 420 HD1 PHE 52 1HD PHE 52 3.827 -0.581 -6.309 421 HD2 PHE 52 2HD PHE 52 -0.341 -1.057 -7.032 422 HE1 PHE 52 1HE PHE 52 4.156 -2.997 -6.599 423 HE2 PHE 52 2HE PHE 52 -0.014 -3.460 -7.335 424 HZ PHE 52 HZ PHE 52 2.232 -4.442 -7.115 425 H LEU 53 H LEU 53 0.323 2.801 -8.469 426 HA LEU 53 HA LEU 53 0.598 1.352 -10.946 427 HB2 LEU 53 2HB LEU 53 -1.480 3.097 -9.768 428 HB3 LEU 53 1HB LEU 53 -1.407 3.041 -11.513 429 HG LEU 53 HG LEU 53 -1.785 0.613 -11.461 430 HD11 LEU 53 1HD1 LEU 53 -1.981 0.927 -8.481 431 HD12 LEU 53 2HD1 LEU 53 -0.833 -0.078 -9.425 432 HD13 LEU 53 3HD1 LEU 53 -2.555 -0.440 -9.439 433 HD21 LEU 53 3HD2 LEU 53 -4.046 0.617 -10.648 434 HD22 LEU 53 1HD2 LEU 53 -3.701 2.035 -11.654 435 HD23 LEU 53 2HD2 LEU 53 -3.773 2.189 -9.889 436 H GLY 54 H GLY 54 1.784 4.314 -9.813 437 HA2 GLY 54 2HA GLY 54 3.165 5.800 -10.949 438 HA3 GLY 54 1HA GLY 54 2.799 4.952 -12.447 439 H SER 55 H SER 55 0.563 6.325 -10.145 440 HA SER 55 HA SER 55 -0.687 7.716 -12.307 441 HB2 SER 55 2HB SER 55 -1.511 7.200 -9.469 442 HB3 SER 55 1HB SER 55 -2.511 8.081 -10.630 443 HG SER 55 HG SER 55 -1.788 5.387 -10.516 444 H LYS 56 H LYS 56 -1.851 9.894 -10.952 445 HA LYS 56 HA LYS 56 0.570 11.516 -10.856 446 HB2 LYS 56 2HB LYS 56 -1.905 11.850 -12.422 447 HB3 LYS 56 1HB LYS 56 -1.221 13.319 -11.754 448 HG2 LYS 56 2HG LYS 56 -0.489 12.831 -14.093 449 HG3 LYS 56 1HG LYS 56 0.830 13.015 -12.952 450 HD2 LYS 56 2HD LYS 56 1.321 11.187 -14.476 451 HD3 LYS 56 1HD LYS 56 1.054 10.538 -12.866 452 HE2 LYS 56 2HE LYS 56 -1.231 9.885 -13.531 453 HE3 LYS 56 1HE LYS 56 -0.933 10.525 -15.147 454 HZ1 LYS 56 3HZ LYS 56 0.598 8.274 -13.893 455 HZ2 LYS 56 1HZ LYS 56 0.831 8.882 -15.441 456 HZ3 LYS 56 2HZ LYS 56 -0.602 8.091 -15.042 457 H SER 57 H SER 57 -1.895 10.555 -8.844 458 HA SER 57 HA SER 57 -2.205 13.041 -7.447 459 HB2 SER 57 2HB SER 57 -2.698 10.268 -6.349 460 HB3 SER 57 1HB SER 57 -3.558 11.760 -5.964 461 HG SER 57 HG SER 57 -3.979 9.929 -7.876 462 H ALA 58 H ALA 58 -0.262 10.216 -7.570 463 HA ALA 58 HA ALA 58 1.242 10.110 -5.367 464 HB1 ALA 58 1HB ALA 58 1.267 8.566 -7.245 465 HB2 ALA 58 2HB ALA 58 2.888 9.077 -6.771 466 HB3 ALA 58 3HB ALA 58 2.127 9.763 -8.211 467 H LYS 59 H LYS 59 2.033 11.839 -4.396 468 HA LYS 59 HA LYS 59 3.720 13.736 -5.864 469 HB2 LYS 59 2HB LYS 59 2.821 13.709 -2.971 470 HB3 LYS 59 1HB LYS 59 3.772 14.975 -3.714 471 HG2 LYS 59 2HG LYS 59 0.927 14.278 -4.486 472 HG3 LYS 59 1HG LYS 59 1.371 15.554 -3.363 473 HD2 LYS 59 2HD LYS 59 1.120 16.795 -5.284 474 HD3 LYS 59 1HD LYS 59 2.822 16.382 -5.429 475 HE2 LYS 59 2HE LYS 59 1.763 16.060 -7.567 476 HE3 LYS 59 1HE LYS 59 2.158 14.475 -6.916 477 HZ1 LYS 59 3HZ LYS 59 -0.542 15.738 -6.826 478 HZ2 LYS 59 1HZ LYS 59 -0.136 14.216 -6.221 479 HZ3 LYS 59 2HZ LYS 59 -0.073 14.490 -7.869 480 H ILE 60 H ILE 60 3.868 10.845 -4.324 481 HA ILE 60 HA ILE 60 6.536 11.056 -3.164 482 HB ILE 60 HB ILE 60 4.507 8.827 -3.339 483 HG12 ILE 60 2HG1 ILE 60 3.887 10.661 -1.767 484 HG13 ILE 60 1HG1 ILE 60 4.079 9.099 -0.982 485 HG21 ILE 60 1HG2 ILE 60 6.688 7.839 -3.321 486 HG22 ILE 60 2HG2 ILE 60 5.894 7.545 -1.774 487 HG23 ILE 60 3HG2 ILE 60 7.146 8.780 -1.902 488 HD11 ILE 60 3HD1 ILE 60 5.033 10.863 0.367 489 HD12 ILE 60 1HD1 ILE 60 6.060 11.347 -0.987 490 HD13 ILE 60 2HD1 ILE 60 6.300 9.779 -0.236 491 H GLN 61 H GLN 61 8.080 10.917 -4.822 492 HA GLN 61 HA GLN 61 7.783 8.551 -6.503 493 HB2 GLN 61 2HB GLN 61 8.979 11.204 -7.271 494 HB3 GLN 61 1HB GLN 61 9.475 9.730 -8.073 495 HG2 GLN 61 2HG GLN 61 7.888 10.634 -9.493 496 HG3 GLN 61 1HG GLN 61 7.002 9.411 -8.610 497 HE21 GLN 61 1HE2 GLN 61 5.299 10.033 -7.316 498 HE22 GLN 61 2HE2 GLN 61 4.713 11.637 -7.231 499 H SER 62 H SER 62 8.855 7.156 -5.254 500 HA SER 62 HA SER 62 11.720 7.481 -5.402 501 HB2 SER 62 2HB SER 62 10.387 6.665 -2.794 502 HB3 SER 62 1HB SER 62 12.115 6.876 -3.076 503 HG SER 62 HG SER 62 11.136 9.078 -3.843 504 H GLY 63 H GLY 63 9.766 5.072 -3.618 505 HA2 GLY 63 2HA GLY 63 10.822 3.059 -5.427 506 HA3 GLY 63 1HA GLY 63 10.130 2.786 -3.832 507 H ILE 64 H ILE 64 9.420 1.266 -5.950 508 HA ILE 64 HA ILE 64 7.807 0.427 -7.260 509 HB ILE 64 HB ILE 64 5.487 0.405 -6.344 510 HG12 ILE 64 2HG1 ILE 64 6.808 1.586 -3.887 511 HG13 ILE 64 1HG1 ILE 64 5.561 2.355 -4.858 512 HG21 ILE 64 1HG2 ILE 64 6.810 -1.464 -6.224 513 HG22 ILE 64 2HG2 ILE 64 5.998 -1.281 -4.665 514 HG23 ILE 64 3HG2 ILE 64 7.700 -0.835 -4.839 515 HD11 ILE 64 3HD1 ILE 64 5.242 -0.161 -3.243 516 HD12 ILE 64 1HD1 ILE 64 3.982 0.615 -4.200 517 HD13 ILE 64 2HD1 ILE 64 4.654 1.444 -2.793 518 H PHE 65 H PHE 65 8.061 3.490 -7.645 519 HA PHE 65 HA PHE 65 5.530 4.319 -8.506 520 HB2 PHE 65 2HB PHE 65 7.598 5.785 -8.084 521 HB3 PHE 65 1HB PHE 65 8.067 5.373 -9.738 522 HD1 PHE 65 2HD PHE 65 5.628 7.032 -7.655 523 HD2 PHE 65 1HD PHE 65 6.847 6.269 -11.634 524 HE1 PHE 65 2HE PHE 65 4.092 8.657 -8.361 525 HE2 PHE 65 1HE PHE 65 5.263 7.992 -12.440 526 HZ PHE 65 HZ PHE 65 3.859 9.209 -10.811 527 H GLY 66 H GLY 66 4.407 3.226 -9.890 528 HA2 GLY 66 2HA GLY 66 3.692 2.480 -11.959 529 HA3 GLY 66 1HA GLY 66 5.201 3.073 -12.643 530 H LYS 67 H LYS 67 5.202 0.838 -9.955 531 HA LYS 67 HA LYS 67 6.368 -1.230 -11.654 532 HB2 LYS 67 2HB LYS 67 6.301 -0.639 -8.734 533 HB3 LYS 67 1HB LYS 67 6.557 -2.288 -9.252 534 HG2 LYS 67 2HG LYS 67 8.626 -1.010 -8.691 535 HG3 LYS 67 1HG LYS 67 8.604 -1.747 -10.290 536 HD2 LYS 67 2HD LYS 67 7.845 1.138 -9.974 537 HD3 LYS 67 1HD LYS 67 9.550 0.693 -9.915 538 HE2 LYS 67 2HE LYS 67 9.388 -0.309 -12.143 539 HE3 LYS 67 1HE LYS 67 7.664 0.025 -12.197 540 HZ1 LYS 67 3HZ LYS 67 8.177 2.382 -12.049 541 HZ2 LYS 67 1HZ LYS 67 8.802 1.662 -13.443 542 HZ3 LYS 67 2HZ LYS 67 9.829 2.052 -12.142 543 H GLY 68 H GLY 68 3.376 -0.474 -10.204 544 HA2 GLY 68 2HA GLY 68 2.511 -3.230 -10.754 545 HA3 GLY 68 1HA GLY 68 1.951 -2.335 -9.347 546 H SER 69 H SER 69 2.457 -1.134 -12.590 547 HA SER 69 HA SER 69 -0.001 0.258 -12.658 548 HB2 SER 69 2HB SER 69 1.916 -0.360 -14.900 549 HB3 SER 69 1HB SER 69 0.738 0.956 -14.841 550 HG SER 69 HG SER 69 1.895 1.984 -13.381 551 H ALA 70 H ALA 70 0.477 -2.949 -12.950 552 HA ALA 70 HA ALA 70 -1.508 -3.279 -15.037 553 HB1 ALA 70 1HB ALA 70 0.523 -4.659 -15.259 554 HB2 ALA 70 2HB ALA 70 -0.912 -5.665 -15.052 555 HB3 ALA 70 3HB ALA 70 0.182 -5.399 -13.696 556 H TYR 71 H TYR 71 -1.522 -2.670 -11.976 557 HA TYR 71 HA TYR 71 -3.673 -4.510 -11.219 558 HB2 TYR 71 2HB TYR 71 -2.148 -2.384 -9.736 559 HB3 TYR 71 1HB TYR 71 -3.600 -3.099 -9.080 560 HD1 TYR 71 1HD TYR 71 -0.374 -4.296 -10.598 561 HD2 TYR 71 2HD TYR 71 -3.264 -4.736 -7.504 562 HE1 TYR 71 1HE TYR 71 0.989 -6.076 -9.590 563 HE2 TYR 71 2HE TYR 71 -1.910 -6.529 -6.493 564 HH TYR 71 HH TYR 71 1.300 -7.112 -7.384 565 H SER 72 H SER 72 -5.784 -3.755 -10.925 566 HA SER 72 HA SER 72 -6.369 -1.199 -12.033 567 HB2 SER 72 2HB SER 72 -8.050 -2.983 -12.277 568 HB3 SER 72 1HB SER 72 -8.083 -3.228 -10.537 569 HG SER 72 HG SER 72 -9.821 -2.089 -11.113 570 H ARG 73 H ARG 73 -7.188 0.494 -10.811 571 HA ARG 73 HA ARG 73 -5.476 1.373 -8.816 572 HB2 ARG 73 2HB ARG 73 -7.413 2.500 -10.329 573 HB3 ARG 73 1HB ARG 73 -8.239 2.458 -8.787 574 HG2 ARG 73 2HG ARG 73 -5.563 3.768 -9.260 575 HG3 ARG 73 1HG ARG 73 -7.104 4.604 -9.306 576 HD2 ARG 73 2HD ARG 73 -7.460 4.062 -6.941 577 HD3 ARG 73 1HD ARG 73 -5.921 3.194 -6.911 578 HE ARG 73 HE ARG 73 -5.153 5.574 -7.805 579 HH11 ARG 73 1HH1 ARG 73 -7.204 4.801 -4.951 580 HH12 ARG 73 2HH1 ARG 73 -6.759 6.184 -4.140 581 HH21 ARG 73 1HH2 ARG 73 -4.559 7.492 -6.640 582 HH22 ARG 73 2HH2 ARG 73 -5.197 7.757 -5.093 583 H HIS 74 H HIS 74 -8.628 -0.102 -8.512 584 HA HIS 74 HA HIS 74 -8.551 0.306 -5.661 585 HB2 HIS 74 2HB HIS 74 -10.648 0.586 -7.122 586 HB3 HIS 74 1HB HIS 74 -10.751 -1.173 -7.075 587 HD1 HIS 74 1HD HIS 74 -11.638 -2.222 -4.990 588 HD2 HIS 74 2HD HIS 74 -10.980 1.847 -4.576 589 HE1 HIS 74 1HE HIS 74 -12.676 -1.593 -2.775 590 HE2 HIS 74 2HE HIS 74 -11.944 0.806 -2.443 591 H ASN 75 H ASN 75 -7.492 -2.134 -7.767 592 HA ASN 75 HA ASN 75 -8.020 -4.415 -6.065 593 HB2 ASN 75 2HB ASN 75 -5.707 -4.219 -8.026 594 HB3 ASN 75 1HB ASN 75 -6.405 -5.681 -7.371 595 HD21 ASN 75 1HD2 ASN 75 -9.096 -4.323 -7.867 596 HD22 ASN 75 2HD2 ASN 75 -9.385 -4.551 -9.527 597 H ALA 76 H ALA 76 -5.371 -2.277 -6.712 598 HA ALA 76 HA ALA 76 -3.577 -3.375 -4.856 599 HB1 ALA 76 1HB ALA 76 -3.786 -0.603 -5.992 600 HB2 ALA 76 2HB ALA 76 -2.860 -1.932 -6.677 601 HB3 ALA 76 3HB ALA 76 -2.374 -1.218 -5.129 602 H GLU 77 H GLU 77 -5.955 -0.750 -4.643 603 HA GLU 77 HA GLU 77 -5.497 -0.022 -1.956 604 HB2 GLU 77 2HB GLU 77 -8.135 0.014 -3.457 605 HB3 GLU 77 1HB GLU 77 -7.802 0.883 -1.968 606 HG2 GLU 77 2HG GLU 77 -6.148 2.241 -3.088 607 HG3 GLU 77 1HG GLU 77 -6.378 1.319 -4.576 608 H ARG 78 H ARG 78 -7.325 -2.655 -3.349 609 HA ARG 78 HA ARG 78 -8.730 -3.387 -0.970 610 HB2 ARG 78 2HB ARG 78 -9.584 -3.902 -3.238 611 HB3 ARG 78 1HB ARG 78 -8.215 -4.963 -3.509 612 HG2 ARG 78 2HG ARG 78 -8.992 -6.448 -1.745 613 HG3 ARG 78 1HG ARG 78 -10.340 -5.363 -1.410 614 HD2 ARG 78 2HD ARG 78 -11.129 -7.190 -2.758 615 HD3 ARG 78 1HD ARG 78 -11.146 -5.722 -3.723 616 HE ARG 78 HE ARG 78 -8.735 -7.201 -4.072 617 HH11 ARG 78 1HH1 ARG 78 -12.088 -6.893 -5.130 618 HH12 ARG 78 2HH1 ARG 78 -11.891 -7.779 -6.563 619 HH21 ARG 78 1HH2 ARG 78 -8.454 -8.468 -6.171 620 HH22 ARG 78 2HH2 ARG 78 -9.826 -8.609 -7.157 621 H LEU 79 H LEU 79 -5.650 -3.982 -2.311 622 HA LEU 79 HA LEU 79 -5.160 -6.386 -0.861 623 HB2 LEU 79 2HB LEU 79 -4.180 -5.669 -3.044 624 HB3 LEU 79 1HB LEU 79 -3.180 -4.568 -2.117 625 HG LEU 79 HG LEU 79 -3.225 -7.489 -1.560 626 HD11 LEU 79 1HD1 LEU 79 -2.758 -7.186 -3.779 627 HD12 LEU 79 2HD1 LEU 79 -1.141 -7.352 -2.897 628 HD13 LEU 79 3HD1 LEU 79 -1.826 -5.733 -3.357 629 HD21 LEU 79 3HD2 LEU 79 -2.135 -6.043 0.080 630 HD22 LEU 79 1HD2 LEU 79 -1.068 -5.426 -1.184 631 HD23 LEU 79 2HD2 LEU 79 -1.013 -7.139 -0.729 632 H PHE 80 H PHE 80 -4.161 -2.985 -0.631 633 HA PHE 80 HA PHE 80 -2.703 -3.371 1.746 634 HB2 PHE 80 2HB PHE 80 -4.053 -0.897 0.651 635 HB3 PHE 80 1HB PHE 80 -3.105 -0.893 2.131 636 HD1 PHE 80 2HD PHE 80 -0.680 -1.584 2.001 637 HD2 PHE 80 1HD PHE 80 -3.017 -0.681 -1.430 638 HE1 PHE 80 2HE PHE 80 1.374 -1.220 0.704 639 HE2 PHE 80 1HE PHE 80 -0.967 -0.318 -2.737 640 HZ PHE 80 HZ PHE 80 1.228 -0.585 -1.677 641 H LYS 81 H LYS 81 -5.920 -3.322 1.026 642 HA LYS 81 HA LYS 81 -6.740 -2.888 3.779 643 HB2 LYS 81 2HB LYS 81 -8.252 -3.199 1.250 644 HB3 LYS 81 1HB LYS 81 -9.075 -3.701 2.723 645 HG2 LYS 81 2HG LYS 81 -7.758 -1.010 2.501 646 HG3 LYS 81 1HG LYS 81 -9.408 -1.289 1.939 647 HD2 LYS 81 2HD LYS 81 -10.087 -2.010 4.159 648 HD3 LYS 81 1HD LYS 81 -8.432 -1.916 4.740 649 HE2 LYS 81 2HE LYS 81 -9.946 0.484 3.709 650 HE3 LYS 81 1HE LYS 81 -9.991 -0.014 5.396 651 HZ1 LYS 81 3HZ LYS 81 -8.281 1.717 5.011 652 HZ2 LYS 81 1HZ LYS 81 -7.478 0.709 3.937 653 HZ3 LYS 81 2HZ LYS 81 -7.645 0.359 5.586 654 H LYS 82 H LYS 82 -6.087 -5.533 1.692 655 HA LYS 82 HA LYS 82 -7.191 -7.576 3.335 656 HB2 LYS 82 2HB LYS 82 -6.801 -8.107 1.044 657 HB3 LYS 82 1HB LYS 82 -5.186 -7.434 1.087 658 HG2 LYS 82 2HG LYS 82 -5.192 -9.866 0.878 659 HG3 LYS 82 1HG LYS 82 -4.389 -9.321 2.344 660 HD2 LYS 82 2HD LYS 82 -6.366 -9.897 3.649 661 HD3 LYS 82 1HD LYS 82 -7.203 -10.398 2.172 662 HE2 LYS 82 2HE LYS 82 -5.630 -12.148 1.789 663 HE3 LYS 82 1HE LYS 82 -4.590 -11.550 3.077 664 HZ1 LYS 82 3HZ LYS 82 -5.996 -12.288 4.680 665 HZ2 LYS 82 1HZ LYS 82 -5.975 -13.538 3.532 666 HZ3 LYS 82 2HZ LYS 82 -7.326 -12.521 3.605 667 H LEU 83 H LEU 83 -4.081 -6.080 2.875 668 HA LEU 83 HA LEU 83 -2.632 -7.490 4.754 669 HB2 LEU 83 2HB LEU 83 -2.288 -4.713 3.795 670 HB3 LEU 83 1HB LEU 83 -1.126 -5.639 4.743 671 HG LEU 83 HG LEU 83 -2.208 -6.515 2.119 672 HD11 LEU 83 1HD1 LEU 83 -0.954 -4.499 1.951 673 HD12 LEU 83 2HD1 LEU 83 -0.127 -5.864 1.188 674 HD13 LEU 83 3HD1 LEU 83 0.406 -5.267 2.804 675 HD21 LEU 83 3HD2 LEU 83 0.060 -7.537 3.810 676 HD22 LEU 83 1HD2 LEU 83 -0.280 -8.055 2.161 677 HD23 LEU 83 2HD2 LEU 83 -1.450 -8.376 3.431 678 H ILE 84 H ILE 84 -4.734 -4.631 5.221 679 HA ILE 84 HA ILE 84 -3.804 -4.356 7.890 680 HB ILE 84 HB ILE 84 -5.549 -2.708 8.276 681 HG12 ILE 84 2HG1 ILE 84 -6.798 -1.895 6.092 682 HG13 ILE 84 1HG1 ILE 84 -6.586 -3.580 5.619 683 HG21 ILE 84 1HG2 ILE 84 -3.946 -2.351 5.801 684 HG22 ILE 84 2HG2 ILE 84 -3.580 -1.830 7.459 685 HG23 ILE 84 3HG2 ILE 84 -4.876 -1.060 6.541 686 HD11 ILE 84 3HD1 ILE 84 -7.823 -4.292 7.604 687 HD12 ILE 84 1HD1 ILE 84 -8.784 -3.213 6.590 688 HD13 ILE 84 2HD1 ILE 84 -8.042 -2.605 8.069 689 H LEU 85 H LEU 85 -6.280 -6.206 6.387 690 HA LEU 85 HA LEU 85 -7.676 -6.731 8.733 691 HB2 LEU 85 2HB LEU 85 -7.511 -8.136 6.108 692 HB3 LEU 85 1HB LEU 85 -8.467 -8.792 7.427 693 HG LEU 85 HG LEU 85 -8.758 -6.003 6.534 694 HD11 LEU 85 1HD1 LEU 85 -10.281 -8.465 5.538 695 HD12 LEU 85 2HD1 LEU 85 -9.200 -7.473 4.558 696 HD13 LEU 85 3HD1 LEU 85 -10.724 -6.805 5.141 697 HD21 LEU 85 3HD2 LEU 85 -10.588 -7.889 8.004 698 HD22 LEU 85 1HD2 LEU 85 -11.032 -6.260 7.496 699 HD23 LEU 85 2HD2 LEU 85 -9.736 -6.493 8.662 700 H ASP 86 H ASP 86 -5.213 -8.488 6.920 701 HA ASP 86 HA ASP 86 -4.919 -10.608 8.789 702 HB2 ASP 86 2HB ASP 86 -3.262 -9.768 6.401 703 HB3 ASP 86 1HB ASP 86 -2.869 -11.174 7.383 704 H LYS 87 H LYS 87 -3.574 -7.454 8.564 705 HA LYS 87 HA LYS 87 -2.910 -6.224 10.359 706 HB2 LYS 87 2HB LYS 87 -3.643 -8.324 11.785 707 HB3 LYS 87 1HB LYS 87 -1.883 -8.472 11.910 708 HG2 LYS 87 2HG LYS 87 -2.183 -7.201 13.628 709 HG3 LYS 87 1HG LYS 87 -2.032 -5.929 12.443 710 HD2 LYS 87 2HD LYS 87 -4.649 -7.001 13.531 711 HD3 LYS 87 1HD LYS 87 -3.875 -5.509 14.044 712 HE2 LYS 87 2HE LYS 87 -4.953 -6.135 11.302 713 HE3 LYS 87 1HE LYS 87 -5.675 -5.058 12.491 714 HZ1 LYS 87 3HZ LYS 87 -4.513 -3.729 10.910 715 HZ2 LYS 87 1HZ LYS 87 -3.100 -4.626 11.046 716 HZ3 LYS 87 2HZ LYS 87 -3.551 -3.717 12.321 717 H ILE 88 H ILE 88 -1.396 -7.835 8.243 718 HA ILE 88 HA ILE 88 1.325 -7.504 8.914 719 HB ILE 88 HB ILE 88 -0.239 -7.585 6.361 720 HG12 ILE 88 2HG1 ILE 88 1.247 -9.613 5.886 721 HG13 ILE 88 1HG1 ILE 88 1.857 -9.411 7.521 722 HG21 ILE 88 1HG2 ILE 88 2.756 -7.139 6.504 723 HG22 ILE 88 2HG2 ILE 88 1.566 -6.000 5.881 724 HG23 ILE 88 3HG2 ILE 88 1.879 -7.512 5.022 725 HD11 ILE 88 3HD1 ILE 88 0.178 -11.150 7.390 726 HD12 ILE 88 1HD1 ILE 88 -0.988 -9.986 6.765 727 HD13 ILE 88 2HD1 ILE 88 -0.366 -9.813 8.405 728 H LEU 89 H LEU 89 -1.139 -5.489 7.493 729 HA LEU 89 HA LEU 89 0.510 -3.114 7.874 730 HB2 LEU 89 2HB LEU 89 -1.670 -3.863 6.049 731 HB3 LEU 89 1HB LEU 89 -1.757 -2.241 6.689 732 HG LEU 89 HG LEU 89 -0.664 -2.374 4.478 733 HD11 LEU 89 1HD1 LEU 89 1.121 -1.495 6.727 734 HD12 LEU 89 2HD1 LEU 89 -0.274 -0.621 6.147 735 HD13 LEU 89 3HD1 LEU 89 1.119 -0.865 5.068 736 HD21 LEU 89 3HD2 LEU 89 0.429 -4.549 4.892 737 HD22 LEU 89 1HD2 LEU 89 1.522 -3.761 6.008 738 HD23 LEU 89 2HD2 LEU 89 1.562 -3.326 4.286 739 H ASP 90 H ASP 90 -0.244 -1.390 9.067 740 HA ASP 90 HA ASP 90 -2.707 -1.766 10.538 741 HB2 ASP 90 2HB ASP 90 0.021 -1.222 11.727 742 HB3 ASP 90 1HB ASP 90 -1.422 -0.604 12.520 743 H GLU 91 H GLU 91 -3.934 -0.059 10.461 744 HA GLU 91 HA GLU 91 -2.850 2.328 9.218 745 HB2 GLU 91 2HB GLU 91 -5.704 1.474 9.707 746 HB3 GLU 91 1HB GLU 91 -5.253 3.025 9.010 747 HG2 GLU 91 2HG GLU 91 -4.174 1.896 7.156 748 HG3 GLU 91 1HG GLU 91 -4.563 0.341 7.881 749 H ASP 92 H ASP 92 -2.788 4.223 10.079 750 HA ASP 92 HA ASP 92 -3.132 4.452 12.982 751 HB2 ASP 92 2HB ASP 92 -0.915 5.013 12.244 752 HB3 ASP 92 1HB ASP 92 -1.542 6.046 10.963 753 H LEU 93 H LEU 93 -4.286 6.180 13.827 754 HA LEU 93 HA LEU 93 -6.159 7.292 11.885 755 HB2 LEU 93 2HB LEU 93 -6.621 6.935 14.839 756 HB3 LEU 93 1HB LEU 93 -7.693 7.663 13.644 757 HG LEU 93 HG LEU 93 -6.847 4.757 13.654 758 HD11 LEU 93 1HD1 LEU 93 -9.459 6.008 14.476 759 HD12 LEU 93 2HD1 LEU 93 -8.286 5.243 15.548 760 HD13 LEU 93 3HD1 LEU 93 -9.141 4.280 14.343 761 HD21 LEU 93 3HD2 LEU 93 -8.619 4.491 11.966 762 HD22 LEU 93 1HD2 LEU 93 -7.349 5.580 11.411 763 HD23 LEU 93 2HD2 LEU 93 -8.884 6.234 11.980 764 H TYR 94 H TYR 94 -5.371 9.065 11.300 765 HA TYR 94 HA TYR 94 -4.230 10.897 13.260 766 HB2 TYR 94 2HB TYR 94 -2.689 10.553 11.484 767 HB3 TYR 94 1HB TYR 94 -3.954 10.648 10.265 768 HD1 TYR 94 1HD TYR 94 -1.808 12.620 12.525 769 HD2 TYR 94 2HD TYR 94 -4.738 12.774 9.451 770 HE1 TYR 94 1HE TYR 94 -1.317 15.020 12.173 771 HE2 TYR 94 2HE TYR 94 -4.264 15.154 9.092 772 HH TYR 94 HH TYR 94 -3.340 17.046 10.453 773 H ILE 95 H ILE 95 -5.785 12.162 14.043 774 HA ILE 95 HA ILE 95 -7.261 13.557 12.043 775 HB ILE 95 HB ILE 95 -8.689 11.767 13.184 776 HG12 ILE 95 2HG1 ILE 95 -10.024 14.264 13.826 777 HG13 ILE 95 1HG1 ILE 95 -9.340 14.209 12.202 778 HG21 ILE 95 1HG2 ILE 95 -9.628 12.333 15.332 779 HG22 ILE 95 2HG2 ILE 95 -8.609 13.761 15.397 780 HG23 ILE 95 3HG2 ILE 95 -7.860 12.134 15.467 781 HD11 ILE 95 3HD1 ILE 95 -11.621 13.401 12.190 782 HD12 ILE 95 1HD1 ILE 95 -11.180 12.173 13.404 783 HD13 ILE 95 2HD1 ILE 95 -10.444 12.142 11.790 784 H ASN 96 H ASN 96 -7.649 15.684 12.344 785 HA ASN 96 HA ASN 96 -6.087 16.837 14.512 786 HB2 ASN 96 2HB ASN 96 -6.350 18.999 13.107 787 HB3 ASN 96 1HB ASN 96 -5.279 17.754 12.483 788 HD21 ASN 96 1HD2 ASN 96 -8.202 19.593 11.891 789 HD22 ASN 96 2HD2 ASN 96 -8.486 18.857 10.360 790 H ALA 97 H ALA 97 -7.091 19.085 15.189 791 HA ALA 97 HA ALA 97 -9.342 18.351 16.748 792 HB1 ALA 97 1HB ALA 97 -9.138 20.560 17.716 793 HB2 ALA 97 2HB ALA 97 -8.092 21.068 16.391 794 HB3 ALA 97 3HB ALA 97 -7.546 19.826 17.517 795 H ASN 98 H ASN 98 -9.884 18.505 13.866 796 HA ASN 98 HA ASN 98 -12.194 20.336 13.929 797 HB2 ASN 98 2HB ASN 98 -10.591 19.447 11.499 798 HB3 ASN 98 1HB ASN 98 -12.064 20.413 11.449 799 HD21 ASN 98 1HD2 ASN 98 -11.910 22.544 11.960 800 HD22 ASN 98 2HD2 ASN 98 -10.363 23.311 12.135 801 H ASP 99 H ASP 99 -11.189 17.216 14.197 802 HA ASP 99 HA ASP 99 -11.900 15.149 13.760 803 HB2 ASP 99 2HB ASP 99 -14.532 16.610 14.013 804 HB3 ASP 99 1HB ASP 99 -14.473 14.863 13.777 805 H GLN 100 H GLN 100 -11.090 16.546 11.644 806 HA GLN 100 HA GLN 100 -12.601 15.385 9.363 807 HB2 GLN 100 2HB GLN 100 -11.104 17.938 9.457 808 HB3 GLN 100 1HB GLN 100 -11.828 17.225 8.013 809 HG2 GLN 100 2HG GLN 100 -14.072 17.548 8.980 810 HG3 GLN 100 1HG GLN 100 -13.352 18.229 10.438 811 HE21 GLN 100 1HE2 GLN 100 -12.162 18.913 7.219 812 HE22 GLN 100 2HE2 GLN 100 -12.671 20.570 7.203 813 H ALA 101 H ALA 101 -11.154 13.674 9.372 814 HA ALA 101 HA ALA 101 -8.715 14.149 8.078 815 HB1 ALA 101 1HB ALA 101 -7.164 13.432 9.671 816 HB2 ALA 101 2HB ALA 101 -8.497 13.001 10.745 817 HB3 ALA 101 3HB ALA 101 -8.166 14.718 10.390 818 H ILE 102 H ILE 102 -7.264 11.818 8.542 819 HA ILE 102 HA ILE 102 -9.107 9.791 7.636 820 HB ILE 102 HB ILE 102 -8.581 11.136 5.604 821 HG12 ILE 102 2HG1 ILE 102 -7.797 9.315 4.095 822 HG13 ILE 102 1HG1 ILE 102 -7.402 8.350 5.511 823 HG21 ILE 102 1HG2 ILE 102 -6.382 11.092 4.606 824 HG22 ILE 102 2HG2 ILE 102 -5.753 10.293 6.049 825 HG23 ILE 102 3HG2 ILE 102 -6.401 11.939 6.159 826 HD11 ILE 102 3HD1 ILE 102 -9.525 7.704 4.533 827 HD12 ILE 102 1HD1 ILE 102 -10.117 9.354 4.752 828 HD13 ILE 102 2HD1 ILE 102 -9.739 8.357 6.165 829 H ALA 103 H ALA 103 -7.844 7.691 7.174 830 HA ALA 103 HA ALA 103 -5.986 7.233 9.327 831 HB1 ALA 103 1HB ALA 103 -7.824 5.657 8.913 832 HB2 ALA 103 2HB ALA 103 -6.251 4.879 8.751 833 HB3 ALA 103 3HB ALA 103 -7.167 5.320 7.310 834 H TYR 104 H TYR 104 -3.909 6.617 9.102 835 HA TYR 104 HA TYR 104 -2.711 6.927 6.434 836 HB2 TYR 104 2HB TYR 104 -1.578 7.634 9.157 837 HB3 TYR 104 1HB TYR 104 -0.591 7.476 7.705 838 HD1 TYR 104 1HD TYR 104 -3.953 9.069 8.025 839 HD2 TYR 104 2HD TYR 104 0.203 9.637 7.363 840 HE1 TYR 104 1HE TYR 104 -4.370 11.419 7.481 841 HE2 TYR 104 2HE TYR 104 -0.211 11.994 6.812 842 HH TYR 104 HH TYR 104 -3.311 13.417 7.362 843 H VAL 105 H VAL 105 -0.546 5.761 6.278 844 HA VAL 105 HA VAL 105 -1.087 3.060 7.162 845 HB VAL 105 HB VAL 105 0.273 4.119 4.703 846 HG11 VAL 105 1HG1 VAL 105 0.594 1.311 5.805 847 HG12 VAL 105 2HG1 VAL 105 1.902 2.482 5.624 848 HG13 VAL 105 3HG1 VAL 105 1.083 1.845 4.198 849 HG21 VAL 105 3HG2 VAL 105 -1.195 2.447 3.730 850 HG22 VAL 105 1HG2 VAL 105 -2.037 3.644 4.739 851 HG23 VAL 105 2HG2 VAL 105 -1.705 2.028 5.387 852 H MET 106 H MET 106 0.041 1.969 8.401 853 HA MET 106 HA MET 106 2.810 2.672 9.007 854 HB2 MET 106 2HB MET 106 0.645 2.033 11.041 855 HB3 MET 106 1HB MET 106 2.358 2.109 11.406 856 HG2 MET 106 2HG MET 106 0.695 4.416 10.417 857 HG3 MET 106 1HG MET 106 1.114 4.113 12.102 858 HE1 MET 106 3HE MET 106 2.031 6.604 12.242 859 HE2 MET 106 1HE MET 106 1.635 6.858 10.542 860 HE3 MET 106 2HE MET 106 3.242 7.264 11.143 861 H LEU 107 H LEU 107 3.873 0.775 10.031 862 HA LEU 107 HA LEU 107 2.634 -1.741 9.193 863 HB2 LEU 107 2HB LEU 107 5.544 -0.908 9.233 864 HB3 LEU 107 1HB LEU 107 5.071 -2.583 9.155 865 HG LEU 107 HG LEU 107 3.873 -1.996 6.978 866 HD11 LEU 107 1HD1 LEU 107 3.794 0.412 7.204 867 HD12 LEU 107 2HD1 LEU 107 4.680 -0.054 5.752 868 HD13 LEU 107 3HD1 LEU 107 5.556 0.489 7.183 869 HD21 LEU 107 3HD2 LEU 107 5.941 -2.155 5.674 870 HD22 LEU 107 1HD2 LEU 107 5.941 -3.255 7.055 871 HD23 LEU 107 2HD2 LEU 107 6.872 -1.760 7.119 872 H GLY 108 H GLY 108 2.217 -3.133 10.884 873 HA2 GLY 108 2HA GLY 108 3.567 -2.415 13.383 874 HA3 GLY 108 1HA GLY 108 1.838 -2.588 13.304 875 H ASN 109 H ASN 109 0.926 -4.560 13.347 876 HA ASN 109 HA ASN 109 2.189 -6.245 15.215 877 HB2 ASN 109 2HB ASN 109 -0.220 -5.783 15.098 878 HB3 ASN 109 1HB ASN 109 -0.293 -6.688 13.600 879 HD21 ASN 109 1HD2 ASN 109 -1.674 -6.980 16.157 880 HD22 ASN 109 2HD2 ASN 109 -1.420 -8.607 16.679 881 H LYS 110 H LYS 110 1.471 -6.867 11.796 882 HA LYS 110 HA LYS 110 3.168 -9.210 12.108 883 HB2 LYS 110 2HB LYS 110 0.779 -8.781 10.345 884 HB3 LYS 110 1HB LYS 110 1.938 -10.071 10.011 885 HG2 LYS 110 2HG LYS 110 0.707 -9.730 12.712 886 HG3 LYS 110 1HG LYS 110 -0.128 -10.670 11.487 887 HD2 LYS 110 2HD LYS 110 1.480 -12.294 11.447 888 HD3 LYS 110 1HD LYS 110 2.737 -11.225 12.060 889 HE2 LYS 110 2HE LYS 110 0.350 -11.978 13.612 890 HE3 LYS 110 1HE LYS 110 1.820 -12.979 13.664 891 HZ1 LYS 110 3HZ LYS 110 2.992 -10.817 14.325 892 HZ2 LYS 110 1HZ LYS 110 1.948 -11.438 15.505 893 HZ3 LYS 110 2HZ LYS 110 1.474 -10.146 14.562 894 H ALA 111 H ALA 111 3.717 -6.326 11.362 895 HA ALA 111 HA ALA 111 4.893 -6.423 8.767 896 HB1 ALA 111 1HB ALA 111 4.296 -4.330 9.851 897 HB2 ALA 111 2HB ALA 111 6.018 -4.370 9.431 898 HB3 ALA 111 3HB ALA 111 5.506 -4.624 11.100 899 H GLN 112 H GLN 112 6.026 -6.921 12.018 900 HA GLN 112 HA GLN 112 8.752 -7.408 11.445 901 HB2 GLN 112 2HB GLN 112 8.844 -8.504 13.669 902 HB3 GLN 112 1HB GLN 112 7.956 -6.991 13.747 903 HG2 GLN 112 2HG GLN 112 6.424 -8.194 14.889 904 HG3 GLN 112 1HG GLN 112 5.950 -8.742 13.286 905 HE21 GLN 112 1HE2 GLN 112 8.473 -10.453 13.065 906 HE22 GLN 112 2HE2 GLN 112 8.167 -11.789 14.055 907 H THR 113 H THR 113 5.907 -9.329 11.222 908 HA THR 113 HA THR 113 7.152 -11.853 10.990 909 HB THR 113 HB THR 113 4.377 -10.966 10.176 910 HG1 THR 113 1HG THR 113 5.558 -11.597 12.684 911 HG21 THR 113 3HG2 THR 113 5.435 -13.615 11.190 912 HG22 THR 113 1HG2 THR 113 5.023 -13.271 9.508 913 HG23 THR 113 2HG2 THR 113 3.764 -13.268 10.745 914 H VAL 114 H VAL 114 6.283 -9.237 8.851 915 HA VAL 114 HA VAL 114 6.539 -10.590 6.394 916 HB VAL 114 HB VAL 114 7.172 -7.684 6.996 917 HG11 VAL 114 1HG1 VAL 114 8.097 -8.395 4.870 918 HG12 VAL 114 2HG1 VAL 114 6.764 -7.273 4.625 919 HG13 VAL 114 3HG1 VAL 114 6.521 -9.001 4.358 920 HG21 VAL 114 3HG2 VAL 114 4.568 -8.875 6.024 921 HG22 VAL 114 1HG2 VAL 114 4.922 -7.163 6.235 922 HG23 VAL 114 2HG2 VAL 114 4.882 -8.241 7.634 923 H LEU 115 H LEU 115 8.733 -8.828 8.436 924 HA LEU 115 HA LEU 115 11.070 -9.067 6.887 925 HB2 LEU 115 2HB LEU 115 10.871 -8.892 9.889 926 HB3 LEU 115 1HB LEU 115 12.249 -8.447 8.903 927 HG LEU 115 HG LEU 115 9.578 -7.106 8.880 928 HD11 LEU 115 1HD1 LEU 115 10.756 -5.223 9.985 929 HD12 LEU 115 2HD1 LEU 115 12.220 -6.201 10.053 930 HD13 LEU 115 3HD1 LEU 115 10.794 -6.686 10.969 931 HD21 LEU 115 3HD2 LEU 115 12.153 -6.370 7.480 932 HD22 LEU 115 1HD2 LEU 115 10.711 -5.355 7.541 933 HD23 LEU 115 2HD2 LEU 115 10.655 -6.914 6.723 934 H ASN 116 H ASN 116 9.731 -11.057 9.506 935 HA ASN 116 HA ASN 116 11.832 -12.975 9.406 936 HB2 ASN 116 2HB ASN 116 9.070 -13.093 10.628 937 HB3 ASN 116 1HB ASN 116 10.207 -14.434 10.730 938 HD21 ASN 116 1HD2 ASN 116 12.524 -12.612 11.032 939 HD22 ASN 116 2HD2 ASN 116 12.383 -12.002 12.641 940 H GLY 117 H GLY 117 9.217 -12.423 7.402 941 HA2 GLY 117 2HA GLY 117 8.883 -13.443 5.298 942 HA3 GLY 117 1HA GLY 117 10.017 -14.696 5.770 943 H ASN 118 H ASN 118 7.609 -14.139 8.041 944 HA ASN 118 HA ASN 118 6.378 -16.711 7.357 945 HB2 ASN 118 2HB ASN 118 7.347 -16.344 9.633 946 HB3 ASN 118 1HB ASN 118 6.196 -15.053 9.895 947 HD21 ASN 118 1HD2 ASN 118 5.484 -18.169 8.351 948 HD22 ASN 118 2HD2 ASN 118 4.426 -18.696 9.617 949 H LEU 119 H LEU 119 5.824 -14.172 6.009 950 HA LEU 119 HA LEU 119 3.036 -13.775 6.740 951 HB2 LEU 119 2HB LEU 119 3.043 -11.542 5.850 952 HB3 LEU 119 1HB LEU 119 4.472 -11.675 6.831 953 HG LEU 119 HG LEU 119 5.249 -10.455 5.089 954 HD11 LEU 119 1HD1 LEU 119 5.637 -13.225 4.312 955 HD12 LEU 119 2HD1 LEU 119 6.762 -12.236 5.254 956 HD13 LEU 119 3HD1 LEU 119 6.537 -11.936 3.500 957 HD21 LEU 119 3HD2 LEU 119 3.559 -12.024 3.142 958 HD22 LEU 119 1HD2 LEU 119 4.642 -10.699 2.712 959 HD23 LEU 119 2HD2 LEU 119 3.240 -10.395 3.737 960 H LYS 120 H LYS 120 2.113 -15.131 5.724 961 HA LYS 120 HA LYS 120 2.234 -14.928 2.861 962 HB2 LYS 120 2HB LYS 120 1.810 -17.308 2.468 963 HB3 LYS 120 1HB LYS 120 3.333 -16.962 3.232 964 HG2 LYS 120 2HG LYS 120 2.815 -17.972 5.171 965 HG3 LYS 120 1HG LYS 120 1.089 -17.636 5.036 966 HD2 LYS 120 2HD LYS 120 2.422 -19.535 3.118 967 HD3 LYS 120 1HD LYS 120 1.901 -20.098 4.702 968 HE2 LYS 120 2HE LYS 120 0.235 -20.500 2.837 969 HE3 LYS 120 1HE LYS 120 -0.401 -19.620 4.215 970 HZ1 LYS 120 3HZ LYS 120 0.499 -18.248 1.697 971 HZ2 LYS 120 1HZ LYS 120 -0.371 -17.590 2.942 972 HZ3 LYS 120 2HZ LYS 120 -1.021 -18.719 1.861 973 H VAL 121 H VAL 121 0.545 -13.814 2.354 974 HA VAL 121 HA VAL 121 -2.023 -14.769 3.388 975 HB VAL 121 HB VAL 121 -2.920 -12.607 3.313 976 HG11 VAL 121 1HG1 VAL 121 -1.521 -11.281 4.808 977 HG12 VAL 121 2HG1 VAL 121 -0.180 -12.390 4.499 978 HG13 VAL 121 3HG1 VAL 121 -1.652 -12.976 5.279 979 HG21 VAL 121 3HG2 VAL 121 -1.985 -11.963 1.247 980 HG22 VAL 121 1HG2 VAL 121 -0.401 -11.669 1.964 981 HG23 VAL 121 2HG2 VAL 121 -1.789 -10.637 2.419 982 H ASP 122 H ASP 122 -3.791 -13.986 1.899 983 HA ASP 122 HA ASP 122 -3.150 -14.888 -0.804 984 HB2 ASP 122 2HB ASP 122 -5.517 -15.411 -0.915 985 HB3 ASP 122 1HB ASP 122 -4.704 -16.164 0.477 986 H PHE 123 H PHE 123 -4.230 -13.832 -2.572 987 HA PHE 123 HA PHE 123 -5.800 -11.506 -2.117 988 HB2 PHE 123 2HB PHE 123 -3.623 -10.411 -2.022 989 HB3 PHE 123 1HB PHE 123 -3.127 -11.215 -3.504 990 HD1 PHE 123 1HD PHE 123 -5.809 -8.955 -2.239 991 HD2 PHE 123 2HD PHE 123 -3.238 -10.020 -5.462 992 HE1 PHE 123 1HE PHE 123 -6.627 -7.028 -3.527 993 HE2 PHE 123 2HE PHE 123 -4.052 -8.096 -6.753 994 HZ PHE 123 HZ PHE 123 -5.751 -6.597 -5.777 995 H MET 124 H MET 124 -7.150 -11.163 -3.675 996 HA MET 124 HA MET 124 -7.091 -13.065 -5.877 997 HB2 MET 124 2HB MET 124 -9.108 -13.068 -4.357 998 HB3 MET 124 1HB MET 124 -9.473 -11.446 -4.915 999 HG2 MET 124 2HG MET 124 -9.231 -13.712 -6.866 1000 HG3 MET 124 1HG MET 124 -10.713 -13.472 -5.953 1001 HE1 MET 124 3HE MET 124 -12.436 -11.640 -6.377 1002 HE2 MET 124 1HE MET 124 -12.113 -10.158 -7.276 1003 HE3 MET 124 2HE MET 124 -11.254 -10.479 -5.773 1004 H GLU 125 H GLU 125 -7.194 -12.473 -7.915 1005 HA GLU 125 HA GLU 125 -5.588 -10.354 -8.577 1006 HB2 GLU 125 2HB GLU 125 -7.323 -11.927 -10.437 1007 HB3 GLU 125 1HB GLU 125 -5.867 -11.036 -10.844 1008 HG2 GLU 125 2HG GLU 125 -6.087 -13.531 -9.179 1009 HG3 GLU 125 1HG GLU 125 -5.307 -13.343 -10.745 1010 H THR 126 H THR 126 -8.956 -10.642 -9.680 1011 HA THR 126 HA THR 126 -8.601 -7.977 -10.863 1012 HB THR 126 HB THR 126 -10.752 -9.992 -11.509 1013 HG1 THR 126 1HG THR 126 -8.036 -9.971 -11.985 1014 HG21 THR 126 3HG2 THR 126 -9.434 -7.798 -13.147 1015 HG22 THR 126 1HG2 THR 126 -11.045 -7.700 -12.435 1016 HG23 THR 126 2HG2 THR 126 -10.711 -8.875 -13.708 1017 H GLU 127 H GLU 127 -10.292 -6.410 -10.899 1018 HA GLU 127 HA GLU 127 -12.766 -6.469 -9.764 1019 HB2 GLU 127 2HB GLU 127 -11.437 -6.483 -7.602 1020 HB3 GLU 127 1HB GLU 127 -10.650 -5.018 -8.133 1021 HG2 GLU 127 2HG GLU 127 -12.767 -3.818 -8.033 1022 HG3 GLU 127 1HG GLU 127 -13.589 -5.301 -7.538 Start of MODEL 5 1 H1 CYS 1 1HT CYS 1 -14.373 -27.414 -14.073 2 H2 CYS 1 2HT CYS 1 -16.064 -27.212 -13.844 3 H3 CYS 1 3HT CYS 1 -15.029 -25.885 -14.184 4 HA CYS 1 HA CYS 1 -15.399 -28.096 -16.072 5 HB2 CYS 1 2HB CYS 1 -17.445 -26.587 -15.740 6 HB3 CYS 1 1HB CYS 1 -16.427 -25.216 -16.145 7 HG CYS 1 HG CYS 1 -18.150 -25.899 -18.309 8 H LYS 2 H LYS 2 -14.845 -26.031 -18.163 9 HA LYS 2 HA LYS 2 -12.029 -25.666 -17.649 10 HB2 LYS 2 2HB LYS 2 -13.755 -24.671 -19.955 11 HB3 LYS 2 1HB LYS 2 -12.010 -24.500 -19.865 12 HG2 LYS 2 2HG LYS 2 -11.791 -26.959 -19.902 13 HG3 LYS 2 1HG LYS 2 -13.544 -27.089 -20.067 14 HD2 LYS 2 2HD LYS 2 -13.451 -25.842 -22.167 15 HD3 LYS 2 1HD LYS 2 -11.706 -25.663 -21.994 16 HE2 LYS 2 2HE LYS 2 -12.202 -27.450 -23.559 17 HE3 LYS 2 1HE LYS 2 -11.468 -28.116 -22.104 18 HZ1 LYS 2 3HZ LYS 2 -14.374 -28.114 -22.730 19 HZ2 LYS 2 1HZ LYS 2 -13.667 -28.775 -21.340 20 HZ3 LYS 2 2HZ LYS 2 -13.343 -29.443 -22.858 21 H THR 3 H THR 3 -12.177 -24.499 -15.811 22 HA THR 3 HA THR 3 -12.902 -21.703 -15.986 23 HB THR 3 HB THR 3 -13.993 -22.069 -13.673 24 HG1 THR 3 1HG THR 3 -13.458 -24.109 -13.238 25 HG21 THR 3 3HG2 THR 3 -16.218 -22.621 -14.636 26 HG22 THR 3 1HG2 THR 3 -15.426 -23.138 -16.124 27 HG23 THR 3 2HG2 THR 3 -15.349 -21.449 -15.625 28 H LYS 4 H LYS 4 -12.297 -20.918 -13.539 29 HA LYS 4 HA LYS 4 -9.570 -21.702 -13.144 30 HB2 LYS 4 2HB LYS 4 -9.573 -20.083 -11.313 31 HB3 LYS 4 1HB LYS 4 -10.235 -19.364 -12.772 32 HG2 LYS 4 2HG LYS 4 -12.455 -19.456 -11.930 33 HG3 LYS 4 1HG LYS 4 -11.980 -20.511 -10.604 34 HD2 LYS 4 2HD LYS 4 -11.112 -17.632 -10.949 35 HD3 LYS 4 1HD LYS 4 -12.377 -18.194 -9.855 36 HE2 LYS 4 2HE LYS 4 -10.644 -19.649 -8.749 37 HE3 LYS 4 1HE LYS 4 -9.431 -18.847 -9.739 38 HZ1 LYS 4 3HZ LYS 4 -11.196 -17.546 -7.763 39 HZ2 LYS 4 1HZ LYS 4 -10.097 -16.757 -8.778 40 HZ3 LYS 4 2HZ LYS 4 -9.533 -17.849 -7.604 41 H ASP 5 H ASP 5 -8.878 -22.199 -10.849 42 HA ASP 5 HA ASP 5 -10.399 -24.422 -9.793 43 HB2 ASP 5 2HB ASP 5 -7.924 -24.587 -10.134 44 HB3 ASP 5 1HB ASP 5 -7.690 -23.241 -9.032 45 H TYR 6 H TYR 6 -10.093 -24.328 -7.143 46 HA TYR 6 HA TYR 6 -11.768 -22.100 -6.342 47 HB2 TYR 6 2HB TYR 6 -11.906 -23.338 -4.164 48 HB3 TYR 6 1HB TYR 6 -12.433 -24.292 -5.542 49 HD1 TYR 6 2HD TYR 6 -9.815 -23.886 -2.982 50 HD2 TYR 6 1HD TYR 6 -11.176 -26.249 -6.249 51 HE1 TYR 6 2HE TYR 6 -8.234 -25.660 -2.353 52 HE2 TYR 6 1HE TYR 6 -9.600 -28.026 -5.625 53 HH TYR 6 HH TYR 6 -7.502 -28.215 -4.421 54 H LYS 7 H LYS 7 -8.510 -23.034 -6.282 55 HA LYS 7 HA LYS 7 -7.435 -21.964 -4.025 56 HB2 LYS 7 2HB LYS 7 -6.241 -23.334 -5.677 57 HB3 LYS 7 1HB LYS 7 -6.224 -21.976 -6.787 58 HG2 LYS 7 2HG LYS 7 -4.074 -22.164 -5.756 59 HG3 LYS 7 1HG LYS 7 -4.867 -20.714 -5.143 60 HD2 LYS 7 2HD LYS 7 -5.538 -21.992 -3.118 61 HD3 LYS 7 1HD LYS 7 -4.627 -23.377 -3.731 62 HE2 LYS 7 2HE LYS 7 -3.282 -22.171 -2.130 63 HE3 LYS 7 1HE LYS 7 -2.591 -21.972 -3.741 64 HZ1 LYS 7 3HZ LYS 7 -3.802 -19.786 -3.841 65 HZ2 LYS 7 1HZ LYS 7 -2.598 -19.844 -2.673 66 HZ3 LYS 7 2HZ LYS 7 -4.187 -19.986 -2.220 67 H THR 8 H THR 8 -7.252 -20.016 -3.177 68 HA THR 8 HA THR 8 -7.856 -17.568 -4.470 69 HB THR 8 HB THR 8 -6.276 -17.869 -1.917 70 HG1 THR 8 1HG THR 8 -8.699 -18.061 -1.161 71 HG21 THR 8 3HG2 THR 8 -7.747 -16.043 -1.169 72 HG22 THR 8 1HG2 THR 8 -8.631 -16.122 -2.693 73 HG23 THR 8 2HG2 THR 8 -6.944 -15.609 -2.678 74 H ARG 9 H ARG 9 -5.992 -15.739 -4.220 75 HA ARG 9 HA ARG 9 -3.617 -16.844 -5.507 76 HB2 ARG 9 2HB ARG 9 -4.576 -14.017 -5.164 77 HB3 ARG 9 1HB ARG 9 -3.119 -14.477 -6.043 78 HG2 ARG 9 2HG ARG 9 -5.946 -15.211 -6.742 79 HG3 ARG 9 1HG ARG 9 -4.955 -13.967 -7.531 80 HD2 ARG 9 2HD ARG 9 -3.406 -15.690 -8.304 81 HD3 ARG 9 1HD ARG 9 -4.340 -16.927 -7.465 82 HE ARG 9 HE ARG 9 -6.163 -15.785 -9.113 83 HH11 ARG 9 1HH1 ARG 9 -2.996 -17.214 -9.744 84 HH12 ARG 9 2HH1 ARG 9 -3.398 -17.743 -11.316 85 HH21 ARG 9 1HH2 ARG 9 -6.723 -16.460 -11.136 86 HH22 ARG 9 2HH2 ARG 9 -5.647 -17.282 -12.185 87 H ASP 10 H ASP 10 -1.578 -16.147 -4.799 88 HA ASP 10 HA ASP 10 -1.473 -15.432 -1.941 89 HB2 ASP 10 2HB ASP 10 0.245 -17.381 -3.482 90 HB3 ASP 10 1HB ASP 10 0.809 -16.641 -1.997 91 H VAL 11 H VAL 11 -0.864 -13.439 -1.891 92 HA VAL 11 HA VAL 11 1.195 -12.641 -3.811 93 HB VAL 11 HB VAL 11 0.716 -10.244 -3.121 94 HG11 VAL 11 1HG1 VAL 11 -0.109 -11.143 -5.201 95 HG12 VAL 11 2HG1 VAL 11 -1.241 -10.010 -4.455 96 HG13 VAL 11 3HG1 VAL 11 -1.556 -11.755 -4.371 97 HG21 VAL 11 3HG2 VAL 11 -0.329 -10.743 -1.062 98 HG22 VAL 11 1HG2 VAL 11 -1.668 -11.548 -1.877 99 HG23 VAL 11 2HG2 VAL 11 -1.434 -9.789 -2.082 100 H THR 12 H THR 12 2.966 -13.184 -3.009 101 HA THR 12 HA THR 12 3.588 -12.060 -0.377 102 HB THR 12 HB THR 12 5.101 -13.703 0.059 103 HG1 THR 12 1HG THR 12 4.419 -15.026 -2.453 104 HG21 THR 12 3HG2 THR 12 2.716 -15.120 -1.103 105 HG22 THR 12 1HG2 THR 12 2.737 -14.196 0.400 106 HG23 THR 12 2HG2 THR 12 3.719 -15.660 0.251 107 H ASP 13 H ASP 13 4.721 -12.771 -3.566 108 HA ASP 13 HA ASP 13 7.224 -11.547 -3.441 109 HB2 ASP 13 2HB ASP 13 6.990 -11.783 -5.940 110 HB3 ASP 13 1HB ASP 13 6.747 -13.277 -5.036 111 H ASP 14 H ASP 14 3.999 -10.584 -4.433 112 HA ASP 14 HA ASP 14 4.766 -8.026 -5.470 113 HB2 ASP 14 2HB ASP 14 2.538 -9.146 -5.986 114 HB3 ASP 14 1HB ASP 14 2.028 -8.743 -4.351 115 H VAL 15 H VAL 15 3.518 -9.186 -2.481 116 HA VAL 15 HA VAL 15 3.344 -6.725 -1.129 117 HB VAL 15 HB VAL 15 3.399 -9.574 -0.074 118 HG11 VAL 15 1HG1 VAL 15 2.426 -8.635 1.985 119 HG12 VAL 15 2HG1 VAL 15 2.581 -7.007 1.326 120 HG13 VAL 15 3HG1 VAL 15 4.026 -7.949 1.694 121 HG21 VAL 15 3HG2 VAL 15 0.965 -9.246 0.084 122 HG22 VAL 15 1HG2 VAL 15 1.525 -9.081 -1.576 123 HG23 VAL 15 2HG2 VAL 15 1.137 -7.650 -0.636 124 H LYS 16 H LYS 16 5.865 -9.221 -1.192 125 HA LYS 16 HA LYS 16 7.542 -8.026 0.733 126 HB2 LYS 16 2HB LYS 16 7.791 -10.376 -0.021 127 HB3 LYS 16 1HB LYS 16 8.278 -9.810 -1.602 128 HG2 LYS 16 2HG LYS 16 10.207 -10.550 -0.335 129 HG3 LYS 16 1HG LYS 16 10.301 -8.818 -0.638 130 HD2 LYS 16 2HD LYS 16 10.999 -9.377 1.650 131 HD3 LYS 16 1HD LYS 16 9.556 -8.370 1.656 132 HE2 LYS 16 2HE LYS 16 8.167 -10.247 2.130 133 HE3 LYS 16 1HE LYS 16 9.499 -11.388 1.921 134 HZ1 LYS 16 3HZ LYS 16 9.057 -10.975 4.272 135 HZ2 LYS 16 1HZ LYS 16 9.272 -9.319 4.069 136 HZ3 LYS 16 2HZ LYS 16 10.568 -10.370 3.880 137 H SER 17 H SER 17 7.223 -7.664 -2.740 138 HA SER 17 HA SER 17 9.351 -5.918 -3.196 139 HB2 SER 17 2HB SER 17 8.111 -7.011 -5.014 140 HB3 SER 17 1HB SER 17 6.648 -6.150 -4.560 141 HG SER 17 HG SER 17 9.035 -5.089 -5.637 142 H ILE 18 H ILE 18 5.945 -5.309 -2.312 143 HA ILE 18 HA ILE 18 5.977 -2.533 -2.208 144 HB ILE 18 HB ILE 18 4.398 -4.560 -0.619 145 HG12 ILE 18 2HG1 ILE 18 3.595 -2.768 -2.929 146 HG13 ILE 18 1HG1 ILE 18 3.952 -4.486 -3.042 147 HG21 ILE 18 1HG2 ILE 18 2.877 -2.752 0.069 148 HG22 ILE 18 2HG2 ILE 18 4.013 -1.572 -0.609 149 HG23 ILE 18 3HG2 ILE 18 4.508 -2.612 0.732 150 HD11 ILE 18 3HD1 ILE 18 2.019 -4.973 -1.619 151 HD12 ILE 18 1HD1 ILE 18 1.560 -4.071 -3.064 152 HD13 ILE 18 2HD1 ILE 18 1.670 -3.249 -1.506 153 H VAL 19 H VAL 19 6.497 -4.847 0.392 154 HA VAL 19 HA VAL 19 7.077 -3.009 2.396 155 HB VAL 19 HB VAL 19 7.870 -5.900 2.119 156 HG11 VAL 19 1HG1 VAL 19 8.375 -5.839 4.545 157 HG12 VAL 19 2HG1 VAL 19 8.046 -4.105 4.563 158 HG13 VAL 19 3HG1 VAL 19 9.435 -4.727 3.672 159 HG21 VAL 19 3HG2 VAL 19 5.526 -5.396 2.245 160 HG22 VAL 19 1HG2 VAL 19 5.833 -4.444 3.701 161 HG23 VAL 19 2HG2 VAL 19 6.082 -6.216 3.724 162 H ARG 20 H ARG 20 9.276 -4.680 0.174 163 HA ARG 20 HA ARG 20 11.579 -3.638 1.364 164 HB2 ARG 20 2HB ARG 20 11.830 -5.480 -0.187 165 HB3 ARG 20 1HB ARG 20 11.178 -4.506 -1.509 166 HG2 ARG 20 2HG ARG 20 13.033 -2.938 -1.253 167 HG3 ARG 20 1HG ARG 20 13.692 -3.945 0.018 168 HD2 ARG 20 2HD ARG 20 14.255 -5.652 -1.511 169 HD3 ARG 20 1HD ARG 20 13.274 -4.920 -2.798 170 HE ARG 20 HE ARG 20 14.725 -2.945 -2.468 171 HH11 ARG 20 1HH1 ARG 20 15.996 -6.223 -2.315 172 HH12 ARG 20 2HH1 ARG 20 17.634 -5.774 -2.516 173 HH21 ARG 20 1HH2 ARG 20 16.839 -2.277 -2.631 174 HH22 ARG 20 2HH2 ARG 20 18.164 -3.361 -2.723 175 H PHE 21 H PHE 21 9.581 -2.377 -1.265 176 HA PHE 21 HA PHE 21 11.234 -0.162 -1.787 177 HB2 PHE 21 2HB PHE 21 8.390 -0.718 -2.398 178 HB3 PHE 21 1HB PHE 21 9.087 0.860 -2.740 179 HD1 PHE 21 1HD PHE 21 11.514 0.600 -3.866 180 HD2 PHE 21 2HD PHE 21 8.301 -2.111 -4.156 181 HE1 PHE 21 1HE PHE 21 12.424 -0.209 -6.027 182 HE2 PHE 21 2HE PHE 21 9.163 -2.954 -6.307 183 HZ PHE 21 HZ PHE 21 11.245 -1.999 -7.248 184 H VAL 22 H VAL 22 8.463 -0.453 0.385 185 HA VAL 22 HA VAL 22 8.680 2.283 1.007 186 HB VAL 22 HB VAL 22 7.103 1.835 2.897 187 HG11 VAL 22 1HG1 VAL 22 6.298 0.712 0.212 188 HG12 VAL 22 2HG1 VAL 22 6.252 2.407 0.688 189 HG13 VAL 22 3HG1 VAL 22 5.182 1.244 1.468 190 HG21 VAL 22 3HG2 VAL 22 7.208 -0.965 1.837 191 HG22 VAL 22 1HG2 VAL 22 6.088 -0.397 3.086 192 HG23 VAL 22 2HG2 VAL 22 7.841 -0.435 3.393 193 H GLN 23 H GLN 23 9.979 -0.663 2.450 194 HA GLN 23 HA GLN 23 11.156 0.588 4.673 195 HB2 GLN 23 2HB GLN 23 10.963 -1.845 4.483 196 HB3 GLN 23 1HB GLN 23 12.070 -1.843 3.123 197 HG2 GLN 23 2HG GLN 23 13.883 -1.133 4.550 198 HG3 GLN 23 1HG GLN 23 12.783 -0.999 5.921 199 HE21 GLN 23 1HE2 GLN 23 12.029 -2.858 6.898 200 HE22 GLN 23 2HE2 GLN 23 12.774 -4.400 6.622 201 H GLU 24 H GLU 24 12.623 -0.161 1.456 202 HA GLU 24 HA GLU 24 14.989 1.293 2.167 203 HB2 GLU 24 2HB GLU 24 15.919 0.675 0.051 204 HB3 GLU 24 1HB GLU 24 15.033 -0.717 0.637 205 HG2 GLU 24 2HG GLU 24 13.183 -0.140 -0.872 206 HG3 GLU 24 1HG GLU 24 14.119 1.227 -1.473 207 H HIS 25 H HIS 25 12.054 2.331 1.362 208 HA HIS 25 HA HIS 25 12.375 4.535 -0.337 209 HB2 HIS 25 2HB HIS 25 10.171 3.960 0.410 210 HB3 HIS 25 1HB HIS 25 10.632 4.081 2.096 211 HD1 HIS 25 1HD HIS 25 10.750 6.493 3.118 212 HD2 HIS 25 2HD HIS 25 9.339 6.332 -0.795 213 HE1 HIS 25 1HE HIS 25 9.673 8.719 2.697 214 HE2 HIS 25 2HE HIS 25 8.755 8.582 0.357 215 H SER 26 H SER 26 13.181 4.058 3.022 216 HA SER 26 HA SER 26 14.076 6.811 3.261 217 HB2 SER 26 2HB SER 26 13.806 4.649 5.353 218 HB3 SER 26 1HB SER 26 14.055 6.375 5.639 219 HG SER 26 HG SER 26 11.831 5.484 5.750 220 H SER 27 H SER 27 15.396 4.264 1.912 221 HA SER 27 HA SER 27 18.022 4.554 3.190 222 HB2 SER 27 2HB SER 27 17.031 2.369 1.345 223 HB3 SER 27 1HB SER 27 18.532 2.374 2.279 224 HG SER 27 HG SER 27 16.728 2.792 4.044 225 H SER 28 H SER 28 16.348 5.991 1.015 226 HA SER 28 HA SER 28 16.721 7.332 -0.708 227 HB2 SER 28 2HB SER 28 18.952 7.822 0.250 228 HB3 SER 28 1HB SER 28 19.625 6.455 -0.636 229 HG SER 28 HG SER 28 19.982 8.331 -1.793 230 H GLN 29 H GLN 29 16.201 7.194 -2.710 231 HA GLN 29 HA GLN 29 16.970 4.841 -4.228 232 HB2 GLN 29 2HB GLN 29 14.164 5.978 -4.062 233 HB3 GLN 29 1HB GLN 29 14.667 4.783 -5.254 234 HG2 GLN 29 2HG GLN 29 15.254 3.240 -3.430 235 HG3 GLN 29 1HG GLN 29 14.693 4.426 -2.262 236 HE21 GLN 29 1HE2 GLN 29 13.203 3.055 -1.454 237 HE22 GLN 29 2HE2 GLN 29 11.760 2.592 -2.269 238 H GLY 30 H GLY 30 15.003 7.718 -4.896 239 HA2 GLY 30 2HA GLY 30 15.178 9.347 -6.524 240 HA3 GLY 30 1HA GLY 30 16.677 9.616 -5.678 241 H MET 31 H MET 31 18.606 8.594 -6.577 242 HA MET 31 HA MET 31 18.863 9.211 -9.293 243 HB2 MET 31 2HB MET 31 21.186 8.393 -9.119 244 HB3 MET 31 1HB MET 31 20.760 9.510 -7.840 245 HG2 MET 31 2HG MET 31 20.818 6.512 -7.512 246 HG3 MET 31 1HG MET 31 22.173 7.571 -7.132 247 HE1 MET 31 3HE MET 31 22.244 6.515 -4.672 248 HE2 MET 31 1HE MET 31 20.871 5.482 -5.067 249 HE3 MET 31 2HE MET 31 20.846 6.453 -3.597 250 H ARG 32 H ARG 32 18.165 6.188 -7.751 251 HA ARG 32 HA ARG 32 18.684 4.765 -10.249 252 HB2 ARG 32 2HB ARG 32 18.027 2.687 -8.956 253 HB3 ARG 32 1HB ARG 32 19.467 3.513 -8.389 254 HG2 ARG 32 2HG ARG 32 18.170 4.522 -6.579 255 HG3 ARG 32 1HG ARG 32 16.723 3.704 -7.164 256 HD2 ARG 32 2HD ARG 32 17.612 1.573 -6.637 257 HD3 ARG 32 1HD ARG 32 19.223 2.232 -6.366 258 HE ARG 32 HE ARG 32 18.126 3.465 -4.447 259 HH11 ARG 32 1HH1 ARG 32 16.821 0.314 -5.503 260 HH12 ARG 32 2HH1 ARG 32 16.400 -0.111 -3.886 261 HH21 ARG 32 1HH2 ARG 32 17.491 2.751 -2.283 262 HH22 ARG 32 2HH2 ARG 32 16.781 1.182 -2.147 263 H ASN 33 H ASN 33 16.163 6.406 -8.910 264 HA ASN 33 HA ASN 33 14.103 4.849 -10.368 265 HB2 ASN 33 2HB ASN 33 13.816 6.824 -8.068 266 HB3 ASN 33 1HB ASN 33 12.474 6.083 -8.903 267 HD21 ASN 33 1HD2 ASN 33 11.660 5.252 -7.074 268 HD22 ASN 33 2HD2 ASN 33 12.416 3.938 -6.203 269 H ILE 34 H ILE 34 12.210 6.897 -10.482 270 HA ILE 34 HA ILE 34 13.187 8.819 -12.329 271 HB ILE 34 HB ILE 34 10.689 8.905 -10.562 272 HG12 ILE 34 2HG1 ILE 34 10.989 7.912 -13.412 273 HG13 ILE 34 1HG1 ILE 34 10.768 6.894 -11.996 274 HG21 ILE 34 1HG2 ILE 34 9.788 10.483 -12.229 275 HG22 ILE 34 2HG2 ILE 34 11.320 10.430 -13.100 276 HG23 ILE 34 3HG2 ILE 34 11.256 11.106 -11.474 277 HD11 ILE 34 3HD1 ILE 34 8.783 8.894 -13.060 278 HD12 ILE 34 1HD1 ILE 34 8.555 7.865 -11.647 279 HD13 ILE 34 2HD1 ILE 34 8.701 7.141 -13.247 280 H LYS 35 H LYS 35 13.681 11.084 -11.772 281 HA LYS 35 HA LYS 35 15.098 11.015 -9.270 282 HB2 LYS 35 2HB LYS 35 15.145 13.384 -11.133 283 HB3 LYS 35 1HB LYS 35 16.399 12.824 -10.040 284 HG2 LYS 35 2HG LYS 35 15.586 11.617 -12.687 285 HG3 LYS 35 1HG LYS 35 17.125 12.364 -12.271 286 HD2 LYS 35 2HD LYS 35 17.695 10.513 -10.831 287 HD3 LYS 35 1HD LYS 35 16.079 9.823 -11.001 288 HE2 LYS 35 2HE LYS 35 16.570 9.699 -13.504 289 HE3 LYS 35 1HE LYS 35 18.248 10.024 -13.080 290 HZ1 LYS 35 3HZ LYS 35 16.635 7.780 -12.026 291 HZ2 LYS 35 1HZ LYS 35 18.270 7.989 -11.736 292 HZ3 LYS 35 2HZ LYS 35 17.734 7.608 -13.288 293 H HIS 36 H HIS 36 13.343 11.030 -7.888 294 HA HIS 36 HA HIS 36 12.618 13.635 -6.934 295 HB2 HIS 36 2HB HIS 36 10.947 13.231 -8.758 296 HB3 HIS 36 1HB HIS 36 10.451 11.762 -7.940 297 HD1 HIS 36 1HD HIS 36 9.662 15.257 -8.231 298 HD2 HIS 36 2HD HIS 36 9.250 12.374 -5.282 299 HE1 HIS 36 1HE HIS 36 7.897 16.132 -6.669 300 HE2 HIS 36 2HE HIS 36 7.386 14.096 -5.289 301 H VAL 37 H VAL 37 12.536 13.446 -4.752 302 HA VAL 37 HA VAL 37 12.110 10.788 -3.602 303 HB VAL 37 HB VAL 37 13.428 13.228 -2.341 304 HG11 VAL 37 1HG1 VAL 37 14.104 11.695 -0.545 305 HG12 VAL 37 2HG1 VAL 37 13.199 10.396 -1.320 306 HG13 VAL 37 3HG1 VAL 37 12.349 11.804 -0.685 307 HG21 VAL 37 3HG2 VAL 37 15.536 11.976 -2.523 308 HG22 VAL 37 1HG2 VAL 37 14.831 12.294 -4.109 309 HG23 VAL 37 2HG2 VAL 37 14.693 10.691 -3.388 310 H GLY 38 H GLY 38 10.248 10.509 -2.579 311 HA2 GLY 38 2HA GLY 38 8.751 12.936 -1.770 312 HA3 GLY 38 1HA GLY 38 7.972 11.521 -2.449 313 HA PRO 39 HA PRO 39 8.455 10.644 2.159 314 HB2 PRO 39 2HB PRO 39 9.787 12.352 3.719 315 HB3 PRO 39 1HB PRO 39 10.673 11.293 2.601 316 HG2 PRO 39 2HG PRO 39 10.299 14.195 2.453 317 HG3 PRO 39 1HG PRO 39 11.502 13.170 1.655 318 HD2 PRO 39 2HD PRO 39 8.991 14.182 0.575 319 HD3 PRO 39 1HD PRO 39 10.316 13.349 -0.265 320 H SER 40 H SER 40 6.716 12.825 0.810 321 HA SER 40 HA SER 40 6.041 14.746 2.743 322 HB2 SER 40 2HB SER 40 4.227 15.184 0.982 323 HB3 SER 40 1HB SER 40 5.920 15.418 0.532 324 HG SER 40 HG SER 40 4.301 13.163 0.025 325 H GLY 41 H GLY 41 5.225 13.842 4.586 326 HA2 GLY 41 2HA GLY 41 3.345 13.528 5.929 327 HA3 GLY 41 1HA GLY 41 2.384 13.341 4.473 328 H ARG 42 H ARG 42 5.276 11.415 5.235 329 HA ARG 42 HA ARG 42 5.641 9.343 5.460 330 HB2 ARG 42 2HB ARG 42 2.986 9.321 6.880 331 HB3 ARG 42 1HB ARG 42 4.045 7.923 6.777 332 HG2 ARG 42 2HG ARG 42 5.797 9.230 7.913 333 HG3 ARG 42 1HG ARG 42 4.643 10.559 8.081 334 HD2 ARG 42 2HD ARG 42 4.160 7.783 9.058 335 HD3 ARG 42 1HD ARG 42 4.880 9.061 10.050 336 HE ARG 42 HE ARG 42 2.745 10.302 9.629 337 HH11 ARG 42 1HH1 ARG 42 2.523 6.701 9.343 338 HH12 ARG 42 2HH1 ARG 42 1.003 6.670 10.109 339 HH21 ARG 42 1HH2 ARG 42 0.579 10.069 10.723 340 HH22 ARG 42 2HH2 ARG 42 -0.056 8.507 10.875 341 H PHE 43 H PHE 43 2.430 8.258 5.374 342 HA PHE 43 HA PHE 43 2.348 7.570 2.583 343 HB2 PHE 43 2HB PHE 43 2.669 5.376 4.679 344 HB3 PHE 43 1HB PHE 43 2.385 5.144 2.964 345 HD1 PHE 43 2HD PHE 43 4.845 6.034 5.524 346 HD2 PHE 43 1HD PHE 43 4.221 5.313 1.376 347 HE1 PHE 43 2HE PHE 43 7.250 5.976 5.196 348 HE2 PHE 43 1HE PHE 43 6.656 5.225 1.032 349 HZ PHE 43 HZ PHE 43 8.181 5.548 2.938 350 H THR 44 H THR 44 0.242 7.669 2.200 351 HA THR 44 HA THR 44 -1.579 6.746 4.312 352 HB THR 44 HB THR 44 -3.364 8.062 3.137 353 HG1 THR 44 1HG THR 44 -1.359 9.432 1.757 354 HG21 THR 44 3HG2 THR 44 -0.981 9.733 3.936 355 HG22 THR 44 1HG2 THR 44 -2.215 9.111 5.030 356 HG23 THR 44 2HG2 THR 44 -2.642 10.311 3.810 357 H MET 45 H MET 45 -3.392 5.430 3.460 358 HA MET 45 HA MET 45 -2.500 3.509 1.735 359 HB2 MET 45 2HB MET 45 -4.852 2.692 1.464 360 HB3 MET 45 1HB MET 45 -4.388 2.970 3.131 361 HG2 MET 45 2HG MET 45 -5.708 4.931 3.274 362 HG3 MET 45 1HG MET 45 -5.937 4.989 1.530 363 HE1 MET 45 3HE MET 45 -6.706 2.088 0.652 364 HE2 MET 45 1HE MET 45 -7.604 3.532 0.180 365 HE3 MET 45 2HE MET 45 -8.458 2.134 0.829 366 H ASN 46 H ASN 46 -4.287 6.435 0.936 367 HA ASN 46 HA ASN 46 -4.840 5.785 -1.765 368 HB2 ASN 46 2HB ASN 46 -4.853 8.384 -0.268 369 HB3 ASN 46 1HB ASN 46 -5.029 8.371 -2.019 370 HD21 ASN 46 1HD2 ASN 46 -6.950 9.144 0.084 371 HD22 ASN 46 2HD2 ASN 46 -8.319 8.131 -0.198 372 H MET 47 H MET 47 -2.089 7.294 -0.227 373 HA MET 47 HA MET 47 -0.818 8.147 -2.617 374 HB2 MET 47 2HB MET 47 0.209 7.512 0.139 375 HB3 MET 47 1HB MET 47 1.269 8.031 -1.159 376 HG2 MET 47 2HG MET 47 0.268 10.156 -1.255 377 HG3 MET 47 1HG MET 47 -1.097 9.636 -0.263 378 HE1 MET 47 3HE MET 47 -0.667 11.891 1.196 379 HE2 MET 47 1HE MET 47 0.755 12.280 0.225 380 HE3 MET 47 2HE MET 47 0.872 12.244 1.984 381 H LEU 48 H LEU 48 -0.709 5.259 -0.648 382 HA LEU 48 HA LEU 48 1.364 3.958 -1.987 383 HB2 LEU 48 2HB LEU 48 -1.007 2.751 -0.579 384 HB3 LEU 48 1HB LEU 48 0.461 1.898 -1.008 385 HG LEU 48 HG LEU 48 0.203 4.138 0.992 386 HD11 LEU 48 1HD1 LEU 48 0.817 1.217 1.340 387 HD12 LEU 48 2HD1 LEU 48 -0.673 2.044 1.799 388 HD13 LEU 48 3HD1 LEU 48 0.845 2.442 2.608 389 HD21 LEU 48 3HD2 LEU 48 2.319 4.346 -0.114 390 HD22 LEU 48 1HD2 LEU 48 2.645 2.618 0.083 391 HD23 LEU 48 2HD2 LEU 48 2.573 3.669 1.496 392 H VAL 49 H VAL 49 -2.193 3.844 -2.593 393 HA VAL 49 HA VAL 49 -2.139 1.989 -4.607 394 HB VAL 49 HB VAL 49 -4.008 4.198 -3.789 395 HG11 VAL 49 1HG1 VAL 49 -4.349 3.607 -6.032 396 HG12 VAL 49 2HG1 VAL 49 -5.675 2.990 -5.002 397 HG13 VAL 49 3HG1 VAL 49 -4.398 1.890 -5.605 398 HG21 VAL 49 3HG2 VAL 49 -3.562 2.560 -2.137 399 HG22 VAL 49 1HG2 VAL 49 -3.969 1.259 -3.249 400 HG23 VAL 49 2HG2 VAL 49 -5.229 2.404 -2.724 401 H ASP 50 H ASP 50 -2.360 5.509 -4.622 402 HA ASP 50 HA ASP 50 -2.372 5.761 -7.416 403 HB2 ASP 50 2HB ASP 50 -2.160 7.688 -5.200 404 HB3 ASP 50 1HB ASP 50 -1.340 8.206 -6.662 405 H ILE 51 H ILE 51 0.391 5.759 -5.204 406 HA ILE 51 HA ILE 51 2.225 6.289 -7.324 407 HB ILE 51 HB ILE 51 2.655 5.398 -4.460 408 HG12 ILE 51 2HG1 ILE 51 4.075 7.379 -4.332 409 HG13 ILE 51 1HG1 ILE 51 3.762 7.753 -6.019 410 HG21 ILE 51 1HG2 ILE 51 5.098 5.376 -4.850 411 HG22 ILE 51 2HG2 ILE 51 4.744 5.531 -6.580 412 HG23 ILE 51 3HG2 ILE 51 4.248 4.078 -5.713 413 HD11 ILE 51 3HD1 ILE 51 1.841 7.846 -3.705 414 HD12 ILE 51 1HD1 ILE 51 1.377 8.024 -5.402 415 HD13 ILE 51 2HD1 ILE 51 2.477 9.190 -4.668 416 H PHE 52 H PHE 52 0.980 3.366 -5.888 417 HA PHE 52 HA PHE 52 2.689 1.446 -6.913 418 HB2 PHE 52 2HB PHE 52 0.873 1.144 -5.214 419 HB3 PHE 52 1HB PHE 52 -0.298 1.221 -6.510 420 HD1 PHE 52 1HD PHE 52 2.645 -0.708 -5.342 421 HD2 PHE 52 2HD PHE 52 -1.004 -0.740 -7.518 422 HE1 PHE 52 1HE PHE 52 2.783 -3.150 -5.533 423 HE2 PHE 52 2HE PHE 52 -0.867 -3.182 -7.724 424 HZ PHE 52 HZ PHE 52 1.028 -4.393 -6.727 425 H LEU 53 H LEU 53 -0.072 2.992 -8.416 426 HA LEU 53 HA LEU 53 0.313 1.496 -10.885 427 HB2 LEU 53 2HB LEU 53 -1.809 3.277 -9.843 428 HB3 LEU 53 1HB LEU 53 -1.604 3.212 -11.575 429 HG LEU 53 HG LEU 53 -2.064 0.817 -11.570 430 HD11 LEU 53 1HD1 LEU 53 -2.874 -0.295 -9.604 431 HD12 LEU 53 2HD1 LEU 53 -2.382 1.088 -8.594 432 HD13 LEU 53 3HD1 LEU 53 -1.178 0.141 -9.499 433 HD21 LEU 53 3HD2 LEU 53 -3.929 2.288 -11.823 434 HD22 LEU 53 1HD2 LEU 53 -4.093 2.420 -10.061 435 HD23 LEU 53 2HD2 LEU 53 -4.359 0.867 -10.854 436 H GLY 54 H GLY 54 1.156 4.575 -9.596 437 HA2 GLY 54 2HA GLY 54 2.434 6.281 -10.600 438 HA3 GLY 54 1HA GLY 54 2.360 5.393 -12.126 439 H SER 55 H SER 55 -0.013 6.644 -9.911 440 HA SER 55 HA SER 55 -1.753 7.427 -12.095 441 HB2 SER 55 2HB SER 55 -2.491 5.847 -10.350 442 HB3 SER 55 1HB SER 55 -2.090 7.097 -9.164 443 HG SER 55 HG SER 55 -3.882 7.821 -9.358 444 H LYS 56 H LYS 56 -3.289 9.123 -10.970 445 HA LYS 56 HA LYS 56 -2.712 11.735 -11.520 446 HB2 LYS 56 2HB LYS 56 -4.370 10.995 -9.137 447 HB3 LYS 56 1HB LYS 56 -4.552 12.365 -10.200 448 HG2 LYS 56 2HG LYS 56 -5.450 11.021 -11.925 449 HG3 LYS 56 1HG LYS 56 -4.993 9.532 -11.097 450 HD2 LYS 56 2HD LYS 56 -6.906 11.529 -9.885 451 HD3 LYS 56 1HD LYS 56 -7.448 10.234 -10.942 452 HE2 LYS 56 2HE LYS 56 -7.749 9.572 -8.606 453 HE3 LYS 56 1HE LYS 56 -6.532 8.563 -9.355 454 HZ1 LYS 56 3HZ LYS 56 -4.829 9.608 -8.125 455 HZ2 LYS 56 1HZ LYS 56 -6.002 9.292 -7.041 456 HZ3 LYS 56 2HZ LYS 56 -5.765 10.878 -7.566 457 H SER 57 H SER 57 -2.623 10.255 -8.293 458 HA SER 57 HA SER 57 -1.579 12.709 -7.191 459 HB2 SER 57 2HB SER 57 -2.673 10.250 -5.822 460 HB3 SER 57 1HB SER 57 -2.317 11.805 -5.066 461 HG SER 57 HG SER 57 -4.234 12.373 -5.596 462 H ALA 58 H ALA 58 -0.077 10.193 -8.667 463 HA ALA 58 HA ALA 58 1.665 9.587 -6.539 464 HB1 ALA 58 1HB ALA 58 1.006 7.929 -8.269 465 HB2 ALA 58 2HB ALA 58 2.719 8.159 -7.958 466 HB3 ALA 58 3HB ALA 58 1.998 8.857 -9.424 467 H LYS 59 H LYS 59 2.513 11.397 -5.970 468 HA LYS 59 HA LYS 59 4.330 12.640 -7.890 469 HB2 LYS 59 2HB LYS 59 2.796 13.883 -5.606 470 HB3 LYS 59 1HB LYS 59 4.087 14.711 -6.471 471 HG2 LYS 59 2HG LYS 59 2.843 14.520 -8.559 472 HG3 LYS 59 1HG LYS 59 1.564 13.642 -7.728 473 HD2 LYS 59 2HD LYS 59 1.046 15.594 -6.398 474 HD3 LYS 59 1HD LYS 59 2.406 16.471 -7.103 475 HE2 LYS 59 2HE LYS 59 0.289 17.127 -8.154 476 HE3 LYS 59 1HE LYS 59 1.364 16.345 -9.309 477 HZ1 LYS 59 3HZ LYS 59 -0.941 15.050 -7.941 478 HZ2 LYS 59 1HZ LYS 59 0.061 14.287 -9.056 479 HZ3 LYS 59 2HZ LYS 59 -0.909 15.548 -9.549 480 H ILE 60 H ILE 60 4.650 10.332 -6.122 481 HA ILE 60 HA ILE 60 6.665 11.463 -4.413 482 HB ILE 60 HB ILE 60 5.006 9.015 -3.959 483 HG12 ILE 60 2HG1 ILE 60 4.890 9.927 -1.592 484 HG13 ILE 60 1HG1 ILE 60 5.783 11.322 -2.163 485 HG21 ILE 60 1HG2 ILE 60 7.162 8.053 -3.670 486 HG22 ILE 60 2HG2 ILE 60 6.415 8.247 -2.083 487 HG23 ILE 60 3HG2 ILE 60 7.667 9.369 -2.611 488 HD11 ILE 60 3HD1 ILE 60 3.046 10.446 -3.071 489 HD12 ILE 60 1HD1 ILE 60 3.937 11.829 -3.711 490 HD13 ILE 60 2HD1 ILE 60 3.428 11.808 -2.022 491 H GLN 61 H GLN 61 6.286 8.485 -6.345 492 HA GLN 61 HA GLN 61 7.642 7.365 -7.712 493 HB2 GLN 61 2HB GLN 61 9.341 9.874 -7.758 494 HB3 GLN 61 1HB GLN 61 9.617 8.482 -8.795 495 HG2 GLN 61 2HG GLN 61 8.420 9.975 -10.145 496 HG3 GLN 61 1HG GLN 61 7.204 8.825 -9.599 497 HE21 GLN 61 1HE2 GLN 61 5.368 10.116 -9.650 498 HE22 GLN 61 2HE2 GLN 61 5.232 11.514 -8.696 499 H SER 62 H SER 62 8.649 8.054 -4.734 500 HA SER 62 HA SER 62 11.158 6.597 -4.892 501 HB2 SER 62 2HB SER 62 9.835 7.799 -2.463 502 HB3 SER 62 1HB SER 62 11.516 7.289 -2.624 503 HG SER 62 HG SER 62 10.963 9.057 -4.562 504 H GLY 63 H GLY 63 10.211 4.564 -5.429 505 HA2 GLY 63 2HA GLY 63 10.063 2.409 -4.408 506 HA3 GLY 63 1HA GLY 63 9.236 3.158 -3.049 507 H ILE 64 H ILE 64 8.651 0.957 -5.062 508 HA ILE 64 HA ILE 64 7.016 0.040 -6.244 509 HB ILE 64 HB ILE 64 4.650 0.314 -5.344 510 HG12 ILE 64 2HG1 ILE 64 6.138 1.656 -3.081 511 HG13 ILE 64 1HG1 ILE 64 4.950 2.439 -4.120 512 HG21 ILE 64 1HG2 ILE 64 6.804 -0.820 -3.631 513 HG22 ILE 64 2HG2 ILE 64 5.955 -1.596 -4.975 514 HG23 ILE 64 3HG2 ILE 64 5.078 -1.183 -3.498 515 HD11 ILE 64 3HD1 ILE 64 4.440 0.159 -2.232 516 HD12 ILE 64 1HD1 ILE 64 3.223 0.934 -3.246 517 HD13 ILE 64 2HD1 ILE 64 4.002 1.850 -1.947 518 H PHE 65 H PHE 65 7.622 2.795 -7.120 519 HA PHE 65 HA PHE 65 5.173 3.743 -8.190 520 HB2 PHE 65 2HB PHE 65 7.151 5.165 -7.604 521 HB3 PHE 65 1HB PHE 65 7.976 4.587 -9.032 522 HD1 PHE 65 2HD PHE 65 6.940 5.107 -11.308 523 HD2 PHE 65 1HD PHE 65 5.529 6.754 -7.668 524 HE1 PHE 65 2HE PHE 65 5.717 6.847 -12.557 525 HE2 PHE 65 1HE PHE 65 4.338 8.400 -8.800 526 HZ PHE 65 HZ PHE 65 4.390 8.523 -11.320 527 H GLY 66 H GLY 66 4.180 2.514 -9.578 528 HA2 GLY 66 2HA GLY 66 3.785 1.770 -11.751 529 HA3 GLY 66 1HA GLY 66 5.507 1.899 -12.086 530 H LYS 67 H LYS 67 4.864 0.263 -9.136 531 HA LYS 67 HA LYS 67 5.985 -2.138 -10.041 532 HB2 LYS 67 2HB LYS 67 5.597 -0.953 -7.662 533 HB3 LYS 67 1HB LYS 67 4.248 -2.065 -7.641 534 HG2 LYS 67 2HG LYS 67 7.143 -2.783 -7.956 535 HG3 LYS 67 1HG LYS 67 6.178 -2.907 -6.490 536 HD2 LYS 67 2HD LYS 67 5.704 -4.472 -9.052 537 HD3 LYS 67 1HD LYS 67 6.521 -5.110 -7.631 538 HE2 LYS 67 2HE LYS 67 3.638 -4.190 -7.762 539 HE3 LYS 67 1HE LYS 67 4.183 -5.862 -7.784 540 HZ1 LYS 67 3HZ LYS 67 5.070 -5.552 -5.535 541 HZ2 LYS 67 1HZ LYS 67 3.425 -5.259 -5.625 542 HZ3 LYS 67 2HZ LYS 67 4.480 -3.961 -5.499 543 H GLY 68 H GLY 68 2.685 -0.949 -9.704 544 HA2 GLY 68 2HA GLY 68 1.764 -3.506 -10.786 545 HA3 GLY 68 1HA GLY 68 0.992 -2.821 -9.364 546 H SER 69 H SER 69 2.126 -1.333 -12.371 547 HA SER 69 HA SER 69 -0.179 0.291 -12.596 548 HB2 SER 69 2HB SER 69 1.919 -0.361 -14.667 549 HB3 SER 69 1HB SER 69 0.816 1.020 -14.688 550 HG SER 69 HG SER 69 1.889 1.949 -13.090 551 H ALA 70 H ALA 70 -0.041 -2.911 -12.990 552 HA ALA 70 HA ALA 70 -1.863 -2.925 -15.246 553 HB1 ALA 70 1HB ALA 70 -1.491 -5.352 -15.382 554 HB2 ALA 70 2HB ALA 70 -0.464 -5.272 -13.952 555 HB3 ALA 70 3HB ALA 70 0.039 -4.476 -15.444 556 H TYR 71 H TYR 71 -1.965 -2.576 -12.105 557 HA TYR 71 HA TYR 71 -4.381 -4.159 -11.590 558 HB2 TYR 71 2HB TYR 71 -2.721 -2.278 -9.906 559 HB3 TYR 71 1HB TYR 71 -4.249 -2.912 -9.375 560 HD1 TYR 71 2HD TYR 71 -1.012 -4.307 -10.725 561 HD2 TYR 71 1HD TYR 71 -4.115 -4.600 -7.824 562 HE1 TYR 71 2HE TYR 71 0.164 -6.191 -9.657 563 HE2 TYR 71 1HE TYR 71 -2.942 -6.476 -6.745 564 HH TYR 71 HH TYR 71 0.263 -7.268 -7.367 565 H SER 72 H SER 72 -6.343 -2.963 -11.033 566 HA SER 72 HA SER 72 -6.366 -0.211 -11.910 567 HB2 SER 72 2HB SER 72 -8.347 -1.656 -12.400 568 HB3 SER 72 1HB SER 72 -8.507 -2.015 -10.687 569 HG SER 72 HG SER 72 -9.922 -0.463 -11.513 570 H ARG 73 H ARG 73 -7.385 1.268 -10.140 571 HA ARG 73 HA ARG 73 -5.579 1.098 -7.969 572 HB2 ARG 73 2HB ARG 73 -6.703 2.967 -6.915 573 HB3 ARG 73 1HB ARG 73 -6.377 3.291 -8.613 574 HG2 ARG 73 2HG ARG 73 -8.664 3.154 -9.153 575 HG3 ARG 73 1HG ARG 73 -9.055 2.385 -7.607 576 HD2 ARG 73 2HD ARG 73 -7.927 5.171 -7.854 577 HD3 ARG 73 1HD ARG 73 -9.650 4.822 -7.728 578 HE ARG 73 HE ARG 73 -9.137 3.758 -5.558 579 HH11 ARG 73 1HH1 ARG 73 -6.638 5.988 -6.732 580 HH12 ARG 73 2HH1 ARG 73 -6.187 6.552 -5.213 581 HH21 ARG 73 1HH2 ARG 73 -8.589 4.468 -3.511 582 HH22 ARG 73 2HH2 ARG 73 -7.417 5.657 -3.189 583 H HIS 74 H HIS 74 -8.650 -0.083 -8.514 584 HA HIS 74 HA HIS 74 -9.623 -0.382 -5.906 585 HB2 HIS 74 2HB HIS 74 -10.204 -2.088 -8.306 586 HB3 HIS 74 1HB HIS 74 -11.033 -2.238 -6.765 587 HD1 HIS 74 1HD HIS 74 -12.110 -1.366 -9.638 588 HD2 HIS 74 2HD HIS 74 -11.521 1.020 -6.300 589 HE1 HIS 74 1HE HIS 74 -13.660 0.615 -9.944 590 HE2 HIS 74 2HE HIS 74 -13.496 1.836 -7.731 591 H ASN 75 H ASN 75 -8.093 -3.038 -7.858 592 HA ASN 75 HA ASN 75 -7.802 -4.444 -5.475 593 HB2 ASN 75 2HB ASN 75 -6.942 -5.082 -8.208 594 HB3 ASN 75 1HB ASN 75 -6.063 -5.884 -6.903 595 HD21 ASN 75 1HD2 ASN 75 -9.206 -5.360 -8.282 596 HD22 ASN 75 2HD2 ASN 75 -9.940 -6.776 -7.603 597 H ALA 76 H ALA 76 -5.704 -2.149 -6.767 598 HA ALA 76 HA ALA 76 -3.557 -2.766 -5.062 599 HB1 ALA 76 1HB ALA 76 -3.362 -1.053 -6.798 600 HB2 ALA 76 2HB ALA 76 -3.015 -0.329 -5.223 601 HB3 ALA 76 3HB ALA 76 -4.588 -0.083 -5.993 602 H GLU 77 H GLU 77 -6.416 -0.694 -4.591 603 HA GLU 77 HA GLU 77 -6.097 -0.011 -1.910 604 HB2 GLU 77 2HB GLU 77 -8.664 -0.466 -3.459 605 HB3 GLU 77 1HB GLU 77 -8.573 0.322 -1.892 606 HG2 GLU 77 2HG GLU 77 -7.322 2.133 -2.805 607 HG3 GLU 77 1HG GLU 77 -7.158 1.306 -4.350 608 H ARG 78 H ARG 78 -7.546 -2.859 -3.353 609 HA ARG 78 HA ARG 78 -8.892 -3.991 -1.101 610 HB2 ARG 78 2HB ARG 78 -7.473 -5.625 -3.208 611 HB3 ARG 78 1HB ARG 78 -8.822 -6.129 -2.222 612 HG2 ARG 78 2HG ARG 78 -9.084 -3.938 -4.222 613 HG3 ARG 78 1HG ARG 78 -9.132 -5.636 -4.720 614 HD2 ARG 78 2HD ARG 78 -11.086 -5.863 -3.186 615 HD3 ARG 78 1HD ARG 78 -11.018 -4.105 -2.954 616 HE ARG 78 HE ARG 78 -11.312 -3.831 -5.331 617 HH11 ARG 78 1HH1 ARG 78 -12.175 -7.039 -4.089 618 HH12 ARG 78 2HH1 ARG 78 -13.106 -7.477 -5.441 619 HH21 ARG 78 1HH2 ARG 78 -12.549 -4.499 -7.325 620 HH22 ARG 78 2HH2 ARG 78 -13.305 -5.976 -7.314 621 H LEU 79 H LEU 79 -5.622 -4.074 -2.276 622 HA LEU 79 HA LEU 79 -4.768 -6.287 -0.695 623 HB2 LEU 79 2HB LEU 79 -3.974 -5.113 -2.913 624 HB3 LEU 79 1HB LEU 79 -2.860 -4.405 -1.761 625 HG LEU 79 HG LEU 79 -3.376 -7.270 -2.101 626 HD11 LEU 79 1HD1 LEU 79 -1.141 -7.159 -3.239 627 HD12 LEU 79 2HD1 LEU 79 -1.299 -5.387 -2.900 628 HD13 LEU 79 3HD1 LEU 79 -2.467 -6.178 -3.989 629 HD21 LEU 79 3HD2 LEU 79 -2.457 -6.805 0.083 630 HD22 LEU 79 1HD2 LEU 79 -1.159 -5.848 -0.638 631 HD23 LEU 79 2HD2 LEU 79 -1.229 -7.590 -0.916 632 H PHE 80 H PHE 80 -4.157 -2.816 -0.703 633 HA PHE 80 HA PHE 80 -2.526 -2.878 1.589 634 HB2 PHE 80 2HB PHE 80 -4.212 -0.662 0.445 635 HB3 PHE 80 1HB PHE 80 -3.048 -0.415 1.758 636 HD1 PHE 80 1HD PHE 80 -0.596 -1.299 1.162 637 HD2 PHE 80 2HD PHE 80 -3.578 -0.256 -1.661 638 HE1 PHE 80 1HE PHE 80 1.149 -0.939 -0.544 639 HE2 PHE 80 2HE PHE 80 -1.855 0.111 -3.367 640 HZ PHE 80 HZ PHE 80 0.486 -0.219 -2.834 641 H LYS 81 H LYS 81 -5.769 -3.239 1.105 642 HA LYS 81 HA LYS 81 -6.352 -2.484 3.855 643 HB2 LYS 81 2HB LYS 81 -8.367 -3.504 1.864 644 HB3 LYS 81 1HB LYS 81 -8.731 -2.926 3.482 645 HG2 LYS 81 2HG LYS 81 -7.672 -1.351 1.161 646 HG3 LYS 81 1HG LYS 81 -9.248 -1.216 1.948 647 HD2 LYS 81 2HD LYS 81 -6.603 -0.536 3.260 648 HD3 LYS 81 1HD LYS 81 -7.623 0.633 2.449 649 HE2 LYS 81 2HE LYS 81 -9.442 0.069 4.066 650 HE3 LYS 81 1HE LYS 81 -8.286 -0.951 4.927 651 HZ1 LYS 81 3HZ LYS 81 -8.277 1.267 5.982 652 HZ2 LYS 81 1HZ LYS 81 -7.965 1.999 4.496 653 HZ3 LYS 81 2HZ LYS 81 -6.871 0.998 5.270 654 H LYS 82 H LYS 82 -5.797 -5.256 1.880 655 HA LYS 82 HA LYS 82 -6.827 -7.254 3.635 656 HB2 LYS 82 2HB LYS 82 -6.340 -7.608 1.209 657 HB3 LYS 82 1HB LYS 82 -4.640 -7.331 1.528 658 HG2 LYS 82 2HG LYS 82 -5.047 -9.686 1.250 659 HG3 LYS 82 1HG LYS 82 -4.600 -9.368 2.923 660 HD2 LYS 82 2HD LYS 82 -6.875 -9.569 3.639 661 HD3 LYS 82 1HD LYS 82 -7.450 -9.626 1.971 662 HE2 LYS 82 2HE LYS 82 -7.458 -11.880 2.840 663 HE3 LYS 82 1HE LYS 82 -6.158 -11.710 1.662 664 HZ1 LYS 82 3HZ LYS 82 -5.404 -12.947 3.482 665 HZ2 LYS 82 1HZ LYS 82 -5.767 -11.750 4.629 666 HZ3 LYS 82 2HZ LYS 82 -4.610 -11.421 3.550 667 H LEU 83 H LEU 83 -3.764 -5.761 2.922 668 HA LEU 83 HA LEU 83 -2.116 -6.986 4.719 669 HB2 LEU 83 2HB LEU 83 -2.064 -4.224 3.659 670 HB3 LEU 83 1HB LEU 83 -0.771 -4.978 4.583 671 HG LEU 83 HG LEU 83 -1.866 -6.040 2.019 672 HD11 LEU 83 1HD1 LEU 83 0.247 -5.276 1.078 673 HD12 LEU 83 2HD1 LEU 83 0.603 -4.543 2.668 674 HD13 LEU 83 3HD1 LEU 83 -0.780 -3.966 1.707 675 HD21 LEU 83 3HD2 LEU 83 -0.931 -7.815 3.356 676 HD22 LEU 83 1HD2 LEU 83 0.517 -6.849 3.671 677 HD23 LEU 83 2HD2 LEU 83 0.174 -7.425 2.044 678 H ILE 84 H ILE 84 -4.190 -4.087 5.285 679 HA ILE 84 HA ILE 84 -3.166 -3.894 7.939 680 HB ILE 84 HB ILE 84 -4.771 -2.082 8.333 681 HG12 ILE 84 2HG1 ILE 84 -5.969 -1.213 6.134 682 HG13 ILE 84 1HG1 ILE 84 -5.850 -2.906 5.672 683 HG21 ILE 84 1HG2 ILE 84 -2.652 -1.530 7.413 684 HG22 ILE 84 2HG2 ILE 84 -3.874 -0.488 6.682 685 HG23 ILE 84 3HG2 ILE 84 -3.222 -1.854 5.777 686 HD11 ILE 84 3HD1 ILE 84 -8.037 -2.418 6.610 687 HD12 ILE 84 1HD1 ILE 84 -7.281 -1.843 8.099 688 HD13 ILE 84 2HD1 ILE 84 -7.145 -3.537 7.644 689 H LEU 85 H LEU 85 -5.654 -5.714 6.545 690 HA LEU 85 HA LEU 85 -7.054 -6.099 8.967 691 HB2 LEU 85 2HB LEU 85 -7.193 -7.412 6.294 692 HB3 LEU 85 1HB LEU 85 -8.078 -8.073 7.660 693 HG LEU 85 HG LEU 85 -8.271 -5.235 6.895 694 HD11 LEU 85 1HD1 LEU 85 -8.976 -6.610 4.923 695 HD12 LEU 85 2HD1 LEU 85 -10.396 -5.868 5.660 696 HD13 LEU 85 3HD1 LEU 85 -10.026 -7.565 5.968 697 HD21 LEU 85 3HD2 LEU 85 -10.077 -7.061 8.464 698 HD22 LEU 85 1HD2 LEU 85 -10.460 -5.393 8.050 699 HD23 LEU 85 2HD2 LEU 85 -9.083 -5.743 9.086 700 H ASP 86 H ASP 86 -4.850 -8.005 6.939 701 HA ASP 86 HA ASP 86 -4.556 -10.229 8.680 702 HB2 ASP 86 2HB ASP 86 -2.588 -9.167 6.625 703 HB3 ASP 86 1HB ASP 86 -2.512 -10.752 7.377 704 H LYS 87 H LYS 87 -2.958 -7.185 8.234 705 HA LYS 87 HA LYS 87 -2.094 -5.800 9.616 706 HB2 LYS 87 2HB LYS 87 -2.255 -7.920 11.673 707 HB3 LYS 87 1HB LYS 87 -1.449 -6.360 11.897 708 HG2 LYS 87 2HG LYS 87 -3.334 -5.150 11.281 709 HG3 LYS 87 1HG LYS 87 -4.304 -6.607 10.984 710 HD2 LYS 87 2HD LYS 87 -4.216 -7.050 13.386 711 HD3 LYS 87 1HD LYS 87 -3.194 -5.618 13.613 712 HE2 LYS 87 2HE LYS 87 -6.043 -5.711 12.639 713 HE3 LYS 87 1HE LYS 87 -5.424 -4.930 14.098 714 HZ1 LYS 87 3HZ LYS 87 -4.064 -3.488 12.556 715 HZ2 LYS 87 1HZ LYS 87 -5.740 -3.208 12.436 716 HZ3 LYS 87 2HZ LYS 87 -4.929 -4.131 11.282 717 H ILE 88 H ILE 88 -0.793 -7.575 7.923 718 HA ILE 88 HA ILE 88 1.906 -7.516 8.761 719 HB ILE 88 HB ILE 88 0.436 -7.515 6.165 720 HG12 ILE 88 2HG1 ILE 88 1.778 -9.667 5.777 721 HG13 ILE 88 1HG1 ILE 88 2.346 -9.465 7.428 722 HG21 ILE 88 1HG2 ILE 88 2.335 -6.098 5.677 723 HG22 ILE 88 2HG2 ILE 88 2.713 -7.683 4.968 724 HG23 ILE 88 3HG2 ILE 88 3.400 -7.197 6.531 725 HD11 ILE 88 3HD1 ILE 88 0.554 -11.079 7.307 726 HD12 ILE 88 1HD1 ILE 88 -0.503 -9.870 6.575 727 HD13 ILE 88 2HD1 ILE 88 0.058 -9.661 8.233 728 H LEU 89 H LEU 89 -0.421 -5.333 7.344 729 HA LEU 89 HA LEU 89 1.311 -3.048 7.928 730 HB2 LEU 89 2HB LEU 89 -0.879 -3.502 5.931 731 HB3 LEU 89 1HB LEU 89 -0.648 -1.903 6.573 732 HG LEU 89 HG LEU 89 0.416 -2.235 4.358 733 HD11 LEU 89 1HD1 LEU 89 2.350 -1.720 6.587 734 HD12 LEU 89 2HD1 LEU 89 1.140 -0.603 6.014 735 HD13 LEU 89 3HD1 LEU 89 2.456 -1.101 4.925 736 HD21 LEU 89 3HD2 LEU 89 2.318 -4.002 5.863 737 HD22 LEU 89 1HD2 LEU 89 2.453 -3.542 4.167 738 HD23 LEU 89 2HD2 LEU 89 1.130 -4.594 4.716 739 H ASP 90 H ASP 90 0.324 -1.330 9.082 740 HA ASP 90 HA ASP 90 -2.287 -1.783 10.218 741 HB2 ASP 90 2HB ASP 90 0.233 -1.681 11.840 742 HB3 ASP 90 1HB ASP 90 -1.184 -0.852 12.469 743 H GLU 91 H GLU 91 -3.290 -0.092 9.663 744 HA GLU 91 HA GLU 91 -1.836 2.361 9.185 745 HB2 GLU 91 2HB GLU 91 -3.970 3.132 8.159 746 HB3 GLU 91 1HB GLU 91 -3.308 1.676 7.435 747 HG2 GLU 91 2HG GLU 91 -4.920 0.328 8.714 748 HG3 GLU 91 1HG GLU 91 -5.597 1.809 9.389 749 H ASP 92 H ASP 92 -2.238 4.284 10.099 750 HA ASP 92 HA ASP 92 -3.544 4.160 12.678 751 HB2 ASP 92 2HB ASP 92 -2.207 6.181 13.286 752 HB3 ASP 92 1HB ASP 92 -1.204 4.808 12.874 753 H LEU 93 H LEU 93 -5.415 4.869 12.786 754 HA LEU 93 HA LEU 93 -6.611 6.461 10.724 755 HB2 LEU 93 2HB LEU 93 -7.773 5.650 13.385 756 HB3 LEU 93 1HB LEU 93 -8.627 6.274 11.988 757 HG LEU 93 HG LEU 93 -7.224 3.596 12.102 758 HD11 LEU 93 1HD1 LEU 93 -9.162 3.638 13.564 759 HD12 LEU 93 2HD1 LEU 93 -9.476 2.643 12.141 760 HD13 LEU 93 3HD1 LEU 93 -10.157 4.265 12.252 761 HD21 LEU 93 3HD2 LEU 93 -8.426 3.148 10.007 762 HD22 LEU 93 1HD2 LEU 93 -7.310 4.504 9.844 763 HD23 LEU 93 2HD2 LEU 93 -9.039 4.803 10.013 764 H TYR 94 H TYR 94 -6.332 8.621 10.677 765 HA TYR 94 HA TYR 94 -6.306 9.984 13.236 766 HB2 TYR 94 2HB TYR 94 -4.092 10.165 12.227 767 HB3 TYR 94 1HB TYR 94 -4.805 10.701 10.705 768 HD1 TYR 94 2HD TYR 94 -4.398 11.644 14.273 769 HD2 TYR 94 1HD TYR 94 -5.208 12.991 10.323 770 HE1 TYR 94 2HE TYR 94 -4.270 13.976 15.051 771 HE2 TYR 94 1HE TYR 94 -5.086 15.330 11.087 772 HH TYR 94 HH TYR 94 -3.829 16.211 14.101 773 H ILE 95 H ILE 95 -8.338 10.606 13.346 774 HA ILE 95 HA ILE 95 -9.165 12.110 11.103 775 HB ILE 95 HB ILE 95 -10.188 9.644 11.517 776 HG12 ILE 95 2HG1 ILE 95 -10.375 11.398 9.696 777 HG13 ILE 95 1HG1 ILE 95 -11.661 10.150 9.765 778 HG21 ILE 95 1HG2 ILE 95 -12.420 9.749 12.375 779 HG22 ILE 95 2HG2 ILE 95 -12.257 11.476 12.664 780 HG23 ILE 95 3HG2 ILE 95 -11.284 10.319 13.617 781 HD11 ILE 95 3HD1 ILE 95 -11.600 13.078 10.403 782 HD12 ILE 95 1HD1 ILE 95 -12.902 12.024 10.988 783 HD13 ILE 95 2HD1 ILE 95 -12.607 12.210 9.257 784 H ASN 96 H ASN 96 -10.555 13.860 11.598 785 HA ASN 96 HA ASN 96 -10.232 14.627 14.413 786 HB2 ASN 96 2HB ASN 96 -10.459 17.038 13.639 787 HB3 ASN 96 1HB ASN 96 -9.124 16.166 12.931 788 HD21 ASN 96 1HD2 ASN 96 -9.272 17.891 11.604 789 HD22 ASN 96 2HD2 ASN 96 -10.202 17.813 10.129 790 H ALA 97 H ALA 97 -11.935 16.502 14.890 791 HA ALA 97 HA ALA 97 -14.432 15.114 15.165 792 HB1 ALA 97 1HB ALA 97 -13.443 16.369 16.990 793 HB2 ALA 97 2HB ALA 97 -15.001 17.086 16.539 794 HB3 ALA 97 3HB ALA 97 -13.484 17.828 16.008 795 H ASN 98 H ASN 98 -13.384 16.376 12.535 796 HA ASN 98 HA ASN 98 -15.782 17.966 11.887 797 HB2 ASN 98 2HB ASN 98 -13.022 18.070 10.649 798 HB3 ASN 98 1HB ASN 98 -14.419 18.914 10.021 799 HD21 ASN 98 1HD2 ASN 98 -13.483 20.850 10.171 800 HD22 ASN 98 2HD2 ASN 98 -13.156 21.657 11.677 801 H ASP 99 H ASP 99 -14.497 14.988 11.673 802 HA ASP 99 HA ASP 99 -14.416 13.232 10.290 803 HB2 ASP 99 2HB ASP 99 -16.853 14.634 9.147 804 HB3 ASP 99 1HB ASP 99 -16.333 13.048 8.585 805 H GLN 100 H GLN 100 -12.840 15.455 9.679 806 HA GLN 100 HA GLN 100 -12.469 15.214 6.768 807 HB2 GLN 100 2HB GLN 100 -12.425 17.520 8.535 808 HB3 GLN 100 1HB GLN 100 -11.635 17.537 6.945 809 HG2 GLN 100 2HG GLN 100 -13.759 17.196 5.804 810 HG3 GLN 100 1HG GLN 100 -14.550 16.876 7.352 811 HE21 GLN 100 1HE2 GLN 100 -15.352 18.459 8.470 812 HE22 GLN 100 2HE2 GLN 100 -15.365 20.133 7.980 813 H ALA 101 H ALA 101 -11.059 13.642 7.727 814 HA ALA 101 HA ALA 101 -8.379 14.543 7.591 815 HB1 ALA 101 1HB ALA 101 -9.514 13.635 10.162 816 HB2 ALA 101 2HB ALA 101 -8.354 14.935 9.867 817 HB3 ALA 101 3HB ALA 101 -7.824 13.246 9.819 818 H ILE 102 H ILE 102 -6.943 12.208 8.194 819 HA ILE 102 HA ILE 102 -8.347 10.209 6.632 820 HB ILE 102 HB ILE 102 -7.343 11.750 4.973 821 HG12 ILE 102 2HG1 ILE 102 -5.976 9.035 5.016 822 HG13 ILE 102 1HG1 ILE 102 -7.592 9.346 4.404 823 HG21 ILE 102 1HG2 ILE 102 -4.702 10.982 6.208 824 HG22 ILE 102 2HG2 ILE 102 -5.456 12.573 6.227 825 HG23 ILE 102 3HG2 ILE 102 -4.897 11.883 4.703 826 HD11 ILE 102 3HD1 ILE 102 -6.647 10.767 2.653 827 HD12 ILE 102 1HD1 ILE 102 -5.994 9.129 2.595 828 HD13 ILE 102 2HD1 ILE 102 -5.027 10.442 3.271 829 H ALA 103 H ALA 103 -7.255 8.154 6.564 830 HA ALA 103 HA ALA 103 -5.670 7.603 8.909 831 HB1 ALA 103 1HB ALA 103 -5.952 5.267 8.247 832 HB2 ALA 103 2HB ALA 103 -6.719 5.783 6.744 833 HB3 ALA 103 3HB ALA 103 -7.504 6.107 8.292 834 H TYR 104 H TYR 104 -3.565 7.129 8.899 835 HA TYR 104 HA TYR 104 -2.148 7.307 6.349 836 HB2 TYR 104 2HB TYR 104 -1.176 7.732 9.185 837 HB3 TYR 104 1HB TYR 104 -0.156 7.765 7.756 838 HD1 TYR 104 1HD TYR 104 -3.054 9.490 9.351 839 HD2 TYR 104 2HD TYR 104 0.157 9.750 6.577 840 HE1 TYR 104 1HE TYR 104 -3.462 11.905 9.111 841 HE2 TYR 104 2HE TYR 104 -0.247 12.159 6.327 842 HH TYR 104 HH TYR 104 -2.067 13.751 6.633 843 H VAL 105 H VAL 105 -0.130 5.880 6.353 844 HA VAL 105 HA VAL 105 -0.958 3.342 7.468 845 HB VAL 105 HB VAL 105 0.187 3.914 4.722 846 HG11 VAL 105 1HG1 VAL 105 1.496 2.011 5.666 847 HG12 VAL 105 2HG1 VAL 105 0.381 1.480 4.401 848 HG13 VAL 105 3HG1 VAL 105 -0.018 1.224 6.097 849 HG21 VAL 105 3HG2 VAL 105 -2.081 2.399 5.842 850 HG22 VAL 105 1HG2 VAL 105 -1.749 2.600 4.102 851 HG23 VAL 105 2HG2 VAL 105 -2.139 4.020 5.107 852 H MET 106 H MET 106 0.254 2.109 8.485 853 HA MET 106 HA MET 106 3.163 2.476 8.763 854 HB2 MET 106 2HB MET 106 1.131 2.285 11.003 855 HB3 MET 106 1HB MET 106 2.813 1.880 11.238 856 HG2 MET 106 2HG MET 106 1.786 4.577 10.401 857 HG3 MET 106 1HG MET 106 2.179 4.112 12.054 858 HE1 MET 106 3HE MET 106 3.504 6.651 11.231 859 HE2 MET 106 1HE MET 106 5.221 6.375 11.536 860 HE3 MET 106 2HE MET 106 4.016 5.772 12.673 861 H LEU 107 H LEU 107 3.731 0.402 10.397 862 HA LEU 107 HA LEU 107 2.177 -1.895 9.568 863 HB2 LEU 107 2HB LEU 107 4.175 -3.184 8.982 864 HB3 LEU 107 1HB LEU 107 4.058 -1.761 7.979 865 HG LEU 107 HG LEU 107 5.945 -1.980 10.338 866 HD11 LEU 107 1HD1 LEU 107 6.489 -3.660 8.640 867 HD12 LEU 107 2HD1 LEU 107 7.701 -2.381 8.683 868 HD13 LEU 107 3HD1 LEU 107 6.491 -2.406 7.401 869 HD21 LEU 107 3HD2 LEU 107 5.436 0.330 9.664 870 HD22 LEU 107 1HD2 LEU 107 5.873 -0.059 7.999 871 HD23 LEU 107 2HD2 LEU 107 7.100 -0.093 9.267 872 H GLY 108 H GLY 108 2.063 -3.483 11.241 873 HA2 GLY 108 2HA GLY 108 3.696 -2.860 13.579 874 HA3 GLY 108 1HA GLY 108 1.962 -2.723 13.736 875 H ASN 109 H ASN 109 0.704 -4.730 13.380 876 HA ASN 109 HA ASN 109 1.592 -6.459 15.406 877 HB2 ASN 109 2HB ASN 109 -0.702 -6.754 13.499 878 HB3 ASN 109 1HB ASN 109 -0.384 -7.895 14.785 879 HD21 ASN 109 1HD2 ASN 109 -1.296 -4.562 14.058 880 HD22 ASN 109 2HD2 ASN 109 -1.948 -4.250 15.619 881 H LYS 110 H LYS 110 1.382 -7.220 11.927 882 HA LYS 110 HA LYS 110 2.739 -9.742 12.585 883 HB2 LYS 110 2HB LYS 110 1.386 -8.981 9.998 884 HB3 LYS 110 1HB LYS 110 1.980 -10.561 10.423 885 HG2 LYS 110 2HG LYS 110 -0.368 -9.125 11.584 886 HG3 LYS 110 1HG LYS 110 -0.388 -10.535 10.539 887 HD2 LYS 110 2HD LYS 110 0.809 -11.768 12.372 888 HD3 LYS 110 1HD LYS 110 0.516 -10.358 13.400 889 HE2 LYS 110 2HE LYS 110 -1.527 -12.106 12.052 890 HE3 LYS 110 1HE LYS 110 -1.268 -11.920 13.791 891 HZ1 LYS 110 3HZ LYS 110 -3.197 -10.655 13.099 892 HZ2 LYS 110 1HZ LYS 110 -2.308 -9.898 11.883 893 HZ3 LYS 110 2HZ LYS 110 -1.973 -9.550 13.504 894 H ALA 111 H ALA 111 3.565 -6.746 11.812 895 HA ALA 111 HA ALA 111 5.165 -6.864 9.551 896 HB1 ALA 111 1HB ALA 111 6.264 -4.868 10.399 897 HB2 ALA 111 2HB ALA 111 5.555 -5.146 11.993 898 HB3 ALA 111 3HB ALA 111 4.518 -4.784 10.611 899 H GLN 112 H GLN 112 5.873 -7.899 12.827 900 HA GLN 112 HA GLN 112 8.668 -8.153 12.358 901 HB2 GLN 112 2HB GLN 112 8.843 -9.226 14.502 902 HB3 GLN 112 1HB GLN 112 7.662 -7.947 14.649 903 HG2 GLN 112 2HG GLN 112 6.574 -9.577 15.828 904 HG3 GLN 112 1HG GLN 112 5.995 -9.973 14.207 905 HE21 GLN 112 1HE2 GLN 112 6.580 -11.930 13.290 906 HE22 GLN 112 2HE2 GLN 112 7.570 -13.085 14.116 907 H THR 113 H THR 113 5.944 -10.119 11.641 908 HA THR 113 HA THR 113 7.444 -12.515 11.225 909 HB THR 113 HB THR 113 4.677 -11.915 10.178 910 HG1 THR 113 1HG THR 113 4.005 -12.635 12.310 911 HG21 THR 113 3HG2 THR 113 4.370 -14.315 10.610 912 HG22 THR 113 1HG2 THR 113 6.014 -14.416 11.247 913 HG23 THR 113 2HG2 THR 113 5.749 -14.045 9.545 914 H VAL 114 H VAL 114 6.487 -9.722 9.482 915 HA VAL 114 HA VAL 114 6.997 -10.599 6.826 916 HB VAL 114 HB VAL 114 7.367 -7.813 7.971 917 HG11 VAL 114 1HG1 VAL 114 8.354 -8.016 5.782 918 HG12 VAL 114 2HG1 VAL 114 6.913 -7.005 5.712 919 HG13 VAL 114 3HG1 VAL 114 6.853 -8.660 5.121 920 HG21 VAL 114 3HG2 VAL 114 4.863 -8.941 6.727 921 HG22 VAL 114 1HG2 VAL 114 5.125 -7.316 7.351 922 HG23 VAL 114 2HG2 VAL 114 5.126 -8.700 8.454 923 H LEU 115 H LEU 115 8.894 -9.265 9.421 924 HA LEU 115 HA LEU 115 11.366 -9.077 8.019 925 HB2 LEU 115 2HB LEU 115 10.867 -9.267 10.989 926 HB3 LEU 115 1HB LEU 115 12.344 -8.721 10.222 927 HG LEU 115 HG LEU 115 9.681 -7.346 10.066 928 HD11 LEU 115 1HD1 LEU 115 12.171 -6.627 11.623 929 HD12 LEU 115 2HD1 LEU 115 10.652 -7.203 12.304 930 HD13 LEU 115 3HD1 LEU 115 10.720 -5.633 11.505 931 HD21 LEU 115 3HD2 LEU 115 12.396 -6.485 9.054 932 HD22 LEU 115 1HD2 LEU 115 10.949 -5.475 9.072 933 HD23 LEU 115 2HD2 LEU 115 10.997 -6.925 8.074 934 H ASN 116 H ASN 116 9.788 -11.532 10.061 935 HA ASN 116 HA ASN 116 11.955 -13.372 10.045 936 HB2 ASN 116 2HB ASN 116 10.014 -13.395 11.653 937 HB3 ASN 116 1HB ASN 116 8.976 -13.889 10.326 938 HD21 ASN 116 1HD2 ASN 116 8.382 -15.802 11.303 939 HD22 ASN 116 2HD2 ASN 116 9.506 -17.116 11.484 940 H GLY 117 H GLY 117 9.739 -12.338 7.750 941 HA2 GLY 117 2HA GLY 117 9.973 -12.750 5.430 942 HA3 GLY 117 1HA GLY 117 10.775 -14.263 5.812 943 H ASN 118 H ASN 118 8.419 -14.593 7.766 944 HA ASN 118 HA ASN 118 6.977 -16.258 5.879 945 HB2 ASN 118 2HB ASN 118 7.825 -17.202 8.009 946 HB3 ASN 118 1HB ASN 118 6.746 -16.128 8.873 947 HD21 ASN 118 1HD2 ASN 118 5.630 -17.882 9.827 948 HD22 ASN 118 2HD2 ASN 118 4.532 -18.853 8.904 949 H LEU 119 H LEU 119 6.161 -14.108 5.064 950 HA LEU 119 HA LEU 119 3.560 -13.856 6.276 951 HB2 LEU 119 2HB LEU 119 3.418 -11.458 5.954 952 HB3 LEU 119 1HB LEU 119 4.899 -11.876 6.782 953 HG LEU 119 HG LEU 119 5.669 -10.241 5.465 954 HD11 LEU 119 1HD1 LEU 119 6.804 -11.109 3.436 955 HD12 LEU 119 2HD1 LEU 119 5.939 -12.637 3.810 956 HD13 LEU 119 3HD1 LEU 119 7.074 -11.969 4.967 957 HD21 LEU 119 3HD2 LEU 119 3.613 -9.639 4.356 958 HD22 LEU 119 1HD2 LEU 119 3.782 -10.999 3.245 959 HD23 LEU 119 2HD2 LEU 119 4.934 -9.666 3.188 960 H LYS 120 H LYS 120 3.056 -15.415 4.916 961 HA LYS 120 HA LYS 120 2.613 -14.541 2.207 962 HB2 LYS 120 2HB LYS 120 1.839 -16.824 1.632 963 HB3 LYS 120 1HB LYS 120 3.517 -16.684 2.081 964 HG2 LYS 120 2HG LYS 120 3.269 -17.919 4.011 965 HG3 LYS 120 1HG LYS 120 1.588 -17.433 4.227 966 HD2 LYS 120 2HD LYS 120 2.281 -19.141 1.875 967 HD3 LYS 120 1HD LYS 120 2.226 -19.895 3.467 968 HE2 LYS 120 2HE LYS 120 0.067 -20.096 2.266 969 HE3 LYS 120 1HE LYS 120 -0.085 -19.201 3.767 970 HZ1 LYS 120 3HZ LYS 120 -0.113 -17.122 2.415 971 HZ2 LYS 120 1HZ LYS 120 -1.368 -18.160 2.019 972 HZ3 LYS 120 2HZ LYS 120 -0.103 -18.067 0.989 973 H VAL 121 H VAL 121 0.966 -13.234 2.175 974 HA VAL 121 HA VAL 121 -1.490 -14.132 3.448 975 HB VAL 121 HB VAL 121 -2.410 -11.997 3.134 976 HG11 VAL 121 1HG1 VAL 121 -0.830 -10.451 4.152 977 HG12 VAL 121 2HG1 VAL 121 0.467 -11.620 3.859 978 HG13 VAL 121 3HG1 VAL 121 -0.881 -12.035 4.925 979 HG21 VAL 121 3HG2 VAL 121 -0.151 -11.417 1.243 980 HG22 VAL 121 1HG2 VAL 121 -1.363 -10.212 1.781 981 HG23 VAL 121 2HG2 VAL 121 -1.872 -11.669 0.908 982 H ASP 122 H ASP 122 -3.443 -13.637 2.104 983 HA ASP 122 HA ASP 122 -3.052 -14.761 -0.558 984 HB2 ASP 122 2HB ASP 122 -5.271 -15.585 -0.349 985 HB3 ASP 122 1HB ASP 122 -4.276 -16.083 1.039 986 H PHE 123 H PHE 123 -4.685 -13.990 -2.101 987 HA PHE 123 HA PHE 123 -5.863 -11.432 -1.520 988 HB2 PHE 123 2HB PHE 123 -3.520 -10.897 -2.047 989 HB3 PHE 123 1HB PHE 123 -3.698 -11.653 -3.626 990 HD1 PHE 123 2HD PHE 123 -5.445 -9.129 -1.536 991 HD2 PHE 123 1HD PHE 123 -3.975 -10.179 -5.379 992 HE1 PHE 123 2HE PHE 123 -6.205 -6.989 -2.410 993 HE2 PHE 123 1HE PHE 123 -4.727 -8.026 -6.261 994 HZ PHE 123 HZ PHE 123 -5.853 -6.428 -4.775 995 H MET 124 H MET 124 -6.719 -10.531 -3.632 996 HA MET 124 HA MET 124 -8.493 -12.475 -4.815 997 HB2 MET 124 2HB MET 124 -8.463 -9.443 -4.962 998 HB3 MET 124 1HB MET 124 -9.746 -10.490 -5.548 999 HG2 MET 124 2HG MET 124 -10.204 -11.219 -3.264 1000 HG3 MET 124 1HG MET 124 -8.902 -10.195 -2.672 1001 HE1 MET 124 3HE MET 124 -10.477 -9.046 -0.919 1002 HE2 MET 124 1HE MET 124 -11.790 -10.103 -1.437 1003 HE3 MET 124 2HE MET 124 -12.057 -8.364 -1.301 1004 H GLU 125 H GLU 125 -8.980 -11.750 -7.180 1005 HA GLU 125 HA GLU 125 -6.443 -11.951 -8.535 1006 HB2 GLU 125 2HB GLU 125 -9.263 -12.340 -9.562 1007 HB3 GLU 125 1HB GLU 125 -7.788 -12.673 -10.481 1008 HG2 GLU 125 2HG GLU 125 -7.080 -14.257 -8.737 1009 HG3 GLU 125 1HG GLU 125 -8.592 -13.981 -7.897 1010 H THR 126 H THR 126 -7.833 -10.720 -11.070 1011 HA THR 126 HA THR 126 -6.732 -8.159 -10.251 1012 HB THR 126 HB THR 126 -5.452 -9.250 -11.989 1013 HG1 THR 126 1HG THR 126 -6.704 -6.805 -12.522 1014 HG21 THR 126 3HG2 THR 126 -6.360 -9.598 -14.257 1015 HG22 THR 126 1HG2 THR 126 -7.957 -9.123 -13.678 1016 HG23 THR 126 2HG2 THR 126 -7.194 -10.588 -13.058 1017 H GLU 127 H GLU 127 -7.660 -6.298 -10.403 1018 HA GLU 127 HA GLU 127 -9.504 -5.298 -12.073 1019 HB2 GLU 127 2HB GLU 127 -11.075 -6.917 -10.713 1020 HB3 GLU 127 1HB GLU 127 -10.696 -5.948 -9.312 1021 HG2 GLU 127 2HG GLU 127 -12.025 -4.793 -11.769 1022 HG3 GLU 127 1HG GLU 127 -12.937 -5.547 -10.477 Start of MODEL 6 1 H1 CYS 1 1HT CYS 1 5.708 -23.392 -14.154 2 H2 CYS 1 2HT CYS 1 6.364 -24.453 -15.277 3 H3 CYS 1 3HT CYS 1 7.361 -23.268 -14.516 4 HA CYS 1 HA CYS 1 7.685 -25.471 -13.564 5 HB2 CYS 1 2HB CYS 1 6.182 -23.568 -11.743 6 HB3 CYS 1 1HB CYS 1 7.401 -24.747 -11.255 7 HG CYS 1 HG CYS 1 8.838 -22.482 -11.054 8 H LYS 2 H LYS 2 6.504 -26.980 -11.844 9 HA LYS 2 HA LYS 2 3.997 -27.676 -13.074 10 HB2 LYS 2 2HB LYS 2 5.634 -29.459 -12.550 11 HB3 LYS 2 1HB LYS 2 5.549 -29.038 -10.848 12 HG2 LYS 2 2HG LYS 2 3.147 -29.667 -10.859 13 HG3 LYS 2 1HG LYS 2 3.324 -30.185 -12.534 14 HD2 LYS 2 2HD LYS 2 4.988 -31.840 -11.861 15 HD3 LYS 2 1HD LYS 2 4.867 -31.296 -10.187 16 HE2 LYS 2 2HE LYS 2 2.497 -31.946 -10.160 17 HE3 LYS 2 1HE LYS 2 2.645 -32.525 -11.819 18 HZ1 LYS 2 3HZ LYS 2 4.130 -33.579 -9.475 19 HZ2 LYS 2 1HZ LYS 2 4.280 -34.143 -11.066 20 HZ3 LYS 2 2HZ LYS 2 2.818 -34.332 -10.231 21 H THR 3 H THR 3 2.893 -25.789 -12.415 22 HA THR 3 HA THR 3 1.179 -26.171 -10.316 23 HB THR 3 HB THR 3 3.099 -25.478 -8.853 24 HG1 THR 3 1HG THR 3 1.697 -24.525 -7.658 25 HG21 THR 3 3HG2 THR 3 4.310 -24.038 -10.435 26 HG22 THR 3 1HG2 THR 3 3.957 -23.160 -8.945 27 HG23 THR 3 2HG2 THR 3 2.990 -22.868 -10.391 28 H LYS 4 H LYS 4 -0.498 -24.674 -10.475 29 HA LYS 4 HA LYS 4 -0.336 -22.492 -12.354 30 HB2 LYS 4 2HB LYS 4 -2.131 -24.902 -12.762 31 HB3 LYS 4 1HB LYS 4 -2.446 -23.332 -13.486 32 HG2 LYS 4 2HG LYS 4 -0.437 -23.456 -14.800 33 HG3 LYS 4 1HG LYS 4 0.088 -24.905 -13.947 34 HD2 LYS 4 2HD LYS 4 -0.824 -25.376 -16.206 35 HD3 LYS 4 1HD LYS 4 -1.718 -26.184 -14.922 36 HE2 LYS 4 2HE LYS 4 -3.212 -25.234 -16.612 37 HE3 LYS 4 1HE LYS 4 -3.453 -24.490 -15.038 38 HZ1 LYS 4 3HZ LYS 4 -3.495 -22.832 -16.700 39 HZ2 LYS 4 1HZ LYS 4 -1.993 -23.304 -17.349 40 HZ3 LYS 4 2HZ LYS 4 -2.083 -22.616 -15.803 41 H ASP 5 H ASP 5 -1.527 -20.861 -11.542 42 HA ASP 5 HA ASP 5 -3.188 -21.511 -9.258 43 HB2 ASP 5 2HB ASP 5 -1.460 -19.859 -8.846 44 HB3 ASP 5 1HB ASP 5 -2.066 -18.863 -10.167 45 H TYR 6 H TYR 6 -5.221 -21.319 -9.228 46 HA TYR 6 HA TYR 6 -6.729 -19.571 -10.995 47 HB2 TYR 6 2HB TYR 6 -7.297 -22.544 -10.667 48 HB3 TYR 6 1HB TYR 6 -8.428 -21.401 -11.358 49 HD1 TYR 6 1HD TYR 6 -7.085 -19.923 -13.342 50 HD2 TYR 6 2HD TYR 6 -6.386 -23.959 -12.195 51 HE1 TYR 6 1HE TYR 6 -6.194 -20.401 -15.587 52 HE2 TYR 6 2HE TYR 6 -5.487 -24.443 -14.421 53 HH TYR 6 HH TYR 6 -5.915 -23.366 -16.786 54 H LYS 7 H LYS 7 -5.830 -19.718 -8.208 55 HA LYS 7 HA LYS 7 -8.309 -20.304 -6.694 56 HB2 LYS 7 2HB LYS 7 -5.515 -19.905 -5.643 57 HB3 LYS 7 1HB LYS 7 -6.885 -20.599 -4.812 58 HG2 LYS 7 2HG LYS 7 -6.696 -22.613 -6.129 59 HG3 LYS 7 1HG LYS 7 -5.403 -21.888 -7.091 60 HD2 LYS 7 2HD LYS 7 -5.209 -22.206 -4.093 61 HD3 LYS 7 1HD LYS 7 -4.689 -23.463 -5.201 62 HE2 LYS 7 2HE LYS 7 -2.783 -22.092 -4.405 63 HE3 LYS 7 1HE LYS 7 -2.983 -21.974 -6.140 64 HZ1 LYS 7 3HZ LYS 7 -4.135 -19.847 -4.408 65 HZ2 LYS 7 1HZ LYS 7 -3.616 -19.773 -5.999 66 HZ3 LYS 7 2HZ LYS 7 -2.516 -19.842 -4.679 67 H THR 8 H THR 8 -7.614 -18.815 -4.456 68 HA THR 8 HA THR 8 -7.524 -16.096 -5.191 69 HB THR 8 HB THR 8 -6.808 -17.411 -2.546 70 HG1 THR 8 1HG THR 8 -9.356 -16.615 -3.533 71 HG21 THR 8 3HG2 THR 8 -7.510 -15.293 -1.567 72 HG22 THR 8 1HG2 THR 8 -8.074 -14.728 -3.148 73 HG23 THR 8 2HG2 THR 8 -6.364 -14.967 -2.886 74 H ARG 9 H ARG 9 -5.562 -14.832 -4.755 75 HA ARG 9 HA ARG 9 -3.338 -16.392 -5.789 76 HB2 ARG 9 2HB ARG 9 -3.941 -13.508 -5.619 77 HB3 ARG 9 1HB ARG 9 -2.485 -14.143 -6.431 78 HG2 ARG 9 2HG ARG 9 -3.954 -15.381 -7.969 79 HG3 ARG 9 1HG ARG 9 -5.363 -14.738 -7.134 80 HD2 ARG 9 2HD ARG 9 -4.537 -12.448 -7.755 81 HD3 ARG 9 1HD ARG 9 -3.347 -13.250 -8.789 82 HE ARG 9 HE ARG 9 -5.479 -14.426 -9.637 83 HH11 ARG 9 1HH1 ARG 9 -4.948 -10.963 -9.078 84 HH12 ARG 9 2HH1 ARG 9 -6.311 -10.472 -10.003 85 HH21 ARG 9 1HH2 ARG 9 -7.381 -13.679 -10.930 86 HH22 ARG 9 2HH2 ARG 9 -7.714 -12.001 -10.990 87 H ASP 10 H ASP 10 -1.641 -16.858 -4.666 88 HA ASP 10 HA ASP 10 -1.423 -15.982 -1.958 89 HB2 ASP 10 2HB ASP 10 0.428 -17.738 -3.568 90 HB3 ASP 10 1HB ASP 10 0.528 -17.441 -1.840 91 H VAL 11 H VAL 11 -1.065 -13.981 -2.016 92 HA VAL 11 HA VAL 11 1.037 -12.758 -3.539 93 HB VAL 11 HB VAL 11 -1.214 -11.787 -1.785 94 HG11 VAL 11 1HG1 VAL 11 0.969 -10.130 -2.970 95 HG12 VAL 11 2HG1 VAL 11 0.782 -10.497 -1.238 96 HG13 VAL 11 3HG1 VAL 11 -0.468 -9.558 -2.091 97 HG21 VAL 11 3HG2 VAL 11 -1.596 -12.292 -4.108 98 HG22 VAL 11 1HG2 VAL 11 -0.280 -11.149 -4.495 99 HG23 VAL 11 2HG2 VAL 11 -1.746 -10.559 -3.688 100 H THR 12 H THR 12 2.933 -13.302 -2.754 101 HA THR 12 HA THR 12 3.255 -12.512 0.035 102 HB THR 12 HB THR 12 4.863 -13.970 0.496 103 HG1 THR 12 1HG THR 12 4.919 -15.473 -1.882 104 HG21 THR 12 3HG2 THR 12 2.921 -15.473 -1.211 105 HG22 THR 12 1HG2 THR 12 2.647 -14.864 0.419 106 HG23 THR 12 2HG2 THR 12 3.844 -16.146 0.152 107 H ASP 13 H ASP 13 5.018 -12.662 -3.039 108 HA ASP 13 HA ASP 13 6.866 -10.903 -1.783 109 HB2 ASP 13 2HB ASP 13 7.390 -12.923 -3.506 110 HB3 ASP 13 1HB ASP 13 7.483 -11.527 -4.587 111 H ASP 14 H ASP 14 4.134 -10.548 -3.722 112 HA ASP 14 HA ASP 14 4.621 -7.980 -4.789 113 HB2 ASP 14 2HB ASP 14 2.049 -8.663 -3.385 114 HB3 ASP 14 1HB ASP 14 2.282 -7.735 -4.840 115 H VAL 15 H VAL 15 3.186 -9.197 -1.844 116 HA VAL 15 HA VAL 15 3.148 -6.867 -0.312 117 HB VAL 15 HB VAL 15 3.194 -9.800 0.476 118 HG11 VAL 15 1HG1 VAL 15 2.996 -7.426 2.375 119 HG12 VAL 15 2HG1 VAL 15 4.367 -8.532 2.293 120 HG13 VAL 15 3HG1 VAL 15 2.788 -9.124 2.811 121 HG21 VAL 15 3HG2 VAL 15 0.953 -9.304 1.158 122 HG22 VAL 15 1HG2 VAL 15 1.207 -8.754 -0.501 123 HG23 VAL 15 2HG2 VAL 15 1.201 -7.588 0.818 124 H LYS 16 H LYS 16 5.690 -9.283 -0.537 125 HA LYS 16 HA LYS 16 7.558 -8.193 1.226 126 HB2 LYS 16 2HB LYS 16 7.668 -10.326 -0.130 127 HB3 LYS 16 1HB LYS 16 8.284 -9.331 -1.437 128 HG2 LYS 16 2HG LYS 16 10.163 -10.284 -0.421 129 HG3 LYS 16 1HG LYS 16 10.114 -8.619 0.156 130 HD2 LYS 16 2HD LYS 16 10.624 -10.299 1.925 131 HD3 LYS 16 1HD LYS 16 9.198 -9.317 2.266 132 HE2 LYS 16 2HE LYS 16 8.904 -11.717 2.765 133 HE3 LYS 16 1HE LYS 16 7.727 -11.082 1.638 134 HZ1 LYS 16 3HZ LYS 16 8.542 -13.256 0.849 135 HZ2 LYS 16 1HZ LYS 16 10.139 -12.736 0.928 136 HZ3 LYS 16 2HZ LYS 16 9.110 -12.102 -0.228 137 H SER 17 H SER 17 7.095 -7.477 -2.253 138 HA SER 17 HA SER 17 9.140 -5.592 -2.458 139 HB2 SER 17 2HB SER 17 6.596 -5.853 -4.067 140 HB3 SER 17 1HB SER 17 7.996 -4.877 -4.530 141 HG SER 17 HG SER 17 7.675 -7.646 -4.477 142 H ILE 18 H ILE 18 5.726 -5.248 -1.686 143 HA ILE 18 HA ILE 18 5.577 -2.506 -1.381 144 HB ILE 18 HB ILE 18 4.275 -4.748 0.160 145 HG12 ILE 18 2HG1 ILE 18 3.174 -2.850 -1.932 146 HG13 ILE 18 1HG1 ILE 18 3.666 -4.513 -2.216 147 HG21 ILE 18 1HG2 ILE 18 3.719 -1.810 0.439 148 HG22 ILE 18 2HG2 ILE 18 4.369 -2.926 1.650 149 HG23 ILE 18 3HG2 ILE 18 2.693 -3.109 1.093 150 HD11 ILE 18 3HD1 ILE 18 1.396 -3.609 -0.456 151 HD12 ILE 18 1HD1 ILE 18 1.873 -5.285 -0.725 152 HD13 ILE 18 2HD1 ILE 18 1.254 -4.319 -2.063 153 H VAL 19 H VAL 19 6.471 -4.930 1.033 154 HA VAL 19 HA VAL 19 7.123 -3.221 3.124 155 HB VAL 19 HB VAL 19 8.190 -5.948 2.464 156 HG11 VAL 19 1HG1 VAL 19 9.732 -4.788 4.028 157 HG12 VAL 19 2HG1 VAL 19 8.853 -6.076 4.868 158 HG13 VAL 19 3HG1 VAL 19 8.356 -4.389 5.060 159 HG21 VAL 19 3HG2 VAL 19 6.647 -6.646 4.217 160 HG22 VAL 19 1HG2 VAL 19 5.848 -5.901 2.819 161 HG23 VAL 19 2HG2 VAL 19 6.083 -4.956 4.304 162 H ARG 20 H ARG 20 9.203 -4.522 0.591 163 HA ARG 20 HA ARG 20 11.682 -3.525 1.389 164 HB2 ARG 20 2HB ARG 20 10.589 -3.790 -1.420 165 HB3 ARG 20 1HB ARG 20 12.269 -3.449 -1.052 166 HG2 ARG 20 2HG ARG 20 12.505 -5.576 0.030 167 HG3 ARG 20 1HG ARG 20 10.780 -5.904 -0.189 168 HD2 ARG 20 2HD ARG 20 11.099 -5.872 -2.647 169 HD3 ARG 20 1HD ARG 20 12.804 -5.529 -2.408 170 HE ARG 20 HE ARG 20 13.017 -7.701 -1.371 171 HH11 ARG 20 1HH1 ARG 20 10.090 -7.288 -3.517 172 HH12 ARG 20 2HH1 ARG 20 9.988 -8.976 -3.710 173 HH21 ARG 20 1HH2 ARG 20 12.651 -10.078 -1.881 174 HH22 ARG 20 2HH2 ARG 20 11.280 -10.419 -2.868 175 H PHE 21 H PHE 21 9.150 -1.952 -0.462 176 HA PHE 21 HA PHE 21 10.772 0.337 -0.773 177 HB2 PHE 21 2HB PHE 21 8.050 -0.330 -1.746 178 HB3 PHE 21 1HB PHE 21 8.766 1.263 -1.992 179 HD1 PHE 21 1HD PHE 21 11.027 1.357 -3.019 180 HD2 PHE 21 2HD PHE 21 8.577 -2.029 -3.181 181 HE1 PHE 21 1HE PHE 21 12.313 0.569 -5.012 182 HE2 PHE 21 2HE PHE 21 9.808 -2.880 -5.170 183 HZ PHE 21 HZ PHE 21 11.687 -1.565 -6.081 184 H VAL 22 H VAL 22 7.979 -0.505 1.211 185 HA VAL 22 HA VAL 22 7.714 2.164 1.957 186 HB VAL 22 HB VAL 22 6.254 1.384 3.843 187 HG11 VAL 22 1HG1 VAL 22 5.634 0.229 1.125 188 HG12 VAL 22 2HG1 VAL 22 5.286 1.871 1.665 189 HG13 VAL 22 3HG1 VAL 22 4.455 0.504 2.407 190 HG21 VAL 22 3HG2 VAL 22 5.642 -1.014 3.919 191 HG22 VAL 22 1HG2 VAL 22 7.354 -0.720 4.299 192 HG23 VAL 22 2HG2 VAL 22 6.897 -1.292 2.695 193 H GLN 23 H GLN 23 9.534 -0.556 3.162 194 HA GLN 23 HA GLN 23 10.511 0.499 5.547 195 HB2 GLN 23 2HB GLN 23 10.893 -1.826 4.753 196 HB3 GLN 23 1HB GLN 23 12.005 -1.210 3.543 197 HG2 GLN 23 2HG GLN 23 13.225 -2.131 5.412 198 HG3 GLN 23 1HG GLN 23 13.467 -0.386 5.334 199 HE21 GLN 23 1HE2 GLN 23 11.958 -2.985 7.080 200 HE22 GLN 23 2HE2 GLN 23 11.616 -2.047 8.501 201 H GLU 24 H GLU 24 11.844 0.859 2.208 202 HA GLU 24 HA GLU 24 13.876 2.569 3.164 203 HB2 GLU 24 2HB GLU 24 14.392 3.095 0.749 204 HB3 GLU 24 1HB GLU 24 14.458 1.404 1.175 205 HG2 GLU 24 2HG GLU 24 13.482 1.461 -0.958 206 HG3 GLU 24 1HG GLU 24 12.158 1.208 0.168 207 H HIS 25 H HIS 25 10.661 3.136 2.239 208 HA HIS 25 HA HIS 25 10.972 5.891 1.723 209 HB2 HIS 25 2HB HIS 25 8.654 4.114 1.925 210 HB3 HIS 25 1HB HIS 25 8.347 5.804 2.322 211 HD1 HIS 25 1HD HIS 25 10.931 4.973 -0.313 212 HD2 HIS 25 2HD HIS 25 6.941 6.171 -0.095 213 HE1 HIS 25 1HE HIS 25 10.392 5.842 -2.522 214 HE2 HIS 25 2HE HIS 25 7.931 6.140 -2.508 215 H SER 26 H SER 26 11.220 4.353 4.618 216 HA SER 26 HA SER 26 10.305 6.311 6.398 217 HB2 SER 26 2HB SER 26 12.828 4.631 6.608 218 HB3 SER 26 1HB SER 26 11.922 5.338 7.948 219 HG SER 26 HG SER 26 11.463 3.037 6.526 220 H SER 27 H SER 27 13.013 6.109 4.209 221 HA SER 27 HA SER 27 14.141 8.619 5.123 222 HB2 SER 27 2HB SER 27 15.007 6.836 2.828 223 HB3 SER 27 1HB SER 27 15.954 8.101 3.615 224 HG SER 27 HG SER 27 15.376 5.519 4.426 225 H SER 28 H SER 28 12.230 9.804 4.544 226 HA SER 28 HA SER 28 11.136 9.673 1.912 227 HB2 SER 28 2HB SER 28 10.648 11.730 4.058 228 HB3 SER 28 1HB SER 28 9.598 11.336 2.695 229 HG SER 28 HG SER 28 9.980 9.047 3.935 230 H GLN 29 H GLN 29 14.008 10.888 2.681 231 HA GLN 29 HA GLN 29 13.731 13.498 1.525 232 HB2 GLN 29 2HB GLN 29 15.281 13.244 3.395 233 HB3 GLN 29 1HB GLN 29 16.218 12.071 2.487 234 HG2 GLN 29 2HG GLN 29 16.851 13.782 0.882 235 HG3 GLN 29 1HG GLN 29 15.865 14.968 1.735 236 HE21 GLN 29 1HE2 GLN 29 17.671 16.262 2.039 237 HE22 GLN 29 2HE2 GLN 29 18.878 15.869 3.226 238 H GLY 30 H GLY 30 12.864 12.598 -0.399 239 HA2 GLY 30 2HA GLY 30 14.835 11.625 -2.327 240 HA3 GLY 30 1HA GLY 30 13.100 11.809 -2.619 241 H MET 31 H MET 31 16.085 13.484 -2.206 242 HA MET 31 HA MET 31 15.457 16.118 -2.324 243 HB2 MET 31 2HB MET 31 17.819 14.803 -3.648 244 HB3 MET 31 1HB MET 31 17.667 16.539 -3.442 245 HG2 MET 31 2HG MET 31 17.745 14.498 -1.223 246 HG3 MET 31 1HG MET 31 19.088 15.519 -1.724 247 HE1 MET 31 3HE MET 31 17.834 19.093 -0.676 248 HE2 MET 31 1HE MET 31 17.639 18.335 -2.258 249 HE3 MET 31 2HE MET 31 19.153 18.156 -1.375 250 H ARG 32 H ARG 32 16.663 14.796 -5.406 251 HA ARG 32 HA ARG 32 14.877 16.696 -6.703 252 HB2 ARG 32 2HB ARG 32 17.219 16.685 -7.493 253 HB3 ARG 32 1HB ARG 32 17.056 14.997 -7.960 254 HG2 ARG 32 2HG ARG 32 15.315 15.631 -9.589 255 HG3 ARG 32 1HG ARG 32 15.533 17.322 -9.140 256 HD2 ARG 32 2HD ARG 32 17.662 15.532 -10.317 257 HD3 ARG 32 1HD ARG 32 16.728 16.726 -11.214 258 HE ARG 32 HE ARG 32 17.924 17.999 -9.058 259 HH11 ARG 32 1HH1 ARG 32 18.883 16.456 -12.090 260 HH12 ARG 32 2HH1 ARG 32 20.299 17.361 -12.325 261 HH21 ARG 32 1HH2 ARG 32 19.913 19.310 -9.348 262 HH22 ARG 32 2HH2 ARG 32 20.901 19.047 -10.698 263 H ASN 33 H ASN 33 15.872 13.415 -7.672 264 HA ASN 33 HA ASN 33 14.765 11.624 -8.434 265 HB2 ASN 33 2HB ASN 33 13.558 11.746 -6.250 266 HB3 ASN 33 1HB ASN 33 12.394 12.850 -6.957 267 HD21 ASN 33 1HD2 ASN 33 10.700 11.506 -6.443 268 HD22 ASN 33 2HD2 ASN 33 10.474 9.980 -7.257 269 H ILE 34 H ILE 34 12.513 11.119 -9.783 270 HA ILE 34 HA ILE 34 12.607 12.613 -12.162 271 HB ILE 34 HB ILE 34 10.234 11.014 -11.133 272 HG12 ILE 34 2HG1 ILE 34 12.552 10.050 -12.836 273 HG13 ILE 34 1HG1 ILE 34 12.295 9.643 -11.145 274 HG21 ILE 34 1HG2 ILE 34 9.655 12.424 -13.027 275 HG22 ILE 34 2HG2 ILE 34 9.650 10.728 -13.509 276 HG23 ILE 34 3HG2 ILE 34 11.003 11.768 -13.956 277 HD11 ILE 34 3HD1 ILE 34 10.190 8.490 -11.766 278 HD12 ILE 34 1HD1 ILE 34 11.596 7.813 -12.591 279 HD13 ILE 34 2HD1 ILE 34 10.493 8.890 -13.445 280 H LYS 35 H LYS 35 10.501 12.736 -9.355 281 HA LYS 35 HA LYS 35 10.103 15.441 -9.163 282 HB2 LYS 35 2HB LYS 35 8.180 14.140 -10.994 283 HB3 LYS 35 1HB LYS 35 7.437 15.095 -9.720 284 HG2 LYS 35 2HG LYS 35 8.514 17.084 -10.444 285 HG3 LYS 35 1HG LYS 35 9.595 16.192 -11.509 286 HD2 LYS 35 2HD LYS 35 6.599 16.365 -11.860 287 HD3 LYS 35 1HD LYS 35 7.763 17.392 -12.699 288 HE2 LYS 35 2HE LYS 35 7.537 14.377 -12.912 289 HE3 LYS 35 1HE LYS 35 7.094 15.556 -14.136 290 HZ1 LYS 35 3HZ LYS 35 9.259 14.600 -14.618 291 HZ2 LYS 35 1HZ LYS 35 9.841 15.072 -13.105 292 HZ3 LYS 35 2HZ LYS 35 9.444 16.243 -14.244 293 H HIS 36 H HIS 36 8.567 15.980 -7.445 294 HA HIS 36 HA HIS 36 7.076 13.991 -6.141 295 HB2 HIS 36 2HB HIS 36 8.280 13.842 -4.015 296 HB3 HIS 36 1HB HIS 36 9.354 13.315 -5.299 297 HD1 HIS 36 1HD HIS 36 9.270 15.382 -2.363 298 HD2 HIS 36 2HD HIS 36 11.250 15.554 -6.019 299 HE1 HIS 36 1HE HIS 36 11.227 16.924 -2.009 300 HE2 HIS 36 2HE HIS 36 12.580 16.616 -4.121 301 H VAL 37 H VAL 37 5.449 15.026 -5.226 302 HA VAL 37 HA VAL 37 5.787 17.884 -4.716 303 HB VAL 37 HB VAL 37 3.860 17.176 -6.160 304 HG11 VAL 37 1HG1 VAL 37 2.793 15.856 -3.683 305 HG12 VAL 37 2HG1 VAL 37 3.317 15.058 -5.165 306 HG13 VAL 37 3HG1 VAL 37 1.894 16.103 -5.182 307 HG21 VAL 37 3HG2 VAL 37 2.114 18.524 -5.056 308 HG22 VAL 37 1HG2 VAL 37 3.703 19.291 -4.983 309 HG23 VAL 37 2HG2 VAL 37 3.051 18.476 -3.561 310 H GLY 38 H GLY 38 5.540 14.872 -3.268 311 HA2 GLY 38 2HA GLY 38 4.768 15.832 -0.653 312 HA3 GLY 38 1HA GLY 38 5.209 14.189 -1.086 313 HA PRO 39 HA PRO 39 9.149 16.468 0.269 314 HB2 PRO 39 2HB PRO 39 8.405 17.513 2.852 315 HB3 PRO 39 1HB PRO 39 8.967 18.429 1.443 316 HG2 PRO 39 2HG PRO 39 6.437 18.605 2.463 317 HG3 PRO 39 1HG PRO 39 6.884 18.996 0.791 318 HD2 PRO 39 2HD PRO 39 5.575 16.539 1.857 319 HD3 PRO 39 1HD PRO 39 5.321 17.411 0.325 320 H SER 40 H SER 40 7.294 15.823 3.260 321 HA SER 40 HA SER 40 8.140 13.158 3.608 322 HB2 SER 40 2HB SER 40 9.379 15.312 5.387 323 HB3 SER 40 1HB SER 40 9.487 13.578 5.672 324 HG SER 40 HG SER 40 10.326 14.185 3.177 325 H GLY 41 H GLY 41 7.346 12.560 5.978 326 HA2 GLY 41 2HA GLY 41 5.996 13.852 7.777 327 HA3 GLY 41 1HA GLY 41 4.889 14.095 6.434 328 H ARG 42 H ARG 42 4.182 12.063 5.304 329 HA ARG 42 HA ARG 42 4.399 9.553 6.404 330 HB2 ARG 42 2HB ARG 42 2.065 9.191 7.229 331 HB3 ARG 42 1HB ARG 42 3.008 10.223 8.279 332 HG2 ARG 42 2HG ARG 42 1.191 11.469 6.254 333 HG3 ARG 42 1HG ARG 42 0.510 10.778 7.727 334 HD2 ARG 42 2HD ARG 42 2.617 12.940 7.561 335 HD3 ARG 42 1HD ARG 42 0.929 13.163 8.040 336 HE ARG 42 HE ARG 42 3.052 11.845 9.544 337 HH11 ARG 42 1HH1 ARG 42 -0.248 13.194 9.518 338 HH12 ARG 42 2HH1 ARG 42 -0.592 12.741 11.126 339 HH21 ARG 42 1HH2 ARG 42 2.541 11.296 11.842 340 HH22 ARG 42 2HH2 ARG 42 0.991 11.656 12.441 341 H PHE 43 H PHE 43 2.862 8.049 5.344 342 HA PHE 43 HA PHE 43 1.860 9.073 2.752 343 HB2 PHE 43 2HB PHE 43 3.190 6.408 3.257 344 HB3 PHE 43 1HB PHE 43 2.708 7.094 1.712 345 HD1 PHE 43 1HD PHE 43 3.935 9.209 0.939 346 HD2 PHE 43 2HD PHE 43 5.348 6.679 4.053 347 HE1 PHE 43 1HE PHE 43 6.195 10.130 0.667 348 HE2 PHE 43 2HE PHE 43 7.608 7.596 3.781 349 HZ PHE 43 HZ PHE 43 8.035 9.326 2.087 350 H THR 44 H THR 44 -0.214 8.680 2.557 351 HA THR 44 HA THR 44 -1.418 6.824 4.361 352 HB THR 44 HB THR 44 -3.570 7.484 3.324 353 HG1 THR 44 1HG THR 44 -3.367 9.149 1.617 354 HG21 THR 44 3HG2 THR 44 -3.437 9.983 3.555 355 HG22 THR 44 1HG2 THR 44 -1.703 9.820 3.785 356 HG23 THR 44 2HG2 THR 44 -2.843 9.101 4.942 357 H MET 45 H MET 45 -2.585 4.802 3.603 358 HA MET 45 HA MET 45 -1.182 3.254 1.837 359 HB2 MET 45 2HB MET 45 -3.123 1.767 1.626 360 HB3 MET 45 1HB MET 45 -2.957 2.312 3.281 361 HG2 MET 45 2HG MET 45 -4.920 3.507 3.250 362 HG3 MET 45 1HG MET 45 -4.782 3.891 1.539 363 HE1 MET 45 3HE MET 45 -5.496 2.318 -0.398 364 HE2 MET 45 1HE MET 45 -5.993 0.644 -0.181 365 HE3 MET 45 2HE MET 45 -4.333 1.131 0.181 366 H ASN 46 H ASN 46 -3.647 5.517 1.228 367 HA ASN 46 HA ASN 46 -4.464 4.816 -1.367 368 HB2 ASN 46 2HB ASN 46 -5.711 6.240 0.247 369 HB3 ASN 46 1HB ASN 46 -4.534 7.514 -0.018 370 HD21 ASN 46 1HD2 ASN 46 -7.150 5.656 -1.437 371 HD22 ASN 46 2HD2 ASN 46 -7.489 6.779 -2.673 372 H MET 47 H MET 47 -1.961 6.983 -0.153 373 HA MET 47 HA MET 47 -1.243 8.146 -2.667 374 HB2 MET 47 2HB MET 47 0.346 7.878 -0.109 375 HB3 MET 47 1HB MET 47 0.812 8.867 -1.482 376 HG2 MET 47 2HG MET 47 -1.130 10.278 -1.146 377 HG3 MET 47 1HG MET 47 -1.671 9.238 0.169 378 HE1 MET 47 3HE MET 47 -1.866 11.404 1.737 379 HE2 MET 47 1HE MET 47 -1.286 12.422 0.420 380 HE3 MET 47 2HE MET 47 -0.533 12.526 2.010 381 H LEU 48 H LEU 48 -0.217 5.407 -0.793 382 HA LEU 48 HA LEU 48 2.081 4.784 -2.299 383 HB2 LEU 48 2HB LEU 48 0.391 3.006 -0.559 384 HB3 LEU 48 1HB LEU 48 1.992 2.620 -1.152 385 HG LEU 48 HG LEU 48 1.291 4.829 0.783 386 HD11 LEU 48 1HD1 LEU 48 1.193 2.594 1.744 387 HD12 LEU 48 2HD1 LEU 48 2.560 3.512 2.376 388 HD13 LEU 48 3HD1 LEU 48 2.826 2.265 1.158 389 HD21 LEU 48 3HD2 LEU 48 3.108 5.531 -0.630 390 HD22 LEU 48 1HD2 LEU 48 3.966 4.009 -0.354 391 HD23 LEU 48 2HD2 LEU 48 3.720 5.140 0.977 392 H VAL 49 H VAL 49 -1.356 3.873 -2.648 393 HA VAL 49 HA VAL 49 -0.997 1.843 -4.467 394 HB VAL 49 HB VAL 49 -3.248 3.728 -3.804 395 HG11 VAL 49 1HG1 VAL 49 -4.655 2.101 -4.881 396 HG12 VAL 49 2HG1 VAL 49 -3.173 1.213 -5.366 397 HG13 VAL 49 3HG1 VAL 49 -3.476 2.859 -5.974 398 HG21 VAL 49 3HG2 VAL 49 -4.042 1.934 -2.480 399 HG22 VAL 49 1HG2 VAL 49 -2.385 2.347 -2.075 400 HG23 VAL 49 2HG2 VAL 49 -2.716 0.888 -3.035 401 H ASP 50 H ASP 50 -1.488 5.293 -4.677 402 HA ASP 50 HA ASP 50 -1.740 5.709 -7.424 403 HB2 ASP 50 2HB ASP 50 -0.127 7.384 -5.479 404 HB3 ASP 50 1HB ASP 50 -0.527 7.862 -7.114 405 H ILE 51 H ILE 51 1.117 5.408 -5.454 406 HA ILE 51 HA ILE 51 2.873 5.680 -7.678 407 HB ILE 51 HB ILE 51 3.599 4.769 -4.879 408 HG12 ILE 51 2HG1 ILE 51 3.135 7.522 -6.039 409 HG13 ILE 51 1HG1 ILE 51 2.456 6.825 -4.579 410 HG21 ILE 51 1HG2 ILE 51 5.271 4.477 -6.700 411 HG22 ILE 51 2HG2 ILE 51 5.766 5.658 -5.472 412 HG23 ILE 51 3HG2 ILE 51 5.079 6.213 -7.011 413 HD11 ILE 51 3HD1 ILE 51 5.254 7.667 -5.076 414 HD12 ILE 51 1HD1 ILE 51 4.725 6.909 -3.558 415 HD13 ILE 51 2HD1 ILE 51 4.082 8.494 -4.044 416 H PHE 52 H PHE 52 1.716 3.008 -5.743 417 HA PHE 52 HA PHE 52 3.254 0.866 -6.561 418 HB2 PHE 52 2HB PHE 52 1.488 0.865 -4.775 419 HB3 PHE 52 1HB PHE 52 0.275 0.874 -6.035 420 HD1 PHE 52 2HD PHE 52 3.234 -1.176 -4.995 421 HD2 PHE 52 1HD PHE 52 -0.733 -1.129 -6.533 422 HE1 PHE 52 2HE PHE 52 3.185 -3.629 -4.934 423 HE2 PHE 52 1HE PHE 52 -0.791 -3.582 -6.468 424 HZ PHE 52 HZ PHE 52 1.170 -4.839 -5.667 425 H LEU 53 H LEU 53 0.291 2.093 -8.076 426 HA LEU 53 HA LEU 53 0.505 0.267 -10.279 427 HB2 LEU 53 2HB LEU 53 -1.431 2.311 -9.423 428 HB3 LEU 53 1HB LEU 53 -1.302 2.106 -11.154 429 HG LEU 53 HG LEU 53 -1.925 -0.239 -10.973 430 HD11 LEU 53 1HD1 LEU 53 -2.768 -1.135 -8.898 431 HD12 LEU 53 2HD1 LEU 53 -2.019 0.201 -8.005 432 HD13 LEU 53 3HD1 LEU 53 -1.026 -0.952 -8.949 433 HD21 LEU 53 3HD2 LEU 53 -3.797 1.537 -9.451 434 HD22 LEU 53 1HD2 LEU 53 -4.124 -0.071 -10.099 435 HD23 LEU 53 2HD2 LEU 53 -3.748 1.267 -11.211 436 H GLY 54 H GLY 54 2.048 3.136 -9.584 437 HA2 GLY 54 2HA GLY 54 3.622 4.281 -10.852 438 HA3 GLY 54 1HA GLY 54 3.196 3.264 -12.224 439 H SER 55 H SER 55 0.840 5.009 -10.416 440 HA SER 55 HA SER 55 -0.300 6.153 -12.726 441 HB2 SER 55 2HB SER 55 -1.630 5.473 -10.761 442 HB3 SER 55 1HB SER 55 -0.830 6.684 -9.783 443 HG SER 55 HG SER 55 -2.598 7.717 -10.377 444 H LYS 56 H LYS 56 -0.919 8.580 -12.539 445 HA LYS 56 HA LYS 56 1.530 10.035 -11.993 446 HB2 LYS 56 2HB LYS 56 -0.483 10.513 -14.178 447 HB3 LYS 56 1HB LYS 56 0.543 11.831 -13.620 448 HG2 LYS 56 2HG LYS 56 1.620 10.861 -15.513 449 HG3 LYS 56 1HG LYS 56 2.536 10.381 -14.090 450 HD2 LYS 56 2HD LYS 56 0.945 8.263 -14.225 451 HD3 LYS 56 1HD LYS 56 0.847 8.738 -15.922 452 HE2 LYS 56 2HE LYS 56 2.632 7.171 -15.745 453 HE3 LYS 56 1HE LYS 56 3.371 8.761 -15.941 454 HZ1 LYS 56 3HZ LYS 56 3.056 7.245 -13.403 455 HZ2 LYS 56 1HZ LYS 56 3.676 8.815 -13.471 456 HZ3 LYS 56 2HZ LYS 56 4.505 7.542 -14.197 457 H SER 57 H SER 57 -1.172 9.341 -10.612 458 HA SER 57 HA SER 57 -1.548 11.895 -9.329 459 HB2 SER 57 2HB SER 57 -3.150 10.510 -7.924 460 HB3 SER 57 1HB SER 57 -3.527 10.519 -9.646 461 HG SER 57 HG SER 57 -2.969 8.466 -8.029 462 H ALA 58 H ALA 58 0.707 9.664 -9.460 463 HA ALA 58 HA ALA 58 1.402 8.978 -6.813 464 HB1 ALA 58 1HB ALA 58 3.576 8.346 -7.826 465 HB2 ALA 58 2HB ALA 58 3.062 9.102 -9.333 466 HB3 ALA 58 3HB ALA 58 2.200 7.695 -8.719 467 H LYS 59 H LYS 59 2.135 10.228 -5.385 468 HA LYS 59 HA LYS 59 2.663 12.987 -5.972 469 HB2 LYS 59 2HB LYS 59 2.445 11.468 -3.374 470 HB3 LYS 59 1HB LYS 59 2.496 13.229 -3.522 471 HG2 LYS 59 2HG LYS 59 0.429 13.332 -4.612 472 HG3 LYS 59 1HG LYS 59 0.464 11.627 -5.031 473 HD2 LYS 59 2HD LYS 59 0.146 11.074 -2.658 474 HD3 LYS 59 1HD LYS 59 0.045 12.798 -2.284 475 HE2 LYS 59 2HE LYS 59 -2.199 11.785 -2.502 476 HE3 LYS 59 1HE LYS 59 -1.916 13.029 -3.710 477 HZ1 LYS 59 3HZ LYS 59 -2.984 11.126 -4.733 478 HZ2 LYS 59 1HZ LYS 59 -1.830 10.053 -4.209 479 HZ3 LYS 59 2HZ LYS 59 -1.424 11.188 -5.336 480 H ILE 60 H ILE 60 4.524 10.237 -5.618 481 HA ILE 60 HA ILE 60 6.972 11.774 -5.665 482 HB ILE 60 HB ILE 60 6.556 9.351 -3.852 483 HG12 ILE 60 2HG1 ILE 60 7.208 12.221 -3.125 484 HG13 ILE 60 1HG1 ILE 60 5.665 11.422 -2.866 485 HG21 ILE 60 1HG2 ILE 60 8.907 9.654 -3.185 486 HG22 ILE 60 2HG2 ILE 60 9.066 10.959 -4.361 487 HG23 ILE 60 3HG2 ILE 60 8.757 9.312 -4.911 488 HD11 ILE 60 3HD1 ILE 60 6.732 9.871 -1.341 489 HD12 ILE 60 1HD1 ILE 60 6.944 11.551 -0.823 490 HD13 ILE 60 2HD1 ILE 60 8.278 10.688 -1.601 491 H GLN 61 H GLN 61 8.347 10.816 -7.179 492 HA GLN 61 HA GLN 61 7.208 8.545 -8.628 493 HB2 GLN 61 2HB GLN 61 9.596 10.264 -9.311 494 HB3 GLN 61 1HB GLN 61 8.787 9.124 -10.373 495 HG2 GLN 61 2HG GLN 61 7.575 11.677 -9.304 496 HG3 GLN 61 1HG GLN 61 8.250 11.479 -10.910 497 HE21 GLN 61 1HE2 GLN 61 5.549 10.860 -8.838 498 HE22 GLN 61 2HE2 GLN 61 4.491 10.301 -10.060 499 H SER 62 H SER 62 8.122 7.726 -6.166 500 HA SER 62 HA SER 62 10.228 5.882 -6.881 501 HB2 SER 62 2HB SER 62 10.606 7.773 -4.540 502 HB3 SER 62 1HB SER 62 11.669 6.436 -4.972 503 HG SER 62 HG SER 62 11.550 7.780 -7.141 504 H GLY 63 H GLY 63 10.367 4.107 -5.390 505 HA2 GLY 63 2HA GLY 63 9.665 2.693 -3.712 506 HA3 GLY 63 1HA GLY 63 8.625 3.970 -3.098 507 H ILE 64 H ILE 64 8.712 1.023 -4.637 508 HA ILE 64 HA ILE 64 7.401 -0.229 -5.936 509 HB ILE 64 HB ILE 64 4.870 -0.108 -5.446 510 HG12 ILE 64 2HG1 ILE 64 5.907 1.443 -3.053 511 HG13 ILE 64 1HG1 ILE 64 4.753 2.009 -4.250 512 HG21 ILE 64 1HG2 ILE 64 6.834 -1.112 -3.456 513 HG22 ILE 64 2HG2 ILE 64 6.175 -1.925 -4.887 514 HG23 ILE 64 3HG2 ILE 64 5.122 -1.562 -3.515 515 HD11 ILE 64 3HD1 ILE 64 4.310 -0.231 -2.300 516 HD12 ILE 64 1HD1 ILE 64 3.137 0.363 -3.471 517 HD13 ILE 64 2HD1 ILE 64 3.671 1.410 -2.149 518 H PHE 65 H PHE 65 7.899 2.417 -6.973 519 HA PHE 65 HA PHE 65 5.720 3.365 -8.433 520 HB2 PHE 65 2HB PHE 65 7.992 4.509 -8.010 521 HB3 PHE 65 1HB PHE 65 8.548 3.603 -9.423 522 HD1 PHE 65 1HD PHE 65 7.621 4.131 -11.642 523 HD2 PHE 65 2HD PHE 65 6.504 6.174 -8.147 524 HE1 PHE 65 1HE PHE 65 6.594 5.911 -13.028 525 HE2 PHE 65 2HE PHE 65 5.458 7.918 -9.388 526 HZ PHE 65 HZ PHE 65 5.510 7.832 -11.927 527 H GLY 66 H GLY 66 4.610 2.129 -9.671 528 HA2 GLY 66 2HA GLY 66 4.010 0.896 -11.515 529 HA3 GLY 66 1HA GLY 66 5.598 1.263 -12.181 530 H LYS 67 H LYS 67 4.869 -0.411 -9.170 531 HA LYS 67 HA LYS 67 6.054 -2.805 -10.382 532 HB2 LYS 67 2HB LYS 67 6.187 -1.889 -7.501 533 HB3 LYS 67 1HB LYS 67 6.799 -3.439 -8.077 534 HG2 LYS 67 2HG LYS 67 7.738 -0.758 -9.090 535 HG3 LYS 67 1HG LYS 67 8.560 -1.699 -7.842 536 HD2 LYS 67 2HD LYS 67 9.238 -3.331 -9.328 537 HD3 LYS 67 1HD LYS 67 7.949 -3.010 -10.476 538 HE2 LYS 67 2HE LYS 67 10.292 -1.191 -9.936 539 HE3 LYS 67 1HE LYS 67 10.168 -2.311 -11.293 540 HZ1 LYS 67 3HZ LYS 67 8.070 -1.065 -11.918 541 HZ2 LYS 67 1HZ LYS 67 9.488 -0.149 -12.068 542 HZ3 LYS 67 2HZ LYS 67 8.453 0.069 -10.766 543 H GLY 68 H GLY 68 3.227 -1.545 -9.396 544 HA2 GLY 68 2HA GLY 68 2.128 -4.249 -9.162 545 HA3 GLY 68 1HA GLY 68 1.585 -2.939 -8.110 546 H SER 69 H SER 69 2.505 -2.463 -11.407 547 HA SER 69 HA SER 69 0.145 -1.055 -12.045 548 HB2 SER 69 2HB SER 69 2.311 -2.091 -13.869 549 HB3 SER 69 1HB SER 69 1.183 -0.773 -14.204 550 HG SER 69 HG SER 69 2.131 0.466 -12.744 551 H ALA 70 H ALA 70 0.479 -4.283 -11.740 552 HA ALA 70 HA ALA 70 -1.283 -4.880 -13.964 553 HB1 ALA 70 1HB ALA 70 0.106 -6.790 -12.068 554 HB2 ALA 70 2HB ALA 70 0.648 -6.392 -13.700 555 HB3 ALA 70 3HB ALA 70 -0.868 -7.262 -13.460 556 H TYR 71 H TYR 71 -1.591 -3.643 -11.175 557 HA TYR 71 HA TYR 71 -3.979 -5.135 -10.395 558 HB2 TYR 71 2HB TYR 71 -2.190 -3.237 -8.901 559 HB3 TYR 71 1HB TYR 71 -3.767 -3.671 -8.310 560 HD1 TYR 71 2HD TYR 71 -0.603 -5.386 -9.469 561 HD2 TYR 71 1HD TYR 71 -3.965 -5.507 -6.867 562 HE1 TYR 71 2HE TYR 71 0.259 -7.470 -8.458 563 HE2 TYR 71 1HE TYR 71 -3.129 -7.584 -5.865 564 HH TYR 71 HH TYR 71 0.022 -8.925 -6.483 565 H SER 72 H SER 72 -5.864 -4.044 -10.309 566 HA SER 72 HA SER 72 -5.977 -1.441 -11.560 567 HB2 SER 72 2HB SER 72 -7.729 -3.128 -12.061 568 HB3 SER 72 1HB SER 72 -8.144 -3.212 -10.353 569 HG SER 72 HG SER 72 -8.985 -1.495 -12.238 570 H ARG 73 H ARG 73 -7.307 0.272 -10.293 571 HA ARG 73 HA ARG 73 -6.068 0.921 -7.840 572 HB2 ARG 73 2HB ARG 73 -7.302 2.556 -9.312 573 HB3 ARG 73 1HB ARG 73 -8.812 1.841 -8.773 574 HG2 ARG 73 2HG ARG 73 -8.451 3.867 -7.548 575 HG3 ARG 73 1HG ARG 73 -8.218 2.512 -6.439 576 HD2 ARG 73 2HD ARG 73 -5.785 2.677 -6.797 577 HD3 ARG 73 1HD ARG 73 -6.055 4.065 -7.846 578 HE ARG 73 HE ARG 73 -6.989 4.159 -5.068 579 HH11 ARG 73 1HH1 ARG 73 -4.789 5.406 -7.586 580 HH12 ARG 73 2HH1 ARG 73 -4.166 6.643 -6.581 581 HH21 ARG 73 1HH2 ARG 73 -6.088 5.812 -3.778 582 HH22 ARG 73 2HH2 ARG 73 -4.883 6.859 -4.384 583 H HIS 74 H HIS 74 -8.892 -0.745 -8.686 584 HA HIS 74 HA HIS 74 -10.252 -1.129 -6.242 585 HB2 HIS 74 2HB HIS 74 -11.390 -1.588 -8.286 586 HB3 HIS 74 1HB HIS 74 -10.128 -2.677 -8.834 587 HD1 HIS 74 1HD HIS 74 -10.390 -5.140 -8.262 588 HD2 HIS 74 2HD HIS 74 -13.080 -2.682 -6.269 589 HE1 HIS 74 1HE HIS 74 -12.034 -6.707 -7.197 590 HE2 HIS 74 2HE HIS 74 -13.780 -5.207 -6.187 591 H ASN 75 H ASN 75 -7.661 -2.819 -7.829 592 HA ASN 75 HA ASN 75 -7.846 -5.077 -6.086 593 HB2 ASN 75 2HB ASN 75 -5.935 -4.444 -8.341 594 HB3 ASN 75 1HB ASN 75 -5.872 -5.916 -7.384 595 HD21 ASN 75 1HD2 ASN 75 -6.194 -7.157 -9.206 596 HD22 ASN 75 2HD2 ASN 75 -7.698 -7.355 -9.944 597 H ALA 76 H ALA 76 -5.501 -2.548 -6.812 598 HA ALA 76 HA ALA 76 -3.586 -3.285 -4.929 599 HB1 ALA 76 1HB ALA 76 -3.137 -1.685 -6.702 600 HB2 ALA 76 2HB ALA 76 -2.788 -0.973 -5.119 601 HB3 ALA 76 3HB ALA 76 -4.271 -0.549 -5.973 602 H GLU 77 H GLU 77 -6.301 -0.961 -4.673 603 HA GLU 77 HA GLU 77 -5.668 -0.414 -2.024 604 HB2 GLU 77 2HB GLU 77 -8.159 0.190 -3.581 605 HB3 GLU 77 1HB GLU 77 -8.038 0.543 -1.863 606 HG2 GLU 77 2HG GLU 77 -5.861 1.730 -2.515 607 HG3 GLU 77 1HG GLU 77 -6.562 1.757 -4.140 608 H ARG 78 H ARG 78 -7.631 -3.015 -3.349 609 HA ARG 78 HA ARG 78 -8.971 -3.451 -0.862 610 HB2 ARG 78 2HB ARG 78 -9.852 -4.304 -3.050 611 HB3 ARG 78 1HB ARG 78 -8.533 -5.461 -3.101 612 HG2 ARG 78 2HG ARG 78 -9.351 -6.444 -0.993 613 HG3 ARG 78 1HG ARG 78 -10.698 -5.311 -1.012 614 HD2 ARG 78 2HD ARG 78 -11.373 -6.291 -3.227 615 HD3 ARG 78 1HD ARG 78 -10.125 -7.517 -2.994 616 HE ARG 78 HE ARG 78 -11.900 -7.310 -0.772 617 HH11 ARG 78 1HH1 ARG 78 -11.487 -8.992 -3.933 618 HH12 ARG 78 2HH1 ARG 78 -12.680 -10.156 -3.461 619 HH21 ARG 78 1HH2 ARG 78 -13.546 -9.080 -0.374 620 HH22 ARG 78 2HH2 ARG 78 -13.732 -10.198 -1.664 621 H LEU 79 H LEU 79 -5.961 -4.322 -2.228 622 HA LEU 79 HA LEU 79 -5.391 -6.457 -0.423 623 HB2 LEU 79 2HB LEU 79 -4.510 -5.884 -2.757 624 HB3 LEU 79 1HB LEU 79 -3.375 -4.890 -1.867 625 HG LEU 79 HG LEU 79 -3.828 -7.767 -1.441 626 HD11 LEU 79 1HD1 LEU 79 -1.834 -6.109 -2.761 627 HD12 LEU 79 2HD1 LEU 79 -3.022 -7.184 -3.564 628 HD13 LEU 79 3HD1 LEU 79 -1.614 -7.879 -2.618 629 HD21 LEU 79 3HD2 LEU 79 -1.608 -7.758 -0.318 630 HD22 LEU 79 1HD2 LEU 79 -2.820 -6.773 0.504 631 HD23 LEU 79 2HD2 LEU 79 -1.579 -6.000 -0.484 632 H PHE 80 H PHE 80 -4.246 -3.091 -0.828 633 HA PHE 80 HA PHE 80 -2.666 -3.117 1.489 634 HB2 PHE 80 2HB PHE 80 -3.959 -0.869 -0.011 635 HB3 PHE 80 1HB PHE 80 -3.088 -0.556 1.485 636 HD1 PHE 80 2HD PHE 80 -0.671 -0.827 1.578 637 HD2 PHE 80 1HD PHE 80 -2.803 -1.432 -2.047 638 HE1 PHE 80 2HE PHE 80 1.432 -0.646 0.316 639 HE2 PHE 80 1HE PHE 80 -0.708 -1.254 -3.319 640 HZ PHE 80 HZ PHE 80 1.415 -0.857 -2.138 641 H LYS 81 H LYS 81 -5.927 -3.128 1.078 642 HA LYS 81 HA LYS 81 -6.381 -2.064 3.772 643 HB2 LYS 81 2HB LYS 81 -8.497 -3.071 1.838 644 HB3 LYS 81 1HB LYS 81 -8.839 -2.386 3.422 645 HG2 LYS 81 2HG LYS 81 -7.794 -0.263 2.692 646 HG3 LYS 81 1HG LYS 81 -7.558 -0.958 1.094 647 HD2 LYS 81 2HD LYS 81 -10.146 -1.374 1.228 648 HD3 LYS 81 1HD LYS 81 -10.082 -0.102 2.449 649 HE2 LYS 81 2HE LYS 81 -9.175 0.071 -0.421 650 HE3 LYS 81 1HE LYS 81 -10.568 0.868 0.281 651 HZ1 LYS 81 3HZ LYS 81 -9.139 2.332 1.526 652 HZ2 LYS 81 1HZ LYS 81 -8.584 2.326 -0.068 653 HZ3 LYS 81 2HZ LYS 81 -7.760 1.462 1.118 654 H LYS 82 H LYS 82 -6.078 -5.118 2.118 655 HA LYS 82 HA LYS 82 -7.107 -6.591 4.331 656 HB2 LYS 82 2HB LYS 82 -7.079 -7.702 2.175 657 HB3 LYS 82 1HB LYS 82 -5.364 -7.375 1.972 658 HG2 LYS 82 2HG LYS 82 -4.817 -8.835 3.802 659 HG3 LYS 82 1HG LYS 82 -6.522 -9.106 4.138 660 HD2 LYS 82 2HD LYS 82 -6.806 -10.309 2.137 661 HD3 LYS 82 1HD LYS 82 -5.234 -9.790 1.522 662 HE2 LYS 82 2HE LYS 82 -5.143 -12.088 2.315 663 HE3 LYS 82 1HE LYS 82 -4.110 -11.027 3.265 664 HZ1 LYS 82 3HZ LYS 82 -5.713 -11.037 5.039 665 HZ2 LYS 82 1HZ LYS 82 -5.299 -12.602 4.615 666 HZ3 LYS 82 2HZ LYS 82 -6.786 -12.013 4.113 667 H LEU 83 H LEU 83 -4.055 -5.413 3.181 668 HA LEU 83 HA LEU 83 -2.345 -6.571 5.002 669 HB2 LEU 83 2HB LEU 83 -2.184 -3.923 3.691 670 HB3 LEU 83 1HB LEU 83 -0.892 -4.690 4.605 671 HG LEU 83 HG LEU 83 -2.213 -5.853 2.201 672 HD11 LEU 83 1HD1 LEU 83 0.441 -4.596 2.592 673 HD12 LEU 83 2HD1 LEU 83 -0.952 -3.913 1.714 674 HD13 LEU 83 3HD1 LEU 83 -0.129 -5.363 1.089 675 HD21 LEU 83 3HD2 LEU 83 -0.326 -7.438 2.244 676 HD22 LEU 83 1HD2 LEU 83 -1.374 -7.598 3.652 677 HD23 LEU 83 2HD2 LEU 83 0.173 -6.760 3.792 678 H ILE 84 H ILE 84 -4.302 -3.603 5.396 679 HA ILE 84 HA ILE 84 -3.110 -3.146 7.933 680 HB ILE 84 HB ILE 84 -4.726 -1.331 8.273 681 HG12 ILE 84 2HG1 ILE 84 -6.144 -0.692 6.148 682 HG13 ILE 84 1HG1 ILE 84 -6.033 -2.409 5.789 683 HG21 ILE 84 1HG2 ILE 84 -3.412 -1.365 5.587 684 HG22 ILE 84 2HG2 ILE 84 -2.747 -0.780 7.120 685 HG23 ILE 84 3HG2 ILE 84 -4.091 0.069 6.348 686 HD11 ILE 84 3HD1 ILE 84 -8.125 -1.897 6.891 687 HD12 ILE 84 1HD1 ILE 84 -7.256 -1.186 8.255 688 HD13 ILE 84 2HD1 ILE 84 -7.115 -2.911 7.928 689 H LEU 85 H LEU 85 -5.825 -4.977 6.857 690 HA LEU 85 HA LEU 85 -6.956 -5.276 9.395 691 HB2 LEU 85 2HB LEU 85 -7.252 -6.791 6.848 692 HB3 LEU 85 1HB LEU 85 -8.052 -7.335 8.315 693 HG LEU 85 HG LEU 85 -8.297 -4.567 7.339 694 HD11 LEU 85 1HD1 LEU 85 -10.484 -5.291 6.278 695 HD12 LEU 85 2HD1 LEU 85 -10.092 -6.960 6.691 696 HD13 LEU 85 3HD1 LEU 85 -9.103 -6.084 5.521 697 HD21 LEU 85 3HD2 LEU 85 -10.421 -4.636 8.622 698 HD22 LEU 85 1HD2 LEU 85 -8.988 -4.911 9.609 699 HD23 LEU 85 2HD2 LEU 85 -10.008 -6.269 9.139 700 H ASP 86 H ASP 86 -4.880 -7.335 7.392 701 HA ASP 86 HA ASP 86 -4.492 -9.416 9.292 702 HB2 ASP 86 2HB ASP 86 -3.044 -8.674 6.741 703 HB3 ASP 86 1HB ASP 86 -2.525 -10.019 7.740 704 H LYS 87 H LYS 87 -2.880 -6.383 8.646 705 HA LYS 87 HA LYS 87 -1.786 -5.101 9.997 706 HB2 LYS 87 2HB LYS 87 -1.926 -7.341 11.916 707 HB3 LYS 87 1HB LYS 87 -0.817 -5.999 12.212 708 HG2 LYS 87 2HG LYS 87 -2.731 -4.449 11.879 709 HG3 LYS 87 1HG LYS 87 -3.801 -5.857 11.868 710 HD2 LYS 87 2HD LYS 87 -3.245 -6.360 14.124 711 HD3 LYS 87 1HD LYS 87 -1.928 -5.182 14.123 712 HE2 LYS 87 2HE LYS 87 -4.879 -4.600 13.910 713 HE3 LYS 87 1HE LYS 87 -3.826 -4.243 15.281 714 HZ1 LYS 87 3HZ LYS 87 -2.512 -2.783 13.685 715 HZ2 LYS 87 1HZ LYS 87 -4.050 -2.190 13.975 716 HZ3 LYS 87 2HZ LYS 87 -3.676 -3.015 12.575 717 H ILE 88 H ILE 88 -0.799 -6.890 8.097 718 HA ILE 88 HA ILE 88 2.002 -6.906 8.536 719 HB ILE 88 HB ILE 88 0.213 -6.830 6.164 720 HG12 ILE 88 2HG1 ILE 88 1.406 -9.046 5.580 721 HG13 ILE 88 1HG1 ILE 88 2.117 -8.929 7.180 722 HG21 ILE 88 1HG2 ILE 88 2.263 -7.127 4.647 723 HG22 ILE 88 2HG2 ILE 88 3.247 -6.687 6.053 724 HG23 ILE 88 3HG2 ILE 88 2.101 -5.536 5.386 725 HD11 ILE 88 3HD1 ILE 88 -0.129 -8.968 8.154 726 HD12 ILE 88 1HD1 ILE 88 0.211 -10.403 7.186 727 HD13 ILE 88 2HD1 ILE 88 -0.805 -9.121 6.533 728 H LEU 89 H LEU 89 -0.427 -4.685 7.329 729 HA LEU 89 HA LEU 89 1.407 -2.415 7.627 730 HB2 LEU 89 2HB LEU 89 -0.905 -2.947 5.817 731 HB3 LEU 89 1HB LEU 89 -0.686 -1.316 6.396 732 HG LEU 89 HG LEU 89 0.270 -1.640 4.165 733 HD11 LEU 89 1HD1 LEU 89 2.354 -1.188 6.277 734 HD12 LEU 89 2HD1 LEU 89 1.120 -0.045 5.795 735 HD13 LEU 89 3HD1 LEU 89 2.354 -0.547 4.620 736 HD21 LEU 89 3HD2 LEU 89 0.916 -4.009 4.499 737 HD22 LEU 89 1HD2 LEU 89 2.209 -3.465 5.546 738 HD23 LEU 89 2HD2 LEU 89 2.229 -3.029 3.825 739 H ASP 90 H ASP 90 0.602 -0.630 8.844 740 HA ASP 90 HA ASP 90 -1.914 -1.133 10.234 741 HB2 ASP 90 2HB ASP 90 0.536 -1.525 11.456 742 HB3 ASP 90 1HB ASP 90 0.125 0.127 11.898 743 H GLU 91 H GLU 91 -3.059 0.521 9.583 744 HA GLU 91 HA GLU 91 -1.734 3.077 9.260 745 HB2 GLU 91 2HB GLU 91 -4.466 2.206 8.336 746 HB3 GLU 91 1HB GLU 91 -3.925 3.878 8.287 747 HG2 GLU 91 2HG GLU 91 -1.990 3.100 6.909 748 HG3 GLU 91 1HG GLU 91 -2.790 1.538 6.771 749 H ASP 92 H ASP 92 -2.364 4.930 10.130 750 HA ASP 92 HA ASP 92 -3.661 4.735 12.760 751 HB2 ASP 92 2HB ASP 92 -1.491 5.795 12.849 752 HB3 ASP 92 1HB ASP 92 -1.899 6.864 11.508 753 H LEU 93 H LEU 93 -5.362 6.040 13.288 754 HA LEU 93 HA LEU 93 -6.790 7.100 10.970 755 HB2 LEU 93 2HB LEU 93 -7.954 6.183 13.595 756 HB3 LEU 93 1HB LEU 93 -8.827 6.887 12.243 757 HG LEU 93 HG LEU 93 -7.369 4.239 12.171 758 HD11 LEU 93 1HD1 LEU 93 -9.330 4.134 13.594 759 HD12 LEU 93 2HD1 LEU 93 -9.600 3.243 12.096 760 HD13 LEU 93 3HD1 LEU 93 -10.316 4.839 12.314 761 HD21 LEU 93 3HD2 LEU 93 -8.526 3.938 10.016 762 HD22 LEU 93 1HD2 LEU 93 -7.423 5.315 9.982 763 HD23 LEU 93 2HD2 LEU 93 -9.159 5.578 10.137 764 H TYR 94 H TYR 94 -6.411 9.055 10.819 765 HA TYR 94 HA TYR 94 -6.238 10.765 13.173 766 HB2 TYR 94 2HB TYR 94 -4.171 10.737 11.957 767 HB3 TYR 94 1HB TYR 94 -5.018 10.939 10.428 768 HD1 TYR 94 2HD TYR 94 -4.284 12.685 13.636 769 HD2 TYR 94 1HD TYR 94 -5.338 13.040 9.538 770 HE1 TYR 94 2HE TYR 94 -4.006 15.129 13.780 771 HE2 TYR 94 1HE TYR 94 -5.063 15.475 9.664 772 HH TYR 94 HH TYR 94 -5.151 17.197 11.373 773 H ILE 95 H ILE 95 -8.020 11.874 13.441 774 HA ILE 95 HA ILE 95 -9.443 12.730 11.057 775 HB ILE 95 HB ILE 95 -10.553 10.901 12.447 776 HG12 ILE 95 2HG1 ILE 95 -12.082 13.478 12.388 777 HG13 ILE 95 1HG1 ILE 95 -11.819 12.444 10.983 778 HG21 ILE 95 1HG2 ILE 95 -11.589 11.494 14.512 779 HG22 ILE 95 2HG2 ILE 95 -10.998 13.134 14.325 780 HG23 ILE 95 3HG2 ILE 95 -9.823 11.794 14.622 781 HD11 ILE 95 3HD1 ILE 95 -13.981 12.004 11.912 782 HD12 ILE 95 1HD1 ILE 95 -13.251 11.692 13.504 783 HD13 ILE 95 2HD1 ILE 95 -12.901 10.616 12.148 784 H ASN 96 H ASN 96 -10.099 14.827 11.085 785 HA ASN 96 HA ASN 96 -8.745 16.498 13.120 786 HB2 ASN 96 2HB ASN 96 -10.137 17.567 10.653 787 HB3 ASN 96 1HB ASN 96 -8.975 18.394 11.670 788 HD21 ASN 96 1HD2 ASN 96 -9.531 16.363 9.152 789 HD22 ASN 96 2HD2 ASN 96 -7.907 16.122 8.570 790 H ALA 97 H ALA 97 -10.123 18.703 13.151 791 HA ALA 97 HA ALA 97 -12.439 18.265 14.750 792 HB1 ALA 97 1HB ALA 97 -10.876 20.052 15.093 793 HB2 ALA 97 2HB ALA 97 -12.457 20.762 14.654 794 HB3 ALA 97 3HB ALA 97 -11.160 20.592 13.444 795 H ASN 98 H ASN 98 -12.445 17.486 11.838 796 HA ASN 98 HA ASN 98 -14.796 18.994 10.849 797 HB2 ASN 98 2HB ASN 98 -12.617 17.600 9.305 798 HB3 ASN 98 1HB ASN 98 -14.047 18.340 8.578 799 HD21 ASN 98 1HD2 ASN 98 -13.857 20.629 10.382 800 HD22 ASN 98 2HD2 ASN 98 -12.479 21.499 9.783 801 H ASP 99 H ASP 99 -13.787 16.220 12.285 802 HA ASP 99 HA ASP 99 -14.198 14.047 12.299 803 HB2 ASP 99 2HB ASP 99 -16.870 15.053 11.262 804 HB3 ASP 99 1HB ASP 99 -16.602 13.366 11.690 805 H GLN 100 H GLN 100 -13.023 15.185 10.047 806 HA GLN 100 HA GLN 100 -13.602 13.264 7.902 807 HB2 GLN 100 2HB GLN 100 -11.787 15.695 7.888 808 HB3 GLN 100 1HB GLN 100 -12.036 14.628 6.517 809 HG2 GLN 100 2HG GLN 100 -14.444 15.252 6.520 810 HG3 GLN 100 1HG GLN 100 -14.100 16.385 7.824 811 HE21 GLN 100 1HE2 GLN 100 -11.506 17.199 6.680 812 HE22 GLN 100 2HE2 GLN 100 -11.932 18.193 5.333 813 H ALA 101 H ALA 101 -12.585 11.460 8.203 814 HA ALA 101 HA ALA 101 -10.083 11.407 9.693 815 HB1 ALA 101 1HB ALA 101 -10.482 9.033 9.943 816 HB2 ALA 101 2HB ALA 101 -11.887 9.138 8.883 817 HB3 ALA 101 3HB ALA 101 -11.902 9.950 10.448 818 H ILE 102 H ILE 102 -8.264 10.649 8.925 819 HA ILE 102 HA ILE 102 -8.246 9.494 6.265 820 HB ILE 102 HB ILE 102 -7.427 11.874 6.108 821 HG12 ILE 102 2HG1 ILE 102 -5.261 11.407 4.971 822 HG13 ILE 102 1HG1 ILE 102 -5.318 9.772 5.615 823 HG21 ILE 102 1HG2 ILE 102 -5.305 12.497 7.065 824 HG22 ILE 102 2HG2 ILE 102 -5.205 10.924 7.865 825 HG23 ILE 102 3HG2 ILE 102 -6.491 12.068 8.315 826 HD11 ILE 102 3HD1 ILE 102 -7.348 9.344 4.371 827 HD12 ILE 102 1HD1 ILE 102 -6.043 9.871 3.303 828 HD13 ILE 102 2HD1 ILE 102 -7.323 11.004 3.764 829 H ALA 103 H ALA 103 -6.690 7.866 6.020 830 HA ALA 103 HA ALA 103 -5.518 6.934 8.529 831 HB1 ALA 103 1HB ALA 103 -5.712 4.673 7.571 832 HB2 ALA 103 2HB ALA 103 -6.450 5.356 6.125 833 HB3 ALA 103 3HB ALA 103 -7.286 5.461 7.672 834 H TYR 104 H TYR 104 -3.359 6.479 8.484 835 HA TYR 104 HA TYR 104 -2.158 6.416 5.904 836 HB2 TYR 104 2HB TYR 104 -0.139 7.792 6.714 837 HB3 TYR 104 1HB TYR 104 -1.594 8.656 6.274 838 HD1 TYR 104 2HD TYR 104 0.589 7.635 8.981 839 HD2 TYR 104 1HD TYR 104 -2.905 9.714 7.878 840 HE1 TYR 104 2HE TYR 104 0.568 8.724 11.196 841 HE2 TYR 104 1HE TYR 104 -2.980 10.830 10.030 842 HH TYR 104 HH TYR 104 -1.914 10.005 12.484 843 H VAL 105 H VAL 105 0.269 5.890 6.003 844 HA VAL 105 HA VAL 105 0.012 3.235 7.077 845 HB VAL 105 HB VAL 105 1.344 4.449 4.702 846 HG11 VAL 105 1HG1 VAL 105 2.022 1.724 5.841 847 HG12 VAL 105 2HG1 VAL 105 3.145 3.066 5.631 848 HG13 VAL 105 3HG1 VAL 105 2.439 2.276 4.220 849 HG21 VAL 105 3HG2 VAL 105 0.192 2.581 3.637 850 HG22 VAL 105 1HG2 VAL 105 -0.850 3.711 4.519 851 HG23 VAL 105 2HG2 VAL 105 -0.434 2.147 5.251 852 H MET 106 H MET 106 1.150 2.345 8.339 853 HA MET 106 HA MET 106 3.905 3.041 8.921 854 HB2 MET 106 2HB MET 106 1.780 2.426 11.015 855 HB3 MET 106 1HB MET 106 3.496 2.583 11.341 856 HG2 MET 106 2HG MET 106 3.392 4.948 10.690 857 HG3 MET 106 1HG MET 106 1.667 4.779 10.386 858 HE1 MET 106 3HE MET 106 0.251 4.086 13.974 859 HE2 MET 106 1HE MET 106 0.786 2.846 12.839 860 HE3 MET 106 2HE MET 106 -0.120 4.237 12.256 861 H LEU 107 H LEU 107 4.782 0.986 10.149 862 HA LEU 107 HA LEU 107 3.766 -1.276 8.633 863 HB2 LEU 107 2HB LEU 107 6.337 -0.916 10.194 864 HB3 LEU 107 1HB LEU 107 5.848 -2.451 9.523 865 HG LEU 107 HG LEU 107 5.923 -1.373 7.236 866 HD11 LEU 107 1HD1 LEU 107 7.231 0.658 6.943 867 HD12 LEU 107 2HD1 LEU 107 7.319 0.860 8.692 868 HD13 LEU 107 3HD1 LEU 107 5.763 0.963 7.870 869 HD21 LEU 107 3HD2 LEU 107 8.485 -1.455 8.820 870 HD22 LEU 107 1HD2 LEU 107 8.362 -1.496 7.062 871 HD23 LEU 107 2HD2 LEU 107 7.700 -2.819 8.021 872 H GLY 108 H GLY 108 2.911 -3.092 9.564 873 HA2 GLY 108 2HA GLY 108 1.995 -2.648 12.288 874 HA3 GLY 108 1HA GLY 108 1.334 -3.805 11.134 875 H ASN 109 H ASN 109 1.521 -4.913 13.326 876 HA ASN 109 HA ASN 109 4.100 -5.753 14.205 877 HB2 ASN 109 2HB ASN 109 2.930 -7.262 15.749 878 HB3 ASN 109 1HB ASN 109 2.241 -5.644 15.788 879 HD21 ASN 109 1HD2 ASN 109 1.705 -8.956 14.957 880 HD22 ASN 109 2HD2 ASN 109 -0.004 -8.790 14.658 881 H LYS 110 H LYS 110 2.174 -6.819 11.647 882 HA LYS 110 HA LYS 110 3.427 -9.407 11.726 883 HB2 LYS 110 2HB LYS 110 1.054 -8.362 10.321 884 HB3 LYS 110 1HB LYS 110 1.953 -9.620 9.489 885 HG2 LYS 110 2HG LYS 110 0.936 -9.846 12.312 886 HG3 LYS 110 1HG LYS 110 0.102 -10.497 10.895 887 HD2 LYS 110 2HD LYS 110 1.974 -11.890 10.364 888 HD3 LYS 110 1HD LYS 110 2.934 -11.215 11.665 889 HE2 LYS 110 2HE LYS 110 1.272 -12.089 13.259 890 HE3 LYS 110 1HE LYS 110 0.447 -12.846 11.891 891 HZ1 LYS 110 3HZ LYS 110 3.296 -13.288 12.517 892 HZ2 LYS 110 1HZ LYS 110 2.367 -14.138 11.410 893 HZ3 LYS 110 2HZ LYS 110 2.085 -14.341 13.077 894 H ALA 111 H ALA 111 4.305 -6.503 10.628 895 HA ALA 111 HA ALA 111 5.303 -7.025 8.058 896 HB1 ALA 111 1HB ALA 111 6.730 -5.077 8.387 897 HB2 ALA 111 2HB ALA 111 6.411 -5.121 10.121 898 HB3 ALA 111 3HB ALA 111 5.103 -4.761 8.994 899 H GLN 112 H GLN 112 6.539 -7.837 11.214 900 HA GLN 112 HA GLN 112 9.144 -8.410 10.269 901 HB2 GLN 112 2HB GLN 112 9.661 -9.345 12.443 902 HB3 GLN 112 1HB GLN 112 8.690 -7.911 12.672 903 HG2 GLN 112 2HG GLN 112 7.766 -9.397 14.222 904 HG3 GLN 112 1HG GLN 112 6.722 -9.513 12.793 905 HE21 GLN 112 1HE2 GLN 112 9.842 -11.104 12.811 906 HE22 GLN 112 2HE2 GLN 112 9.213 -12.698 12.907 907 H THR 113 H THR 113 6.173 -10.209 10.477 908 HA THR 113 HA THR 113 7.401 -12.752 10.146 909 HB THR 113 HB THR 113 4.510 -12.079 9.466 910 HG1 THR 113 1HG THR 113 5.807 -12.206 11.975 911 HG21 THR 113 3HG2 THR 113 5.799 -14.570 10.578 912 HG22 THR 113 1HG2 THR 113 5.384 -14.326 8.882 913 HG23 THR 113 2HG2 THR 113 4.112 -14.383 10.102 914 H VAL 114 H VAL 114 6.352 -10.150 8.137 915 HA VAL 114 HA VAL 114 6.347 -11.539 5.649 916 HB VAL 114 HB VAL 114 6.966 -8.617 6.045 917 HG11 VAL 114 1HG1 VAL 114 5.813 -10.150 3.720 918 HG12 VAL 114 2HG1 VAL 114 7.382 -9.348 3.795 919 HG13 VAL 114 3HG1 VAL 114 5.895 -8.397 3.791 920 HG21 VAL 114 3HG2 VAL 114 4.903 -9.099 7.230 921 HG22 VAL 114 1HG2 VAL 114 4.243 -9.872 5.787 922 HG23 VAL 114 2HG2 VAL 114 4.586 -8.144 5.778 923 H LEU 115 H LEU 115 8.772 -9.591 7.402 924 HA LEU 115 HA LEU 115 10.720 -9.933 5.372 925 HB2 LEU 115 2HB LEU 115 12.375 -9.228 7.006 926 HB3 LEU 115 1HB LEU 115 11.083 -8.040 6.798 927 HG LEU 115 HG LEU 115 10.257 -9.279 9.009 928 HD11 LEU 115 1HD1 LEU 115 12.116 -9.911 10.455 929 HD12 LEU 115 2HD1 LEU 115 13.236 -9.663 9.110 930 HD13 LEU 115 3HD1 LEU 115 12.013 -10.931 9.013 931 HD21 LEU 115 3HD2 LEU 115 10.705 -6.906 8.825 932 HD22 LEU 115 1HD2 LEU 115 12.438 -7.205 8.936 933 HD23 LEU 115 2HD2 LEU 115 11.396 -7.542 10.320 934 H ASN 116 H ASN 116 9.973 -11.704 8.225 935 HA ASN 116 HA ASN 116 12.006 -13.694 7.910 936 HB2 ASN 116 2HB ASN 116 10.506 -13.307 9.947 937 HB3 ASN 116 1HB ASN 116 9.219 -14.084 9.053 938 HD21 ASN 116 1HD2 ASN 116 11.082 -16.210 7.950 939 HD22 ASN 116 2HD2 ASN 116 11.381 -17.221 9.316 940 H GLY 117 H GLY 117 8.928 -13.105 6.447 941 HA2 GLY 117 2HA GLY 117 7.923 -13.848 4.572 942 HA3 GLY 117 1HA GLY 117 9.381 -14.780 4.167 943 H ASN 118 H ASN 118 7.822 -15.144 7.158 944 HA ASN 118 HA ASN 118 6.829 -17.831 6.440 945 HB2 ASN 118 2HB ASN 118 8.305 -17.295 8.539 946 HB3 ASN 118 1HB ASN 118 6.854 -16.550 9.196 947 HD21 ASN 118 1HD2 ASN 118 5.066 -17.917 9.669 948 HD22 ASN 118 2HD2 ASN 118 5.299 -19.621 9.923 949 H LEU 119 H LEU 119 5.677 -15.550 5.378 950 HA LEU 119 HA LEU 119 3.069 -15.396 6.478 951 HB2 LEU 119 2HB LEU 119 4.045 -13.557 7.566 952 HB3 LEU 119 1HB LEU 119 5.113 -13.209 6.238 953 HG LEU 119 HG LEU 119 3.366 -11.499 6.734 954 HD11 LEU 119 1HD1 LEU 119 3.115 -12.663 3.983 955 HD12 LEU 119 2HD1 LEU 119 4.522 -11.828 4.547 956 HD13 LEU 119 3HD1 LEU 119 2.968 -10.943 4.424 957 HD21 LEU 119 3HD2 LEU 119 1.514 -12.961 7.300 958 HD22 LEU 119 1HD2 LEU 119 1.525 -13.623 5.666 959 HD23 LEU 119 2HD2 LEU 119 1.064 -11.938 5.926 960 H LYS 120 H LYS 120 1.854 -15.761 4.875 961 HA LYS 120 HA LYS 120 2.528 -14.711 2.298 962 HB2 LYS 120 2HB LYS 120 1.345 -16.689 1.301 963 HB3 LYS 120 1HB LYS 120 2.839 -17.099 2.110 964 HG2 LYS 120 2HG LYS 120 1.832 -18.510 3.444 965 HG3 LYS 120 1HG LYS 120 0.683 -17.292 3.959 966 HD2 LYS 120 2HD LYS 120 0.391 -18.918 1.398 967 HD3 LYS 120 1HD LYS 120 -0.459 -19.278 2.899 968 HE2 LYS 120 2HE LYS 120 -1.584 -17.098 2.795 969 HE3 LYS 120 1HE LYS 120 -0.707 -16.690 1.331 970 HZ1 LYS 120 3HZ LYS 120 -1.828 -18.469 0.180 971 HZ2 LYS 120 1HZ LYS 120 -2.943 -17.415 0.859 972 HZ3 LYS 120 2HZ LYS 120 -2.658 -18.931 1.568 973 H VAL 121 H VAL 121 0.802 -13.438 1.522 974 HA VAL 121 HA VAL 121 -1.629 -13.761 3.093 975 HB VAL 121 HB VAL 121 -2.359 -11.594 2.504 976 HG11 VAL 121 1HG1 VAL 121 -0.669 -10.086 3.476 977 HG12 VAL 121 2HG1 VAL 121 0.520 -11.382 3.348 978 HG13 VAL 121 3HG1 VAL 121 -0.881 -11.573 4.400 979 HG21 VAL 121 3HG2 VAL 121 0.029 -11.348 0.746 980 HG22 VAL 121 1HG2 VAL 121 -1.121 -10.027 1.099 981 HG23 VAL 121 2HG2 VAL 121 -1.671 -11.525 0.307 982 H ASP 122 H ASP 122 -3.493 -12.913 1.588 983 HA ASP 122 HA ASP 122 -3.230 -14.307 -0.932 984 HB2 ASP 122 2HB ASP 122 -5.551 -15.073 -0.582 985 HB3 ASP 122 1HB ASP 122 -4.405 -15.698 0.615 986 H PHE 123 H PHE 123 -3.894 -13.062 -2.568 987 HA PHE 123 HA PHE 123 -5.527 -10.808 -1.777 988 HB2 PHE 123 2HB PHE 123 -3.586 -9.994 -2.904 989 HB3 PHE 123 1HB PHE 123 -3.841 -11.104 -4.261 990 HD1 PHE 123 2HD PHE 123 -5.682 -8.454 -2.360 991 HD2 PHE 123 1HD PHE 123 -4.853 -10.276 -6.133 992 HE1 PHE 123 2HE PHE 123 -7.137 -6.846 -3.466 993 HE2 PHE 123 1HE PHE 123 -6.329 -8.660 -7.234 994 HZ PHE 123 HZ PHE 123 -7.472 -6.956 -5.908 995 H MET 124 H MET 124 -7.429 -11.032 -1.957 996 HA MET 124 HA MET 124 -8.694 -12.761 -3.906 997 HB2 MET 124 2HB MET 124 -10.781 -12.167 -2.575 998 HB3 MET 124 1HB MET 124 -9.534 -13.024 -1.681 999 HG2 MET 124 2HG MET 124 -8.804 -10.874 -0.710 1000 HG3 MET 124 1HG MET 124 -10.103 -10.066 -1.579 1001 HE1 MET 124 3HE MET 124 -9.190 -12.697 1.184 1002 HE2 MET 124 1HE MET 124 -10.289 -13.625 0.163 1003 HE3 MET 124 2HE MET 124 -10.778 -13.163 1.791 1004 H GLU 125 H GLU 125 -9.465 -12.023 -5.687 1005 HA GLU 125 HA GLU 125 -9.342 -9.125 -6.169 1006 HB2 GLU 125 2HB GLU 125 -8.008 -10.493 -7.653 1007 HB3 GLU 125 1HB GLU 125 -9.414 -11.443 -8.092 1008 HG2 GLU 125 2HG GLU 125 -10.390 -9.544 -9.221 1009 HG3 GLU 125 1HG GLU 125 -9.053 -8.515 -8.693 1010 H THR 126 H THR 126 -11.346 -11.650 -7.561 1011 HA THR 126 HA THR 126 -13.695 -9.986 -7.061 1012 HB THR 126 HB THR 126 -13.280 -11.850 -9.440 1013 HG1 THR 126 1HG THR 126 -12.056 -10.210 -10.079 1014 HG21 THR 126 3HG2 THR 126 -15.643 -11.463 -8.806 1015 HG22 THR 126 1HG2 THR 126 -15.266 -10.706 -10.354 1016 HG23 THR 126 2HG2 THR 126 -15.376 -9.721 -8.894 1017 H GLU 127 H GLU 127 -13.559 -11.146 -5.089 1018 HA GLU 127 HA GLU 127 -14.778 -13.735 -4.987 1019 HB2 GLU 127 2HB GLU 127 -12.075 -12.992 -3.802 1020 HB3 GLU 127 1HB GLU 127 -12.947 -14.472 -3.442 1021 HG2 GLU 127 2HG GLU 127 -12.443 -15.412 -5.495 1022 HG3 GLU 127 1HG GLU 127 -12.194 -13.848 -6.267 Start of MODEL 7 1 H1 CYS 1 1HT CYS 1 -20.256 -24.843 -10.073 2 H2 CYS 1 2HT CYS 1 -19.025 -25.971 -10.102 3 H3 CYS 1 3HT CYS 1 -20.655 -26.501 -10.195 4 HA CYS 1 HA CYS 1 -19.518 -26.537 -12.340 5 HB2 CYS 1 2HB CYS 1 -21.970 -25.921 -12.203 6 HB3 CYS 1 1HB CYS 1 -21.499 -24.228 -12.137 7 HG CYS 1 HG CYS 1 -22.493 -24.863 -14.724 8 H LYS 2 H LYS 2 -18.497 -25.183 -14.021 9 HA LYS 2 HA LYS 2 -16.717 -24.029 -14.681 10 HB2 LYS 2 2HB LYS 2 -16.820 -21.641 -14.590 11 HB3 LYS 2 1HB LYS 2 -18.493 -22.155 -14.512 12 HG2 LYS 2 2HG LYS 2 -18.539 -21.727 -12.118 13 HG3 LYS 2 1HG LYS 2 -16.825 -21.322 -12.136 14 HD2 LYS 2 2HD LYS 2 -17.380 -19.459 -13.726 15 HD3 LYS 2 1HD LYS 2 -19.088 -19.811 -13.437 16 HE2 LYS 2 2HE LYS 2 -18.435 -18.011 -11.981 17 HE3 LYS 2 1HE LYS 2 -18.679 -19.453 -10.999 18 HZ1 LYS 2 3HZ LYS 2 -16.091 -18.275 -11.855 19 HZ2 LYS 2 1HZ LYS 2 -16.195 -19.776 -11.064 20 HZ3 LYS 2 2HZ LYS 2 -16.682 -18.368 -10.288 21 H THR 3 H THR 3 -14.962 -22.170 -13.607 22 HA THR 3 HA THR 3 -13.543 -23.702 -11.736 23 HB THR 3 HB THR 3 -12.164 -21.523 -11.679 24 HG1 THR 3 1HG THR 3 -12.714 -19.974 -13.026 25 HG21 THR 3 3HG2 THR 3 -11.205 -21.956 -13.908 26 HG22 THR 3 1HG2 THR 3 -12.622 -22.918 -14.327 27 HG23 THR 3 2HG2 THR 3 -11.532 -23.463 -13.052 28 H LYS 4 H LYS 4 -13.555 -23.545 -9.571 29 HA LYS 4 HA LYS 4 -15.627 -22.088 -8.215 30 HB2 LYS 4 2HB LYS 4 -14.350 -24.404 -7.655 31 HB3 LYS 4 1HB LYS 4 -13.295 -23.326 -6.767 32 HG2 LYS 4 2HG LYS 4 -16.253 -23.514 -6.290 33 HG3 LYS 4 1HG LYS 4 -15.055 -24.457 -5.430 34 HD2 LYS 4 2HD LYS 4 -15.237 -21.433 -5.433 35 HD3 LYS 4 1HD LYS 4 -15.871 -22.478 -4.169 36 HE2 LYS 4 2HE LYS 4 -13.819 -21.853 -3.239 37 HE3 LYS 4 1HE LYS 4 -13.416 -23.348 -4.094 38 HZ1 LYS 4 3HZ LYS 4 -11.908 -21.297 -4.368 39 HZ2 LYS 4 1HZ LYS 4 -13.058 -20.764 -5.450 40 HZ3 LYS 4 2HZ LYS 4 -12.204 -22.208 -5.710 41 H ASP 5 H ASP 5 -12.416 -21.564 -9.171 42 HA ASP 5 HA ASP 5 -12.251 -18.988 -7.945 43 HB2 ASP 5 2HB ASP 5 -9.871 -19.581 -7.136 44 HB3 ASP 5 1HB ASP 5 -11.220 -20.117 -6.148 45 H TYR 6 H TYR 6 -10.834 -17.711 -8.956 46 HA TYR 6 HA TYR 6 -9.801 -18.663 -11.530 47 HB2 TYR 6 2HB TYR 6 -10.025 -15.803 -10.506 48 HB3 TYR 6 1HB TYR 6 -9.604 -16.291 -12.147 49 HD1 TYR 6 1HD TYR 6 -11.441 -18.049 -13.145 50 HD2 TYR 6 2HD TYR 6 -12.185 -15.030 -10.249 51 HE1 TYR 6 1HE TYR 6 -13.826 -18.088 -13.724 52 HE2 TYR 6 2HE TYR 6 -14.572 -15.062 -10.821 53 HH TYR 6 HH TYR 6 -15.952 -15.703 -12.767 54 H LYS 7 H LYS 7 -9.041 -17.890 -8.408 55 HA LYS 7 HA LYS 7 -7.401 -18.767 -7.288 56 HB2 LYS 7 2HB LYS 7 -5.687 -18.847 -9.756 57 HB3 LYS 7 1HB LYS 7 -5.145 -19.367 -8.161 58 HG2 LYS 7 2HG LYS 7 -7.066 -20.939 -8.094 59 HG3 LYS 7 1HG LYS 7 -7.426 -20.495 -9.754 60 HD2 LYS 7 2HD LYS 7 -5.213 -21.323 -10.425 61 HD3 LYS 7 1HD LYS 7 -4.902 -21.795 -8.749 62 HE2 LYS 7 2HE LYS 7 -7.082 -22.846 -10.553 63 HE3 LYS 7 1HE LYS 7 -5.668 -23.728 -9.981 64 HZ1 LYS 7 3HZ LYS 7 -7.625 -24.323 -8.670 65 HZ2 LYS 7 1HZ LYS 7 -7.915 -22.711 -8.309 66 HZ3 LYS 7 2HZ LYS 7 -6.566 -23.445 -7.676 67 H THR 8 H THR 8 -5.037 -18.245 -6.668 68 HA THR 8 HA THR 8 -5.369 -15.506 -5.719 69 HB THR 8 HB THR 8 -3.638 -17.692 -4.649 70 HG1 THR 8 1HG THR 8 -6.296 -17.116 -3.785 71 HG21 THR 8 3HG2 THR 8 -3.745 -16.380 -2.610 72 HG22 THR 8 1HG2 THR 8 -4.967 -15.319 -3.340 73 HG23 THR 8 2HG2 THR 8 -3.349 -15.304 -3.972 74 H ARG 9 H ARG 9 -3.937 -14.082 -5.931 75 HA ARG 9 HA ARG 9 -1.333 -14.737 -7.047 76 HB2 ARG 9 2HB ARG 9 -2.598 -12.798 -7.968 77 HB3 ARG 9 1HB ARG 9 -2.653 -12.137 -6.333 78 HG2 ARG 9 2HG ARG 9 -0.280 -11.918 -6.283 79 HG3 ARG 9 1HG ARG 9 -0.146 -12.677 -7.875 80 HD2 ARG 9 2HD ARG 9 -1.339 -10.844 -8.894 81 HD3 ARG 9 1HD ARG 9 -1.635 -10.141 -7.301 82 HE ARG 9 HE ARG 9 0.987 -10.082 -7.279 83 HH11 ARG 9 1HH1 ARG 9 -1.019 -9.355 -10.129 84 HH12 ARG 9 2HH1 ARG 9 -0.101 -8.100 -10.670 85 HH21 ARG 9 1HH2 ARG 9 2.343 -8.352 -8.045 86 HH22 ARG 9 2HH2 ARG 9 1.924 -7.488 -9.466 87 H ASP 10 H ASP 10 0.089 -15.281 -5.474 88 HA ASP 10 HA ASP 10 -0.586 -14.938 -2.695 89 HB2 ASP 10 2HB ASP 10 0.734 -16.801 -3.981 90 HB3 ASP 10 1HB ASP 10 2.116 -15.778 -3.586 91 H VAL 11 H VAL 11 -0.439 -12.956 -2.080 92 HA VAL 11 HA VAL 11 1.854 -11.440 -3.003 93 HB VAL 11 HB VAL 11 0.648 -9.344 -2.361 94 HG11 VAL 11 1HG1 VAL 11 -0.785 -11.113 -4.321 95 HG12 VAL 11 2HG1 VAL 11 0.645 -10.125 -4.657 96 HG13 VAL 11 3HG1 VAL 11 -0.887 -9.354 -4.235 97 HG21 VAL 11 3HG2 VAL 11 -0.782 -10.348 -0.733 98 HG22 VAL 11 1HG2 VAL 11 -1.667 -11.215 -1.989 99 HG23 VAL 11 2HG2 VAL 11 -1.730 -9.430 -1.929 100 H THR 12 H THR 12 2.850 -12.878 -1.265 101 HA THR 12 HA THR 12 3.041 -11.052 0.968 102 HB THR 12 HB THR 12 2.599 -13.144 1.777 103 HG1 THR 12 1HG THR 12 4.633 -13.815 2.695 104 HG21 THR 12 3HG2 THR 12 3.755 -15.195 1.165 105 HG22 THR 12 1HG2 THR 12 4.750 -14.256 0.019 106 HG23 THR 12 2HG2 THR 12 3.000 -14.371 -0.210 107 H ASP 13 H ASP 13 4.886 -12.709 -1.529 108 HA ASP 13 HA ASP 13 7.119 -11.080 -0.860 109 HB2 ASP 13 2HB ASP 13 6.725 -13.253 -2.871 110 HB3 ASP 13 1HB ASP 13 8.088 -12.143 -3.048 111 H ASP 14 H ASP 14 4.385 -10.792 -2.855 112 HA ASP 14 HA ASP 14 5.580 -8.756 -4.528 113 HB2 ASP 14 2HB ASP 14 3.377 -10.113 -4.990 114 HB3 ASP 14 1HB ASP 14 2.632 -8.946 -3.902 115 H VAL 15 H VAL 15 3.525 -9.025 -1.763 116 HA VAL 15 HA VAL 15 3.436 -6.360 -0.995 117 HB VAL 15 HB VAL 15 2.801 -9.003 0.292 118 HG11 VAL 15 1HG1 VAL 15 2.703 -6.374 1.794 119 HG12 VAL 15 2HG1 VAL 15 3.796 -7.730 2.132 120 HG13 VAL 15 3HG1 VAL 15 2.061 -7.938 2.328 121 HG21 VAL 15 3HG2 VAL 15 0.616 -8.117 0.339 122 HG22 VAL 15 1HG2 VAL 15 1.307 -7.907 -1.261 123 HG23 VAL 15 2HG2 VAL 15 1.179 -6.515 -0.173 124 H LYS 16 H LYS 16 5.909 -8.699 -0.705 125 HA LYS 16 HA LYS 16 7.338 -7.509 1.464 126 HB2 LYS 16 2HB LYS 16 7.382 -9.794 0.636 127 HB3 LYS 16 1HB LYS 16 8.412 -9.254 -0.686 128 HG2 LYS 16 2HG LYS 16 10.094 -8.512 0.887 129 HG3 LYS 16 1HG LYS 16 9.047 -8.944 2.244 130 HD2 LYS 16 2HD LYS 16 10.052 -10.810 0.154 131 HD3 LYS 16 1HD LYS 16 10.740 -10.633 1.789 132 HE2 LYS 16 2HE LYS 16 8.651 -11.368 2.766 133 HE3 LYS 16 1HE LYS 16 7.862 -11.442 1.226 134 HZ1 LYS 16 3HZ LYS 16 8.463 -13.659 1.725 135 HZ2 LYS 16 1HZ LYS 16 10.091 -13.253 2.063 136 HZ3 LYS 16 2HZ LYS 16 9.422 -13.127 0.504 137 H SER 17 H SER 17 7.487 -7.257 -2.089 138 HA SER 17 HA SER 17 9.638 -5.434 -1.963 139 HB2 SER 17 2HB SER 17 9.022 -4.780 -4.322 140 HB3 SER 17 1HB SER 17 9.192 -6.515 -4.109 141 HG SER 17 HG SER 17 6.637 -6.098 -3.721 142 H ILE 18 H ILE 18 6.220 -5.122 -1.642 143 HA ILE 18 HA ILE 18 5.970 -2.325 -1.532 144 HB ILE 18 HB ILE 18 4.443 -4.638 -0.400 145 HG12 ILE 18 2HG1 ILE 18 3.696 -2.544 -2.449 146 HG13 ILE 18 1HG1 ILE 18 4.222 -4.187 -2.786 147 HG21 ILE 18 1HG2 ILE 18 2.660 -3.187 0.417 148 HG22 ILE 18 2HG2 ILE 18 3.720 -1.781 0.170 149 HG23 ILE 18 3HG2 ILE 18 4.189 -3.065 1.302 150 HD11 ILE 18 3HD1 ILE 18 1.803 -3.889 -3.016 151 HD12 ILE 18 1HD1 ILE 18 1.715 -3.424 -1.319 152 HD13 ILE 18 2HD1 ILE 18 2.200 -5.066 -1.769 153 H VAL 19 H VAL 19 6.484 -4.736 1.013 154 HA VAL 19 HA VAL 19 6.773 -3.077 3.220 155 HB VAL 19 HB VAL 19 8.189 -5.662 2.613 156 HG11 VAL 19 1HG1 VAL 19 7.798 -4.219 5.248 157 HG12 VAL 19 2HG1 VAL 19 9.345 -4.420 4.418 158 HG13 VAL 19 3HG1 VAL 19 8.509 -5.828 5.093 159 HG21 VAL 19 3HG2 VAL 19 5.778 -5.770 2.663 160 HG22 VAL 19 1HG2 VAL 19 5.818 -5.077 4.290 161 HG23 VAL 19 2HG2 VAL 19 6.525 -6.708 3.965 162 H ARG 20 H ARG 20 9.228 -4.281 0.989 163 HA ARG 20 HA ARG 20 11.492 -3.049 2.002 164 HB2 ARG 20 2HB ARG 20 11.594 -4.618 0.139 165 HB3 ARG 20 1HB ARG 20 10.698 -3.507 -0.880 166 HG2 ARG 20 2HG ARG 20 12.905 -3.296 -1.600 167 HG3 ARG 20 1HG ARG 20 12.653 -1.901 -0.567 168 HD2 ARG 20 2HD ARG 20 14.071 -4.456 0.201 169 HD3 ARG 20 1HD ARG 20 14.846 -2.940 -0.213 170 HE ARG 20 HE ARG 20 13.292 -3.485 2.223 171 HH11 ARG 20 1HH1 ARG 20 15.310 -1.203 0.478 172 HH12 ARG 20 2HH1 ARG 20 16.145 -0.612 1.811 173 HH21 ARG 20 1HH2 ARG 20 14.371 -2.615 4.189 174 HH22 ARG 20 2HH2 ARG 20 15.565 -1.424 4.002 175 H PHE 21 H PHE 21 9.232 -1.835 -0.429 176 HA PHE 21 HA PHE 21 10.276 0.647 -0.938 177 HB2 PHE 21 2HB PHE 21 8.515 -0.383 -2.206 178 HB3 PHE 21 1HB PHE 21 7.381 -0.155 -0.875 179 HD1 PHE 21 2HD PHE 21 9.537 1.631 -3.275 180 HD2 PHE 21 1HD PHE 21 6.187 1.868 -0.672 181 HE1 PHE 21 2HE PHE 21 9.008 3.820 -4.185 182 HE2 PHE 21 1HE PHE 21 5.640 4.086 -1.573 183 HZ PHE 21 HZ PHE 21 7.051 5.079 -3.325 184 H VAL 22 H VAL 22 7.657 -0.075 1.391 185 HA VAL 22 HA VAL 22 7.636 2.594 2.305 186 HB VAL 22 HB VAL 22 6.141 1.811 4.128 187 HG11 VAL 22 1HG1 VAL 22 4.289 1.107 2.675 188 HG12 VAL 22 2HG1 VAL 22 5.442 0.795 1.378 189 HG13 VAL 22 3HG1 VAL 22 5.207 2.438 1.972 190 HG21 VAL 22 3HG2 VAL 22 6.526 -0.889 2.870 191 HG22 VAL 22 1HG2 VAL 22 5.400 -0.523 4.185 192 HG23 VAL 22 2HG2 VAL 22 7.160 -0.392 4.435 193 H GLN 23 H GLN 23 9.175 -0.344 3.569 194 HA GLN 23 HA GLN 23 10.151 0.777 5.925 195 HB2 GLN 23 2HB GLN 23 10.229 -1.609 5.469 196 HB3 GLN 23 1HB GLN 23 11.386 -1.346 4.179 197 HG2 GLN 23 2HG GLN 23 13.038 -0.599 5.789 198 HG3 GLN 23 1HG GLN 23 11.869 -0.800 7.096 199 HE21 GLN 23 1HE2 GLN 23 11.301 -2.842 7.729 200 HE22 GLN 23 2HE2 GLN 23 12.224 -4.242 7.299 201 H GLU 24 H GLU 24 11.772 0.705 2.718 202 HA GLU 24 HA GLU 24 13.969 2.219 3.806 203 HB2 GLU 24 2HB GLU 24 14.877 2.267 1.511 204 HB3 GLU 24 1HB GLU 24 14.499 0.643 2.059 205 HG2 GLU 24 2HG GLU 24 12.525 0.591 0.714 206 HG3 GLU 24 1HG GLU 24 12.721 2.288 0.292 207 H HIS 25 H HIS 25 10.956 3.025 2.384 208 HA HIS 25 HA HIS 25 12.072 5.679 1.886 209 HB2 HIS 25 2HB HIS 25 9.649 4.459 0.553 210 HB3 HIS 25 1HB HIS 25 10.102 6.154 0.392 211 HD1 HIS 25 1HD HIS 25 12.576 6.564 -0.745 212 HD2 HIS 25 2HD HIS 25 10.918 2.773 -1.152 213 HE1 HIS 25 1HE HIS 25 13.926 5.420 -2.503 214 HE2 HIS 25 2HE HIS 25 13.231 3.036 -2.161 215 H SER 26 H SER 26 11.045 4.461 4.376 216 HA SER 26 HA SER 26 8.882 6.022 5.252 217 HB2 SER 26 2HB SER 26 9.870 4.111 6.557 218 HB3 SER 26 1HB SER 26 11.310 5.085 6.846 219 HG SER 26 HG SER 26 9.022 6.378 7.543 220 H SER 27 H SER 27 12.283 6.614 4.822 221 HA SER 27 HA SER 27 11.965 9.431 5.433 222 HB2 SER 27 2HB SER 27 14.352 7.854 4.397 223 HB3 SER 27 1HB SER 27 14.380 9.519 4.985 224 HG SER 27 HG SER 27 13.256 7.842 6.782 225 H SER 28 H SER 28 11.163 10.634 3.811 226 HA SER 28 HA SER 28 10.406 9.571 1.344 227 HB2 SER 28 2HB SER 28 10.440 12.403 2.337 228 HB3 SER 28 1HB SER 28 9.543 11.820 0.933 229 HG SER 28 HG SER 28 8.851 10.173 2.737 230 H GLN 29 H GLN 29 13.332 9.533 1.509 231 HA GLN 29 HA GLN 29 14.281 11.480 -0.377 232 HB2 GLN 29 2HB GLN 29 15.814 10.479 1.313 233 HB3 GLN 29 1HB GLN 29 15.593 8.908 0.559 234 HG2 GLN 29 2HG GLN 29 17.715 9.936 -0.100 235 HG3 GLN 29 1HG GLN 29 16.645 9.705 -1.482 236 HE21 GLN 29 1HE2 GLN 29 18.105 12.019 0.640 237 HE22 GLN 29 2HE2 GLN 29 17.773 13.422 -0.296 238 H GLY 30 H GLY 30 14.226 11.311 -2.469 239 HA2 GLY 30 2HA GLY 30 14.228 10.128 -4.553 240 HA3 GLY 30 1HA GLY 30 13.523 8.746 -3.717 241 H MET 31 H MET 31 11.694 10.570 -2.241 242 HA MET 31 HA MET 31 9.522 10.412 -4.137 243 HB2 MET 31 2HB MET 31 9.576 11.344 -1.263 244 HB3 MET 31 1HB MET 31 8.120 11.119 -2.224 245 HG2 MET 31 2HG MET 31 8.563 8.750 -2.412 246 HG3 MET 31 1HG MET 31 10.093 8.943 -1.563 247 HE1 MET 31 3HE MET 31 6.617 10.667 -0.722 248 HE2 MET 31 1HE MET 31 5.953 9.492 0.409 249 HE3 MET 31 2HE MET 31 6.184 9.054 -1.285 250 H ARG 32 H ARG 32 11.791 12.513 -3.829 251 HA ARG 32 HA ARG 32 10.259 14.962 -4.198 252 HB2 ARG 32 2HB ARG 32 12.511 16.031 -4.421 253 HB3 ARG 32 1HB ARG 32 12.280 15.195 -2.893 254 HG2 ARG 32 2HG ARG 32 13.608 13.328 -3.659 255 HG3 ARG 32 1HG ARG 32 13.746 14.049 -5.261 256 HD2 ARG 32 2HD ARG 32 15.024 15.896 -4.354 257 HD3 ARG 32 1HD ARG 32 14.793 15.284 -2.718 258 HE ARG 32 HE ARG 32 16.191 13.459 -3.202 259 HH11 ARG 32 1HH1 ARG 32 16.183 15.881 -5.805 260 HH12 ARG 32 2HH1 ARG 32 17.675 15.420 -6.460 261 HH21 ARG 32 1HH2 ARG 32 18.263 12.806 -4.100 262 HH22 ARG 32 2HH2 ARG 32 18.914 13.606 -5.451 263 H ASN 33 H ASN 33 11.450 12.365 -6.046 264 HA ASN 33 HA ASN 33 11.840 13.998 -8.417 265 HB2 ASN 33 2HB ASN 33 13.483 12.188 -7.853 266 HB3 ASN 33 1HB ASN 33 12.192 11.016 -8.117 267 HD21 ASN 33 1HD2 ASN 33 11.512 10.605 -10.231 268 HD22 ASN 33 2HD2 ASN 33 12.437 11.124 -11.606 269 H ILE 34 H ILE 34 9.740 14.603 -8.451 270 HA ILE 34 HA ILE 34 8.125 13.324 -10.328 271 HB ILE 34 HB ILE 34 7.569 11.788 -8.436 272 HG12 ILE 34 2HG1 ILE 34 5.256 13.623 -9.078 273 HG13 ILE 34 1HG1 ILE 34 5.809 12.315 -10.110 274 HG21 ILE 34 1HG2 ILE 34 8.005 13.250 -6.582 275 HG22 ILE 34 2HG2 ILE 34 6.380 12.567 -6.481 276 HG23 ILE 34 3HG2 ILE 34 6.600 14.245 -7.000 277 HD11 ILE 34 3HD1 ILE 34 4.642 12.052 -7.349 278 HD12 ILE 34 1HD1 ILE 34 5.226 10.717 -8.338 279 HD13 ILE 34 2HD1 ILE 34 3.846 11.661 -8.875 280 H LYS 35 H LYS 35 6.214 14.775 -10.790 281 HA LYS 35 HA LYS 35 6.919 17.380 -9.797 282 HB2 LYS 35 2HB LYS 35 6.660 16.888 -12.277 283 HB3 LYS 35 1HB LYS 35 4.928 16.888 -11.978 284 HG2 LYS 35 2HG LYS 35 5.574 19.059 -12.790 285 HG3 LYS 35 1HG LYS 35 5.109 19.199 -11.096 286 HD2 LYS 35 2HD LYS 35 7.967 18.662 -11.430 287 HD3 LYS 35 1HD LYS 35 7.470 20.136 -12.245 288 HE2 LYS 35 2HE LYS 35 8.231 20.699 -10.028 289 HE3 LYS 35 1HE LYS 35 6.485 20.928 -10.097 290 HZ1 LYS 35 3HZ LYS 35 7.848 18.570 -8.859 291 HZ2 LYS 35 1HZ LYS 35 6.186 18.903 -8.850 292 HZ3 LYS 35 2HZ LYS 35 7.253 19.900 -8.018 293 H HIS 36 H HIS 36 4.478 15.062 -9.360 294 HA HIS 36 HA HIS 36 2.240 16.584 -8.675 295 HB2 HIS 36 2HB HIS 36 2.273 14.087 -8.898 296 HB3 HIS 36 1HB HIS 36 3.133 13.993 -7.371 297 HD1 HIS 36 1HD HIS 36 1.695 14.745 -5.185 298 HD2 HIS 36 2HD HIS 36 -0.458 14.281 -8.712 299 HE1 HIS 36 1HE HIS 36 -0.680 14.546 -4.490 300 HE2 HIS 36 2HE HIS 36 -1.808 13.794 -6.577 301 H VAL 37 H VAL 37 1.740 17.830 -7.000 302 HA VAL 37 HA VAL 37 3.674 18.766 -5.219 303 HB VAL 37 HB VAL 37 1.846 20.043 -4.163 304 HG11 VAL 37 1HG1 VAL 37 1.765 20.016 -7.176 305 HG12 VAL 37 2HG1 VAL 37 2.900 20.917 -6.171 306 HG13 VAL 37 3HG1 VAL 37 1.185 21.329 -6.151 307 HG21 VAL 37 3HG2 VAL 37 0.070 18.361 -4.273 308 HG22 VAL 37 1HG2 VAL 37 0.039 18.489 -6.030 309 HG23 VAL 37 2HG2 VAL 37 -0.454 19.862 -5.037 310 H GLY 38 H GLY 38 3.321 18.944 -2.850 311 HA2 GLY 38 2HA GLY 38 2.248 17.842 -0.914 312 HA3 GLY 38 1HA GLY 38 2.578 16.325 -1.746 313 HA PRO 39 HA PRO 39 6.510 18.106 0.390 314 HB2 PRO 39 2HB PRO 39 6.141 18.158 3.041 315 HB3 PRO 39 1HB PRO 39 5.591 19.510 2.026 316 HG2 PRO 39 2HG PRO 39 3.994 17.277 3.173 317 HG3 PRO 39 1HG PRO 39 3.610 19.008 3.090 318 HD2 PRO 39 2HD PRO 39 2.620 17.178 1.327 319 HD3 PRO 39 1HD PRO 39 2.878 18.889 0.932 320 H SER 40 H SER 40 4.750 15.421 0.387 321 HA SER 40 HA SER 40 5.068 13.199 0.739 322 HB2 SER 40 2HB SER 40 7.949 13.967 1.352 323 HB3 SER 40 1HB SER 40 7.368 12.368 0.875 324 HG SER 40 HG SER 40 7.861 14.614 -0.597 325 H GLY 41 H GLY 41 6.861 11.971 2.842 326 HA2 GLY 41 2HA GLY 41 6.960 11.691 5.109 327 HA3 GLY 41 1HA GLY 41 6.133 13.226 5.314 328 H ARG 42 H ARG 42 3.858 12.620 3.824 329 HA ARG 42 HA ARG 42 2.466 10.934 5.710 330 HB2 ARG 42 2HB ARG 42 1.414 12.613 3.438 331 HB3 ARG 42 1HB ARG 42 0.411 11.704 4.556 332 HG2 ARG 42 2HG ARG 42 1.404 13.073 6.417 333 HG3 ARG 42 1HG ARG 42 2.183 14.058 5.180 334 HD2 ARG 42 2HD ARG 42 0.002 14.593 4.223 335 HD3 ARG 42 1HD ARG 42 -0.777 13.593 5.449 336 HE ARG 42 HE ARG 42 0.896 15.798 6.333 337 HH11 ARG 42 1HH1 ARG 42 -2.365 14.477 5.968 338 HH12 ARG 42 2HH1 ARG 42 -3.152 15.648 6.905 339 HH21 ARG 42 1HH2 ARG 42 -0.176 17.479 7.663 340 HH22 ARG 42 2HH2 ARG 42 -1.856 17.419 7.895 341 H PHE 43 H PHE 43 2.512 8.888 5.357 342 HA PHE 43 HA PHE 43 2.313 7.784 2.610 343 HB2 PHE 43 2HB PHE 43 3.112 6.357 5.159 344 HB3 PHE 43 1HB PHE 43 3.267 5.766 3.509 345 HD1 PHE 43 2HD PHE 43 4.830 7.112 1.955 346 HD2 PHE 43 1HD PHE 43 4.885 7.378 6.198 347 HE1 PHE 43 2HE PHE 43 7.102 8.039 1.868 348 HE2 PHE 43 1HE PHE 43 7.154 8.308 6.115 349 HZ PHE 43 HZ PHE 43 8.263 8.640 3.949 350 H THR 44 H THR 44 0.335 7.512 2.142 351 HA THR 44 HA THR 44 -1.422 6.368 4.171 352 HB THR 44 HB THR 44 -3.273 7.628 3.101 353 HG1 THR 44 1HG THR 44 -1.825 9.402 1.693 354 HG21 THR 44 3HG2 THR 44 -2.017 8.670 4.967 355 HG22 THR 44 1HG2 THR 44 -2.634 9.867 3.824 356 HG23 THR 44 2HG2 THR 44 -0.931 9.407 3.794 357 H MET 45 H MET 45 -3.050 4.957 3.307 358 HA MET 45 HA MET 45 -2.186 2.942 1.675 359 HB2 MET 45 2HB MET 45 -4.539 2.210 1.435 360 HB3 MET 45 1HB MET 45 -4.130 2.631 3.089 361 HG2 MET 45 2HG MET 45 -5.350 4.684 2.964 362 HG3 MET 45 1HG MET 45 -5.523 4.541 1.221 363 HE1 MET 45 3HE MET 45 -8.185 1.829 0.730 364 HE2 MET 45 1HE MET 45 -6.433 1.622 0.661 365 HE3 MET 45 2HE MET 45 -7.177 3.073 -0.004 366 H ASN 46 H ASN 46 -3.884 5.830 0.687 367 HA ASN 46 HA ASN 46 -4.684 4.893 -1.873 368 HB2 ASN 46 2HB ASN 46 -5.797 6.728 -0.583 369 HB3 ASN 46 1HB ASN 46 -4.419 7.756 -0.955 370 HD21 ASN 46 1HD2 ASN 46 -7.226 6.123 -2.240 371 HD22 ASN 46 2HD2 ASN 46 -7.251 6.970 -3.717 372 H MET 47 H MET 47 -1.965 6.770 -0.686 373 HA MET 47 HA MET 47 -0.882 7.484 -3.203 374 HB2 MET 47 2HB MET 47 0.307 7.327 -0.437 375 HB3 MET 47 1HB MET 47 1.246 7.832 -1.833 376 HG2 MET 47 2HG MET 47 -1.278 9.176 -0.901 377 HG3 MET 47 1HG MET 47 0.350 9.694 -0.462 378 HE1 MET 47 3HE MET 47 -0.913 12.402 -3.045 379 HE2 MET 47 1HE MET 47 -0.333 12.132 -1.402 380 HE3 MET 47 2HE MET 47 -1.912 11.518 -1.891 381 H LEU 48 H LEU 48 -0.442 4.792 -1.027 382 HA LEU 48 HA LEU 48 1.815 3.662 -2.267 383 HB2 LEU 48 2HB LEU 48 -0.347 2.287 -0.684 384 HB3 LEU 48 1HB LEU 48 1.225 1.608 -1.064 385 HG LEU 48 HG LEU 48 0.654 3.961 0.733 386 HD11 LEU 48 1HD1 LEU 48 1.547 2.521 2.479 387 HD12 LEU 48 2HD1 LEU 48 1.709 1.209 1.310 388 HD13 LEU 48 3HD1 LEU 48 0.112 1.833 1.723 389 HD21 LEU 48 3HD2 LEU 48 3.067 3.947 1.217 390 HD22 LEU 48 1HD2 LEU 48 2.728 4.354 -0.465 391 HD23 LEU 48 2HD2 LEU 48 3.304 2.739 -0.049 392 H VAL 49 H VAL 49 -1.704 3.119 -2.820 393 HA VAL 49 HA VAL 49 -1.507 1.040 -4.592 394 HB VAL 49 HB VAL 49 -3.497 3.238 -4.111 395 HG11 VAL 49 1HG1 VAL 49 -5.060 1.821 -5.268 396 HG12 VAL 49 2HG1 VAL 49 -3.704 0.701 -5.616 397 HG13 VAL 49 3HG1 VAL 49 -3.696 2.352 -6.272 398 HG21 VAL 49 3HG2 VAL 49 -3.355 0.393 -3.209 399 HG22 VAL 49 1HG2 VAL 49 -4.683 1.517 -2.891 400 HG23 VAL 49 2HG2 VAL 49 -3.073 1.845 -2.236 401 H ASP 50 H ASP 50 -1.697 4.503 -4.894 402 HA ASP 50 HA ASP 50 -1.972 4.633 -7.686 403 HB2 ASP 50 2HB ASP 50 -2.343 6.458 -5.854 404 HB3 ASP 50 1HB ASP 50 -0.638 6.818 -6.106 405 H ILE 51 H ILE 51 0.833 4.627 -5.601 406 HA ILE 51 HA ILE 51 2.807 4.876 -7.631 407 HB ILE 51 HB ILE 51 2.915 3.838 -4.779 408 HG12 ILE 51 2HG1 ILE 51 4.061 6.268 -6.083 409 HG13 ILE 51 1HG1 ILE 51 2.500 6.246 -5.232 410 HG21 ILE 51 1HG2 ILE 51 4.709 2.833 -6.406 411 HG22 ILE 51 2HG2 ILE 51 5.198 3.515 -4.868 412 HG23 ILE 51 3HG2 ILE 51 5.425 4.459 -6.323 413 HD11 ILE 51 3HD1 ILE 51 3.708 5.752 -3.186 414 HD12 ILE 51 1HD1 ILE 51 4.296 7.215 -4.008 415 HD13 ILE 51 2HD1 ILE 51 5.209 5.701 -4.146 416 H PHE 52 H PHE 52 1.536 2.058 -5.878 417 HA PHE 52 HA PHE 52 2.891 0.001 -7.035 418 HB2 PHE 52 2HB PHE 52 1.280 -0.077 -5.120 419 HB3 PHE 52 1HB PHE 52 -0.031 0.036 -6.280 420 HD1 PHE 52 2HD PHE 52 2.981 -2.066 -5.629 421 HD2 PHE 52 1HD PHE 52 -1.094 -1.905 -6.831 422 HE1 PHE 52 2HE PHE 52 2.921 -4.519 -5.743 423 HE2 PHE 52 1HE PHE 52 -1.163 -4.355 -6.939 424 HZ PHE 52 HZ PHE 52 0.847 -5.667 -6.394 425 H LEU 53 H LEU 53 -0.008 1.589 -8.316 426 HA LEU 53 HA LEU 53 -0.041 -0.077 -10.661 427 HB2 LEU 53 2HB LEU 53 -1.713 2.130 -9.647 428 HB3 LEU 53 1HB LEU 53 -1.659 1.945 -11.384 429 HG LEU 53 HG LEU 53 -2.486 -0.353 -11.173 430 HD11 LEU 53 1HD1 LEU 53 -3.417 -1.134 -9.092 431 HD12 LEU 53 2HD1 LEU 53 -2.624 0.194 -8.214 432 HD13 LEU 53 3HD1 LEU 53 -1.668 -1.031 -9.078 433 HD21 LEU 53 3HD2 LEU 53 -4.724 0.167 -10.438 434 HD22 LEU 53 1HD2 LEU 53 -4.073 1.411 -11.514 435 HD23 LEU 53 2HD2 LEU 53 -4.149 1.699 -9.770 436 H GLY 54 H GLY 54 1.321 2.997 -9.851 437 HA2 GLY 54 2HA GLY 54 3.121 3.921 -11.112 438 HA3 GLY 54 1HA GLY 54 2.531 3.058 -12.526 439 H SER 55 H SER 55 0.583 5.019 -10.393 440 HA SER 55 HA SER 55 -0.382 6.515 -12.657 441 HB2 SER 55 2HB SER 55 -1.851 5.421 -10.927 442 HB3 SER 55 1HB SER 55 -1.171 6.502 -9.774 443 HG SER 55 HG SER 55 -2.762 7.606 -10.228 444 H LYS 56 H LYS 56 -1.032 8.943 -11.669 445 HA LYS 56 HA LYS 56 1.588 10.062 -10.985 446 HB2 LYS 56 2HB LYS 56 -0.279 10.971 -13.113 447 HB3 LYS 56 1HB LYS 56 0.581 12.212 -12.227 448 HG2 LYS 56 2HG LYS 56 2.126 11.948 -13.861 449 HG3 LYS 56 1HG LYS 56 2.656 10.600 -12.879 450 HD2 LYS 56 2HD LYS 56 0.698 10.321 -15.172 451 HD3 LYS 56 1HD LYS 56 2.434 10.185 -15.373 452 HE2 LYS 56 2HE LYS 56 0.710 8.428 -13.630 453 HE3 LYS 56 1HE LYS 56 1.321 8.002 -15.225 454 HZ1 LYS 56 3HZ LYS 56 2.648 7.019 -13.495 455 HZ2 LYS 56 1HZ LYS 56 2.972 8.512 -12.793 456 HZ3 LYS 56 2HZ LYS 56 3.610 8.164 -14.299 457 H SER 57 H SER 57 -1.115 9.529 -9.424 458 HA SER 57 HA SER 57 -1.393 12.174 -8.243 459 HB2 SER 57 2HB SER 57 -2.692 9.541 -7.472 460 HB3 SER 57 1HB SER 57 -3.188 11.153 -6.952 461 HG SER 57 HG SER 57 -3.911 9.792 -9.069 462 H ALA 58 H ALA 58 0.163 9.287 -8.028 463 HA ALA 58 HA ALA 58 1.043 8.702 -5.580 464 HB1 ALA 58 1HB ALA 58 2.922 7.687 -6.765 465 HB2 ALA 58 2HB ALA 58 2.572 8.681 -8.168 466 HB3 ALA 58 3HB ALA 58 1.415 7.469 -7.664 467 H LYS 59 H LYS 59 3.397 8.920 -4.852 468 HA LYS 59 HA LYS 59 4.190 11.728 -5.021 469 HB2 LYS 59 2HB LYS 59 4.064 9.963 -2.645 470 HB3 LYS 59 1HB LYS 59 5.258 11.246 -2.678 471 HG2 LYS 59 2HG LYS 59 2.285 11.585 -2.996 472 HG3 LYS 59 1HG LYS 59 3.215 11.918 -1.539 473 HD2 LYS 59 2HD LYS 59 3.514 13.380 -4.199 474 HD3 LYS 59 1HD LYS 59 2.679 13.977 -2.783 475 HE2 LYS 59 2HE LYS 59 4.746 15.060 -2.682 476 HE3 LYS 59 1HE LYS 59 4.930 13.725 -1.561 477 HZ1 LYS 59 3HZ LYS 59 6.118 13.985 -4.284 478 HZ2 LYS 59 1HZ LYS 59 6.180 12.527 -3.432 479 HZ3 LYS 59 2HZ LYS 59 6.897 13.873 -2.812 480 H ILE 60 H ILE 60 5.248 9.057 -6.319 481 HA ILE 60 HA ILE 60 7.847 10.104 -6.578 482 HB ILE 60 HB ILE 60 7.917 8.570 -4.512 483 HG12 ILE 60 2HG1 ILE 60 9.505 7.669 -6.892 484 HG13 ILE 60 1HG1 ILE 60 9.863 9.085 -5.906 485 HG21 ILE 60 1HG2 ILE 60 7.376 6.437 -6.579 486 HG22 ILE 60 2HG2 ILE 60 6.303 6.918 -5.269 487 HG23 ILE 60 3HG2 ILE 60 7.854 6.146 -4.904 488 HD11 ILE 60 3HD1 ILE 60 10.238 7.637 -3.963 489 HD12 ILE 60 1HD1 ILE 60 11.300 7.178 -5.299 490 HD13 ILE 60 2HD1 ILE 60 9.853 6.225 -4.946 491 H GLN 61 H GLN 61 8.834 8.769 -8.461 492 HA GLN 61 HA GLN 61 6.696 7.426 -9.980 493 HB2 GLN 61 2HB GLN 61 8.847 9.269 -11.056 494 HB3 GLN 61 1HB GLN 61 7.776 8.303 -12.052 495 HG2 GLN 61 2HG GLN 61 6.859 10.473 -10.160 496 HG3 GLN 61 1HG GLN 61 7.145 10.718 -11.874 497 HE21 GLN 61 1HE2 GLN 61 5.048 9.344 -9.500 498 HE22 GLN 61 2HE2 GLN 61 3.705 9.015 -10.513 499 H SER 62 H SER 62 8.964 6.414 -8.211 500 HA SER 62 HA SER 62 9.927 4.396 -10.038 501 HB2 SER 62 2HB SER 62 11.856 6.165 -8.499 502 HB3 SER 62 1HB SER 62 12.297 4.753 -9.460 503 HG SER 62 HG SER 62 10.846 6.298 -11.006 504 H GLY 63 H GLY 63 10.529 2.481 -8.932 505 HA2 GLY 63 2HA GLY 63 10.873 1.053 -7.101 506 HA3 GLY 63 1HA GLY 63 10.707 2.438 -6.025 507 H ILE 64 H ILE 64 9.223 -0.377 -7.072 508 HA ILE 64 HA ILE 64 7.201 -1.346 -6.782 509 HB ILE 64 HB ILE 64 7.093 0.893 -4.859 510 HG12 ILE 64 2HG1 ILE 64 8.117 -1.291 -4.331 511 HG13 ILE 64 1HG1 ILE 64 6.848 -0.804 -3.205 512 HG21 ILE 64 1HG2 ILE 64 4.917 0.395 -4.002 513 HG22 ILE 64 2HG2 ILE 64 4.649 -0.718 -5.370 514 HG23 ILE 64 3HG2 ILE 64 4.836 1.025 -5.665 515 HD11 ILE 64 3HD1 ILE 64 6.510 -2.749 -5.458 516 HD12 ILE 64 1HD1 ILE 64 5.278 -2.241 -4.316 517 HD13 ILE 64 2HD1 ILE 64 6.676 -3.167 -3.747 518 H PHE 65 H PHE 65 7.453 1.677 -8.003 519 HA PHE 65 HA PHE 65 4.945 2.257 -9.007 520 HB2 PHE 65 2HB PHE 65 7.201 3.587 -8.767 521 HB3 PHE 65 1HB PHE 65 7.452 3.024 -10.427 522 HD1 PHE 65 1HD PHE 65 5.321 4.818 -8.133 523 HD2 PHE 65 2HD PHE 65 6.275 4.046 -12.176 524 HE1 PHE 65 1HE PHE 65 3.933 6.603 -8.704 525 HE2 PHE 65 2HE PHE 65 4.830 5.918 -12.860 526 HZ PHE 65 HZ PHE 65 3.638 7.206 -11.141 527 H GLY 66 H GLY 66 3.927 0.740 -10.163 528 HA2 GLY 66 2HA GLY 66 3.537 -0.136 -12.354 529 HA3 GLY 66 1HA GLY 66 5.281 -0.264 -12.568 530 H LYS 67 H LYS 67 4.705 -1.274 -9.477 531 HA LYS 67 HA LYS 67 5.232 -3.951 -10.172 532 HB2 LYS 67 2HB LYS 67 4.886 -2.505 -7.646 533 HB3 LYS 67 1HB LYS 67 4.523 -4.222 -7.589 534 HG2 LYS 67 2HG LYS 67 7.102 -3.026 -8.579 535 HG3 LYS 67 1HG LYS 67 6.849 -3.700 -6.979 536 HD2 LYS 67 2HD LYS 67 6.536 -5.297 -9.543 537 HD3 LYS 67 1HD LYS 67 7.994 -5.254 -8.573 538 HE2 LYS 67 2HE LYS 67 6.725 -7.280 -8.088 539 HE3 LYS 67 1HE LYS 67 6.756 -6.241 -6.673 540 HZ1 LYS 67 3HZ LYS 67 4.515 -5.810 -6.847 541 HZ2 LYS 67 1HZ LYS 67 4.551 -7.371 -7.317 542 HZ3 LYS 67 2HZ LYS 67 4.366 -6.172 -8.479 543 H GLY 68 H GLY 68 2.239 -2.376 -9.881 544 HA2 GLY 68 2HA GLY 68 0.945 -4.947 -10.357 545 HA3 GLY 68 1HA GLY 68 0.400 -4.010 -8.971 546 H SER 69 H SER 69 1.355 -3.083 -12.252 547 HA SER 69 HA SER 69 -0.646 -1.111 -12.477 548 HB2 SER 69 2HB SER 69 1.011 -2.406 -14.629 549 HB3 SER 69 1HB SER 69 0.216 -0.829 -14.702 550 HG SER 69 HG SER 69 1.570 -0.055 -13.192 551 H ALA 70 H ALA 70 -1.109 -4.377 -12.537 552 HA ALA 70 HA ALA 70 -3.106 -4.198 -14.620 553 HB1 ALA 70 1HB ALA 70 -2.059 -6.672 -13.236 554 HB2 ALA 70 2HB ALA 70 -1.535 -6.091 -14.816 555 HB3 ALA 70 3HB ALA 70 -3.193 -6.649 -14.586 556 H TYR 71 H TYR 71 -2.795 -3.773 -11.452 557 HA TYR 71 HA TYR 71 -5.296 -4.913 -10.581 558 HB2 TYR 71 2HB TYR 71 -3.230 -3.152 -9.347 559 HB3 TYR 71 1HB TYR 71 -4.824 -3.240 -8.637 560 HD1 TYR 71 1HD TYR 71 -1.744 -5.151 -9.367 561 HD2 TYR 71 2HD TYR 71 -5.505 -5.151 -7.394 562 HE1 TYR 71 1HE TYR 71 -1.068 -7.139 -8.073 563 HE2 TYR 71 2HE TYR 71 -4.845 -7.128 -6.108 564 HH TYR 71 HH TYR 71 -3.303 -8.970 -6.324 565 H SER 72 H SER 72 -7.139 -3.924 -10.382 566 HA SER 72 HA SER 72 -7.460 -1.277 -11.457 567 HB2 SER 72 2HB SER 72 -9.307 -3.013 -11.506 568 HB3 SER 72 1HB SER 72 -9.354 -2.948 -9.746 569 HG SER 72 HG SER 72 -10.632 -1.459 -11.453 570 H ARG 73 H ARG 73 -7.385 0.567 -10.173 571 HA ARG 73 HA ARG 73 -5.718 0.445 -7.977 572 HB2 ARG 73 2HB ARG 73 -6.131 2.753 -7.474 573 HB3 ARG 73 1HB ARG 73 -6.081 2.546 -9.215 574 HG2 ARG 73 2HG ARG 73 -8.400 2.896 -9.422 575 HG3 ARG 73 1HG ARG 73 -8.666 2.676 -7.688 576 HD2 ARG 73 2HD ARG 73 -7.127 4.929 -8.977 577 HD3 ARG 73 1HD ARG 73 -8.746 5.046 -8.280 578 HE ARG 73 HE ARG 73 -7.693 4.433 -6.102 579 HH11 ARG 73 1HH1 ARG 73 -5.694 6.004 -8.594 580 HH12 ARG 73 2HH1 ARG 73 -4.510 6.552 -7.538 581 HH21 ARG 73 1HH2 ARG 73 -6.183 5.109 -4.673 582 HH22 ARG 73 2HH2 ARG 73 -4.802 6.044 -5.119 583 H HIS 74 H HIS 74 -9.168 0.362 -7.991 584 HA HIS 74 HA HIS 74 -9.434 0.813 -5.198 585 HB2 HIS 74 2HB HIS 74 -11.224 1.283 -6.869 586 HB3 HIS 74 1HB HIS 74 -11.449 -0.453 -7.052 587 HD1 HIS 74 1HD HIS 74 -13.195 -1.425 -5.599 588 HD2 HIS 74 2HD HIS 74 -11.654 2.109 -4.042 589 HE1 HIS 74 1HE HIS 74 -14.577 -0.930 -3.556 590 HE2 HIS 74 2HE HIS 74 -13.756 1.342 -2.787 591 H ASN 75 H ASN 75 -8.758 -1.987 -7.103 592 HA ASN 75 HA ASN 75 -9.552 -3.811 -5.018 593 HB2 ASN 75 2HB ASN 75 -8.030 -4.323 -7.591 594 HB3 ASN 75 1HB ASN 75 -8.565 -5.574 -6.480 595 HD21 ASN 75 1HD2 ASN 75 -9.202 -5.293 -9.220 596 HD22 ASN 75 2HD2 ASN 75 -10.916 -5.152 -9.351 597 H ALA 76 H ALA 76 -6.641 -2.408 -6.383 598 HA ALA 76 HA ALA 76 -4.806 -3.681 -4.682 599 HB1 ALA 76 1HB ALA 76 -4.043 -2.451 -6.627 600 HB2 ALA 76 2HB ALA 76 -3.343 -1.703 -5.180 601 HB3 ALA 76 3HB ALA 76 -4.731 -0.968 -5.982 602 H GLU 77 H GLU 77 -6.703 -0.706 -4.344 603 HA GLU 77 HA GLU 77 -5.835 0.095 -1.820 604 HB2 GLU 77 2HB GLU 77 -8.586 0.381 -3.090 605 HB3 GLU 77 1HB GLU 77 -8.082 1.234 -1.634 606 HG2 GLU 77 2HG GLU 77 -6.415 2.455 -2.834 607 HG3 GLU 77 1HG GLU 77 -6.656 1.443 -4.261 608 H ARG 78 H ARG 78 -8.115 -2.383 -2.761 609 HA ARG 78 HA ARG 78 -9.121 -2.830 -0.115 610 HB2 ARG 78 2HB ARG 78 -9.391 -4.313 -2.702 611 HB3 ARG 78 1HB ARG 78 -9.911 -5.057 -1.199 612 HG2 ARG 78 2HG ARG 78 -10.924 -2.429 -2.271 613 HG3 ARG 78 1HG ARG 78 -11.750 -3.982 -2.429 614 HD2 ARG 78 2HD ARG 78 -11.119 -2.515 0.148 615 HD3 ARG 78 1HD ARG 78 -12.704 -2.777 -0.569 616 HE ARG 78 HE ARG 78 -11.490 -5.249 -0.200 617 HH11 ARG 78 1HH1 ARG 78 -12.940 -2.685 1.766 618 HH12 ARG 78 2HH1 ARG 78 -13.297 -3.680 3.099 619 HH21 ARG 78 1HH2 ARG 78 -11.965 -6.644 1.642 620 HH22 ARG 78 2HH2 ARG 78 -12.718 -6.016 3.024 621 H LEU 79 H LEU 79 -6.424 -3.864 -1.880 622 HA LEU 79 HA LEU 79 -5.870 -6.196 -0.341 623 HB2 LEU 79 2HB LEU 79 -5.108 -5.666 -2.648 624 HB3 LEU 79 1HB LEU 79 -4.010 -4.509 -1.932 625 HG LEU 79 HG LEU 79 -3.982 -7.398 -1.213 626 HD11 LEU 79 1HD1 LEU 79 -3.692 -7.224 -3.488 627 HD12 LEU 79 2HD1 LEU 79 -1.991 -7.242 -2.747 628 HD13 LEU 79 3HD1 LEU 79 -2.815 -5.703 -3.207 629 HD21 LEU 79 3HD2 LEU 79 -1.799 -5.332 -1.146 630 HD22 LEU 79 1HD2 LEU 79 -1.688 -7.023 -0.651 631 HD23 LEU 79 2HD2 LEU 79 -2.719 -5.900 0.254 632 H PHE 80 H PHE 80 -4.670 -2.867 -0.450 633 HA PHE 80 HA PHE 80 -2.978 -3.191 1.780 634 HB2 PHE 80 2HB PHE 80 -4.216 -0.706 0.579 635 HB3 PHE 80 1HB PHE 80 -3.129 -0.648 1.961 636 HD1 PHE 80 1HD PHE 80 -0.780 -1.179 1.713 637 HD2 PHE 80 2HD PHE 80 -3.382 -1.224 -1.630 638 HE1 PHE 80 1HE PHE 80 1.168 -1.169 0.209 639 HE2 PHE 80 2HE PHE 80 -1.448 -1.215 -3.149 640 HZ PHE 80 HZ PHE 80 0.833 -1.188 -2.231 641 H LYS 81 H LYS 81 -6.238 -2.995 1.426 642 HA LYS 81 HA LYS 81 -6.728 -2.179 4.182 643 HB2 LYS 81 2HB LYS 81 -8.761 -3.364 2.300 644 HB3 LYS 81 1HB LYS 81 -9.103 -2.685 3.884 645 HG2 LYS 81 2HG LYS 81 -8.127 -1.256 1.445 646 HG3 LYS 81 1HG LYS 81 -9.698 -1.118 2.249 647 HD2 LYS 81 2HD LYS 81 -7.056 -0.285 3.457 648 HD3 LYS 81 1HD LYS 81 -8.147 0.801 2.624 649 HE2 LYS 81 2HE LYS 81 -9.889 0.258 4.313 650 HE3 LYS 81 1HE LYS 81 -8.683 -0.699 5.179 651 HZ1 LYS 81 3HZ LYS 81 -8.657 1.529 6.155 652 HZ2 LYS 81 1HZ LYS 81 -8.446 2.239 4.633 653 HZ3 LYS 81 2HZ LYS 81 -7.307 1.256 5.367 654 H LYS 82 H LYS 82 -6.300 -5.113 2.342 655 HA LYS 82 HA LYS 82 -7.341 -6.821 4.370 656 HB2 LYS 82 2HB LYS 82 -7.210 -7.467 1.959 657 HB3 LYS 82 1HB LYS 82 -5.457 -7.430 2.084 658 HG2 LYS 82 2HG LYS 82 -5.601 -9.178 3.836 659 HG3 LYS 82 1HG LYS 82 -7.334 -9.281 3.522 660 HD2 LYS 82 2HD LYS 82 -6.872 -9.850 1.197 661 HD3 LYS 82 1HD LYS 82 -5.142 -9.747 1.518 662 HE2 LYS 82 2HE LYS 82 -7.080 -11.698 2.772 663 HE3 LYS 82 1HE LYS 82 -5.878 -12.036 1.524 664 HZ1 LYS 82 3HZ LYS 82 -4.156 -11.338 3.199 665 HZ2 LYS 82 1HZ LYS 82 -5.008 -12.763 3.520 666 HZ3 LYS 82 2HZ LYS 82 -5.311 -11.321 4.372 667 H LEU 83 H LEU 83 -4.233 -5.672 3.243 668 HA LEU 83 HA LEU 83 -2.564 -7.021 4.969 669 HB2 LEU 83 2HB LEU 83 -2.283 -4.311 3.839 670 HB3 LEU 83 1HB LEU 83 -1.002 -5.217 4.640 671 HG LEU 83 HG LEU 83 -2.500 -6.103 2.245 672 HD11 LEU 83 1HD1 LEU 83 -0.467 -5.606 1.044 673 HD12 LEU 83 2HD1 LEU 83 0.245 -5.017 2.584 674 HD13 LEU 83 3HD1 LEU 83 -1.154 -4.181 1.851 675 HD21 LEU 83 3HD2 LEU 83 -1.680 -8.006 3.470 676 HD22 LEU 83 1HD2 LEU 83 -0.083 -7.253 3.613 677 HD23 LEU 83 2HD2 LEU 83 -0.684 -7.761 2.038 678 H ILE 84 H ILE 84 -4.374 -3.997 5.571 679 HA ILE 84 HA ILE 84 -3.082 -3.686 8.080 680 HB ILE 84 HB ILE 84 -4.669 -1.884 8.586 681 HG12 ILE 84 2HG1 ILE 84 -6.150 -1.097 6.559 682 HG13 ILE 84 1HG1 ILE 84 -6.073 -2.788 6.087 683 HG21 ILE 84 1HG2 ILE 84 -4.048 -0.340 6.778 684 HG22 ILE 84 2HG2 ILE 84 -3.459 -1.720 5.852 685 HG23 ILE 84 3HG2 ILE 84 -2.709 -1.305 7.395 686 HD11 ILE 84 3HD1 ILE 84 -8.120 -2.291 7.301 687 HD12 ILE 84 1HD1 ILE 84 -7.177 -1.729 8.683 688 HD13 ILE 84 2HD1 ILE 84 -7.114 -3.426 8.203 689 H LEU 85 H LEU 85 -5.892 -5.409 7.006 690 HA LEU 85 HA LEU 85 -6.923 -5.957 9.586 691 HB2 LEU 85 2HB LEU 85 -8.006 -6.022 7.228 692 HB3 LEU 85 1HB LEU 85 -7.252 -7.589 7.078 693 HG LEU 85 HG LEU 85 -9.157 -6.839 9.232 694 HD11 LEU 85 1HD1 LEU 85 -10.866 -8.119 7.911 695 HD12 LEU 85 2HD1 LEU 85 -9.682 -8.278 6.612 696 HD13 LEU 85 3HD1 LEU 85 -10.284 -6.683 7.067 697 HD21 LEU 85 3HD2 LEU 85 -7.804 -8.780 9.805 698 HD22 LEU 85 1HD2 LEU 85 -8.231 -9.558 8.282 699 HD23 LEU 85 2HD2 LEU 85 -9.467 -9.288 9.511 700 H ASP 86 H ASP 86 -4.833 -7.638 7.254 701 HA ASP 86 HA ASP 86 -4.379 -10.010 8.732 702 HB2 ASP 86 2HB ASP 86 -2.583 -8.719 6.662 703 HB3 ASP 86 1HB ASP 86 -2.375 -10.340 7.286 704 H LYS 87 H LYS 87 -2.831 -6.841 8.684 705 HA LYS 87 HA LYS 87 -1.765 -5.780 10.292 706 HB2 LYS 87 2HB LYS 87 -1.922 -8.308 11.672 707 HB3 LYS 87 1HB LYS 87 -0.481 -7.367 12.035 708 HG2 LYS 87 2HG LYS 87 -2.103 -6.696 13.584 709 HG3 LYS 87 1HG LYS 87 -1.954 -5.401 12.428 710 HD2 LYS 87 2HD LYS 87 -3.951 -6.399 11.224 711 HD3 LYS 87 1HD LYS 87 -4.186 -7.407 12.655 712 HE2 LYS 87 2HE LYS 87 -5.580 -5.433 12.813 713 HE3 LYS 87 1HE LYS 87 -4.307 -5.352 14.033 714 HZ1 LYS 87 3HZ LYS 87 -4.262 -3.956 11.408 715 HZ2 LYS 87 1HZ LYS 87 -3.045 -3.891 12.553 716 HZ3 LYS 87 2HZ LYS 87 -4.458 -3.190 12.921 717 H ILE 88 H ILE 88 -0.794 -7.304 7.928 718 HA ILE 88 HA ILE 88 2.034 -7.256 8.232 719 HB ILE 88 HB ILE 88 0.101 -6.962 5.979 720 HG12 ILE 88 2HG1 ILE 88 1.415 -8.967 5.038 721 HG13 ILE 88 1HG1 ILE 88 2.233 -8.971 6.595 722 HG21 ILE 88 1HG2 ILE 88 2.009 -6.795 4.324 723 HG22 ILE 88 2HG2 ILE 88 3.115 -6.619 5.687 724 HG23 ILE 88 3HG2 ILE 88 1.892 -5.389 5.382 725 HD11 ILE 88 3HD1 ILE 88 -0.695 -9.359 6.147 726 HD12 ILE 88 1HD1 ILE 88 0.124 -9.370 7.710 727 HD13 ILE 88 2HD1 ILE 88 0.488 -10.612 6.512 728 H LEU 89 H LEU 89 -0.519 -5.039 7.371 729 HA LEU 89 HA LEU 89 1.237 -2.759 7.946 730 HB2 LEU 89 2HB LEU 89 -1.366 -2.907 6.492 731 HB3 LEU 89 1HB LEU 89 -0.429 -1.461 6.782 732 HG LEU 89 HG LEU 89 0.356 -3.768 5.038 733 HD11 LEU 89 1HD1 LEU 89 -0.054 -2.166 3.266 734 HD12 LEU 89 2HD1 LEU 89 -0.573 -0.975 4.498 735 HD13 LEU 89 3HD1 LEU 89 -1.484 -2.461 4.273 736 HD21 LEU 89 3HD2 LEU 89 2.262 -2.727 6.095 737 HD22 LEU 89 1HD2 LEU 89 1.680 -1.132 5.618 738 HD23 LEU 89 2HD2 LEU 89 2.205 -2.291 4.378 739 H ASP 90 H ASP 90 0.175 -1.065 9.040 740 HA ASP 90 HA ASP 90 -2.362 -1.615 10.288 741 HB2 ASP 90 2HB ASP 90 0.104 -1.736 11.765 742 HB3 ASP 90 1HB ASP 90 -0.807 -0.320 12.291 743 H GLU 91 H GLU 91 -3.540 0.030 9.802 744 HA GLU 91 HA GLU 91 -2.200 2.491 9.088 745 HB2 GLU 91 2HB GLU 91 -4.357 3.184 8.118 746 HB3 GLU 91 1HB GLU 91 -3.706 1.715 7.414 747 HG2 GLU 91 2HG GLU 91 -5.267 0.395 8.767 748 HG3 GLU 91 1HG GLU 91 -5.918 1.886 9.449 749 H ASP 92 H ASP 92 -2.638 4.396 9.850 750 HA ASP 92 HA ASP 92 -3.832 4.551 12.519 751 HB2 ASP 92 2HB ASP 92 -1.564 5.341 12.469 752 HB3 ASP 92 1HB ASP 92 -1.877 6.319 11.039 753 H LEU 93 H LEU 93 -5.558 5.788 12.864 754 HA LEU 93 HA LEU 93 -6.714 7.110 10.523 755 HB2 LEU 93 2HB LEU 93 -8.133 6.013 12.954 756 HB3 LEU 93 1HB LEU 93 -8.883 6.913 11.644 757 HG LEU 93 HG LEU 93 -7.554 4.213 11.344 758 HD11 LEU 93 1HD1 LEU 93 -9.824 3.362 11.035 759 HD12 LEU 93 2HD1 LEU 93 -10.473 4.961 11.397 760 HD13 LEU 93 3HD1 LEU 93 -9.603 4.059 12.639 761 HD21 LEU 93 3HD2 LEU 93 -7.430 5.544 9.292 762 HD22 LEU 93 1HD2 LEU 93 -9.159 5.871 9.389 763 HD23 LEU 93 2HD2 LEU 93 -8.587 4.230 9.108 764 H TYR 94 H TYR 94 -6.355 9.114 10.549 765 HA TYR 94 HA TYR 94 -6.236 10.563 13.071 766 HB2 TYR 94 2HB TYR 94 -4.002 10.273 12.293 767 HB3 TYR 94 1HB TYR 94 -4.473 10.626 10.639 768 HD1 TYR 94 2HD TYR 94 -3.752 12.094 13.939 769 HD2 TYR 94 1HD TYR 94 -4.660 12.880 9.861 770 HE1 TYR 94 2HE TYR 94 -3.094 14.447 14.253 771 HE2 TYR 94 1HE TYR 94 -3.999 15.235 10.158 772 HH TYR 94 HH TYR 94 -3.824 16.861 12.037 773 H ILE 95 H ILE 95 -7.471 12.360 13.066 774 HA ILE 95 HA ILE 95 -8.202 13.430 10.495 775 HB ILE 95 HB ILE 95 -10.079 12.108 11.575 776 HG12 ILE 95 2HG1 ILE 95 -10.595 15.050 11.386 777 HG13 ILE 95 1HG1 ILE 95 -10.499 13.952 10.012 778 HG21 ILE 95 1HG2 ILE 95 -9.844 14.294 13.553 779 HG22 ILE 95 2HG2 ILE 95 -9.676 12.527 13.871 780 HG23 ILE 95 3HG2 ILE 95 -11.256 13.261 13.386 781 HD11 ILE 95 3HD1 ILE 95 -12.335 12.653 11.008 782 HD12 ILE 95 1HD1 ILE 95 -12.759 14.318 10.537 783 HD13 ILE 95 2HD1 ILE 95 -12.458 13.923 12.243 784 H ASN 96 H ASN 96 -8.108 15.610 10.467 785 HA ASN 96 HA ASN 96 -6.980 16.824 12.866 786 HB2 ASN 96 2HB ASN 96 -6.358 18.802 11.381 787 HB3 ASN 96 1HB ASN 96 -5.537 17.297 11.013 788 HD21 ASN 96 1HD2 ASN 96 -7.664 19.787 9.800 789 HD22 ASN 96 2HD2 ASN 96 -7.787 19.113 8.237 790 H ALA 97 H ALA 97 -7.645 19.319 13.048 791 HA ALA 97 HA ALA 97 -10.275 19.166 14.078 792 HB1 ALA 97 1HB ALA 97 -8.548 21.606 13.716 793 HB2 ALA 97 2HB ALA 97 -8.468 20.489 15.078 794 HB3 ALA 97 3HB ALA 97 -9.925 21.448 14.805 795 H ASN 98 H ASN 98 -9.942 19.090 11.085 796 HA ASN 98 HA ASN 98 -11.925 21.152 10.338 797 HB2 ASN 98 2HB ASN 98 -9.800 19.792 8.723 798 HB3 ASN 98 1HB ASN 98 -11.022 20.859 8.033 799 HD21 ASN 98 1HD2 ASN 98 -10.758 23.060 8.359 800 HD22 ASN 98 2HD2 ASN 98 -9.270 23.684 8.994 801 H ASP 99 H ASP 99 -11.631 18.099 11.232 802 HA ASP 99 HA ASP 99 -12.667 16.165 11.007 803 HB2 ASP 99 2HB ASP 99 -14.740 17.661 10.970 804 HB3 ASP 99 1HB ASP 99 -14.691 17.597 9.214 805 H GLN 100 H GLN 100 -10.667 17.043 9.189 806 HA GLN 100 HA GLN 100 -11.196 15.581 6.712 807 HB2 GLN 100 2HB GLN 100 -8.672 16.967 7.621 808 HB3 GLN 100 1HB GLN 100 -8.939 16.208 6.057 809 HG2 GLN 100 2HG GLN 100 -10.603 17.841 5.489 810 HG3 GLN 100 1HG GLN 100 -10.513 18.550 7.099 811 HE21 GLN 100 1HE2 GLN 100 -7.674 17.457 5.384 812 HE22 GLN 100 2HE2 GLN 100 -7.044 19.043 5.077 813 H ALA 101 H ALA 101 -11.271 13.531 7.184 814 HA ALA 101 HA ALA 101 -9.392 12.283 9.001 815 HB1 ALA 101 1HB ALA 101 -10.696 10.254 8.654 816 HB2 ALA 101 2HB ALA 101 -11.607 11.045 7.369 817 HB3 ALA 101 3HB ALA 101 -11.755 11.613 9.032 818 H ILE 102 H ILE 102 -7.668 11.124 8.456 819 HA ILE 102 HA ILE 102 -7.413 10.200 5.743 820 HB ILE 102 HB ILE 102 -6.324 12.467 5.882 821 HG12 ILE 102 2HG1 ILE 102 -4.345 10.220 5.429 822 HG13 ILE 102 1HG1 ILE 102 -5.534 10.765 4.251 823 HG21 ILE 102 1HG2 ILE 102 -4.231 12.713 7.112 824 HG22 ILE 102 2HG2 ILE 102 -4.462 11.091 7.767 825 HG23 ILE 102 3HG2 ILE 102 -5.608 12.379 8.179 826 HD11 ILE 102 3HD1 ILE 102 -3.237 12.378 5.354 827 HD12 ILE 102 1HD1 ILE 102 -4.466 12.987 4.248 828 HD13 ILE 102 2HD1 ILE 102 -3.376 11.715 3.724 829 H ALA 103 H ALA 103 -6.136 8.345 5.602 830 HA ALA 103 HA ALA 103 -5.461 7.125 8.184 831 HB1 ALA 103 1HB ALA 103 -5.869 4.966 7.115 832 HB2 ALA 103 2HB ALA 103 -6.243 5.780 5.596 833 HB3 ALA 103 3HB ALA 103 -7.292 6.001 6.997 834 H TYR 104 H TYR 104 -3.380 6.861 8.524 835 HA TYR 104 HA TYR 104 -1.542 6.975 6.231 836 HB2 TYR 104 2HB TYR 104 -0.802 7.073 9.169 837 HB3 TYR 104 1HB TYR 104 0.224 7.332 7.759 838 HD1 TYR 104 2HD TYR 104 0.070 9.373 6.455 839 HD2 TYR 104 1HD TYR 104 -2.190 8.840 10.008 840 HE1 TYR 104 2HE TYR 104 -0.323 11.791 6.566 841 HE2 TYR 104 1HE TYR 104 -2.578 11.262 10.127 842 HH TYR 104 HH TYR 104 -1.626 13.252 9.351 843 H VAL 105 H VAL 105 0.099 5.422 6.037 844 HA VAL 105 HA VAL 105 -0.733 2.884 7.168 845 HB VAL 105 HB VAL 105 0.561 3.489 4.508 846 HG11 VAL 105 1HG1 VAL 105 0.226 0.769 5.821 847 HG12 VAL 105 2HG1 VAL 105 1.778 1.550 5.522 848 HG13 VAL 105 3HG1 VAL 105 0.764 1.056 4.165 849 HG21 VAL 105 3HG2 VAL 105 -1.793 3.616 4.692 850 HG22 VAL 105 1HG2 VAL 105 -1.791 2.042 5.512 851 HG23 VAL 105 2HG2 VAL 105 -1.340 2.152 3.780 852 H MET 106 H MET 106 0.402 1.808 8.337 853 HA MET 106 HA MET 106 3.285 2.354 8.623 854 HB2 MET 106 2HB MET 106 1.388 1.746 10.917 855 HB3 MET 106 1HB MET 106 3.121 1.984 11.051 856 HG2 MET 106 2HG MET 106 2.818 4.322 10.312 857 HG3 MET 106 1HG MET 106 1.075 4.055 10.283 858 HE1 MET 106 3HE MET 106 0.581 6.055 11.899 859 HE2 MET 106 1HE MET 106 2.298 6.450 11.907 860 HE3 MET 106 2HE MET 106 1.415 6.322 13.429 861 H LEU 107 H LEU 107 4.091 0.401 10.133 862 HA LEU 107 HA LEU 107 3.231 -1.949 8.654 863 HB2 LEU 107 2HB LEU 107 5.397 -2.983 9.216 864 HB3 LEU 107 1HB LEU 107 5.593 -1.506 8.316 865 HG LEU 107 HG LEU 107 5.966 -1.593 11.320 866 HD11 LEU 107 1HD1 LEU 107 8.367 -1.863 10.883 867 HD12 LEU 107 2HD1 LEU 107 8.030 -2.054 9.163 868 HD13 LEU 107 3HD1 LEU 107 7.451 -3.258 10.313 869 HD21 LEU 107 3HD2 LEU 107 7.475 0.324 10.841 870 HD22 LEU 107 1HD2 LEU 107 5.815 0.680 10.376 871 HD23 LEU 107 2HD2 LEU 107 7.000 0.250 9.153 872 H GLY 108 H GLY 108 2.601 -3.785 9.689 873 HA2 GLY 108 2HA GLY 108 1.768 -3.279 12.447 874 HA3 GLY 108 1HA GLY 108 1.036 -4.430 11.342 875 H ASN 109 H ASN 109 1.204 -5.797 13.213 876 HA ASN 109 HA ASN 109 3.793 -6.542 14.178 877 HB2 ASN 109 2HB ASN 109 2.681 -8.152 15.672 878 HB3 ASN 109 1HB ASN 109 2.007 -6.542 15.793 879 HD21 ASN 109 1HD2 ASN 109 0.138 -7.216 16.667 880 HD22 ASN 109 2HD2 ASN 109 -1.094 -8.097 15.846 881 H LYS 110 H LYS 110 2.328 -7.479 11.397 882 HA LYS 110 HA LYS 110 3.567 -10.140 11.521 883 HB2 LYS 110 2HB LYS 110 1.878 -8.961 9.312 884 HB3 LYS 110 1HB LYS 110 2.470 -10.598 9.391 885 HG2 LYS 110 2HG LYS 110 0.420 -9.326 11.158 886 HG3 LYS 110 1HG LYS 110 0.143 -10.536 9.915 887 HD2 LYS 110 2HD LYS 110 1.559 -12.102 11.231 888 HD3 LYS 110 1HD LYS 110 1.609 -10.884 12.514 889 HE2 LYS 110 2HE LYS 110 -0.794 -12.278 11.387 890 HE3 LYS 110 1HE LYS 110 -0.176 -12.385 13.043 891 HZ1 LYS 110 3HZ LYS 110 -2.027 -10.899 13.073 892 HZ2 LYS 110 1HZ LYS 110 -1.456 -10.094 11.693 893 HZ3 LYS 110 2HZ LYS 110 -0.628 -9.914 13.148 894 H ALA 111 H ALA 111 4.406 -7.038 10.746 895 HA ALA 111 HA ALA 111 5.396 -7.108 8.162 896 HB1 ALA 111 1HB ALA 111 5.090 -5.076 9.482 897 HB2 ALA 111 2HB ALA 111 6.681 -5.154 8.722 898 HB3 ALA 111 3HB ALA 111 6.507 -5.498 10.443 899 H GLN 112 H GLN 112 7.103 -7.980 11.135 900 HA GLN 112 HA GLN 112 9.550 -8.367 9.717 901 HB2 GLN 112 2HB GLN 112 10.527 -9.037 11.807 902 HB3 GLN 112 1HB GLN 112 9.401 -7.740 12.148 903 HG2 GLN 112 2HG GLN 112 8.851 -9.106 13.880 904 HG3 GLN 112 1HG GLN 112 7.800 -9.823 12.658 905 HE21 GLN 112 1HE2 GLN 112 8.280 -11.889 11.873 906 HE22 GLN 112 2HE2 GLN 112 9.565 -12.851 12.511 907 H THR 113 H THR 113 6.822 -10.304 10.510 908 HA THR 113 HA THR 113 7.993 -12.831 10.051 909 HB THR 113 HB THR 113 5.067 -12.109 9.857 910 HG1 THR 113 1HG THR 113 5.748 -12.812 12.345 911 HG21 THR 113 3HG2 THR 113 6.538 -14.518 10.960 912 HG22 THR 113 1HG2 THR 113 5.757 -14.446 9.381 913 HG23 THR 113 2HG2 THR 113 4.786 -14.334 10.851 914 H VAL 114 H VAL 114 6.525 -10.335 8.104 915 HA VAL 114 HA VAL 114 6.149 -11.831 5.714 916 HB VAL 114 HB VAL 114 6.869 -8.891 5.848 917 HG11 VAL 114 1HG1 VAL 114 5.549 -8.742 3.758 918 HG12 VAL 114 2HG1 VAL 114 5.328 -10.495 3.829 919 HG13 VAL 114 3HG1 VAL 114 6.943 -9.821 3.621 920 HG21 VAL 114 3HG2 VAL 114 4.465 -8.388 5.886 921 HG22 VAL 114 1HG2 VAL 114 4.984 -9.249 7.335 922 HG23 VAL 114 2HG2 VAL 114 4.124 -10.110 6.063 923 H LEU 115 H LEU 115 8.749 -9.857 7.009 924 HA LEU 115 HA LEU 115 10.574 -10.149 4.882 925 HB2 LEU 115 2HB LEU 115 11.156 -9.777 7.817 926 HB3 LEU 115 1HB LEU 115 12.295 -9.509 6.511 927 HG LEU 115 HG LEU 115 9.745 -7.988 6.916 928 HD11 LEU 115 1HD1 LEU 115 12.614 -7.197 7.484 929 HD12 LEU 115 2HD1 LEU 115 11.366 -7.502 8.692 930 HD13 LEU 115 3HD1 LEU 115 11.223 -6.121 7.604 931 HD21 LEU 115 3HD2 LEU 115 10.716 -6.432 5.242 932 HD22 LEU 115 1HD2 LEU 115 10.394 -8.037 4.585 933 HD23 LEU 115 2HD2 LEU 115 12.041 -7.568 5.001 934 H ASN 116 H ASN 116 10.045 -12.046 7.790 935 HA ASN 116 HA ASN 116 12.045 -14.001 7.203 936 HB2 ASN 116 2HB ASN 116 9.622 -14.114 9.041 937 HB3 ASN 116 1HB ASN 116 10.785 -15.428 8.901 938 HD21 ASN 116 1HD2 ASN 116 13.040 -13.450 8.700 939 HD22 ASN 116 2HD2 ASN 116 13.194 -12.869 10.321 940 H GLY 117 H GLY 117 8.952 -13.371 6.017 941 HA2 GLY 117 2HA GLY 117 7.499 -14.375 4.633 942 HA3 GLY 117 1HA GLY 117 8.872 -15.304 3.979 943 H ASN 118 H ASN 118 7.773 -15.339 7.246 944 HA ASN 118 HA ASN 118 6.861 -18.142 7.045 945 HB2 ASN 118 2HB ASN 118 7.508 -16.341 9.412 946 HB3 ASN 118 1HB ASN 118 6.690 -17.878 9.616 947 HD21 ASN 118 1HD2 ASN 118 9.285 -17.448 7.246 948 HD22 ASN 118 2HD2 ASN 118 10.420 -18.408 8.113 949 H LEU 119 H LEU 119 5.700 -15.787 5.999 950 HA LEU 119 HA LEU 119 3.039 -15.812 7.046 951 HB2 LEU 119 2HB LEU 119 4.018 -13.928 8.170 952 HB3 LEU 119 1HB LEU 119 4.943 -13.480 6.763 953 HG LEU 119 HG LEU 119 3.073 -11.932 7.423 954 HD11 LEU 119 1HD1 LEU 119 4.188 -12.104 5.179 955 HD12 LEU 119 2HD1 LEU 119 2.571 -11.363 5.155 956 HD13 LEU 119 3HD1 LEU 119 2.811 -13.048 4.649 957 HD21 LEU 119 3HD2 LEU 119 0.796 -12.587 6.681 958 HD22 LEU 119 1HD2 LEU 119 1.400 -13.617 7.990 959 HD23 LEU 119 2HD2 LEU 119 1.425 -14.192 6.323 960 H LYS 120 H LYS 120 1.903 -16.310 5.275 961 HA LYS 120 HA LYS 120 2.643 -14.944 2.853 962 HB2 LYS 120 2HB LYS 120 1.899 -16.893 1.533 963 HB3 LYS 120 1HB LYS 120 3.380 -17.175 2.429 964 HG2 LYS 120 2HG LYS 120 2.117 -18.378 4.143 965 HG3 LYS 120 1HG LYS 120 0.636 -18.149 3.215 966 HD2 LYS 120 2HD LYS 120 3.080 -19.666 2.254 967 HD3 LYS 120 1HD LYS 120 1.648 -20.416 2.944 968 HE2 LYS 120 2HE LYS 120 1.387 -20.644 0.617 969 HE3 LYS 120 1HE LYS 120 0.349 -19.295 1.048 970 HZ1 LYS 120 3HZ LYS 120 2.980 -19.149 -0.380 971 HZ2 LYS 120 1HZ LYS 120 2.180 -17.776 0.198 972 HZ3 LYS 120 2HZ LYS 120 1.427 -18.656 -0.857 973 H VAL 121 H VAL 121 0.951 -13.773 1.976 974 HA VAL 121 HA VAL 121 -1.659 -14.562 2.944 975 HB VAL 121 HB VAL 121 -2.443 -12.381 3.064 976 HG11 VAL 121 1HG1 VAL 121 -1.244 -12.935 5.017 977 HG12 VAL 121 2HG1 VAL 121 -1.053 -11.214 4.679 978 HG13 VAL 121 3HG1 VAL 121 0.261 -12.337 4.322 979 HG21 VAL 121 3HG2 VAL 121 -1.188 -10.365 2.399 980 HG22 VAL 121 1HG2 VAL 121 -1.561 -11.531 1.118 981 HG23 VAL 121 2HG2 VAL 121 0.088 -11.455 1.761 982 H ASP 122 H ASP 122 -3.311 -13.413 1.487 983 HA ASP 122 HA ASP 122 -2.683 -14.342 -1.210 984 HB2 ASP 122 2HB ASP 122 -4.908 -15.218 -1.156 985 HB3 ASP 122 1HB ASP 122 -3.948 -15.785 0.231 986 H PHE 123 H PHE 123 -3.869 -13.325 -2.856 987 HA PHE 123 HA PHE 123 -5.917 -11.451 -2.149 988 HB2 PHE 123 2HB PHE 123 -3.846 -10.066 -2.793 989 HB3 PHE 123 1HB PHE 123 -3.970 -10.789 -4.402 990 HD1 PHE 123 2HD PHE 123 -5.665 -8.628 -1.931 991 HD2 PHE 123 1HD PHE 123 -5.645 -10.055 -5.951 992 HE1 PHE 123 2HE PHE 123 -7.333 -6.949 -2.530 993 HE2 PHE 123 1HE PHE 123 -7.323 -8.356 -6.542 994 HZ PHE 123 HZ PHE 123 -8.168 -6.806 -4.829 995 H MET 124 H MET 124 -7.635 -11.664 -3.528 996 HA MET 124 HA MET 124 -7.457 -14.297 -4.862 997 HB2 MET 124 2HB MET 124 -9.735 -13.075 -3.350 998 HB3 MET 124 1HB MET 124 -9.843 -14.572 -4.254 999 HG2 MET 124 2HG MET 124 -7.969 -14.087 -1.952 1000 HG3 MET 124 1HG MET 124 -9.534 -14.890 -1.829 1001 HE1 MET 124 3HE MET 124 -7.068 -17.861 -1.351 1002 HE2 MET 124 1HE MET 124 -8.470 -17.006 -0.707 1003 HE3 MET 124 2HE MET 124 -6.895 -16.212 -0.746 1004 H GLU 125 H GLU 125 -8.242 -14.722 -6.773 1005 HA GLU 125 HA GLU 125 -9.525 -14.897 -8.504 1006 HB2 GLU 125 2HB GLU 125 -11.269 -12.809 -7.239 1007 HB3 GLU 125 1HB GLU 125 -11.698 -13.721 -8.676 1008 HG2 GLU 125 2HG GLU 125 -11.170 -14.865 -5.931 1009 HG3 GLU 125 1HG GLU 125 -12.744 -14.678 -6.697 1010 H THR 126 H THR 126 -9.228 -11.412 -7.984 1011 HA THR 126 HA THR 126 -8.178 -11.241 -10.673 1012 HB THR 126 HB THR 126 -10.613 -11.093 -11.061 1013 HG1 THR 126 1HG THR 126 -9.431 -8.495 -11.452 1014 HG21 THR 126 3HG2 THR 126 -11.915 -9.173 -10.213 1015 HG22 THR 126 1HG2 THR 126 -10.524 -8.667 -9.252 1016 HG23 THR 126 2HG2 THR 126 -11.330 -10.195 -8.899 1017 H GLU 127 H GLU 127 -7.460 -9.078 -11.154 1018 HA GLU 127 HA GLU 127 -6.599 -7.645 -8.791 1019 HB2 GLU 127 2HB GLU 127 -5.475 -7.735 -11.621 1020 HB3 GLU 127 1HB GLU 127 -4.836 -6.746 -10.313 1021 HG2 GLU 127 2HG GLU 127 -4.322 -8.748 -9.031 1022 HG3 GLU 127 1HG GLU 127 -4.938 -9.744 -10.343 Start of MODEL 8 1 H1 CYS 1 1HT CYS 1 -18.896 -27.000 -11.893 2 H2 CYS 1 2HT CYS 1 -17.312 -27.283 -12.518 3 H3 CYS 1 3HT CYS 1 -17.539 -26.686 -10.939 4 HA CYS 1 HA CYS 1 -18.425 -29.325 -11.830 5 HB2 CYS 1 2HB CYS 1 -16.132 -28.481 -10.031 6 HB3 CYS 1 1HB CYS 1 -16.519 -30.125 -10.540 7 HG CYS 1 HG CYS 1 -14.300 -29.517 -12.014 8 H LYS 2 H LYS 2 -18.365 -30.511 -9.364 9 HA LYS 2 HA LYS 2 -20.525 -29.410 -7.941 10 HB2 LYS 2 2HB LYS 2 -19.864 -31.807 -7.828 11 HB3 LYS 2 1HB LYS 2 -18.385 -31.352 -6.998 12 HG2 LYS 2 2HG LYS 2 -19.709 -30.513 -5.110 13 HG3 LYS 2 1HG LYS 2 -21.189 -30.992 -5.943 14 HD2 LYS 2 2HD LYS 2 -20.436 -33.331 -5.921 15 HD3 LYS 2 1HD LYS 2 -18.960 -32.844 -5.086 16 HE2 LYS 2 2HE LYS 2 -20.302 -32.033 -3.199 17 HE3 LYS 2 1HE LYS 2 -21.773 -32.524 -4.036 18 HZ1 LYS 2 3HZ LYS 2 -21.092 -34.158 -2.398 19 HZ2 LYS 2 1HZ LYS 2 -19.594 -34.344 -3.160 20 HZ3 LYS 2 2HZ LYS 2 -21.012 -34.817 -3.952 21 H THR 3 H THR 3 -17.019 -29.314 -7.470 22 HA THR 3 HA THR 3 -17.179 -27.443 -5.337 23 HB THR 3 HB THR 3 -14.617 -27.642 -5.805 24 HG1 THR 3 1HG THR 3 -14.068 -29.421 -7.015 25 HG21 THR 3 3HG2 THR 3 -14.530 -29.751 -4.524 26 HG22 THR 3 1HG2 THR 3 -16.231 -30.040 -4.884 27 HG23 THR 3 2HG2 THR 3 -15.765 -28.675 -3.870 28 H LYS 4 H LYS 4 -16.215 -25.322 -5.561 29 HA LYS 4 HA LYS 4 -15.838 -24.348 -8.269 30 HB2 LYS 4 2HB LYS 4 -17.504 -23.053 -6.078 31 HB3 LYS 4 1HB LYS 4 -16.821 -22.127 -7.392 32 HG2 LYS 4 2HG LYS 4 -19.105 -22.513 -7.921 33 HG3 LYS 4 1HG LYS 4 -18.158 -23.537 -8.984 34 HD2 LYS 4 2HD LYS 4 -20.102 -24.748 -8.191 35 HD3 LYS 4 1HD LYS 4 -18.651 -25.462 -7.494 36 HE2 LYS 4 2HE LYS 4 -19.068 -24.317 -5.391 37 HE3 LYS 4 1HE LYS 4 -20.463 -23.493 -6.087 38 HZ1 LYS 4 3HZ LYS 4 -20.198 -26.435 -5.775 39 HZ2 LYS 4 1HZ LYS 4 -21.552 -25.618 -6.350 40 HZ3 LYS 4 2HZ LYS 4 -21.081 -25.441 -4.733 41 H ASP 5 H ASP 5 -14.175 -22.804 -8.381 42 HA ASP 5 HA ASP 5 -12.715 -22.369 -5.900 43 HB2 ASP 5 2HB ASP 5 -11.555 -24.154 -7.134 44 HB3 ASP 5 1HB ASP 5 -11.555 -23.170 -8.594 45 H TYR 6 H TYR 6 -11.273 -20.526 -6.087 46 HA TYR 6 HA TYR 6 -11.667 -18.559 -8.146 47 HB2 TYR 6 2HB TYR 6 -13.617 -18.575 -6.248 48 HB3 TYR 6 1HB TYR 6 -12.395 -17.637 -5.403 49 HD1 TYR 6 1HD TYR 6 -11.593 -15.442 -6.484 50 HD2 TYR 6 2HD TYR 6 -14.957 -17.625 -7.894 51 HE1 TYR 6 1HE TYR 6 -12.415 -13.420 -7.654 52 HE2 TYR 6 2HE TYR 6 -15.780 -15.633 -9.065 53 HH TYR 6 HH TYR 6 -13.959 -12.891 -9.647 54 H LYS 7 H LYS 7 -9.526 -20.089 -7.210 55 HA LYS 7 HA LYS 7 -8.147 -19.255 -5.000 56 HB2 LYS 7 2HB LYS 7 -7.621 -21.296 -6.248 57 HB3 LYS 7 1HB LYS 7 -6.982 -20.328 -7.568 58 HG2 LYS 7 2HG LYS 7 -5.154 -21.163 -6.265 59 HG3 LYS 7 1HG LYS 7 -5.275 -19.420 -6.020 60 HD2 LYS 7 2HD LYS 7 -6.601 -19.924 -3.923 61 HD3 LYS 7 1HD LYS 7 -6.151 -21.616 -4.144 62 HE2 LYS 7 2HE LYS 7 -4.621 -20.618 -2.607 63 HE3 LYS 7 1HE LYS 7 -3.770 -20.896 -4.126 64 HZ1 LYS 7 3HZ LYS 7 -4.191 -18.508 -4.679 65 HZ2 LYS 7 1HZ LYS 7 -3.210 -18.760 -3.339 66 HZ3 LYS 7 2HZ LYS 7 -4.803 -18.293 -3.115 67 H THR 8 H THR 8 -7.138 -17.478 -4.419 68 HA THR 8 HA THR 8 -6.752 -15.272 -6.077 69 HB THR 8 HB THR 8 -5.251 -15.143 -3.747 70 HG1 THR 8 1HG THR 8 -6.805 -15.791 -2.221 71 HG21 THR 8 3HG2 THR 8 -7.998 -14.151 -4.482 72 HG22 THR 8 1HG2 THR 8 -6.419 -13.393 -4.736 73 HG23 THR 8 2HG2 THR 8 -7.039 -13.591 -3.084 74 H ARG 9 H ARG 9 -4.632 -14.111 -5.773 75 HA ARG 9 HA ARG 9 -2.400 -15.734 -6.637 76 HB2 ARG 9 2HB ARG 9 -2.984 -12.829 -6.390 77 HB3 ARG 9 1HB ARG 9 -1.366 -13.384 -6.828 78 HG2 ARG 9 2HG ARG 9 -2.253 -14.274 -8.890 79 HG3 ARG 9 1HG ARG 9 -3.903 -13.872 -8.372 80 HD2 ARG 9 2HD ARG 9 -3.289 -11.485 -8.260 81 HD3 ARG 9 1HD ARG 9 -1.664 -11.874 -8.772 82 HE ARG 9 HE ARG 9 -2.486 -11.328 -10.814 83 HH11 ARG 9 1HH1 ARG 9 -4.959 -13.688 -9.628 84 HH12 ARG 9 2HH1 ARG 9 -6.043 -13.227 -10.823 85 HH21 ARG 9 1HH2 ARG 9 -4.041 -10.807 -12.348 86 HH22 ARG 9 2HH2 ARG 9 -5.566 -11.644 -12.410 87 H ASP 10 H ASP 10 -1.101 -16.412 -4.957 88 HA ASP 10 HA ASP 10 -1.343 -15.152 -2.377 89 HB2 ASP 10 2HB ASP 10 0.514 -17.362 -3.294 90 HB3 ASP 10 1HB ASP 10 0.477 -16.747 -1.651 91 H VAL 11 H VAL 11 -0.713 -13.183 -2.648 92 HA VAL 11 HA VAL 11 1.811 -12.523 -3.827 93 HB VAL 11 HB VAL 11 1.239 -10.134 -3.080 94 HG11 VAL 11 1HG1 VAL 11 -0.759 -11.535 -4.839 95 HG12 VAL 11 2HG1 VAL 11 0.832 -10.908 -5.339 96 HG13 VAL 11 3HG1 VAL 11 -0.422 -9.802 -4.757 97 HG21 VAL 11 3HG2 VAL 11 -1.029 -9.671 -2.404 98 HG22 VAL 11 1HG2 VAL 11 -0.231 -10.809 -1.315 99 HG23 VAL 11 2HG2 VAL 11 -1.431 -11.396 -2.489 100 H THR 12 H THR 12 3.179 -13.530 -2.584 101 HA THR 12 HA THR 12 3.531 -12.351 0.092 102 HB THR 12 HB THR 12 4.672 -14.183 0.795 103 HG1 THR 12 1HG THR 12 4.320 -15.473 -1.780 104 HG21 THR 12 3HG2 THR 12 3.009 -15.953 0.653 105 HG22 THR 12 1HG2 THR 12 2.394 -15.241 -0.851 106 HG23 THR 12 2HG2 THR 12 2.234 -14.347 0.638 107 H ASP 13 H ASP 13 4.965 -13.170 -2.897 108 HA ASP 13 HA ASP 13 7.586 -12.294 -2.384 109 HB2 ASP 13 2HB ASP 13 7.729 -12.618 -4.863 110 HB3 ASP 13 1HB ASP 13 7.112 -14.035 -4.017 111 H ASP 14 H ASP 14 4.624 -11.108 -3.850 112 HA ASP 14 HA ASP 14 5.830 -8.652 -4.699 113 HB2 ASP 14 2HB ASP 14 3.629 -9.582 -5.719 114 HB3 ASP 14 1HB ASP 14 2.867 -8.953 -4.265 115 H VAL 15 H VAL 15 3.899 -9.661 -2.017 116 HA VAL 15 HA VAL 15 3.780 -7.148 -0.796 117 HB VAL 15 HB VAL 15 3.267 -9.948 0.283 118 HG11 VAL 15 1HG1 VAL 15 2.286 -8.889 2.273 119 HG12 VAL 15 2HG1 VAL 15 2.800 -7.300 1.705 120 HG13 VAL 15 3HG1 VAL 15 4.004 -8.500 2.178 121 HG21 VAL 15 3HG2 VAL 15 0.949 -9.172 0.198 122 HG22 VAL 15 1HG2 VAL 15 1.705 -9.045 -1.384 123 HG23 VAL 15 2HG2 VAL 15 1.478 -7.605 -0.399 124 H LYS 16 H LYS 16 6.160 -9.707 -0.593 125 HA LYS 16 HA LYS 16 7.738 -8.605 1.498 126 HB2 LYS 16 2HB LYS 16 7.954 -10.942 0.451 127 HB3 LYS 16 1HB LYS 16 8.742 -10.159 -0.898 128 HG2 LYS 16 2HG LYS 16 10.394 -11.132 0.585 129 HG3 LYS 16 1HG LYS 16 10.535 -9.372 0.579 130 HD2 LYS 16 2HD LYS 16 10.739 -10.252 2.846 131 HD3 LYS 16 1HD LYS 16 9.287 -9.271 2.700 132 HE2 LYS 16 2HE LYS 16 8.746 -11.239 3.959 133 HE3 LYS 16 1HE LYS 16 7.970 -11.387 2.395 134 HZ1 LYS 16 3HZ LYS 16 9.834 -12.831 1.705 135 HZ2 LYS 16 1HZ LYS 16 8.971 -13.449 3.029 136 HZ3 LYS 16 2HZ LYS 16 10.464 -12.713 3.278 137 H SER 17 H SER 17 7.763 -8.330 -1.998 138 HA SER 17 HA SER 17 9.790 -6.501 -2.402 139 HB2 SER 17 2HB SER 17 8.728 -7.744 -4.216 140 HB3 SER 17 1HB SER 17 7.178 -7.000 -3.864 141 HG SER 17 HG SER 17 9.398 -6.011 -5.194 142 H ILE 18 H ILE 18 6.313 -5.992 -1.802 143 HA ILE 18 HA ILE 18 6.149 -3.255 -1.808 144 HB ILE 18 HB ILE 18 4.635 -5.360 -0.311 145 HG12 ILE 18 2HG1 ILE 18 3.825 -3.400 -2.470 146 HG13 ILE 18 1HG1 ILE 18 4.230 -5.090 -2.719 147 HG21 ILE 18 1HG2 ILE 18 3.024 -3.709 0.537 148 HG22 ILE 18 2HG2 ILE 18 4.092 -2.410 -0.022 149 HG23 ILE 18 3HG2 ILE 18 4.644 -3.533 1.225 150 HD11 ILE 18 3HD1 ILE 18 1.834 -4.734 -2.770 151 HD12 ILE 18 1HD1 ILE 18 1.887 -4.037 -1.152 152 HD13 ILE 18 2HD1 ILE 18 2.277 -5.739 -1.391 153 H VAL 19 H VAL 19 7.120 -5.341 0.868 154 HA VAL 19 HA VAL 19 7.298 -3.313 2.753 155 HB VAL 19 HB VAL 19 8.644 -5.990 2.615 156 HG11 VAL 19 1HG1 VAL 19 8.641 -3.999 4.915 157 HG12 VAL 19 2HG1 VAL 19 10.075 -4.432 3.980 158 HG13 VAL 19 3HG1 VAL 19 9.283 -5.641 4.999 159 HG21 VAL 19 3HG2 VAL 19 6.442 -4.740 4.140 160 HG22 VAL 19 1HG2 VAL 19 7.052 -6.372 4.482 161 HG23 VAL 19 2HG2 VAL 19 6.319 -6.010 2.902 162 H ARG 20 H ARG 20 9.824 -4.542 0.603 163 HA ARG 20 HA ARG 20 11.873 -2.759 1.405 164 HB2 ARG 20 2HB ARG 20 12.494 -4.398 -0.240 165 HB3 ARG 20 1HB ARG 20 11.220 -3.869 -1.339 166 HG2 ARG 20 2HG ARG 20 12.407 -1.626 -1.413 167 HG3 ARG 20 1HG ARG 20 13.757 -2.424 -0.620 168 HD2 ARG 20 2HD ARG 20 14.203 -3.751 -2.485 169 HD3 ARG 20 1HD ARG 20 12.589 -3.491 -3.167 170 HE ARG 20 HE ARG 20 13.639 -0.988 -3.034 171 HH11 ARG 20 1HH1 ARG 20 14.831 -3.914 -4.600 172 HH12 ARG 20 2HH1 ARG 20 15.544 -3.065 -5.902 173 HH21 ARG 20 1HH2 ARG 20 14.481 0.095 -4.628 174 HH22 ARG 20 2HH2 ARG 20 15.363 -0.589 -5.941 175 H PHE 21 H PHE 21 9.250 -2.374 -0.835 176 HA PHE 21 HA PHE 21 10.032 0.156 -1.722 177 HB2 PHE 21 2HB PHE 21 7.583 -1.423 -2.093 178 HB3 PHE 21 1HB PHE 21 7.767 0.212 -2.755 179 HD1 PHE 21 2HD PHE 21 10.172 0.594 -3.740 180 HD2 PHE 21 1HD PHE 21 8.159 -3.086 -3.536 181 HE1 PHE 21 2HE PHE 21 11.545 -0.201 -5.560 182 HE2 PHE 21 1HE PHE 21 9.550 -3.965 -5.392 183 HZ PHE 21 HZ PHE 21 11.263 -2.520 -6.410 184 H VAL 22 H VAL 22 7.701 -0.791 0.731 185 HA VAL 22 HA VAL 22 6.917 1.868 1.004 186 HB VAL 22 HB VAL 22 5.908 1.202 3.227 187 HG11 VAL 22 1HG1 VAL 22 4.147 -0.203 2.227 188 HG12 VAL 22 2HG1 VAL 22 5.185 -0.478 0.827 189 HG13 VAL 22 3HG1 VAL 22 4.594 1.145 1.181 190 HG21 VAL 22 3HG2 VAL 22 6.868 -1.488 2.368 191 HG22 VAL 22 1HG2 VAL 22 5.777 -1.216 3.733 192 HG23 VAL 22 2HG2 VAL 22 7.443 -0.603 3.784 193 H GLN 23 H GLN 23 9.375 -0.122 2.556 194 HA GLN 23 HA GLN 23 10.282 1.802 4.319 195 HB2 GLN 23 2HB GLN 23 11.767 -0.340 2.819 196 HB3 GLN 23 1HB GLN 23 12.500 0.628 4.080 197 HG2 GLN 23 2HG GLN 23 10.173 -1.266 4.370 198 HG3 GLN 23 1HG GLN 23 11.811 -1.512 4.968 199 HE21 GLN 23 1HE2 GLN 23 12.492 -0.350 6.784 200 HE22 GLN 23 2HE2 GLN 23 11.348 0.438 7.821 201 H GLU 24 H GLU 24 11.248 1.332 0.873 202 HA GLU 24 HA GLU 24 12.863 3.706 1.012 203 HB2 GLU 24 2HB GLU 24 13.277 3.485 -1.402 204 HB3 GLU 24 1HB GLU 24 13.620 2.000 -0.532 205 HG2 GLU 24 2HG GLU 24 11.751 0.943 -1.390 206 HG3 GLU 24 1HG GLU 24 11.022 2.451 -1.964 207 H HIS 25 H HIS 25 9.643 3.425 0.923 208 HA HIS 25 HA HIS 25 9.031 5.662 -0.765 209 HB2 HIS 25 2HB HIS 25 7.427 4.334 1.422 210 HB3 HIS 25 1HB HIS 25 6.874 5.830 0.699 211 HD1 HIS 25 1HD HIS 25 5.504 2.931 0.587 212 HD2 HIS 25 2HD HIS 25 7.580 4.821 -2.470 213 HE1 HIS 25 1HE HIS 25 4.628 1.925 -1.548 214 HE2 HIS 25 2HE HIS 25 5.708 3.276 -3.359 215 H SER 26 H SER 26 10.411 5.310 2.308 216 HA SER 26 HA SER 26 9.788 7.749 3.496 217 HB2 SER 26 2HB SER 26 12.366 6.173 3.693 218 HB3 SER 26 1HB SER 26 11.750 7.336 4.871 219 HG SER 26 HG SER 26 11.023 4.713 4.417 220 H SER 27 H SER 27 11.990 6.912 0.912 221 HA SER 27 HA SER 27 13.073 9.600 0.838 222 HB2 SER 27 2HB SER 27 13.469 7.306 -1.107 223 HB3 SER 27 1HB SER 27 14.446 8.773 -0.990 224 HG SER 27 HG SER 27 14.585 7.885 1.362 225 H SER 28 H SER 28 11.258 10.714 0.505 226 HA SER 28 HA SER 28 9.480 10.066 -1.720 227 HB2 SER 28 2HB SER 28 8.570 10.084 0.588 228 HB3 SER 28 1HB SER 28 9.105 11.750 0.762 229 HG SER 28 HG SER 28 6.828 11.147 0.125 230 H GLN 29 H GLN 29 8.347 12.715 -1.496 231 HA GLN 29 HA GLN 29 8.433 14.828 -2.340 232 HB2 GLN 29 2HB GLN 29 11.406 14.510 -1.899 233 HB3 GLN 29 1HB GLN 29 10.640 16.011 -2.390 234 HG2 GLN 29 2HG GLN 29 9.470 16.166 -0.309 235 HG3 GLN 29 1HG GLN 29 10.013 14.554 0.165 236 HE21 GLN 29 1HE2 GLN 29 10.977 15.373 2.030 237 HE22 GLN 29 2HE2 GLN 29 12.446 16.280 1.967 238 H GLY 30 H GLY 30 8.543 12.466 -3.897 239 HA2 GLY 30 2HA GLY 30 10.139 13.106 -6.241 240 HA3 GLY 30 1HA GLY 30 9.196 11.642 -5.982 241 H MET 31 H MET 31 8.583 15.074 -6.045 242 HA MET 31 HA MET 31 6.026 14.622 -7.320 243 HB2 MET 31 2HB MET 31 7.399 17.197 -6.541 244 HB3 MET 31 1HB MET 31 5.792 17.105 -7.242 245 HG2 MET 31 2HG MET 31 5.004 15.858 -5.315 246 HG3 MET 31 1HG MET 31 6.627 15.879 -4.624 247 HE1 MET 31 3HE MET 31 4.600 18.328 -2.309 248 HE2 MET 31 1HE MET 31 5.601 16.875 -2.363 249 HE3 MET 31 2HE MET 31 3.994 16.865 -3.088 250 H ARG 32 H ARG 32 8.592 16.915 -8.166 251 HA ARG 32 HA ARG 32 7.820 16.594 -10.955 252 HB2 ARG 32 2HB ARG 32 9.172 18.596 -11.413 253 HB3 ARG 32 1HB ARG 32 7.957 18.879 -10.180 254 HG2 ARG 32 2HG ARG 32 9.666 18.725 -8.447 255 HG3 ARG 32 1HG ARG 32 10.891 18.397 -9.675 256 HD2 ARG 32 2HD ARG 32 10.950 20.744 -9.011 257 HD3 ARG 32 1HD ARG 32 10.450 20.587 -10.693 258 HE ARG 32 HE ARG 32 8.189 20.646 -9.031 259 HH11 ARG 32 1HH1 ARG 32 10.701 22.818 -10.247 260 HH12 ARG 32 2HH1 ARG 32 9.778 24.238 -10.147 261 HH21 ARG 32 1HH2 ARG 32 6.853 22.621 -8.878 262 HH22 ARG 32 2HH2 ARG 32 7.506 24.111 -9.338 263 H ASN 33 H ASN 33 9.868 14.944 -9.092 264 HA ASN 33 HA ASN 33 11.536 14.211 -11.334 265 HB2 ASN 33 2HB ASN 33 12.820 16.059 -10.174 266 HB3 ASN 33 1HB ASN 33 12.804 15.083 -8.710 267 HD21 ASN 33 1HD2 ASN 33 14.250 13.230 -8.567 268 HD22 ASN 33 2HD2 ASN 33 15.437 13.006 -9.781 269 H ILE 34 H ILE 34 12.362 12.118 -11.042 270 HA ILE 34 HA ILE 34 10.874 10.610 -9.149 271 HB ILE 34 HB ILE 34 12.622 9.838 -11.475 272 HG12 ILE 34 2HG1 ILE 34 10.695 8.472 -12.174 273 HG13 ILE 34 1HG1 ILE 34 9.866 8.831 -10.681 274 HG21 ILE 34 1HG2 ILE 34 12.503 7.438 -10.924 275 HG22 ILE 34 2HG2 ILE 34 11.802 7.845 -9.358 276 HG23 ILE 34 3HG2 ILE 34 13.448 8.342 -9.738 277 HD11 ILE 34 3HD1 ILE 34 9.747 11.214 -11.409 278 HD12 ILE 34 1HD1 ILE 34 8.887 10.066 -12.435 279 HD13 ILE 34 2HD1 ILE 34 10.448 10.716 -12.956 280 H LYS 35 H LYS 35 11.384 11.115 -7.262 281 HA LYS 35 HA LYS 35 12.273 10.881 -5.198 282 HB2 LYS 35 2HB LYS 35 12.628 8.495 -5.982 283 HB3 LYS 35 1HB LYS 35 14.257 8.932 -6.450 284 HG2 LYS 35 2HG LYS 35 14.804 9.397 -4.089 285 HG3 LYS 35 1HG LYS 35 13.161 8.961 -3.623 286 HD2 LYS 35 2HD LYS 35 15.147 7.106 -4.964 287 HD3 LYS 35 1HD LYS 35 14.835 7.158 -3.232 288 HE2 LYS 35 2HE LYS 35 12.780 6.505 -5.352 289 HE3 LYS 35 1HE LYS 35 13.646 5.318 -4.387 290 HZ1 LYS 35 3HZ LYS 35 12.564 6.046 -2.430 291 HZ2 LYS 35 1HZ LYS 35 11.365 5.880 -3.578 292 HZ3 LYS 35 2HZ LYS 35 11.914 7.417 -3.140 293 H HIS 36 H HIS 36 14.456 11.109 -3.936 294 HA HIS 36 HA HIS 36 16.845 11.888 -4.854 295 HB2 HIS 36 2HB HIS 36 16.942 14.345 -4.415 296 HB3 HIS 36 1HB HIS 36 15.871 14.006 -5.756 297 HD1 HIS 36 1HD HIS 36 13.451 14.724 -5.509 298 HD2 HIS 36 2HD HIS 36 15.669 15.341 -2.057 299 HE1 HIS 36 1HE HIS 36 12.068 16.259 -4.079 300 HE2 HIS 36 2HE HIS 36 13.302 16.354 -1.893 301 H VAL 37 H VAL 37 17.955 13.189 -2.863 302 HA VAL 37 HA VAL 37 17.274 11.631 -0.609 303 HB VAL 37 HB VAL 37 19.030 13.023 0.608 304 HG11 VAL 37 1HG1 VAL 37 19.598 10.915 -0.473 305 HG12 VAL 37 2HG1 VAL 37 20.920 12.070 -0.644 306 HG13 VAL 37 3HG1 VAL 37 19.845 11.752 -2.005 307 HG21 VAL 37 3HG2 VAL 37 20.484 14.480 -0.744 308 HG22 VAL 37 1HG2 VAL 37 18.833 15.095 -0.711 309 HG23 VAL 37 2HG2 VAL 37 19.430 14.250 -2.138 310 H GLY 38 H GLY 38 15.333 11.965 0.150 311 HA2 GLY 38 2HA GLY 38 14.857 14.404 1.617 312 HA3 GLY 38 1HA GLY 38 13.737 14.075 0.301 313 HA PRO 39 HA PRO 39 13.131 10.731 3.691 314 HB2 PRO 39 2HB PRO 39 13.772 12.090 6.181 315 HB3 PRO 39 1HB PRO 39 14.480 10.596 5.539 316 HG2 PRO 39 2HG PRO 39 15.884 12.891 5.770 317 HG3 PRO 39 1HG PRO 39 16.215 11.651 4.542 318 HD2 PRO 39 2HD PRO 39 14.750 14.238 4.242 319 HD3 PRO 39 1HD PRO 39 15.910 13.450 3.147 320 H SER 40 H SER 40 11.012 10.978 3.411 321 HA SER 40 HA SER 40 9.545 12.558 5.325 322 HB2 SER 40 2HB SER 40 9.075 12.883 2.333 323 HB3 SER 40 1HB SER 40 8.162 13.661 3.623 324 HG SER 40 HG SER 40 10.664 14.199 4.084 325 H GLY 41 H GLY 41 8.269 11.057 6.157 326 HA2 GLY 41 2HA GLY 41 7.319 8.874 4.430 327 HA3 GLY 41 1HA GLY 41 7.407 8.808 6.189 328 H ARG 42 H ARG 42 5.316 8.307 6.542 329 HA ARG 42 HA ARG 42 3.138 8.663 7.037 330 HB2 ARG 42 2HB ARG 42 3.752 11.559 6.396 331 HB3 ARG 42 1HB ARG 42 2.212 11.015 7.033 332 HG2 ARG 42 2HG ARG 42 4.805 10.525 8.476 333 HG3 ARG 42 1HG ARG 42 3.889 12.016 8.672 334 HD2 ARG 42 2HD ARG 42 3.373 10.452 10.465 335 HD3 ARG 42 1HD ARG 42 1.960 10.727 9.459 336 HE ARG 42 HE ARG 42 3.479 8.375 8.763 337 HH11 ARG 42 1HH1 ARG 42 0.882 9.656 10.884 338 HH12 ARG 42 2HH1 ARG 42 0.124 8.173 11.020 339 HH21 ARG 42 1HH2 ARG 42 2.251 6.209 9.037 340 HH22 ARG 42 2HH2 ARG 42 0.882 6.326 10.055 341 H PHE 43 H PHE 43 2.967 7.303 5.205 342 HA PHE 43 HA PHE 43 1.568 8.522 2.919 343 HB2 PHE 43 2HB PHE 43 2.206 6.233 1.889 344 HB3 PHE 43 1HB PHE 43 3.421 7.498 1.963 345 HD1 PHE 43 1HD PHE 43 2.262 4.413 3.698 346 HD2 PHE 43 2HD PHE 43 5.470 7.121 3.022 347 HE1 PHE 43 1HE PHE 43 3.799 2.875 4.854 348 HE2 PHE 43 2HE PHE 43 7.010 5.595 4.177 349 HZ PHE 43 HZ PHE 43 6.177 3.467 5.096 350 H THR 44 H THR 44 -0.391 8.193 2.588 351 HA THR 44 HA THR 44 -1.801 6.430 4.385 352 HB THR 44 HB THR 44 -3.840 7.439 3.389 353 HG1 THR 44 1HG THR 44 -3.453 9.128 1.802 354 HG21 THR 44 3HG2 THR 44 -3.475 9.781 3.968 355 HG22 THR 44 1HG2 THR 44 -1.730 9.535 3.898 356 HG23 THR 44 2HG2 THR 44 -2.685 8.724 5.134 357 H MET 45 H MET 45 -3.189 4.737 3.557 358 HA MET 45 HA MET 45 -2.073 2.977 1.850 359 HB2 MET 45 2HB MET 45 -4.277 1.864 1.594 360 HB3 MET 45 1HB MET 45 -3.964 2.338 3.257 361 HG2 MET 45 2HG MET 45 -5.500 4.143 3.129 362 HG3 MET 45 1HG MET 45 -5.613 4.013 1.379 363 HE1 MET 45 3HE MET 45 -8.136 4.284 3.267 364 HE2 MET 45 1HE MET 45 -9.217 3.084 2.557 365 HE3 MET 45 2HE MET 45 -8.245 4.122 1.515 366 H ASN 46 H ASN 46 -4.330 5.549 0.969 367 HA ASN 46 HA ASN 46 -4.837 4.725 -1.692 368 HB2 ASN 46 2HB ASN 46 -5.113 7.488 -0.494 369 HB3 ASN 46 1HB ASN 46 -5.803 6.964 -2.023 370 HD21 ASN 46 1HD2 ASN 46 -7.653 5.592 -1.997 371 HD22 ASN 46 2HD2 ASN 46 -8.524 5.333 -0.549 372 H MET 47 H MET 47 -2.341 6.695 -0.244 373 HA MET 47 HA MET 47 -1.476 7.770 -2.755 374 HB2 MET 47 2HB MET 47 -0.108 7.709 -0.057 375 HB3 MET 47 1HB MET 47 0.551 8.509 -1.473 376 HG2 MET 47 2HG MET 47 -2.048 9.200 -0.119 377 HG3 MET 47 1HG MET 47 -0.530 10.066 0.074 378 HE1 MET 47 3HE MET 47 -3.326 11.402 -0.712 379 HE2 MET 47 1HE MET 47 -2.809 12.546 -1.951 380 HE3 MET 47 2HE MET 47 -1.837 12.321 -0.499 381 H LEU 48 H LEU 48 -0.679 5.092 -0.680 382 HA LEU 48 HA LEU 48 1.665 4.260 -1.956 383 HB2 LEU 48 2HB LEU 48 -0.424 2.633 -0.530 384 HB3 LEU 48 1HB LEU 48 1.174 2.057 -0.962 385 HG LEU 48 HG LEU 48 0.571 4.289 0.997 386 HD11 LEU 48 1HD1 LEU 48 0.035 2.055 1.835 387 HD12 LEU 48 2HD1 LEU 48 1.450 2.730 2.642 388 HD13 LEU 48 3HD1 LEU 48 1.649 1.503 1.391 389 HD21 LEU 48 3HD2 LEU 48 2.595 4.741 -0.188 390 HD22 LEU 48 1HD2 LEU 48 3.172 3.088 0.069 391 HD23 LEU 48 2HD2 LEU 48 2.975 4.180 1.440 392 H VAL 49 H VAL 49 -1.753 3.569 -2.697 393 HA VAL 49 HA VAL 49 -1.422 1.653 -4.610 394 HB VAL 49 HB VAL 49 -3.501 3.757 -4.081 395 HG11 VAL 49 1HG1 VAL 49 -3.541 1.291 -5.698 396 HG12 VAL 49 2HG1 VAL 49 -3.628 2.973 -6.272 397 HG13 VAL 49 3HG1 VAL 49 -4.971 2.284 -5.315 398 HG21 VAL 49 3HG2 VAL 49 -3.056 2.305 -2.258 399 HG22 VAL 49 1HG2 VAL 49 -3.285 0.884 -3.272 400 HG23 VAL 49 2HG2 VAL 49 -4.655 1.967 -2.942 401 H ASP 50 H ASP 50 -1.608 5.133 -4.669 402 HA ASP 50 HA ASP 50 -1.759 5.621 -7.427 403 HB2 ASP 50 2HB ASP 50 -1.540 7.248 -5.195 404 HB3 ASP 50 1HB ASP 50 -0.005 7.513 -6.001 405 H ILE 51 H ILE 51 1.071 5.281 -5.377 406 HA ILE 51 HA ILE 51 2.990 5.450 -7.495 407 HB ILE 51 HB ILE 51 3.353 4.258 -4.690 408 HG12 ILE 51 2HG1 ILE 51 4.683 6.195 -4.166 409 HG13 ILE 51 1HG1 ILE 51 4.527 6.822 -5.790 410 HG21 ILE 51 1HG2 ILE 51 4.903 3.306 -6.350 411 HG22 ILE 51 2HG2 ILE 51 5.733 4.285 -5.126 412 HG23 ILE 51 3HG2 ILE 51 5.421 4.953 -6.733 413 HD11 ILE 51 3HD1 ILE 51 2.333 6.595 -3.750 414 HD12 ILE 51 1HD1 ILE 51 2.219 7.241 -5.391 415 HD13 ILE 51 2HD1 ILE 51 3.230 8.064 -4.198 416 H PHE 52 H PHE 52 1.330 2.781 -5.894 417 HA PHE 52 HA PHE 52 2.843 0.621 -6.800 418 HB2 PHE 52 2HB PHE 52 1.119 0.572 -4.958 419 HB3 PHE 52 1HB PHE 52 -0.126 0.608 -6.196 420 HD1 PHE 52 2HD PHE 52 3.012 -1.359 -5.723 421 HD2 PHE 52 1HD PHE 52 -1.208 -1.487 -6.352 422 HE1 PHE 52 2HE PHE 52 3.080 -3.810 -5.803 423 HE2 PHE 52 1HE PHE 52 -1.122 -3.908 -6.438 424 HZ PHE 52 HZ PHE 52 1.015 -5.087 -6.161 425 H LEU 53 H LEU 53 0.033 2.172 -8.285 426 HA LEU 53 HA LEU 53 0.110 0.361 -10.533 427 HB2 LEU 53 2HB LEU 53 -1.700 2.514 -9.666 428 HB3 LEU 53 1HB LEU 53 -1.556 2.316 -11.399 429 HG LEU 53 HG LEU 53 -2.249 -0.035 -11.177 430 HD11 LEU 53 1HD1 LEU 53 -3.267 -0.810 -9.171 431 HD12 LEU 53 2HD1 LEU 53 -2.640 0.594 -8.268 432 HD13 LEU 53 3HD1 LEU 53 -1.534 -0.586 -9.015 433 HD21 LEU 53 3HD2 LEU 53 -4.154 1.939 -9.961 434 HD22 LEU 53 1HD2 LEU 53 -4.545 0.340 -10.598 435 HD23 LEU 53 2HD2 LEU 53 -3.926 1.594 -11.686 436 H GLY 54 H GLY 54 1.609 3.318 -9.780 437 HA2 GLY 54 2HA GLY 54 3.401 4.159 -11.078 438 HA3 GLY 54 1HA GLY 54 2.726 3.350 -12.486 439 H SER 55 H SER 55 0.870 5.337 -10.307 440 HA SER 55 HA SER 55 -0.004 7.043 -12.434 441 HB2 SER 55 2HB SER 55 -1.502 6.405 -10.583 442 HB3 SER 55 1HB SER 55 -0.378 7.083 -9.439 443 HG SER 55 HG SER 55 -1.485 8.704 -9.590 444 H LYS 56 H LYS 56 0.781 9.111 -12.833 445 HA LYS 56 HA LYS 56 3.222 9.721 -11.421 446 HB2 LYS 56 2HB LYS 56 2.942 9.938 -13.992 447 HB3 LYS 56 1HB LYS 56 2.069 11.424 -13.660 448 HG2 LYS 56 2HG LYS 56 4.823 11.059 -12.532 449 HG3 LYS 56 1HG LYS 56 4.632 11.477 -14.230 450 HD2 LYS 56 2HD LYS 56 3.915 13.589 -13.753 451 HD3 LYS 56 1HD LYS 56 3.105 13.086 -12.270 452 HE2 LYS 56 2HE LYS 56 6.098 13.300 -12.590 453 HE3 LYS 56 1HE LYS 56 5.081 14.561 -11.895 454 HZ1 LYS 56 3HZ LYS 56 4.346 12.783 -10.232 455 HZ2 LYS 56 1HZ LYS 56 5.931 13.354 -10.086 456 HZ3 LYS 56 2HZ LYS 56 5.654 11.854 -10.759 457 H SER 57 H SER 57 0.100 10.206 -10.780 458 HA SER 57 HA SER 57 0.168 12.855 -9.703 459 HB2 SER 57 2HB SER 57 -1.692 10.577 -8.993 460 HB3 SER 57 1HB SER 57 -2.024 12.308 -8.905 461 HG SER 57 HG SER 57 -2.304 10.608 -10.960 462 H ALA 58 H ALA 58 1.494 9.940 -8.937 463 HA ALA 58 HA ALA 58 1.550 9.693 -6.192 464 HB1 ALA 58 1HB ALA 58 2.235 8.016 -7.773 465 HB2 ALA 58 2HB ALA 58 3.547 8.377 -6.632 466 HB3 ALA 58 3HB ALA 58 3.589 9.022 -8.276 467 H LYS 59 H LYS 59 2.979 10.411 -4.665 468 HA LYS 59 HA LYS 59 4.468 12.863 -5.328 469 HB2 LYS 59 2HB LYS 59 3.452 11.906 -2.619 470 HB3 LYS 59 1HB LYS 59 4.322 13.399 -2.896 471 HG2 LYS 59 2HG LYS 59 2.003 13.939 -2.621 472 HG3 LYS 59 1HG LYS 59 2.394 14.168 -4.323 473 HD2 LYS 59 2HD LYS 59 1.430 11.932 -4.802 474 HD3 LYS 59 1HD LYS 59 0.990 11.784 -3.104 475 HE2 LYS 59 2HE LYS 59 -0.550 13.612 -3.285 476 HE3 LYS 59 1HE LYS 59 0.014 13.988 -4.916 477 HZ1 LYS 59 3HZ LYS 59 -0.789 11.900 -5.680 478 HZ2 LYS 59 1HZ LYS 59 -2.076 12.723 -4.969 479 HZ3 LYS 59 2HZ LYS 59 -1.329 11.435 -4.146 480 H ILE 60 H ILE 60 4.975 9.707 -4.970 481 HA ILE 60 HA ILE 60 7.665 10.012 -3.837 482 HB ILE 60 HB ILE 60 5.828 7.655 -3.402 483 HG12 ILE 60 2HG1 ILE 60 6.728 9.724 -1.383 484 HG13 ILE 60 1HG1 ILE 60 5.106 9.597 -2.055 485 HG21 ILE 60 1HG2 ILE 60 8.126 7.004 -3.552 486 HG22 ILE 60 2HG2 ILE 60 7.602 6.876 -1.869 487 HG23 ILE 60 3HG2 ILE 60 8.607 8.233 -2.380 488 HD11 ILE 60 3HD1 ILE 60 5.223 8.624 0.169 489 HD12 ILE 60 1HD1 ILE 60 6.508 7.547 -0.394 490 HD13 ILE 60 2HD1 ILE 60 4.883 7.388 -1.060 491 H GLN 61 H GLN 61 9.036 9.345 -5.471 492 HA GLN 61 HA GLN 61 7.908 7.312 -7.265 493 HB2 GLN 61 2HB GLN 61 10.305 9.016 -7.866 494 HB3 GLN 61 1HB GLN 61 9.365 8.026 -8.960 495 HG2 GLN 61 2HG GLN 61 8.452 10.622 -7.704 496 HG3 GLN 61 1HG GLN 61 9.060 10.451 -9.342 497 HE21 GLN 61 1HE2 GLN 61 6.602 8.463 -7.641 498 HE22 GLN 61 2HE2 GLN 61 5.378 8.855 -8.779 499 H SER 62 H SER 62 8.385 5.590 -6.142 500 HA SER 62 HA SER 62 11.213 5.023 -5.542 501 HB2 SER 62 2HB SER 62 8.679 3.691 -4.545 502 HB3 SER 62 1HB SER 62 10.308 3.126 -4.163 503 HG SER 62 HG SER 62 10.158 4.440 -2.585 504 H GLY 63 H GLY 63 11.592 2.407 -5.794 505 HA2 GLY 63 2HA GLY 63 11.471 2.044 -8.653 506 HA3 GLY 63 1HA GLY 63 12.188 0.935 -7.501 507 H ILE 64 H ILE 64 9.102 1.664 -6.675 508 HA ILE 64 HA ILE 64 8.033 -0.928 -7.598 509 HB ILE 64 HB ILE 64 8.021 -0.314 -5.205 510 HG12 ILE 64 2HG1 ILE 64 5.313 -0.773 -6.467 511 HG13 ILE 64 1HG1 ILE 64 6.510 -1.887 -5.765 512 HG21 ILE 64 1HG2 ILE 64 6.132 1.713 -6.125 513 HG22 ILE 64 2HG2 ILE 64 7.758 1.981 -5.406 514 HG23 ILE 64 3HG2 ILE 64 6.408 1.353 -4.403 515 HD11 ILE 64 3HD1 ILE 64 4.917 0.099 -4.163 516 HD12 ILE 64 1HD1 ILE 64 6.036 -1.121 -3.551 517 HD13 ILE 64 2HD1 ILE 64 4.534 -1.618 -4.320 518 H PHE 65 H PHE 65 8.278 2.037 -8.655 519 HA PHE 65 HA PHE 65 5.656 3.005 -8.990 520 HB2 PHE 65 2HB PHE 65 7.797 4.305 -8.840 521 HB3 PHE 65 1HB PHE 65 8.147 3.782 -10.486 522 HD1 PHE 65 1HD PHE 65 5.291 5.117 -8.628 523 HD2 PHE 65 2HD PHE 65 7.773 5.403 -12.027 524 HE1 PHE 65 1HE PHE 65 4.060 7.062 -9.277 525 HE2 PHE 65 2HE PHE 65 6.548 7.396 -12.788 526 HZ PHE 65 HZ PHE 65 4.720 8.274 -11.466 527 H GLY 66 H GLY 66 4.423 1.583 -10.022 528 HA2 GLY 66 2HA GLY 66 3.448 1.127 -12.138 529 HA3 GLY 66 1HA GLY 66 5.059 1.152 -12.840 530 H LYS 67 H LYS 67 4.897 -0.586 -9.843 531 HA LYS 67 HA LYS 67 5.397 -3.061 -11.192 532 HB2 LYS 67 2HB LYS 67 4.304 -2.788 -8.399 533 HB3 LYS 67 1HB LYS 67 4.902 -4.257 -9.125 534 HG2 LYS 67 2HG LYS 67 7.135 -2.892 -9.277 535 HG3 LYS 67 1HG LYS 67 6.356 -1.935 -8.001 536 HD2 LYS 67 2HD LYS 67 6.911 -4.917 -7.960 537 HD3 LYS 67 1HD LYS 67 7.597 -3.688 -6.900 538 HE2 LYS 67 2HE LYS 67 5.356 -3.322 -5.871 539 HE3 LYS 67 1HE LYS 67 4.673 -4.439 -7.031 540 HZ1 LYS 67 3HZ LYS 67 5.538 -6.179 -6.084 541 HZ2 LYS 67 1HZ LYS 67 5.105 -5.313 -4.764 542 HZ3 LYS 67 2HZ LYS 67 6.776 -5.424 -5.196 543 H GLY 68 H GLY 68 2.553 -1.922 -9.445 544 HA2 GLY 68 2HA GLY 68 1.123 -4.304 -10.385 545 HA3 GLY 68 1HA GLY 68 0.634 -3.268 -9.055 546 H SER 69 H SER 69 1.472 -2.542 -12.418 547 HA SER 69 HA SER 69 -0.645 -0.674 -12.637 548 HB2 SER 69 2HB SER 69 1.041 -1.917 -14.807 549 HB3 SER 69 1HB SER 69 0.098 -0.429 -14.931 550 HG SER 69 HG SER 69 1.425 0.504 -13.375 551 H ALA 70 H ALA 70 -0.777 -4.013 -12.699 552 HA ALA 70 HA ALA 70 -2.983 -3.982 -14.573 553 HB1 ALA 70 1HB ALA 70 -2.829 -6.424 -14.662 554 HB2 ALA 70 2HB ALA 70 -1.584 -6.397 -13.413 555 HB3 ALA 70 3HB ALA 70 -1.258 -5.695 -14.998 556 H TYR 71 H TYR 71 -2.590 -3.425 -11.535 557 HA TYR 71 HA TYR 71 -4.896 -4.855 -10.487 558 HB2 TYR 71 2HB TYR 71 -3.031 -2.775 -9.375 559 HB3 TYR 71 1HB TYR 71 -4.480 -3.252 -8.531 560 HD1 TYR 71 2HD TYR 71 -1.375 -4.778 -9.994 561 HD2 TYR 71 1HD TYR 71 -4.338 -4.926 -6.948 562 HE1 TYR 71 2HE TYR 71 -0.144 -6.606 -8.889 563 HE2 TYR 71 1HE TYR 71 -3.115 -6.743 -5.838 564 HH TYR 71 HH TYR 71 0.055 -7.594 -6.660 565 H SER 72 H SER 72 -6.892 -3.879 -10.335 566 HA SER 72 HA SER 72 -7.283 -1.312 -11.512 567 HB2 SER 72 2HB SER 72 -9.147 -2.980 -11.340 568 HB3 SER 72 1HB SER 72 -9.091 -2.832 -9.585 569 HG SER 72 HG SER 72 -10.545 -1.463 -11.168 570 H ARG 73 H ARG 73 -7.653 0.659 -10.336 571 HA ARG 73 HA ARG 73 -5.726 1.085 -8.362 572 HB2 ARG 73 2HB ARG 73 -6.867 2.875 -9.809 573 HB3 ARG 73 1HB ARG 73 -8.131 2.886 -8.580 574 HG2 ARG 73 2HG ARG 73 -6.335 3.301 -6.879 575 HG3 ARG 73 1HG ARG 73 -5.224 3.548 -8.218 576 HD2 ARG 73 2HD ARG 73 -6.775 5.357 -9.029 577 HD3 ARG 73 1HD ARG 73 -7.657 5.179 -7.509 578 HE ARG 73 HE ARG 73 -5.241 6.579 -7.912 579 HH11 ARG 73 1HH1 ARG 73 -6.875 4.592 -5.362 580 HH12 ARG 73 2HH1 ARG 73 -5.862 5.183 -4.152 581 HH21 ARG 73 1HH2 ARG 73 -3.939 7.365 -6.187 582 HH22 ARG 73 2HH2 ARG 73 -4.141 6.760 -4.606 583 H HIS 74 H HIS 74 -9.170 0.514 -8.009 584 HA HIS 74 HA HIS 74 -9.039 0.920 -5.175 585 HB2 HIS 74 2HB HIS 74 -11.307 -0.150 -6.861 586 HB3 HIS 74 1HB HIS 74 -11.405 0.086 -5.121 587 HD1 HIS 74 1HD HIS 74 -10.525 2.842 -4.553 588 HD2 HIS 74 2HD HIS 74 -12.422 1.935 -8.155 589 HE1 HIS 74 1HE HIS 74 -11.488 4.977 -5.349 590 HE2 HIS 74 2HE HIS 74 -12.734 4.417 -7.457 591 H ASN 75 H ASN 75 -8.494 -1.700 -7.259 592 HA ASN 75 HA ASN 75 -8.943 -3.755 -5.326 593 HB2 ASN 75 2HB ASN 75 -7.416 -3.745 -7.947 594 HB3 ASN 75 1HB ASN 75 -7.530 -5.169 -6.925 595 HD21 ASN 75 1HD2 ASN 75 -8.561 -6.295 -8.583 596 HD22 ASN 75 2HD2 ASN 75 -10.220 -6.017 -8.970 597 H ALA 76 H ALA 76 -6.169 -1.981 -6.553 598 HA ALA 76 HA ALA 76 -4.249 -3.139 -4.860 599 HB1 ALA 76 1HB ALA 76 -4.417 -0.391 -6.063 600 HB2 ALA 76 2HB ALA 76 -3.570 -1.788 -6.735 601 HB3 ALA 76 3HB ALA 76 -2.984 -1.019 -5.253 602 H GLU 77 H GLU 77 -6.484 -0.460 -4.410 603 HA GLU 77 HA GLU 77 -5.707 0.362 -1.849 604 HB2 GLU 77 2HB GLU 77 -8.411 0.370 -3.201 605 HB3 GLU 77 1HB GLU 77 -8.108 1.146 -1.655 606 HG2 GLU 77 2HG GLU 77 -6.669 2.749 -2.622 607 HG3 GLU 77 1HG GLU 77 -6.528 1.816 -4.111 608 H ARG 78 H ARG 78 -7.533 -2.441 -2.902 609 HA ARG 78 HA ARG 78 -8.630 -2.976 -0.277 610 HB2 ARG 78 2HB ARG 78 -8.645 -4.634 -2.801 611 HB3 ARG 78 1HB ARG 78 -9.426 -5.110 -1.305 612 HG2 ARG 78 2HG ARG 78 -10.117 -2.700 -2.970 613 HG3 ARG 78 1HG ARG 78 -11.009 -4.221 -2.932 614 HD2 ARG 78 2HD ARG 78 -11.443 -3.867 -0.530 615 HD3 ARG 78 1HD ARG 78 -10.607 -2.317 -0.626 616 HE ARG 78 HE ARG 78 -12.452 -2.169 -2.566 617 HH11 ARG 78 1HH1 ARG 78 -12.628 -2.840 0.891 618 HH12 ARG 78 2HH1 ARG 78 -14.187 -2.201 1.133 619 HH21 ARG 78 1HH2 ARG 78 -14.650 -1.271 -2.284 620 HH22 ARG 78 2HH2 ARG 78 -15.375 -1.269 -0.750 621 H LEU 79 H LEU 79 -5.927 -3.779 -2.208 622 HA LEU 79 HA LEU 79 -4.981 -6.090 -0.996 623 HB2 LEU 79 2HB LEU 79 -4.051 -5.082 -3.017 624 HB3 LEU 79 1HB LEU 79 -3.472 -3.724 -2.074 625 HG LEU 79 HG LEU 79 -2.190 -5.515 -0.728 626 HD11 LEU 79 1HD1 LEU 79 -2.685 -6.815 -3.302 627 HD12 LEU 79 2HD1 LEU 79 -3.388 -7.279 -1.751 628 HD13 LEU 79 3HD1 LEU 79 -1.602 -7.447 -2.029 629 HD21 LEU 79 3HD2 LEU 79 -1.477 -4.892 -3.519 630 HD22 LEU 79 1HD2 LEU 79 -0.399 -5.431 -2.215 631 HD23 LEU 79 2HD2 LEU 79 -1.224 -3.846 -2.071 632 H PHE 80 H PHE 80 -4.016 -2.737 -0.494 633 HA PHE 80 HA PHE 80 -2.481 -3.186 1.820 634 HB2 PHE 80 2HB PHE 80 -3.846 -0.710 0.793 635 HB3 PHE 80 1HB PHE 80 -2.689 -0.679 2.136 636 HD1 PHE 80 1HD PHE 80 -0.298 -1.467 1.606 637 HD2 PHE 80 2HD PHE 80 -3.156 -0.578 -1.403 638 HE1 PHE 80 1HE PHE 80 1.515 -1.224 -0.040 639 HE2 PHE 80 2HE PHE 80 -1.354 -0.336 -3.053 640 HZ PHE 80 HZ PHE 80 0.974 -0.655 -2.386 641 H LYS 81 H LYS 81 -5.865 -2.691 1.356 642 HA LYS 81 HA LYS 81 -6.489 -2.186 4.066 643 HB2 LYS 81 2HB LYS 81 -8.174 -3.165 1.793 644 HB3 LYS 81 1HB LYS 81 -8.817 -2.999 3.416 645 HG2 LYS 81 2HG LYS 81 -7.434 -0.668 2.183 646 HG3 LYS 81 1HG LYS 81 -9.045 -1.093 1.634 647 HD2 LYS 81 2HD LYS 81 -9.184 0.621 3.356 648 HD3 LYS 81 1HD LYS 81 -9.878 -0.876 3.952 649 HE2 LYS 81 2HE LYS 81 -8.554 0.269 5.656 650 HE3 LYS 81 1HE LYS 81 -7.863 -1.296 5.264 651 HZ1 LYS 81 3HZ LYS 81 -6.878 1.294 4.159 652 HZ2 LYS 81 1HZ LYS 81 -6.107 -0.191 4.019 653 HZ3 LYS 81 2HZ LYS 81 -6.263 0.595 5.511 654 H LYS 82 H LYS 82 -5.831 -5.156 2.244 655 HA LYS 82 HA LYS 82 -7.038 -6.657 4.394 656 HB2 LYS 82 2HB LYS 82 -6.949 -7.493 1.921 657 HB3 LYS 82 1HB LYS 82 -5.286 -7.948 2.300 658 HG2 LYS 82 2HG LYS 82 -6.068 -9.318 4.168 659 HG3 LYS 82 1HG LYS 82 -7.732 -8.877 3.811 660 HD2 LYS 82 2HD LYS 82 -7.547 -10.969 2.826 661 HD3 LYS 82 1HD LYS 82 -7.221 -9.896 1.469 662 HE2 LYS 82 2HE LYS 82 -5.631 -11.701 1.452 663 HE3 LYS 82 1HE LYS 82 -4.792 -10.210 1.870 664 HZ1 LYS 82 3HZ LYS 82 -4.656 -10.859 4.130 665 HZ2 LYS 82 1HZ LYS 82 -4.204 -12.200 3.246 666 HZ3 LYS 82 2HZ LYS 82 -5.732 -12.124 3.953 667 H LEU 83 H LEU 83 -3.925 -5.649 3.264 668 HA LEU 83 HA LEU 83 -2.384 -7.083 5.103 669 HB2 LEU 83 2HB LEU 83 -1.819 -4.394 3.867 670 HB3 LEU 83 1HB LEU 83 -0.796 -5.147 5.071 671 HG LEU 83 HG LEU 83 -0.366 -7.018 3.506 672 HD11 LEU 83 1HD1 LEU 83 -0.915 -6.781 1.188 673 HD12 LEU 83 2HD1 LEU 83 -1.786 -5.291 1.601 674 HD13 LEU 83 3HD1 LEU 83 -2.383 -6.850 2.197 675 HD21 LEU 83 3HD2 LEU 83 1.202 -5.187 3.644 676 HD22 LEU 83 1HD2 LEU 83 0.256 -4.286 2.456 677 HD23 LEU 83 2HD2 LEU 83 1.072 -5.777 1.983 678 H ILE 84 H ILE 84 -4.328 -4.181 5.627 679 HA ILE 84 HA ILE 84 -3.128 -3.843 8.217 680 HB ILE 84 HB ILE 84 -4.630 -1.995 8.603 681 HG12 ILE 84 2HG1 ILE 84 -6.100 -1.242 6.565 682 HG13 ILE 84 1HG1 ILE 84 -6.078 -2.948 6.149 683 HG21 ILE 84 1HG2 ILE 84 -4.037 -0.569 6.669 684 HG22 ILE 84 2HG2 ILE 84 -3.407 -2.016 5.879 685 HG23 ILE 84 3HG2 ILE 84 -2.702 -1.455 7.399 686 HD11 ILE 84 3HD1 ILE 84 -8.106 -2.357 7.353 687 HD12 ILE 84 1HD1 ILE 84 -7.147 -1.753 8.706 688 HD13 ILE 84 2HD1 ILE 84 -7.126 -3.472 8.307 689 H LEU 85 H LEU 85 -5.808 -5.552 6.908 690 HA LEU 85 HA LEU 85 -7.103 -6.079 9.370 691 HB2 LEU 85 2HB LEU 85 -7.902 -6.248 6.892 692 HB3 LEU 85 1HB LEU 85 -7.113 -7.807 6.907 693 HG LEU 85 HG LEU 85 -9.280 -6.979 8.770 694 HD11 LEU 85 1HD1 LEU 85 -9.446 -8.612 6.220 695 HD12 LEU 85 2HD1 LEU 85 -10.133 -7.009 6.484 696 HD13 LEU 85 3HD1 LEU 85 -10.779 -8.400 7.354 697 HD21 LEU 85 3HD2 LEU 85 -9.560 -9.410 9.193 698 HD22 LEU 85 1HD2 LEU 85 -7.959 -8.826 9.648 699 HD23 LEU 85 2HD2 LEU 85 -8.174 -9.728 8.148 700 H ASP 86 H ASP 86 -4.826 -7.827 7.246 701 HA ASP 86 HA ASP 86 -4.389 -10.076 8.926 702 HB2 ASP 86 2HB ASP 86 -2.510 -8.878 6.850 703 HB3 ASP 86 1HB ASP 86 -2.338 -10.470 7.565 704 H LYS 87 H LYS 87 -2.850 -6.936 8.504 705 HA LYS 87 HA LYS 87 -1.912 -5.604 9.845 706 HB2 LYS 87 2HB LYS 87 -2.071 -7.738 11.863 707 HB3 LYS 87 1HB LYS 87 -1.199 -6.232 12.170 708 HG2 LYS 87 2HG LYS 87 -3.143 -4.960 11.470 709 HG3 LYS 87 1HG LYS 87 -4.100 -6.440 11.339 710 HD2 LYS 87 2HD LYS 87 -3.861 -6.717 13.774 711 HD3 LYS 87 1HD LYS 87 -2.873 -5.242 13.816 712 HE2 LYS 87 2HE LYS 87 -5.760 -5.455 13.000 713 HE3 LYS 87 1HE LYS 87 -5.101 -4.615 14.404 714 HZ1 LYS 87 3HZ LYS 87 -5.495 -2.949 12.718 715 HZ2 LYS 87 1HZ LYS 87 -4.704 -3.893 11.546 716 HZ3 LYS 87 2HZ LYS 87 -3.827 -3.213 12.789 717 H ILE 88 H ILE 88 -0.720 -7.308 8.055 718 HA ILE 88 HA ILE 88 2.040 -7.242 8.698 719 HB ILE 88 HB ILE 88 0.381 -7.149 6.233 720 HG12 ILE 88 2HG1 ILE 88 1.764 -9.243 5.616 721 HG13 ILE 88 1HG1 ILE 88 2.399 -9.121 7.252 722 HG21 ILE 88 1HG2 ILE 88 2.194 -5.658 5.642 723 HG22 ILE 88 2HG2 ILE 88 2.515 -7.185 4.807 724 HG23 ILE 88 3HG2 ILE 88 3.382 -6.775 6.296 725 HD11 ILE 88 3HD1 ILE 88 0.156 -9.415 8.145 726 HD12 ILE 88 1HD1 ILE 88 0.636 -10.762 7.108 727 HD13 ILE 88 2HD1 ILE 88 -0.471 -9.534 6.500 728 H LEU 89 H LEU 89 -0.463 -5.051 7.708 729 HA LEU 89 HA LEU 89 1.298 -2.737 8.078 730 HB2 LEU 89 2HB LEU 89 -1.312 -3.005 6.635 731 HB3 LEU 89 1HB LEU 89 -0.488 -1.500 6.945 732 HG LEU 89 HG LEU 89 0.307 -3.674 5.007 733 HD11 LEU 89 1HD1 LEU 89 0.046 -1.869 3.469 734 HD12 LEU 89 2HD1 LEU 89 -0.503 -0.831 4.820 735 HD13 LEU 89 3HD1 LEU 89 -1.420 -2.267 4.382 736 HD21 LEU 89 3HD2 LEU 89 2.256 -2.881 6.232 737 HD22 LEU 89 1HD2 LEU 89 1.794 -1.211 5.904 738 HD23 LEU 89 2HD2 LEU 89 2.261 -2.281 4.559 739 H ASP 90 H ASP 90 0.421 -1.091 9.313 740 HA ASP 90 HA ASP 90 -2.126 -1.528 10.590 741 HB2 ASP 90 2HB ASP 90 0.485 -1.398 11.988 742 HB3 ASP 90 1HB ASP 90 -0.790 -0.436 12.702 743 H GLU 91 H GLU 91 -3.260 0.151 10.162 744 HA GLU 91 HA GLU 91 -1.976 2.671 9.480 745 HB2 GLU 91 2HB GLU 91 -4.816 1.718 9.220 746 HB3 GLU 91 1HB GLU 91 -4.303 3.355 8.846 747 HG2 GLU 91 2HG GLU 91 -2.939 2.629 7.100 748 HG3 GLU 91 1HG GLU 91 -3.109 0.931 7.552 749 H ASP 92 H ASP 92 -2.337 4.547 10.426 750 HA ASP 92 HA ASP 92 -3.711 4.558 13.010 751 HB2 ASP 92 2HB ASP 92 -2.250 6.454 13.623 752 HB3 ASP 92 1HB ASP 92 -1.314 5.004 13.257 753 H LEU 93 H LEU 93 -4.680 6.766 13.536 754 HA LEU 93 HA LEU 93 -6.078 7.617 11.083 755 HB2 LEU 93 2HB LEU 93 -7.231 7.265 13.837 756 HB3 LEU 93 1HB LEU 93 -8.095 7.882 12.448 757 HG LEU 93 HG LEU 93 -6.987 5.083 12.707 758 HD11 LEU 93 1HD1 LEU 93 -9.327 4.411 12.912 759 HD12 LEU 93 2HD1 LEU 93 -9.816 6.105 12.903 760 HD13 LEU 93 3HD1 LEU 93 -8.842 5.475 14.232 761 HD21 LEU 93 3HD2 LEU 93 -7.070 5.827 10.390 762 HD22 LEU 93 1HD2 LEU 93 -8.747 6.336 10.598 763 HD23 LEU 93 2HD2 LEU 93 -8.322 4.627 10.702 764 H TYR 94 H TYR 94 -6.625 9.722 10.814 765 HA TYR 94 HA TYR 94 -6.225 11.676 12.931 766 HB2 TYR 94 2HB TYR 94 -5.354 12.016 10.048 767 HB3 TYR 94 1HB TYR 94 -5.313 13.239 11.296 768 HD1 TYR 94 1HD TYR 94 -3.628 13.083 13.082 769 HD2 TYR 94 2HD TYR 94 -3.731 10.488 9.757 770 HE1 TYR 94 1HE TYR 94 -1.265 12.529 13.499 771 HE2 TYR 94 2HE TYR 94 -1.334 9.893 10.151 772 HH TYR 94 HH TYR 94 0.228 10.611 12.996 773 H ILE 95 H ILE 95 -7.582 13.569 12.335 774 HA ILE 95 HA ILE 95 -9.228 13.071 10.048 775 HB ILE 95 HB ILE 95 -10.429 12.495 12.184 776 HG12 ILE 95 2HG1 ILE 95 -11.511 14.939 10.834 777 HG13 ILE 95 1HG1 ILE 95 -11.584 13.315 10.156 778 HG21 ILE 95 1HG2 ILE 95 -11.059 14.237 13.695 779 HG22 ILE 95 2HG2 ILE 95 -10.239 15.411 12.675 780 HG23 ILE 95 3HG2 ILE 95 -9.273 14.161 13.545 781 HD11 ILE 95 3HD1 ILE 95 -12.839 12.577 12.059 782 HD12 ILE 95 1HD1 ILE 95 -13.629 13.915 11.192 783 HD13 ILE 95 2HD1 ILE 95 -12.764 14.226 12.724 784 H ASN 96 H ASN 96 -9.771 15.020 8.983 785 HA ASN 96 HA ASN 96 -7.894 17.148 9.659 786 HB2 ASN 96 2HB ASN 96 -8.370 18.087 7.347 787 HB3 ASN 96 1HB ASN 96 -7.856 16.422 7.329 788 HD21 ASN 96 1HD2 ASN 96 -8.703 16.691 5.293 789 HD22 ASN 96 2HD2 ASN 96 -10.380 16.342 4.962 790 H ALA 97 H ALA 97 -9.032 19.401 8.727 791 HA ALA 97 HA ALA 97 -10.795 20.088 10.874 792 HB1 ALA 97 1HB ALA 97 -9.838 21.702 8.523 793 HB2 ALA 97 2HB ALA 97 -9.032 21.585 10.086 794 HB3 ALA 97 3HB ALA 97 -10.621 22.351 9.966 795 H ASN 98 H ASN 98 -11.515 18.480 8.196 796 HA ASN 98 HA ASN 98 -14.024 19.891 7.576 797 HB2 ASN 98 2HB ASN 98 -12.532 17.722 6.132 798 HB3 ASN 98 1HB ASN 98 -14.060 18.409 5.594 799 HD21 ASN 98 1HD2 ASN 98 -14.003 20.425 4.653 800 HD22 ASN 98 2HD2 ASN 98 -12.492 21.140 4.177 801 H ASP 99 H ASP 99 -12.870 17.668 9.619 802 HA ASP 99 HA ASP 99 -13.599 15.910 10.783 803 HB2 ASP 99 2HB ASP 99 -15.738 17.299 10.943 804 HB3 ASP 99 1HB ASP 99 -16.351 16.429 9.546 805 H GLN 100 H GLN 100 -12.586 15.709 8.119 806 HA GLN 100 HA GLN 100 -13.755 13.183 7.201 807 HB2 GLN 100 2HB GLN 100 -11.715 14.962 5.844 808 HB3 GLN 100 1HB GLN 100 -12.365 13.471 5.182 809 HG2 GLN 100 2HG GLN 100 -14.584 14.466 5.085 810 HG3 GLN 100 1HG GLN 100 -13.960 15.952 5.795 811 HE21 GLN 100 1HE2 GLN 100 -12.209 14.061 3.417 812 HE22 GLN 100 2HE2 GLN 100 -12.353 15.233 2.149 813 H ALA 101 H ALA 101 -12.917 11.549 8.174 814 HA ALA 101 HA ALA 101 -10.398 11.533 9.469 815 HB1 ALA 101 1HB ALA 101 -12.194 9.210 8.795 816 HB2 ALA 101 2HB ALA 101 -12.292 10.195 10.255 817 HB3 ALA 101 3HB ALA 101 -10.866 9.199 9.956 818 H ILE 102 H ILE 102 -8.518 10.645 8.921 819 HA ILE 102 HA ILE 102 -8.225 9.260 6.370 820 HB ILE 102 HB ILE 102 -7.641 11.691 5.980 821 HG12 ILE 102 2HG1 ILE 102 -5.394 11.285 4.978 822 HG13 ILE 102 1HG1 ILE 102 -5.358 9.724 5.787 823 HG21 ILE 102 1HG2 ILE 102 -5.575 12.535 6.908 824 HG22 ILE 102 2HG2 ILE 102 -5.475 11.079 7.910 825 HG23 ILE 102 3HG2 ILE 102 -6.796 12.244 8.171 826 HD11 ILE 102 3HD1 ILE 102 -5.986 9.537 3.450 827 HD12 ILE 102 1HD1 ILE 102 -7.363 10.600 3.740 828 HD13 ILE 102 2HD1 ILE 102 -7.295 9.012 4.514 829 H ALA 103 H ALA 103 -6.671 7.789 6.264 830 HA ALA 103 HA ALA 103 -5.502 7.101 8.852 831 HB1 ALA 103 1HB ALA 103 -5.735 4.763 8.203 832 HB2 ALA 103 2HB ALA 103 -6.481 5.257 6.676 833 HB3 ALA 103 3HB ALA 103 -7.292 5.595 8.211 834 H TYR 104 H TYR 104 -3.398 6.742 8.883 835 HA TYR 104 HA TYR 104 -2.003 6.875 6.321 836 HB2 TYR 104 2HB TYR 104 -1.202 7.832 9.054 837 HB3 TYR 104 1HB TYR 104 -0.021 7.551 7.785 838 HD1 TYR 104 2HD TYR 104 -3.319 9.306 8.073 839 HD2 TYR 104 1HD TYR 104 0.696 9.435 6.726 840 HE1 TYR 104 2HE TYR 104 -3.681 11.584 7.246 841 HE2 TYR 104 1HE TYR 104 0.348 11.717 5.878 842 HH TYR 104 HH TYR 104 -1.434 13.172 5.194 843 H VAL 105 H VAL 105 -0.099 5.563 6.126 844 HA VAL 105 HA VAL 105 -0.640 3.056 7.424 845 HB VAL 105 HB VAL 105 0.614 3.736 4.755 846 HG11 VAL 105 1HG1 VAL 105 1.020 1.335 4.416 847 HG12 VAL 105 2HG1 VAL 105 0.491 0.997 6.065 848 HG13 VAL 105 3HG1 VAL 105 1.979 1.899 5.786 849 HG21 VAL 105 3HG2 VAL 105 -1.736 3.674 4.947 850 HG22 VAL 105 1HG2 VAL 105 -1.612 2.072 5.702 851 HG23 VAL 105 2HG2 VAL 105 -1.144 2.299 3.985 852 H MET 106 H MET 106 0.640 1.984 8.471 853 HA MET 106 HA MET 106 3.485 2.637 8.790 854 HB2 MET 106 2HB MET 106 1.483 2.073 10.995 855 HB3 MET 106 1HB MET 106 3.205 1.861 11.218 856 HG2 MET 106 2HG MET 106 1.842 4.455 10.546 857 HG3 MET 106 1HG MET 106 2.341 3.953 12.159 858 HE1 MET 106 3HE MET 106 3.299 6.703 11.343 859 HE2 MET 106 1HE MET 106 5.034 6.641 11.654 860 HE3 MET 106 2HE MET 106 3.909 5.874 12.776 861 H LEU 107 H LEU 107 4.382 0.608 10.147 862 HA LEU 107 HA LEU 107 3.547 -1.696 8.591 863 HB2 LEU 107 2HB LEU 107 6.024 -1.195 10.257 864 HB3 LEU 107 1HB LEU 107 5.621 -2.769 9.610 865 HG LEU 107 HG LEU 107 5.751 -1.767 7.306 866 HD11 LEU 107 1HD1 LEU 107 5.429 0.559 7.870 867 HD12 LEU 107 2HD1 LEU 107 6.945 0.328 6.996 868 HD13 LEU 107 3HD1 LEU 107 6.958 0.581 8.747 869 HD21 LEU 107 3HD2 LEU 107 7.552 -3.093 8.231 870 HD22 LEU 107 1HD2 LEU 107 8.235 -1.662 9.004 871 HD23 LEU 107 2HD2 LEU 107 8.197 -1.779 7.242 872 H GLY 108 H GLY 108 2.929 -3.595 9.593 873 HA2 GLY 108 2HA GLY 108 1.672 -2.953 12.118 874 HA3 GLY 108 1HA GLY 108 1.188 -4.218 11.004 875 H ASN 109 H ASN 109 1.069 -5.037 13.181 876 HA ASN 109 HA ASN 109 3.455 -5.859 14.538 877 HB2 ASN 109 2HB ASN 109 1.956 -7.280 15.950 878 HB3 ASN 109 1HB ASN 109 1.484 -5.590 15.875 879 HD21 ASN 109 1HD2 ASN 109 -0.370 -5.013 14.632 880 HD22 ASN 109 2HD2 ASN 109 -1.560 -6.177 14.285 881 H LYS 110 H LYS 110 1.971 -7.078 11.792 882 HA LYS 110 HA LYS 110 3.196 -9.723 12.172 883 HB2 LYS 110 2HB LYS 110 1.391 -8.772 9.950 884 HB3 LYS 110 1HB LYS 110 1.944 -10.406 10.168 885 HG2 LYS 110 2HG LYS 110 0.045 -8.885 11.892 886 HG3 LYS 110 1HG LYS 110 -0.331 -10.209 10.804 887 HD2 LYS 110 2HD LYS 110 1.141 -11.653 12.235 888 HD3 LYS 110 1HD LYS 110 1.201 -10.305 13.383 889 HE2 LYS 110 2HE LYS 110 -1.208 -11.822 12.439 890 HE3 LYS 110 1HE LYS 110 -0.584 -11.718 14.091 891 HZ1 LYS 110 3HZ LYS 110 -2.467 -10.263 13.894 892 HZ2 LYS 110 1HZ LYS 110 -1.825 -9.570 12.482 893 HZ3 LYS 110 2HZ LYS 110 -1.066 -9.294 13.967 894 H ALA 111 H ALA 111 4.434 -6.957 11.430 895 HA ALA 111 HA ALA 111 5.338 -7.328 8.693 896 HB1 ALA 111 1HB ALA 111 6.293 -5.375 10.805 897 HB2 ALA 111 2HB ALA 111 5.068 -5.045 9.580 898 HB3 ALA 111 3HB ALA 111 6.740 -5.333 9.099 899 H GLN 112 H GLN 112 6.283 -7.875 11.836 900 HA GLN 112 HA GLN 112 8.931 -8.701 11.515 901 HB2 GLN 112 2HB GLN 112 8.126 -8.125 13.656 902 HB3 GLN 112 1HB GLN 112 6.737 -9.178 13.502 903 HG2 GLN 112 2HG GLN 112 8.212 -10.042 15.060 904 HG3 GLN 112 1HG GLN 112 8.154 -11.063 13.614 905 HE21 GLN 112 1HE2 GLN 112 10.031 -11.269 12.329 906 HE22 GLN 112 2HE2 GLN 112 11.579 -10.707 12.856 907 H THR 113 H THR 113 5.800 -10.387 11.361 908 HA THR 113 HA THR 113 6.737 -12.984 10.977 909 HB THR 113 HB THR 113 4.197 -11.774 9.859 910 HG1 THR 113 1HG THR 113 4.353 -12.820 12.465 911 HG21 THR 113 3HG2 THR 113 4.633 -14.149 9.344 912 HG22 THR 113 1HG2 THR 113 3.258 -13.972 10.435 913 HG23 THR 113 2HG2 THR 113 4.822 -14.482 11.068 914 H VAL 114 H VAL 114 6.182 -10.241 8.868 915 HA VAL 114 HA VAL 114 6.443 -11.511 6.369 916 HB VAL 114 HB VAL 114 7.189 -8.673 7.067 917 HG11 VAL 114 1HG1 VAL 114 8.015 -9.246 4.885 918 HG12 VAL 114 2HG1 VAL 114 6.566 -8.247 4.647 919 HG13 VAL 114 3HG1 VAL 114 6.482 -9.993 4.460 920 HG21 VAL 114 3HG2 VAL 114 4.976 -8.002 6.431 921 HG22 VAL 114 1HG2 VAL 114 4.893 -9.162 7.743 922 HG23 VAL 114 2HG2 VAL 114 4.496 -9.657 6.096 923 H LEU 115 H LEU 115 8.759 -9.847 8.432 924 HA LEU 115 HA LEU 115 11.043 -10.111 6.805 925 HB2 LEU 115 2HB LEU 115 10.929 -10.042 9.815 926 HB3 LEU 115 1HB LEU 115 12.318 -9.651 8.818 927 HG LEU 115 HG LEU 115 9.736 -8.157 8.874 928 HD11 LEU 115 1HD1 LEU 115 12.434 -7.462 10.071 929 HD12 LEU 115 2HD1 LEU 115 10.977 -7.884 10.968 930 HD13 LEU 115 3HD1 LEU 115 11.037 -6.385 10.040 931 HD21 LEU 115 3HD2 LEU 115 12.341 -7.526 7.480 932 HD22 LEU 115 1HD2 LEU 115 10.967 -6.425 7.593 933 HD23 LEU 115 2HD2 LEU 115 10.805 -7.944 6.718 934 H ASN 116 H ASN 116 9.636 -12.174 9.234 935 HA ASN 116 HA ASN 116 11.701 -14.151 9.258 936 HB2 ASN 116 2HB ASN 116 9.945 -13.686 11.056 937 HB3 ASN 116 1HB ASN 116 8.783 -14.492 10.022 938 HD21 ASN 116 1HD2 ASN 116 10.790 -16.630 9.244 939 HD22 ASN 116 2HD2 ASN 116 10.912 -17.599 10.670 940 H GLY 117 H GLY 117 9.067 -13.398 7.229 941 HA2 GLY 117 2HA GLY 117 8.682 -14.222 5.064 942 HA3 GLY 117 1HA GLY 117 9.782 -15.547 5.403 943 H ASN 118 H ASN 118 7.456 -15.044 7.778 944 HA ASN 118 HA ASN 118 6.141 -17.552 7.011 945 HB2 ASN 118 2HB ASN 118 7.217 -17.272 9.270 946 HB3 ASN 118 1HB ASN 118 6.043 -16.020 9.632 947 HD21 ASN 118 1HD2 ASN 118 5.319 -19.038 7.906 948 HD22 ASN 118 2HD2 ASN 118 4.311 -19.665 9.164 949 H LEU 119 H LEU 119 5.464 -15.289 5.530 950 HA LEU 119 HA LEU 119 2.790 -14.744 6.475 951 HB2 LEU 119 2HB LEU 119 2.864 -12.416 6.008 952 HB3 LEU 119 1HB LEU 119 4.376 -12.741 6.810 953 HG LEU 119 HG LEU 119 4.972 -11.242 5.192 954 HD11 LEU 119 1HD1 LEU 119 6.268 -12.430 3.467 955 HD12 LEU 119 2HD1 LEU 119 5.354 -13.867 4.037 956 HD13 LEU 119 3HD1 LEU 119 6.472 -13.073 5.133 957 HD21 LEU 119 3HD2 LEU 119 4.251 -11.255 2.834 958 HD22 LEU 119 1HD2 LEU 119 2.889 -11.109 3.945 959 HD23 LEU 119 2HD2 LEU 119 3.231 -12.654 3.168 960 H LYS 120 H LYS 120 1.552 -15.430 5.166 961 HA LYS 120 HA LYS 120 2.128 -15.030 2.412 962 HB2 LYS 120 2HB LYS 120 1.096 -17.061 1.643 963 HB3 LYS 120 1HB LYS 120 2.615 -17.292 2.483 964 HG2 LYS 120 2HG LYS 120 1.601 -18.148 4.373 965 HG3 LYS 120 1HG LYS 120 -0.015 -17.610 3.906 966 HD2 LYS 120 2HD LYS 120 1.608 -19.870 2.705 967 HD3 LYS 120 1HD LYS 120 0.039 -19.984 3.499 968 HE2 LYS 120 2HE LYS 120 0.645 -18.778 0.776 969 HE3 LYS 120 1HE LYS 120 -0.316 -20.192 1.136 970 HZ1 LYS 120 3HZ LYS 120 -1.093 -17.413 1.923 971 HZ2 LYS 120 1HZ LYS 120 -2.060 -18.804 2.067 972 HZ3 LYS 120 2HZ LYS 120 -1.595 -18.203 0.546 973 H VAL 121 H VAL 121 0.900 -13.324 2.263 974 HA VAL 121 HA VAL 121 -1.944 -13.727 2.728 975 HB VAL 121 HB VAL 121 -2.316 -11.398 2.400 976 HG11 VAL 121 1HG1 VAL 121 0.142 -11.751 4.073 977 HG12 VAL 121 2HG1 VAL 121 -1.545 -11.944 4.570 978 HG13 VAL 121 3HG1 VAL 121 -0.937 -10.351 4.108 979 HG21 VAL 121 3HG2 VAL 121 -0.604 -9.814 1.691 980 HG22 VAL 121 1HG2 VAL 121 -0.895 -11.131 0.544 981 HG23 VAL 121 2HG2 VAL 121 0.554 -11.168 1.560 982 H ASP 122 H ASP 122 -3.330 -12.722 0.941 983 HA ASP 122 HA ASP 122 -2.251 -13.394 -1.652 984 HB2 ASP 122 2HB ASP 122 -4.037 -14.911 -2.078 985 HB3 ASP 122 1HB ASP 122 -3.206 -15.348 -0.579 986 H PHE 123 H PHE 123 -3.469 -12.445 -3.335 987 HA PHE 123 HA PHE 123 -5.844 -11.092 -2.689 988 HB2 PHE 123 2HB PHE 123 -4.191 -9.358 -1.938 989 HB3 PHE 123 1HB PHE 123 -3.572 -9.244 -3.565 990 HD1 PHE 123 1HD PHE 123 -6.684 -8.940 -1.595 991 HD2 PHE 123 2HD PHE 123 -4.562 -7.861 -5.105 992 HE1 PHE 123 1HE PHE 123 -8.475 -7.369 -2.183 993 HE2 PHE 123 2HE PHE 123 -6.331 -6.289 -5.701 994 HZ PHE 123 HZ PHE 123 -8.300 -6.044 -4.248 995 H MET 124 H MET 124 -7.117 -10.626 -4.479 996 HA MET 124 HA MET 124 -6.099 -11.696 -6.956 997 HB2 MET 124 2HB MET 124 -8.437 -11.742 -7.732 998 HB3 MET 124 1HB MET 124 -8.271 -12.585 -6.211 999 HG2 MET 124 2HG MET 124 -9.413 -9.818 -6.589 1000 HG3 MET 124 1HG MET 124 -10.342 -11.292 -6.342 1001 HE1 MET 124 3HE MET 124 -11.673 -10.140 -4.366 1002 HE2 MET 124 1HE MET 124 -10.762 -8.654 -4.635 1003 HE3 MET 124 2HE MET 124 -10.906 -9.320 -3.007 1004 H GLU 125 H GLU 125 -4.904 -10.287 -7.863 1005 HA GLU 125 HA GLU 125 -4.806 -7.567 -7.977 1006 HB2 GLU 125 2HB GLU 125 -3.114 -8.918 -8.919 1007 HB3 GLU 125 1HB GLU 125 -4.238 -9.713 -9.994 1008 HG2 GLU 125 2HG GLU 125 -4.441 -7.574 -11.237 1009 HG3 GLU 125 1HG GLU 125 -3.167 -6.918 -10.199 1010 H THR 126 H THR 126 -6.107 -9.426 -10.626 1011 HA THR 126 HA THR 126 -8.602 -8.074 -10.691 1012 HB THR 126 HB THR 126 -6.721 -8.112 -13.113 1013 HG1 THR 126 1HG THR 126 -6.139 -6.182 -12.428 1014 HG21 THR 126 3HG2 THR 126 -9.530 -7.010 -12.833 1015 HG22 THR 126 1HG2 THR 126 -9.083 -8.468 -13.718 1016 HG23 THR 126 2HG2 THR 126 -8.521 -6.892 -14.274 1017 H GLU 127 H GLU 127 -9.489 -9.981 -10.176 1018 HA GLU 127 HA GLU 127 -9.989 -12.071 -10.032 1019 HB2 GLU 127 2HB GLU 127 -9.482 -12.143 -13.020 1020 HB3 GLU 127 1HB GLU 127 -10.432 -13.311 -12.109 1021 HG2 GLU 127 2HG GLU 127 -11.077 -10.423 -12.651 1022 HG3 GLU 127 1HG GLU 127 -11.983 -11.852 -13.148 Start of MODEL 9 1 H1 CYS 1 1HT CYS 1 -2.218 -27.949 3.933 2 H2 CYS 1 2HT CYS 1 -2.098 -26.385 4.533 3 H3 CYS 1 3HT CYS 1 -1.945 -26.682 2.836 4 HA CYS 1 HA CYS 1 -4.118 -25.786 3.404 5 HB2 CYS 1 2HB CYS 1 -4.185 -28.725 2.662 6 HB3 CYS 1 1HB CYS 1 -5.355 -27.489 2.197 7 HG CYS 1 HG CYS 1 -4.110 -27.736 -0.140 8 H LYS 2 H LYS 2 -6.330 -26.729 4.302 9 HA LYS 2 HA LYS 2 -6.054 -28.562 6.461 10 HB2 LYS 2 2HB LYS 2 -5.311 -26.459 7.569 11 HB3 LYS 2 1HB LYS 2 -6.809 -25.681 7.076 12 HG2 LYS 2 2HG LYS 2 -8.085 -27.241 8.447 13 HG3 LYS 2 1HG LYS 2 -6.596 -28.053 8.924 14 HD2 LYS 2 2HD LYS 2 -5.805 -25.983 9.969 15 HD3 LYS 2 1HD LYS 2 -7.298 -25.172 9.491 16 HE2 LYS 2 2HE LYS 2 -7.387 -25.888 11.832 17 HE3 LYS 2 1HE LYS 2 -8.591 -26.733 10.856 18 HZ1 LYS 2 3HZ LYS 2 -5.957 -27.835 11.673 19 HZ2 LYS 2 1HZ LYS 2 -7.127 -28.650 10.765 20 HZ3 LYS 2 2HZ LYS 2 -7.447 -28.235 12.372 21 H THR 3 H THR 3 -8.284 -25.855 5.781 22 HA THR 3 HA THR 3 -10.418 -27.745 5.572 23 HB THR 3 HB THR 3 -10.477 -24.734 5.170 24 HG1 THR 3 1HG THR 3 -11.278 -24.980 7.491 25 HG21 THR 3 3HG2 THR 3 -12.834 -24.975 5.863 26 HG22 THR 3 1HG2 THR 3 -12.607 -26.714 6.042 27 HG23 THR 3 2HG2 THR 3 -12.496 -25.970 4.447 28 H LYS 4 H LYS 4 -9.414 -28.777 3.789 29 HA LYS 4 HA LYS 4 -9.284 -29.397 1.605 30 HB2 LYS 4 2HB LYS 4 -11.652 -28.319 1.580 31 HB3 LYS 4 1HB LYS 4 -10.866 -26.895 0.925 32 HG2 LYS 4 2HG LYS 4 -10.200 -28.218 -1.077 33 HG3 LYS 4 1HG LYS 4 -11.055 -29.611 -0.395 34 HD2 LYS 4 2HD LYS 4 -12.348 -28.467 -2.083 35 HD3 LYS 4 1HD LYS 4 -13.118 -28.293 -0.507 36 HE2 LYS 4 2HE LYS 4 -13.069 -26.195 -1.886 37 HE3 LYS 4 1HE LYS 4 -12.344 -26.041 -0.289 38 HZ1 LYS 4 3HZ LYS 4 -10.587 -26.692 -2.576 39 HZ2 LYS 4 1HZ LYS 4 -10.227 -25.906 -1.172 40 HZ3 LYS 4 2HZ LYS 4 -11.063 -25.083 -2.359 41 H ASP 5 H ASP 5 -8.539 -28.241 -0.691 42 HA ASP 5 HA ASP 5 -6.091 -26.866 -0.319 43 HB2 ASP 5 2HB ASP 5 -5.948 -26.961 -2.695 44 HB3 ASP 5 1HB ASP 5 -6.786 -28.439 -2.223 45 H TYR 6 H TYR 6 -5.700 -24.716 -1.459 46 HA TYR 6 HA TYR 6 -8.081 -23.165 -1.858 47 HB2 TYR 6 2HB TYR 6 -7.215 -21.224 -0.742 48 HB3 TYR 6 1HB TYR 6 -7.075 -22.537 0.407 49 HD1 TYR 6 1HD TYR 6 -5.217 -20.250 -1.820 50 HD2 TYR 6 2HD TYR 6 -4.872 -23.181 1.254 51 HE1 TYR 6 1HE TYR 6 -2.884 -19.585 -1.467 52 HE2 TYR 6 2HE TYR 6 -2.516 -22.523 1.606 53 HH TYR 6 HH TYR 6 -1.201 -19.713 -0.075 54 H LYS 7 H LYS 7 -7.878 -21.829 -3.633 55 HA LYS 7 HA LYS 7 -5.281 -21.809 -4.876 56 HB2 LYS 7 2HB LYS 7 -7.834 -22.628 -6.254 57 HB3 LYS 7 1HB LYS 7 -6.463 -22.000 -7.156 58 HG2 LYS 7 2HG LYS 7 -5.066 -23.839 -6.225 59 HG3 LYS 7 1HG LYS 7 -6.508 -24.490 -5.449 60 HD2 LYS 7 2HD LYS 7 -6.312 -24.024 -8.422 61 HD3 LYS 7 1HD LYS 7 -5.848 -25.544 -7.664 62 HE2 LYS 7 2HE LYS 7 -8.583 -24.293 -7.385 63 HE3 LYS 7 1HE LYS 7 -8.170 -25.483 -8.617 64 HZ1 LYS 7 3HZ LYS 7 -7.986 -25.945 -5.665 65 HZ2 LYS 7 1HZ LYS 7 -7.627 -27.056 -6.859 66 HZ3 LYS 7 2HZ LYS 7 -9.207 -26.515 -6.646 67 H THR 8 H THR 8 -5.062 -19.864 -4.033 68 HA THR 8 HA THR 8 -6.487 -17.718 -5.417 69 HB THR 8 HB THR 8 -5.221 -17.487 -2.652 70 HG1 THR 8 1HG THR 8 -7.502 -17.668 -1.941 71 HG21 THR 8 3HG2 THR 8 -5.747 -15.388 -3.824 72 HG22 THR 8 1HG2 THR 8 -6.808 -15.598 -2.432 73 HG23 THR 8 2HG2 THR 8 -7.409 -15.925 -4.057 74 H ARG 9 H ARG 9 -4.770 -15.704 -5.319 75 HA ARG 9 HA ARG 9 -2.260 -16.926 -6.112 76 HB2 ARG 9 2HB ARG 9 -3.309 -14.138 -6.470 77 HB3 ARG 9 1HB ARG 9 -1.719 -14.665 -7.025 78 HG2 ARG 9 2HG ARG 9 -2.901 -16.359 -8.453 79 HG3 ARG 9 1HG ARG 9 -4.419 -15.589 -7.992 80 HD2 ARG 9 2HD ARG 9 -3.512 -13.442 -8.882 81 HD3 ARG 9 1HD ARG 9 -2.118 -14.341 -9.479 82 HE ARG 9 HE ARG 9 -4.190 -15.688 -10.517 83 HH11 ARG 9 1HH1 ARG 9 -3.070 -12.305 -10.760 84 HH12 ARG 9 2HH1 ARG 9 -4.160 -11.950 -12.031 85 HH21 ARG 9 1HH2 ARG 9 -5.611 -15.090 -12.413 86 HH22 ARG 9 2HH2 ARG 9 -5.572 -13.465 -12.905 87 H ASP 10 H ASP 10 -0.825 -17.125 -4.621 88 HA ASP 10 HA ASP 10 -0.915 -15.635 -2.177 89 HB2 ASP 10 2HB ASP 10 0.195 -18.020 -3.080 90 HB3 ASP 10 1HB ASP 10 1.556 -17.023 -2.641 91 H VAL 11 H VAL 11 -0.613 -13.638 -2.789 92 HA VAL 11 HA VAL 11 1.654 -12.795 -4.334 93 HB VAL 11 HB VAL 11 1.024 -10.420 -3.540 94 HG11 VAL 11 1HG1 VAL 11 -1.040 -12.014 -5.046 95 HG12 VAL 11 2HG1 VAL 11 0.414 -11.246 -5.722 96 HG13 VAL 11 3HG1 VAL 11 -0.859 -10.253 -5.002 97 HG21 VAL 11 3HG2 VAL 11 -0.170 -11.173 -1.588 98 HG22 VAL 11 1HG2 VAL 11 -1.417 -11.891 -2.599 99 HG23 VAL 11 2HG2 VAL 11 -1.182 -10.125 -2.606 100 H THR 12 H THR 12 3.192 -13.748 -3.220 101 HA THR 12 HA THR 12 3.827 -12.365 -0.721 102 HB THR 12 HB THR 12 5.284 -13.970 -0.123 103 HG1 THR 12 1HG THR 12 4.815 -15.342 -2.638 104 HG21 THR 12 3HG2 THR 12 3.005 -15.439 -1.407 105 HG22 THR 12 1HG2 THR 12 2.892 -14.460 0.049 106 HG23 THR 12 2HG2 THR 12 3.876 -15.925 0.057 107 H ASP 13 H ASP 13 4.923 -12.886 -3.921 108 HA ASP 13 HA ASP 13 7.508 -11.783 -3.597 109 HB2 ASP 13 2HB ASP 13 7.463 -11.939 -6.099 110 HB3 ASP 13 1HB ASP 13 7.094 -13.463 -5.296 111 H ASP 14 H ASP 14 4.345 -10.791 -4.649 112 HA ASP 14 HA ASP 14 5.259 -8.167 -5.463 113 HB2 ASP 14 2HB ASP 14 3.110 -9.205 -6.367 114 HB3 ASP 14 1HB ASP 14 2.392 -8.827 -4.805 115 H VAL 15 H VAL 15 3.756 -9.564 -2.728 116 HA VAL 15 HA VAL 15 3.580 -7.120 -1.335 117 HB VAL 15 HB VAL 15 3.284 -9.990 -0.342 118 HG11 VAL 15 1HG1 VAL 15 2.314 -9.035 1.705 119 HG12 VAL 15 2HG1 VAL 15 2.659 -7.406 1.125 120 HG13 VAL 15 3HG1 VAL 15 3.986 -8.496 1.527 121 HG21 VAL 15 3HG2 VAL 15 0.906 -9.417 -0.292 122 HG22 VAL 15 1HG2 VAL 15 1.556 -9.217 -1.912 123 HG23 VAL 15 2HG2 VAL 15 1.258 -7.808 -0.899 124 H LYS 16 H LYS 16 6.115 -9.399 -1.830 125 HA LYS 16 HA LYS 16 7.782 -8.452 0.295 126 HB2 LYS 16 2HB LYS 16 8.006 -10.498 -1.569 127 HB3 LYS 16 1HB LYS 16 9.187 -9.337 -2.139 128 HG2 LYS 16 2HG LYS 16 10.345 -10.851 -0.708 129 HG3 LYS 16 1HG LYS 16 10.195 -9.326 0.161 130 HD2 LYS 16 2HD LYS 16 9.711 -11.145 1.692 131 HD3 LYS 16 1HD LYS 16 8.212 -10.276 1.372 132 HE2 LYS 16 2HE LYS 16 7.589 -11.976 -0.284 133 HE3 LYS 16 1HE LYS 16 9.075 -12.865 0.058 134 HZ1 LYS 16 3HZ LYS 16 8.229 -13.164 2.364 135 HZ2 LYS 16 1HZ LYS 16 7.204 -13.841 1.209 136 HZ3 LYS 16 2HZ LYS 16 6.796 -12.387 1.917 137 H SER 17 H SER 17 7.139 -7.466 -3.001 138 HA SER 17 HA SER 17 9.034 -5.393 -3.249 139 HB2 SER 17 2HB SER 17 7.825 -6.201 -5.205 140 HB3 SER 17 1HB SER 17 6.279 -5.814 -4.466 141 HG SER 17 HG SER 17 8.245 -3.885 -5.136 142 H ILE 18 H ILE 18 5.807 -5.558 -1.904 143 HA ILE 18 HA ILE 18 5.473 -2.898 -1.083 144 HB ILE 18 HB ILE 18 4.384 -5.537 -0.182 145 HG12 ILE 18 2HG1 ILE 18 3.024 -3.121 -1.391 146 HG13 ILE 18 1HG1 ILE 18 3.610 -4.505 -2.302 147 HG21 ILE 18 1HG2 ILE 18 4.568 -4.333 1.829 148 HG22 ILE 18 2HG2 ILE 18 2.854 -4.458 1.395 149 HG23 ILE 18 3HG2 ILE 18 3.729 -2.927 1.166 150 HD11 ILE 18 3HD1 ILE 18 1.477 -4.589 -0.187 151 HD12 ILE 18 1HD1 ILE 18 2.018 -5.935 -1.190 152 HD13 ILE 18 2HD1 ILE 18 1.198 -4.575 -1.941 153 H VAL 19 H VAL 19 6.872 -5.701 0.519 154 HA VAL 19 HA VAL 19 7.497 -4.566 2.958 155 HB VAL 19 HB VAL 19 8.875 -6.747 1.434 156 HG11 VAL 19 1HG1 VAL 19 9.914 -7.380 3.627 157 HG12 VAL 19 2HG1 VAL 19 9.159 -5.953 4.349 158 HG13 VAL 19 3HG1 VAL 19 10.428 -5.754 3.140 159 HG21 VAL 19 3HG2 VAL 19 7.692 -8.159 3.069 160 HG22 VAL 19 1HG2 VAL 19 6.622 -7.175 2.039 161 HG23 VAL 19 2HG2 VAL 19 6.979 -6.648 3.688 162 H ARG 20 H ARG 20 9.411 -4.634 -0.009 163 HA ARG 20 HA ARG 20 11.662 -3.263 0.887 164 HB2 ARG 20 2HB ARG 20 11.681 -4.035 -1.396 165 HB3 ARG 20 1HB ARG 20 10.274 -3.046 -1.797 166 HG2 ARG 20 2HG ARG 20 11.663 -1.034 -1.188 167 HG3 ARG 20 1HG ARG 20 13.050 -2.109 -1.137 168 HD2 ARG 20 2HD ARG 20 12.955 -2.498 -3.445 169 HD3 ARG 20 1HD ARG 20 11.301 -1.876 -3.568 170 HE ARG 20 HE ARG 20 12.744 0.189 -2.531 171 HH11 ARG 20 1HH1 ARG 20 13.029 -1.608 -5.544 172 HH12 ARG 20 2HH1 ARG 20 13.605 -0.269 -6.434 173 HH21 ARG 20 1HH2 ARG 20 13.435 1.877 -3.576 174 HH22 ARG 20 2HH2 ARG 20 13.891 1.897 -5.235 175 H PHE 21 H PHE 21 8.592 -1.959 -0.286 176 HA PHE 21 HA PHE 21 9.373 0.725 -0.055 177 HB2 PHE 21 2HB PHE 21 7.522 0.026 -1.481 178 HB3 PHE 21 1HB PHE 21 6.584 -0.363 -0.036 179 HD1 PHE 21 1HD PHE 21 8.468 2.456 -1.545 180 HD2 PHE 21 2HD PHE 21 5.205 1.250 0.901 181 HE1 PHE 21 1HE PHE 21 7.776 4.783 -1.340 182 HE2 PHE 21 2HE PHE 21 4.500 3.599 1.111 183 HZ PHE 21 HZ PHE 21 5.788 5.369 -0.007 184 H VAL 22 H VAL 22 7.502 -1.338 2.181 185 HA VAL 22 HA VAL 22 7.179 0.802 3.966 186 HB VAL 22 HB VAL 22 6.572 -0.890 5.704 187 HG11 VAL 22 1HG1 VAL 22 4.866 0.045 4.236 188 HG12 VAL 22 2HG1 VAL 22 4.513 -1.647 4.581 189 HG13 VAL 22 3HG1 VAL 22 5.209 -1.190 3.027 190 HG21 VAL 22 3HG2 VAL 22 7.034 -2.790 3.463 191 HG22 VAL 22 1HG2 VAL 22 6.339 -3.237 5.025 192 HG23 VAL 22 2HG2 VAL 22 8.027 -2.669 4.915 193 H GLN 23 H GLN 23 9.736 -1.621 3.655 194 HA GLN 23 HA GLN 23 11.217 -0.858 5.877 195 HB2 GLN 23 2HB GLN 23 12.037 -1.805 3.142 196 HB3 GLN 23 1HB GLN 23 13.202 -1.480 4.409 197 HG2 GLN 23 2HG GLN 23 10.942 -3.456 4.638 198 HG3 GLN 23 1HG GLN 23 12.581 -3.876 4.153 199 HE21 GLN 23 1HE2 GLN 23 12.877 -5.232 5.879 200 HE22 GLN 23 2HE2 GLN 23 13.066 -4.639 7.500 201 H GLU 24 H GLU 24 11.430 0.449 2.535 202 HA GLU 24 HA GLU 24 13.248 2.490 3.388 203 HB2 GLU 24 2HB GLU 24 13.162 3.377 1.095 204 HB3 GLU 24 1HB GLU 24 13.506 1.655 1.130 205 HG2 GLU 24 2HG GLU 24 11.322 1.128 0.381 206 HG3 GLU 24 1HG GLU 24 10.763 2.785 0.605 207 H HIS 25 H HIS 25 10.023 2.323 3.851 208 HA HIS 25 HA HIS 25 9.332 5.031 3.190 209 HB2 HIS 25 2HB HIS 25 7.170 4.497 3.693 210 HB3 HIS 25 1HB HIS 25 7.762 2.854 3.768 211 HD1 HIS 25 1HD HIS 25 8.332 2.043 6.392 212 HD2 HIS 25 2HD HIS 25 5.851 5.351 5.902 213 HE1 HIS 25 1HE HIS 25 7.134 2.326 8.571 214 HE2 HIS 25 2HE HIS 25 5.446 4.121 8.138 215 H SER 26 H SER 26 11.222 3.814 5.522 216 HA SER 26 HA SER 26 10.695 5.544 7.728 217 HB2 SER 26 2HB SER 26 13.116 3.858 7.084 218 HB3 SER 26 1HB SER 26 12.565 4.382 8.682 219 HG SER 26 HG SER 26 11.860 2.204 7.323 220 H SER 27 H SER 27 10.997 7.059 5.443 221 HA SER 27 HA SER 27 11.875 8.885 4.566 222 HB2 SER 27 2HB SER 27 11.899 9.672 6.946 223 HB3 SER 27 1HB SER 27 13.568 9.129 7.077 224 HG SER 27 HG SER 27 12.538 11.408 5.900 225 H SER 28 H SER 28 12.749 7.484 2.926 226 HA SER 28 HA SER 28 15.648 7.656 2.870 227 HB2 SER 28 2HB SER 28 15.329 6.230 0.731 228 HB3 SER 28 1HB SER 28 14.989 5.430 2.266 229 HG SER 28 HG SER 28 12.950 5.373 1.835 230 H GLN 29 H GLN 29 16.168 9.619 2.258 231 HA GLN 29 HA GLN 29 14.304 11.082 0.601 232 HB2 GLN 29 2HB GLN 29 16.718 12.112 2.071 233 HB3 GLN 29 1HB GLN 29 15.431 13.068 1.345 234 HG2 GLN 29 2HG GLN 29 13.834 11.917 2.904 235 HG3 GLN 29 1HG GLN 29 15.231 11.225 3.704 236 HE21 GLN 29 1HE2 GLN 29 14.719 12.230 5.598 237 HE22 GLN 29 2HE2 GLN 29 14.989 13.919 5.869 238 H GLY 30 H GLY 30 14.875 12.248 -1.186 239 HA2 GLY 30 2HA GLY 30 17.506 12.173 -2.287 240 HA3 GLY 30 1HA GLY 30 16.362 11.140 -3.149 241 H MET 31 H MET 31 16.817 12.665 -4.911 242 HA MET 31 HA MET 31 15.594 15.273 -4.677 243 HB2 MET 31 2HB MET 31 17.595 15.068 -6.069 244 HB3 MET 31 1HB MET 31 16.828 13.843 -7.057 245 HG2 MET 31 2HG MET 31 15.693 16.621 -6.907 246 HG3 MET 31 1HG MET 31 17.059 16.270 -7.955 247 HE1 MET 31 3HE MET 31 16.452 13.361 -9.086 248 HE2 MET 31 1HE MET 31 16.946 14.731 -10.084 249 HE3 MET 31 2HE MET 31 15.545 13.765 -10.540 250 H ARG 32 H ARG 32 15.004 12.532 -6.882 251 HA ARG 32 HA ARG 32 12.293 13.379 -7.300 252 HB2 ARG 32 2HB ARG 32 13.371 12.392 -9.198 253 HB3 ARG 32 1HB ARG 32 13.911 11.009 -8.269 254 HG2 ARG 32 2HG ARG 32 12.137 10.380 -9.800 255 HG3 ARG 32 1HG ARG 32 11.606 10.191 -8.135 256 HD2 ARG 32 2HD ARG 32 9.780 11.147 -9.312 257 HD3 ARG 32 1HD ARG 32 10.487 12.449 -8.369 258 HE ARG 32 HE ARG 32 11.526 13.234 -10.388 259 HH11 ARG 32 1HH1 ARG 32 8.864 10.896 -10.767 260 HH12 ARG 32 2HH1 ARG 32 8.352 11.396 -12.276 261 HH21 ARG 32 1HH2 ARG 32 10.827 14.018 -12.552 262 HH22 ARG 32 2HH2 ARG 32 9.518 13.262 -13.339 263 H ASN 33 H ASN 33 13.919 11.464 -5.044 264 HA ASN 33 HA ASN 33 11.731 9.688 -4.483 265 HB2 ASN 33 2HB ASN 33 14.256 9.251 -4.034 266 HB3 ASN 33 1HB ASN 33 14.019 10.232 -2.594 267 HD21 ASN 33 1HD2 ASN 33 14.747 7.459 -2.844 268 HD22 ASN 33 2HD2 ASN 33 13.595 6.523 -1.986 269 H ILE 34 H ILE 34 10.031 10.552 -3.844 270 HA ILE 34 HA ILE 34 9.339 12.984 -2.867 271 HB ILE 34 HB ILE 34 7.779 11.475 -3.783 272 HG12 ILE 34 2HG1 ILE 34 6.980 12.116 -0.927 273 HG13 ILE 34 1HG1 ILE 34 6.782 13.164 -2.328 274 HG21 ILE 34 1HG2 ILE 34 6.903 9.501 -2.570 275 HG22 ILE 34 2HG2 ILE 34 8.122 9.770 -1.323 276 HG23 ILE 34 3HG2 ILE 34 8.616 9.369 -2.967 277 HD11 ILE 34 3HD1 ILE 34 5.174 11.637 -3.292 278 HD12 ILE 34 1HD1 ILE 34 4.672 12.063 -1.656 279 HD13 ILE 34 2HD1 ILE 34 5.422 10.490 -1.989 280 H LYS 35 H LYS 35 10.460 10.332 -0.928 281 HA LYS 35 HA LYS 35 9.248 11.081 1.525 282 HB2 LYS 35 2HB LYS 35 11.780 9.500 1.363 283 HB3 LYS 35 1HB LYS 35 10.459 9.336 2.503 284 HG2 LYS 35 2HG LYS 35 9.061 8.556 0.521 285 HG3 LYS 35 1HG LYS 35 10.585 8.439 -0.353 286 HD2 LYS 35 2HD LYS 35 11.396 7.038 1.618 287 HD3 LYS 35 1HD LYS 35 9.692 6.917 2.062 288 HE2 LYS 35 2HE LYS 35 10.221 4.998 0.764 289 HE3 LYS 35 1HE LYS 35 9.257 6.066 -0.260 290 HZ1 LYS 35 3HZ LYS 35 12.192 5.970 -0.242 291 HZ2 LYS 35 1HZ LYS 35 11.268 6.794 -1.386 292 HZ3 LYS 35 2HZ LYS 35 11.297 5.069 -1.322 293 H HIS 36 H HIS 36 9.749 12.849 2.643 294 HA HIS 36 HA HIS 36 12.557 13.389 3.069 295 HB2 HIS 36 2HB HIS 36 10.579 15.522 2.240 296 HB3 HIS 36 1HB HIS 36 12.148 15.871 2.945 297 HD1 HIS 36 1HD HIS 36 10.580 14.511 -0.219 298 HD2 HIS 36 2HD HIS 36 14.329 15.643 1.180 299 HE1 HIS 36 1HE HIS 36 12.014 14.718 -2.250 300 HE2 HIS 36 2HE HIS 36 14.301 14.978 -1.350 301 H VAL 37 H VAL 37 9.808 15.283 4.107 302 HA VAL 37 HA VAL 37 10.166 14.226 6.803 303 HB VAL 37 HB VAL 37 10.369 17.236 6.369 304 HG11 VAL 37 1HG1 VAL 37 10.659 15.608 8.890 305 HG12 VAL 37 2HG1 VAL 37 9.314 16.668 8.474 306 HG13 VAL 37 3HG1 VAL 37 10.915 17.349 8.753 307 HG21 VAL 37 3HG2 VAL 37 12.702 17.074 7.135 308 HG22 VAL 37 1HG2 VAL 37 12.451 16.172 5.640 309 HG23 VAL 37 2HG2 VAL 37 12.565 15.316 7.176 310 H GLY 38 H GLY 38 8.628 17.184 5.960 311 HA2 GLY 38 2HA GLY 38 6.129 16.060 7.058 312 HA3 GLY 38 1HA GLY 38 6.565 17.754 7.137 313 HA PRO 39 HA PRO 39 4.253 18.603 3.435 314 HB2 PRO 39 2HB PRO 39 6.617 19.653 1.981 315 HB3 PRO 39 1HB PRO 39 5.127 20.503 2.441 316 HG2 PRO 39 2HG PRO 39 7.398 21.045 3.675 317 HG3 PRO 39 1HG PRO 39 5.862 20.978 4.563 318 HD2 PRO 39 2HD PRO 39 8.038 18.934 4.441 319 HD3 PRO 39 1HD PRO 39 7.081 19.485 5.832 320 H SER 40 H SER 40 7.503 17.743 2.272 321 HA SER 40 HA SER 40 6.393 16.103 0.198 322 HB2 SER 40 2HB SER 40 9.274 16.438 1.024 323 HB3 SER 40 1HB SER 40 8.658 15.908 -0.544 324 HG SER 40 HG SER 40 7.693 18.018 -0.729 325 H GLY 41 H GLY 41 5.521 14.275 0.954 326 HA2 GLY 41 2HA GLY 41 6.802 12.037 1.603 327 HA3 GLY 41 1HA GLY 41 6.566 12.821 3.172 328 H ARG 42 H ARG 42 4.833 12.170 4.153 329 HA ARG 42 HA ARG 42 2.693 11.577 4.654 330 HB2 ARG 42 2HB ARG 42 1.936 12.864 2.015 331 HB3 ARG 42 1HB ARG 42 0.843 12.496 3.338 332 HG2 ARG 42 2HG ARG 42 3.120 14.465 3.459 333 HG3 ARG 42 1HG ARG 42 1.429 14.882 3.192 334 HD2 ARG 42 2HD ARG 42 0.842 14.027 5.380 335 HD3 ARG 42 1HD ARG 42 2.501 13.473 5.638 336 HE ARG 42 HE ARG 42 3.060 15.908 5.293 337 HH11 ARG 42 1HH1 ARG 42 0.163 14.748 7.023 338 HH12 ARG 42 2HH1 ARG 42 -0.025 16.154 7.953 339 HH21 ARG 42 1HH2 ARG 42 2.804 17.831 6.598 340 HH22 ARG 42 2HH2 ARG 42 1.535 17.969 7.726 341 H PHE 43 H PHE 43 2.802 9.371 4.620 342 HA PHE 43 HA PHE 43 2.361 8.091 2.006 343 HB2 PHE 43 2HB PHE 43 3.501 6.823 4.506 344 HB3 PHE 43 1HB PHE 43 3.470 6.141 2.886 345 HD1 PHE 43 1HD PHE 43 4.756 7.458 1.063 346 HD2 PHE 43 2HD PHE 43 5.353 7.957 5.246 347 HE1 PHE 43 1HE PHE 43 6.946 8.463 0.630 348 HE2 PHE 43 2HE PHE 43 7.548 8.961 4.819 349 HZ PHE 43 HZ PHE 43 8.346 9.220 2.516 350 H THR 44 H THR 44 0.276 8.263 1.953 351 HA THR 44 HA THR 44 -1.231 6.845 4.009 352 HB THR 44 HB THR 44 -3.189 8.121 3.108 353 HG1 THR 44 1HG THR 44 -1.517 9.954 1.824 354 HG21 THR 44 3HG2 THR 44 -1.905 8.961 5.068 355 HG22 THR 44 1HG2 THR 44 -2.576 10.286 4.105 356 HG23 THR 44 2HG2 THR 44 -0.869 9.860 3.974 357 H MET 45 H MET 45 -2.618 5.227 3.331 358 HA MET 45 HA MET 45 -1.802 3.519 1.404 359 HB2 MET 45 2HB MET 45 -3.927 2.365 1.454 360 HB3 MET 45 1HB MET 45 -3.500 2.881 3.073 361 HG2 MET 45 2HG MET 45 -5.157 4.567 3.091 362 HG3 MET 45 1HG MET 45 -5.369 4.485 1.346 363 HE1 MET 45 3HE MET 45 -7.296 1.117 0.896 364 HE2 MET 45 1HE MET 45 -5.544 1.310 0.839 365 HE3 MET 45 2HE MET 45 -6.589 2.519 0.096 366 H ASN 46 H ASN 46 -4.125 6.120 0.845 367 HA ASN 46 HA ASN 46 -4.919 5.108 -1.677 368 HB2 ASN 46 2HB ASN 46 -6.323 6.634 -0.262 369 HB3 ASN 46 1HB ASN 46 -5.255 7.953 -0.731 370 HD21 ASN 46 1HD2 ASN 46 -7.747 5.745 -1.794 371 HD22 ASN 46 2HD2 ASN 46 -8.111 6.571 -3.250 372 H MET 47 H MET 47 -2.459 7.479 -0.680 373 HA MET 47 HA MET 47 -1.923 8.337 -3.355 374 HB2 MET 47 2HB MET 47 -1.360 9.757 -1.418 375 HB3 MET 47 1HB MET 47 -0.222 8.541 -0.850 376 HG2 MET 47 2HG MET 47 1.078 8.847 -2.946 377 HG3 MET 47 1HG MET 47 -0.018 10.145 -3.397 378 HE1 MET 47 3HE MET 47 0.756 12.817 -0.605 379 HE2 MET 47 1HE MET 47 -0.502 11.582 -0.543 380 HE3 MET 47 2HE MET 47 -0.199 12.457 -2.044 381 H LEU 48 H LEU 48 -0.738 5.917 -1.145 382 HA LEU 48 HA LEU 48 1.552 5.190 -2.629 383 HB2 LEU 48 2HB LEU 48 -0.013 3.460 -0.709 384 HB3 LEU 48 1HB LEU 48 1.629 3.195 -1.241 385 HG LEU 48 HG LEU 48 0.622 5.344 0.612 386 HD11 LEU 48 1HD1 LEU 48 2.174 4.319 2.184 387 HD12 LEU 48 2HD1 LEU 48 2.485 3.039 1.003 388 HD13 LEU 48 3HD1 LEU 48 0.870 3.255 1.670 389 HD21 LEU 48 3HD2 LEU 48 2.948 6.130 0.758 390 HD22 LEU 48 1HD2 LEU 48 2.301 6.340 -0.868 391 HD23 LEU 48 2HD2 LEU 48 3.408 5.010 -0.524 392 H VAL 49 H VAL 49 -1.885 4.198 -2.849 393 HA VAL 49 HA VAL 49 -1.471 1.928 -4.407 394 HB VAL 49 HB VAL 49 -3.773 3.751 -3.774 395 HG11 VAL 49 1HG1 VAL 49 -3.865 2.819 -5.967 396 HG12 VAL 49 2HG1 VAL 49 -5.187 2.284 -4.926 397 HG13 VAL 49 3HG1 VAL 49 -3.794 1.192 -5.285 398 HG21 VAL 49 3HG2 VAL 49 -3.080 0.939 -3.016 399 HG22 VAL 49 1HG2 VAL 49 -4.535 1.833 -2.524 400 HG23 VAL 49 2HG2 VAL 49 -2.932 2.405 -2.030 401 H ASP 50 H ASP 50 -2.325 5.227 -4.944 402 HA ASP 50 HA ASP 50 -2.849 5.275 -7.697 403 HB2 ASP 50 2HB ASP 50 -2.917 7.150 -5.776 404 HB3 ASP 50 1HB ASP 50 -1.337 7.549 -6.428 405 H ILE 51 H ILE 51 0.171 5.896 -5.979 406 HA ILE 51 HA ILE 51 1.813 5.948 -8.279 407 HB ILE 51 HB ILE 51 1.819 7.033 -6.080 408 HG12 ILE 51 2HG1 ILE 51 4.382 5.945 -7.053 409 HG13 ILE 51 1HG1 ILE 51 3.499 7.115 -8.002 410 HG21 ILE 51 1HG2 ILE 51 3.262 4.571 -5.504 411 HG22 ILE 51 2HG2 ILE 51 1.761 5.169 -4.775 412 HG23 ILE 51 3HG2 ILE 51 3.305 6.022 -4.443 413 HD11 ILE 51 3HD1 ILE 51 3.601 8.638 -5.952 414 HD12 ILE 51 1HD1 ILE 51 5.139 8.224 -6.794 415 HD13 ILE 51 2HD1 ILE 51 4.626 7.405 -5.278 416 H PHE 52 H PHE 52 0.898 3.648 -6.154 417 HA PHE 52 HA PHE 52 2.733 1.513 -6.537 418 HB2 PHE 52 2HB PHE 52 0.746 1.500 -4.973 419 HB3 PHE 52 1HB PHE 52 -0.272 1.180 -6.353 420 HD1 PHE 52 1HD PHE 52 2.441 -0.205 -4.257 421 HD2 PHE 52 2HD PHE 52 -0.664 -1.028 -7.037 422 HE1 PHE 52 1HE PHE 52 2.600 -2.603 -3.726 423 HE2 PHE 52 2HE PHE 52 -0.487 -3.417 -6.531 424 HZ PHE 52 HZ PHE 52 1.140 -4.209 -4.868 425 H LEU 53 H LEU 53 -0.098 2.371 -8.408 426 HA LEU 53 HA LEU 53 0.357 0.473 -10.499 427 HB2 LEU 53 2HB LEU 53 -1.562 2.691 -10.022 428 HB3 LEU 53 1HB LEU 53 -1.329 2.157 -11.666 429 HG LEU 53 HG LEU 53 -2.140 -0.069 -11.105 430 HD11 LEU 53 1HD1 LEU 53 -3.153 -0.514 -8.961 431 HD12 LEU 53 2HD1 LEU 53 -2.386 0.939 -8.288 432 HD13 LEU 53 3HD1 LEU 53 -1.399 -0.414 -8.920 433 HD21 LEU 53 3HD2 LEU 53 -3.925 2.085 -10.055 434 HD22 LEU 53 1HD2 LEU 53 -4.377 0.436 -10.499 435 HD23 LEU 53 2HD2 LEU 53 -3.767 1.549 -11.745 436 H GLY 54 H GLY 54 1.138 3.798 -9.944 437 HA2 GLY 54 2HA GLY 54 2.846 5.008 -11.148 438 HA3 GLY 54 1HA GLY 54 2.633 3.884 -12.495 439 H SER 55 H SER 55 0.510 5.834 -10.552 440 HA SER 55 HA SER 55 -1.504 6.350 -12.358 441 HB2 SER 55 2HB SER 55 -2.065 8.032 -10.678 442 HB3 SER 55 1HB SER 55 -1.697 6.436 -10.000 443 HG SER 55 HG SER 55 0.567 7.784 -10.294 444 H LYS 56 H LYS 56 -2.255 8.613 -12.575 445 HA LYS 56 HA LYS 56 -0.517 10.230 -14.186 446 HB2 LYS 56 2HB LYS 56 -2.571 11.655 -14.398 447 HB3 LYS 56 1HB LYS 56 -2.783 9.991 -14.924 448 HG2 LYS 56 2HG LYS 56 -3.946 9.432 -12.874 449 HG3 LYS 56 1HG LYS 56 -3.614 11.026 -12.209 450 HD2 LYS 56 2HD LYS 56 -5.275 10.525 -14.680 451 HD3 LYS 56 1HD LYS 56 -5.947 10.705 -13.060 452 HE2 LYS 56 2HE LYS 56 -4.923 12.959 -12.931 453 HE3 LYS 56 1HE LYS 56 -4.360 12.772 -14.590 454 HZ1 LYS 56 3HZ LYS 56 -6.660 12.578 -15.310 455 HZ2 LYS 56 1HZ LYS 56 -6.410 14.035 -14.483 456 HZ3 LYS 56 2HZ LYS 56 -7.192 12.752 -13.713 457 H SER 57 H SER 57 -1.714 10.252 -10.845 458 HA SER 57 HA SER 57 -1.125 13.066 -10.526 459 HB2 SER 57 2HB SER 57 -1.852 11.098 -8.373 460 HB3 SER 57 1HB SER 57 -2.213 12.824 -8.457 461 HG SER 57 HG SER 57 -3.640 10.799 -9.199 462 H ALA 58 H ALA 58 -0.019 9.893 -9.330 463 HA ALA 58 HA ALA 58 2.348 11.055 -8.191 464 HB1 ALA 58 1HB ALA 58 0.984 8.393 -8.045 465 HB2 ALA 58 2HB ALA 58 1.237 9.544 -6.714 466 HB3 ALA 58 3HB ALA 58 2.582 8.666 -7.431 467 H LYS 59 H LYS 59 3.403 11.514 -9.924 468 HA LYS 59 HA LYS 59 3.653 9.964 -12.270 469 HB2 LYS 59 2HB LYS 59 5.075 12.448 -11.345 470 HB3 LYS 59 1HB LYS 59 5.189 11.782 -12.974 471 HG2 LYS 59 2HG LYS 59 2.873 12.133 -13.377 472 HG3 LYS 59 1HG LYS 59 2.575 12.517 -11.685 473 HD2 LYS 59 2HD LYS 59 3.944 14.538 -11.918 474 HD3 LYS 59 1HD LYS 59 4.214 14.151 -13.619 475 HE2 LYS 59 2HE LYS 59 2.411 15.826 -13.266 476 HE3 LYS 59 1HE LYS 59 1.865 14.374 -14.099 477 HZ1 LYS 59 3HZ LYS 59 0.801 13.595 -12.200 478 HZ2 LYS 59 1HZ LYS 59 0.361 15.204 -12.304 479 HZ3 LYS 59 2HZ LYS 59 1.513 14.703 -11.151 480 H ILE 60 H ILE 60 4.639 8.651 -9.911 481 HA ILE 60 HA ILE 60 6.152 7.182 -9.250 482 HB ILE 60 HB ILE 60 7.212 7.783 -11.927 483 HG12 ILE 60 2HG1 ILE 60 5.693 5.385 -10.872 484 HG13 ILE 60 1HG1 ILE 60 5.040 6.681 -11.866 485 HG21 ILE 60 1HG2 ILE 60 8.619 5.638 -11.649 486 HG22 ILE 60 2HG2 ILE 60 8.080 5.666 -9.950 487 HG23 ILE 60 3HG2 ILE 60 9.084 6.966 -10.563 488 HD11 ILE 60 3HD1 ILE 60 6.482 5.973 -13.714 489 HD12 ILE 60 1HD1 ILE 60 5.428 4.669 -13.169 490 HD13 ILE 60 2HD1 ILE 60 7.129 4.678 -12.705 491 H GLN 61 H GLN 61 7.479 7.534 -7.607 492 HA GLN 61 HA GLN 61 9.375 9.656 -7.994 493 HB2 GLN 61 2HB GLN 61 8.486 8.937 -5.226 494 HB3 GLN 61 1HB GLN 61 9.149 10.449 -5.798 495 HG2 GLN 61 2HG GLN 61 6.358 9.398 -6.124 496 HG3 GLN 61 1HG GLN 61 6.841 10.803 -5.241 497 HE21 GLN 61 1HE2 GLN 61 4.842 10.520 -7.241 498 HE22 GLN 61 2HE2 GLN 61 5.224 11.611 -8.523 499 H SER 62 H SER 62 9.635 6.717 -8.378 500 HA SER 62 HA SER 62 11.234 5.132 -8.277 501 HB2 SER 62 2HB SER 62 12.921 7.182 -6.802 502 HB3 SER 62 1HB SER 62 13.517 5.699 -7.552 503 HG SER 62 HG SER 62 12.023 7.471 -9.088 504 H GLY 63 H GLY 63 10.598 3.439 -7.128 505 HA2 GLY 63 2HA GLY 63 11.489 2.521 -4.792 506 HA3 GLY 63 1HA GLY 63 10.198 3.603 -4.265 507 H ILE 64 H ILE 64 8.265 2.722 -4.076 508 HA ILE 64 HA ILE 64 7.573 0.259 -5.514 509 HB ILE 64 HB ILE 64 6.953 1.043 -3.076 510 HG12 ILE 64 2HG1 ILE 64 4.903 -0.359 -4.793 511 HG13 ILE 64 1HG1 ILE 64 6.281 -1.126 -4.008 512 HG21 ILE 64 1HG2 ILE 64 5.768 3.107 -3.670 513 HG22 ILE 64 2HG2 ILE 64 4.621 1.985 -2.916 514 HG23 ILE 64 3HG2 ILE 64 4.658 2.166 -4.673 515 HD11 ILE 64 3HD1 ILE 64 5.303 -0.571 -1.825 516 HD12 ILE 64 1HD1 ILE 64 4.226 -1.565 -2.807 517 HD13 ILE 64 2HD1 ILE 64 3.929 0.166 -2.646 518 H PHE 65 H PHE 65 7.760 3.384 -6.037 519 HA PHE 65 HA PHE 65 5.248 4.075 -7.117 520 HB2 PHE 65 2HB PHE 65 7.804 5.707 -7.668 521 HB3 PHE 65 1HB PHE 65 6.162 6.177 -7.557 522 HD1 PHE 65 2HD PHE 65 5.045 5.430 -5.254 523 HD2 PHE 65 1HD PHE 65 9.040 6.475 -5.922 524 HE1 PHE 65 2HE PHE 65 5.289 6.007 -2.810 525 HE2 PHE 65 1HE PHE 65 9.337 7.027 -3.526 526 HZ PHE 65 HZ PHE 65 7.450 6.798 -1.981 527 H GLY 66 H GLY 66 4.593 2.923 -8.751 528 HA2 GLY 66 2HA GLY 66 4.454 2.660 -11.049 529 HA3 GLY 66 1HA GLY 66 6.180 2.964 -11.175 530 H LYS 67 H LYS 67 5.543 0.756 -8.590 531 HA LYS 67 HA LYS 67 6.860 -1.218 -10.088 532 HB2 LYS 67 2HB LYS 67 6.503 -2.793 -8.178 533 HB3 LYS 67 1HB LYS 67 7.239 -1.264 -7.749 534 HG2 LYS 67 2HG LYS 67 5.710 -1.976 -6.042 535 HG3 LYS 67 1HG LYS 67 5.131 -0.507 -6.819 536 HD2 LYS 67 2HD LYS 67 3.299 -2.031 -6.356 537 HD3 LYS 67 1HD LYS 67 3.516 -1.831 -8.090 538 HE2 LYS 67 2HE LYS 67 3.084 -4.131 -7.628 539 HE3 LYS 67 1HE LYS 67 4.763 -3.977 -8.122 540 HZ1 LYS 67 3HZ LYS 67 4.301 -5.441 -6.321 541 HZ2 LYS 67 1HZ LYS 67 3.817 -4.210 -5.321 542 HZ3 LYS 67 2HZ LYS 67 5.463 -4.294 -5.841 543 H GLY 68 H GLY 68 3.394 -0.777 -9.756 544 HA2 GLY 68 2HA GLY 68 3.099 -2.936 -11.676 545 HA3 GLY 68 1HA GLY 68 2.475 -3.314 -10.086 546 H SER 69 H SER 69 1.832 -1.983 -13.083 547 HA SER 69 HA SER 69 -0.417 -0.390 -12.270 548 HB2 SER 69 2HB SER 69 -0.399 -0.145 -14.863 549 HB3 SER 69 1HB SER 69 0.851 0.657 -13.905 550 HG SER 69 HG SER 69 2.119 -0.383 -15.184 551 H ALA 70 H ALA 70 0.042 -3.500 -12.370 552 HA ALA 70 HA ALA 70 -2.152 -4.206 -14.115 553 HB1 ALA 70 1HB ALA 70 -0.122 -5.599 -14.225 554 HB2 ALA 70 2HB ALA 70 -1.523 -6.549 -13.731 555 HB3 ALA 70 3HB ALA 70 -0.340 -6.033 -12.529 556 H TYR 71 H TYR 71 -1.995 -3.018 -11.320 557 HA TYR 71 HA TYR 71 -4.136 -4.643 -10.083 558 HB2 TYR 71 2HB TYR 71 -2.396 -2.426 -9.078 559 HB3 TYR 71 1HB TYR 71 -3.853 -2.911 -8.248 560 HD1 TYR 71 1HD TYR 71 -0.532 -4.209 -9.381 561 HD2 TYR 71 2HD TYR 71 -3.860 -4.718 -6.779 562 HE1 TYR 71 1HE TYR 71 0.695 -5.960 -8.147 563 HE2 TYR 71 2HE TYR 71 -2.651 -6.455 -5.553 564 HH TYR 71 HH TYR 71 0.630 -6.941 -5.819 565 H SER 72 H SER 72 -6.119 -3.903 -9.917 566 HA SER 72 HA SER 72 -6.803 -1.496 -11.294 567 HB2 SER 72 2HB SER 72 -8.396 -3.334 -11.326 568 HB3 SER 72 1HB SER 72 -8.403 -3.417 -9.569 569 HG SER 72 HG SER 72 -10.135 -2.330 -10.008 570 H ARG 73 H ARG 73 -7.294 0.411 -10.341 571 HA ARG 73 HA ARG 73 -5.790 1.400 -8.302 572 HB2 ARG 73 2HB ARG 73 -7.023 2.766 -9.928 573 HB3 ARG 73 1HB ARG 73 -8.528 2.373 -9.131 574 HG2 ARG 73 2HG ARG 73 -7.728 4.656 -8.634 575 HG3 ARG 73 1HG ARG 73 -7.888 3.664 -7.187 576 HD2 ARG 73 2HD ARG 73 -5.572 3.414 -6.969 577 HD3 ARG 73 1HD ARG 73 -5.263 3.934 -8.624 578 HE ARG 73 HE ARG 73 -5.256 6.110 -7.917 579 HH11 ARG 73 1HH1 ARG 73 -6.865 4.304 -5.241 580 HH12 ARG 73 2HH1 ARG 73 -6.628 5.596 -4.178 581 HH21 ARG 73 1HH2 ARG 73 -5.080 7.729 -6.502 582 HH22 ARG 73 2HH2 ARG 73 -5.623 7.644 -4.866 583 H HIS 74 H HIS 74 -9.169 0.440 -7.903 584 HA HIS 74 HA HIS 74 -8.924 0.938 -5.063 585 HB2 HIS 74 2HB HIS 74 -11.320 0.067 -6.663 586 HB3 HIS 74 1HB HIS 74 -11.332 0.183 -4.912 587 HD1 HIS 74 1HD HIS 74 -10.397 2.865 -4.138 588 HD2 HIS 74 2HD HIS 74 -12.256 2.300 -7.833 589 HE1 HIS 74 1HE HIS 74 -11.321 5.063 -4.755 590 HE2 HIS 74 2HE HIS 74 -12.552 4.705 -6.912 591 H ASN 75 H ASN 75 -8.343 -1.681 -7.022 592 HA ASN 75 HA ASN 75 -9.003 -3.562 -4.938 593 HB2 ASN 75 2HB ASN 75 -7.795 -4.077 -7.676 594 HB3 ASN 75 1HB ASN 75 -8.189 -5.328 -6.507 595 HD21 ASN 75 1HD2 ASN 75 -10.443 -5.732 -5.962 596 HD22 ASN 75 2HD2 ASN 75 -11.675 -5.194 -6.990 597 H ALA 76 H ALA 76 -6.245 -1.951 -6.283 598 HA ALA 76 HA ALA 76 -4.306 -3.298 -4.729 599 HB1 ALA 76 1HB ALA 76 -3.040 -1.100 -4.971 600 HB2 ALA 76 2HB ALA 76 -4.468 -0.502 -5.851 601 HB3 ALA 76 3HB ALA 76 -3.548 -1.857 -6.478 602 H GLU 77 H GLU 77 -6.420 -0.527 -4.179 603 HA GLU 77 HA GLU 77 -5.775 0.104 -1.531 604 HB2 GLU 77 2HB GLU 77 -8.402 0.250 -3.015 605 HB3 GLU 77 1HB GLU 77 -8.134 0.968 -1.434 606 HG2 GLU 77 2HG GLU 77 -6.584 2.524 -2.296 607 HG3 GLU 77 1HG GLU 77 -6.456 1.595 -3.793 608 H ARG 78 H ARG 78 -7.671 -2.495 -2.896 609 HA ARG 78 HA ARG 78 -9.131 -3.200 -0.566 610 HB2 ARG 78 2HB ARG 78 -9.777 -3.818 -2.906 611 HB3 ARG 78 1HB ARG 78 -8.410 -4.923 -2.951 612 HG2 ARG 78 2HG ARG 78 -10.215 -6.288 -2.461 613 HG3 ARG 78 1HG ARG 78 -9.479 -5.988 -0.881 614 HD2 ARG 78 2HD ARG 78 -11.838 -5.720 -0.622 615 HD3 ARG 78 1HD ARG 78 -11.126 -4.102 -0.593 616 HE ARG 78 HE ARG 78 -12.079 -5.179 -3.119 617 HH11 ARG 78 1HH1 ARG 78 -12.557 -2.809 -0.542 618 HH12 ARG 78 2HH1 ARG 78 -13.801 -1.950 -1.339 619 HH21 ARG 78 1HH2 ARG 78 -13.762 -4.089 -4.208 620 HH22 ARG 78 2HH2 ARG 78 -14.541 -2.722 -3.559 621 H LEU 79 H LEU 79 -6.045 -3.948 -1.952 622 HA LEU 79 HA LEU 79 -5.495 -6.229 -0.382 623 HB2 LEU 79 2HB LEU 79 -4.368 -4.938 -2.462 624 HB3 LEU 79 1HB LEU 79 -3.236 -4.689 -1.146 625 HG LEU 79 HG LEU 79 -4.330 -7.164 -2.179 626 HD11 LEU 79 1HD1 LEU 79 -2.630 -5.958 -3.373 627 HD12 LEU 79 2HD1 LEU 79 -1.940 -7.528 -2.744 628 HD13 LEU 79 3HD1 LEU 79 -1.651 -5.970 -1.887 629 HD21 LEU 79 3HD2 LEU 79 -2.377 -6.858 0.083 630 HD22 LEU 79 1HD2 LEU 79 -2.784 -8.396 -0.663 631 HD23 LEU 79 2HD2 LEU 79 -4.022 -7.490 0.210 632 H PHE 80 H PHE 80 -4.436 -2.852 -0.272 633 HA PHE 80 HA PHE 80 -2.932 -3.086 2.077 634 HB2 PHE 80 2HB PHE 80 -4.408 -0.767 0.877 635 HB3 PHE 80 1HB PHE 80 -3.483 -0.576 2.361 636 HD1 PHE 80 1HD PHE 80 -3.260 -1.221 -1.258 637 HD2 PHE 80 2HD PHE 80 -1.082 -0.505 2.319 638 HE1 PHE 80 1HE PHE 80 -1.228 -0.817 -2.583 639 HE2 PHE 80 2HE PHE 80 0.957 -0.101 1.005 640 HZ PHE 80 HZ PHE 80 0.887 -0.257 -1.451 641 H LYS 81 H LYS 81 -6.192 -3.160 1.482 642 HA LYS 81 HA LYS 81 -6.819 -2.590 4.248 643 HB2 LYS 81 2HB LYS 81 -8.565 -2.857 1.854 644 HB3 LYS 81 1HB LYS 81 -9.271 -3.116 3.448 645 HG2 LYS 81 2HG LYS 81 -7.663 -0.663 2.786 646 HG3 LYS 81 1HG LYS 81 -9.405 -0.759 2.518 647 HD2 LYS 81 2HD LYS 81 -9.807 -1.150 4.867 648 HD3 LYS 81 1HD LYS 81 -8.090 -1.321 5.192 649 HE2 LYS 81 2HE LYS 81 -9.346 1.231 4.187 650 HE3 LYS 81 1HE LYS 81 -9.138 0.863 5.895 651 HZ1 LYS 81 3HZ LYS 81 -7.301 2.235 5.032 652 HZ2 LYS 81 1HZ LYS 81 -6.875 1.064 3.938 653 HZ3 LYS 81 2HZ LYS 81 -6.751 0.845 5.610 654 H LYS 82 H LYS 82 -6.586 -5.400 2.135 655 HA LYS 82 HA LYS 82 -7.705 -7.127 4.111 656 HB2 LYS 82 2HB LYS 82 -7.281 -7.653 1.592 657 HB3 LYS 82 1HB LYS 82 -5.627 -7.969 2.081 658 HG2 LYS 82 2HG LYS 82 -6.469 -9.606 3.743 659 HG3 LYS 82 1HG LYS 82 -8.098 -9.388 3.094 660 HD2 LYS 82 2HD LYS 82 -7.333 -11.281 1.980 661 HD3 LYS 82 1HD LYS 82 -6.981 -9.988 0.829 662 HE2 LYS 82 2HE LYS 82 -5.033 -11.284 0.899 663 HE3 LYS 82 1HE LYS 82 -4.678 -9.882 1.905 664 HZ1 LYS 82 3HZ LYS 82 -5.294 -12.646 2.750 665 HZ2 LYS 82 1HZ LYS 82 -5.289 -11.355 3.888 666 HZ3 LYS 82 2HZ LYS 82 -3.922 -11.691 3.074 667 H LEU 83 H LEU 83 -4.608 -5.919 3.210 668 HA LEU 83 HA LEU 83 -2.882 -7.283 4.867 669 HB2 LEU 83 2HB LEU 83 -2.913 -4.875 3.278 670 HB3 LEU 83 1HB LEU 83 -1.921 -4.696 4.699 671 HG LEU 83 HG LEU 83 -0.347 -6.349 3.909 672 HD11 LEU 83 1HD1 LEU 83 -1.816 -8.068 3.405 673 HD12 LEU 83 2HD1 LEU 83 -0.815 -7.716 1.973 674 HD13 LEU 83 3HD1 LEU 83 -2.502 -7.141 2.068 675 HD21 LEU 83 3HD2 LEU 83 -1.391 -4.903 1.487 676 HD22 LEU 83 1HD2 LEU 83 0.194 -5.661 1.659 677 HD23 LEU 83 2HD2 LEU 83 -0.226 -4.271 2.653 678 H ILE 84 H ILE 84 -4.815 -4.342 5.590 679 HA ILE 84 HA ILE 84 -3.649 -4.224 8.171 680 HB ILE 84 HB ILE 84 -5.249 -2.473 8.750 681 HG12 ILE 84 2HG1 ILE 84 -6.594 -1.500 6.705 682 HG13 ILE 84 1HG1 ILE 84 -6.515 -3.162 6.129 683 HG21 ILE 84 1HG2 ILE 84 -3.233 -1.809 7.750 684 HG22 ILE 84 2HG2 ILE 84 -4.538 -0.807 7.091 685 HG23 ILE 84 3HG2 ILE 84 -3.868 -2.123 6.133 686 HD11 ILE 84 3HD1 ILE 84 -7.767 -2.234 8.707 687 HD12 ILE 84 1HD1 ILE 84 -7.660 -3.908 8.162 688 HD13 ILE 84 2HD1 ILE 84 -8.618 -2.744 7.247 689 H LEU 85 H LEU 85 -6.319 -5.909 6.846 690 HA LEU 85 HA LEU 85 -7.433 -6.526 9.347 691 HB2 LEU 85 2HB LEU 85 -7.773 -7.694 6.618 692 HB3 LEU 85 1HB LEU 85 -8.556 -8.415 8.014 693 HG LEU 85 HG LEU 85 -8.797 -5.543 7.420 694 HD11 LEU 85 1HD1 LEU 85 -10.991 -6.105 6.274 695 HD12 LEU 85 2HD1 LEU 85 -10.604 -7.816 6.445 696 HD13 LEU 85 3HD1 LEU 85 -9.617 -6.789 5.406 697 HD21 LEU 85 3HD2 LEU 85 -10.916 -5.781 8.693 698 HD22 LEU 85 1HD2 LEU 85 -9.479 -6.207 9.620 699 HD23 LEU 85 2HD2 LEU 85 -10.515 -7.474 8.966 700 H ASP 86 H ASP 86 -5.236 -8.115 7.079 701 HA ASP 86 HA ASP 86 -4.742 -10.537 8.448 702 HB2 ASP 86 2HB ASP 86 -2.774 -9.025 6.687 703 HB3 ASP 86 1HB ASP 86 -2.662 -10.708 7.149 704 H LYS 87 H LYS 87 -3.400 -7.307 8.667 705 HA LYS 87 HA LYS 87 -2.641 -6.214 10.467 706 HB2 LYS 87 2HB LYS 87 -3.162 -8.677 11.747 707 HB3 LYS 87 1HB LYS 87 -1.587 -8.071 12.264 708 HG2 LYS 87 2HG LYS 87 -3.116 -7.097 13.724 709 HG3 LYS 87 1HG LYS 87 -2.685 -5.839 12.588 710 HD2 LYS 87 2HD LYS 87 -4.757 -6.601 11.264 711 HD3 LYS 87 1HD LYS 87 -5.229 -7.397 12.765 712 HE2 LYS 87 2HE LYS 87 -6.238 -5.212 12.669 713 HE3 LYS 87 1HE LYS 87 -5.016 -5.243 13.944 714 HZ1 LYS 87 3HZ LYS 87 -3.493 -4.033 12.565 715 HZ2 LYS 87 1HZ LYS 87 -4.948 -3.227 12.494 716 HZ3 LYS 87 2HZ LYS 87 -4.463 -4.220 11.207 717 H ILE 88 H ILE 88 -1.259 -7.778 8.294 718 HA ILE 88 HA ILE 88 1.472 -7.560 9.008 719 HB ILE 88 HB ILE 88 -0.079 -7.506 6.459 720 HG12 ILE 88 2HG1 ILE 88 1.474 -9.498 5.895 721 HG13 ILE 88 1HG1 ILE 88 2.005 -9.367 7.565 722 HG21 ILE 88 1HG2 ILE 88 1.629 -5.902 5.954 723 HG22 ILE 88 2HG2 ILE 88 2.174 -7.405 5.183 724 HG23 ILE 88 3HG2 ILE 88 2.862 -6.881 6.730 725 HD11 ILE 88 3HD1 ILE 88 -0.279 -9.809 8.311 726 HD12 ILE 88 1HD1 ILE 88 0.373 -11.115 7.314 727 HD13 ILE 88 2HD1 ILE 88 -0.769 -9.969 6.622 728 H LEU 89 H LEU 89 -1.030 -5.446 7.835 729 HA LEU 89 HA LEU 89 0.747 -3.159 8.168 730 HB2 LEU 89 2HB LEU 89 -1.829 -3.412 6.684 731 HB3 LEU 89 1HB LEU 89 -0.971 -1.918 6.950 732 HG LEU 89 HG LEU 89 -0.183 -4.221 5.176 733 HD11 LEU 89 1HD1 LEU 89 -1.794 -2.665 4.384 734 HD12 LEU 89 2HD1 LEU 89 -0.256 -2.378 3.533 735 HD13 LEU 89 3HD1 LEU 89 -0.786 -1.307 4.849 736 HD21 LEU 89 3HD2 LEU 89 1.411 -1.811 6.049 737 HD22 LEU 89 1HD2 LEU 89 1.864 -2.918 4.731 738 HD23 LEU 89 2HD2 LEU 89 1.764 -3.505 6.400 739 H ASP 90 H ASP 90 0.048 -1.433 9.254 740 HA ASP 90 HA ASP 90 -2.471 -1.463 10.620 741 HB2 ASP 90 2HB ASP 90 0.230 -1.345 12.033 742 HB3 ASP 90 1HB ASP 90 -1.234 -0.707 12.774 743 H GLU 91 H GLU 91 -3.308 0.413 10.129 744 HA GLU 91 HA GLU 91 -1.632 2.552 9.069 745 HB2 GLU 91 2HB GLU 91 -4.621 2.186 9.161 746 HB3 GLU 91 1HB GLU 91 -3.805 3.551 8.418 747 HG2 GLU 91 2HG GLU 91 -2.831 2.172 6.761 748 HG3 GLU 91 1HG GLU 91 -3.346 0.705 7.592 749 H ASP 92 H ASP 92 -1.836 4.704 9.697 750 HA ASP 92 HA ASP 92 -2.463 5.175 12.541 751 HB2 ASP 92 2HB ASP 92 -1.281 7.147 10.568 752 HB3 ASP 92 1HB ASP 92 -1.296 7.270 12.312 753 H LEU 93 H LEU 93 -4.117 6.543 13.088 754 HA LEU 93 HA LEU 93 -5.684 7.557 10.837 755 HB2 LEU 93 2HB LEU 93 -6.604 6.844 13.614 756 HB3 LEU 93 1HB LEU 93 -7.614 7.620 12.415 757 HG LEU 93 HG LEU 93 -6.405 4.863 12.174 758 HD11 LEU 93 1HD1 LEU 93 -9.247 5.746 12.639 759 HD12 LEU 93 2HD1 LEU 93 -8.193 4.961 13.815 760 HD13 LEU 93 3HD1 LEU 93 -8.714 4.085 12.375 761 HD21 LEU 93 3HD2 LEU 93 -7.829 4.665 10.163 762 HD22 LEU 93 1HD2 LEU 93 -6.609 5.923 9.973 763 HD23 LEU 93 2HD2 LEU 93 -8.274 6.362 10.325 764 H TYR 94 H TYR 94 -5.589 9.555 10.459 765 HA TYR 94 HA TYR 94 -5.205 11.482 12.628 766 HB2 TYR 94 2HB TYR 94 -3.126 11.269 11.360 767 HB3 TYR 94 1HB TYR 94 -4.011 11.430 9.851 768 HD1 TYR 94 1HD TYR 94 -2.982 13.268 12.903 769 HD2 TYR 94 2HD TYR 94 -4.434 13.550 8.919 770 HE1 TYR 94 1HE TYR 94 -2.564 15.696 12.926 771 HE2 TYR 94 2HE TYR 94 -4.031 15.972 8.930 772 HH TYR 94 HH TYR 94 -3.835 17.785 10.634 773 H ILE 95 H ILE 95 -7.124 12.460 12.749 774 HA ILE 95 HA ILE 95 -8.553 12.890 10.249 775 HB ILE 95 HB ILE 95 -9.578 11.335 12.011 776 HG12 ILE 95 2HG1 ILE 95 -11.192 13.768 11.340 777 HG13 ILE 95 1HG1 ILE 95 -10.881 12.437 10.232 778 HG21 ILE 95 1HG2 ILE 95 -9.999 13.939 13.396 779 HG22 ILE 95 2HG2 ILE 95 -8.999 12.581 14.002 780 HG23 ILE 95 3HG2 ILE 95 -10.775 12.421 13.822 781 HD11 ILE 95 3HD1 ILE 95 -11.972 10.915 11.837 782 HD12 ILE 95 1HD1 ILE 95 -13.024 12.180 11.170 783 HD13 ILE 95 2HD1 ILE 95 -12.380 12.344 12.812 784 H ASN 96 H ASN 96 -9.518 14.948 9.973 785 HA ASN 96 HA ASN 96 -8.269 17.009 11.654 786 HB2 ASN 96 2HB ASN 96 -8.468 18.560 9.818 787 HB3 ASN 96 1HB ASN 96 -7.818 17.073 9.150 788 HD21 ASN 96 1HD2 ASN 96 -9.174 19.222 7.806 789 HD22 ASN 96 2HD2 ASN 96 -10.598 18.581 7.096 790 H ALA 97 H ALA 97 -9.900 19.157 11.341 791 HA ALA 97 HA ALA 97 -12.078 18.489 13.069 792 HB1 ALA 97 1HB ALA 97 -12.488 20.886 13.129 793 HB2 ALA 97 2HB ALA 97 -11.392 21.124 11.768 794 HB3 ALA 97 3HB ALA 97 -10.767 20.546 13.314 795 H ASN 98 H ASN 98 -12.093 17.658 10.115 796 HA ASN 98 HA ASN 98 -14.827 18.587 9.482 797 HB2 ASN 98 2HB ASN 98 -12.591 17.724 7.683 798 HB3 ASN 98 1HB ASN 98 -14.259 17.851 7.135 799 HD21 ASN 98 1HD2 ASN 98 -15.103 19.915 6.890 800 HD22 ASN 98 2HD2 ASN 98 -14.047 21.294 6.859 801 H ASP 99 H ASP 99 -13.274 16.227 10.910 802 HA ASP 99 HA ASP 99 -13.411 14.069 11.241 803 HB2 ASP 99 2HB ASP 99 -16.186 14.523 10.129 804 HB3 ASP 99 1HB ASP 99 -15.670 12.923 10.648 805 H GLN 100 H GLN 100 -12.265 14.984 8.844 806 HA GLN 100 HA GLN 100 -12.684 12.786 6.956 807 HB2 GLN 100 2HB GLN 100 -10.820 15.149 6.838 808 HB3 GLN 100 1HB GLN 100 -11.035 13.957 5.556 809 HG2 GLN 100 2HG GLN 100 -13.322 14.684 5.237 810 HG3 GLN 100 1HG GLN 100 -13.182 15.805 6.589 811 HE21 GLN 100 1HE2 GLN 100 -10.442 16.555 5.828 812 HE22 GLN 100 2HE2 GLN 100 -10.627 17.580 4.434 813 H ALA 101 H ALA 101 -11.794 11.040 7.719 814 HA ALA 101 HA ALA 101 -9.388 11.093 9.307 815 HB1 ALA 101 1HB ALA 101 -9.750 8.717 9.619 816 HB2 ALA 101 2HB ALA 101 -11.029 8.733 8.405 817 HB3 ALA 101 3HB ALA 101 -11.241 9.611 9.920 818 H ILE 102 H ILE 102 -7.426 11.151 8.417 819 HA ILE 102 HA ILE 102 -7.022 9.917 5.885 820 HB ILE 102 HB ILE 102 -5.845 12.089 7.521 821 HG12 ILE 102 2HG1 ILE 102 -7.323 12.728 5.732 822 HG13 ILE 102 1HG1 ILE 102 -5.681 13.263 5.376 823 HG21 ILE 102 1HG2 ILE 102 -3.752 12.128 6.294 824 HG22 ILE 102 2HG2 ILE 102 -4.178 10.518 5.638 825 HG23 ILE 102 3HG2 ILE 102 -4.051 10.773 7.393 826 HD11 ILE 102 3HD1 ILE 102 -7.096 10.896 4.142 827 HD12 ILE 102 1HD1 ILE 102 -5.423 11.373 3.830 828 HD13 ILE 102 2HD1 ILE 102 -6.746 12.441 3.381 829 H ALA 103 H ALA 103 -5.819 8.168 5.802 830 HA ALA 103 HA ALA 103 -4.742 7.106 8.313 831 HB1 ALA 103 1HB ALA 103 -6.634 5.824 7.462 832 HB2 ALA 103 2HB ALA 103 -5.149 4.873 7.419 833 HB3 ALA 103 3HB ALA 103 -5.791 5.577 5.935 834 H TYR 104 H TYR 104 -2.657 6.845 8.412 835 HA TYR 104 HA TYR 104 -1.077 7.000 5.950 836 HB2 TYR 104 2HB TYR 104 -0.152 7.200 8.839 837 HB3 TYR 104 1HB TYR 104 0.862 7.292 7.406 838 HD1 TYR 104 1HD TYR 104 -1.767 9.070 9.306 839 HD2 TYR 104 2HD TYR 104 1.158 9.297 6.227 840 HE1 TYR 104 1HE TYR 104 -1.974 11.521 9.287 841 HE2 TYR 104 2HE TYR 104 0.944 11.744 6.193 842 HH TYR 104 HH TYR 104 -0.776 13.383 8.670 843 H VAL 105 H VAL 105 0.695 5.470 5.727 844 HA VAL 105 HA VAL 105 -0.250 2.914 6.702 845 HB VAL 105 HB VAL 105 1.090 3.611 4.115 846 HG11 VAL 105 1HG1 VAL 105 1.284 1.190 3.622 847 HG12 VAL 105 2HG1 VAL 105 0.740 0.799 5.252 848 HG13 VAL 105 3HG1 VAL 105 2.299 1.587 5.009 849 HG21 VAL 105 3HG2 VAL 105 -0.825 2.313 3.304 850 HG22 VAL 105 1HG2 VAL 105 -1.252 3.736 4.288 851 HG23 VAL 105 2HG2 VAL 105 -1.279 2.124 5.025 852 H MET 106 H MET 106 0.656 1.831 8.004 853 HA MET 106 HA MET 106 3.579 1.837 8.344 854 HB2 MET 106 2HB MET 106 1.553 1.881 10.607 855 HB3 MET 106 1HB MET 106 3.269 1.602 10.811 856 HG2 MET 106 2HG MET 106 2.005 4.129 9.792 857 HG3 MET 106 1HG MET 106 2.587 3.857 11.429 858 HE1 MET 106 3HE MET 106 5.117 6.442 10.047 859 HE2 MET 106 1HE MET 106 3.999 6.027 11.349 860 HE3 MET 106 2HE MET 106 3.386 6.338 9.725 861 H LEU 107 H LEU 107 3.817 -0.102 10.216 862 HA LEU 107 HA LEU 107 2.198 -2.345 9.480 863 HB2 LEU 107 2HB LEU 107 4.130 -3.741 8.909 864 HB3 LEU 107 1HB LEU 107 4.054 -2.353 7.850 865 HG LEU 107 HG LEU 107 5.991 -2.587 10.176 866 HD11 LEU 107 1HD1 LEU 107 6.434 -3.109 7.246 867 HD12 LEU 107 2HD1 LEU 107 6.440 -4.319 8.530 868 HD13 LEU 107 3HD1 LEU 107 7.684 -3.069 8.486 869 HD21 LEU 107 3HD2 LEU 107 5.571 -0.265 9.475 870 HD22 LEU 107 1HD2 LEU 107 5.945 -0.697 7.807 871 HD23 LEU 107 2HD2 LEU 107 7.202 -0.771 9.041 872 H GLY 108 H GLY 108 1.944 -3.678 11.329 873 HA2 GLY 108 2HA GLY 108 3.683 -2.919 13.560 874 HA3 GLY 108 1HA GLY 108 1.954 -2.823 13.714 875 H ASN 109 H ASN 109 0.770 -4.879 13.365 876 HA ASN 109 HA ASN 109 1.718 -6.516 15.477 877 HB2 ASN 109 2HB ASN 109 -0.674 -6.046 15.122 878 HB3 ASN 109 1HB ASN 109 -0.657 -7.116 13.730 879 HD21 ASN 109 1HD2 ASN 109 -0.466 -6.914 17.162 880 HD22 ASN 109 2HD2 ASN 109 -0.762 -8.577 17.519 881 H LYS 110 H LYS 110 1.285 -7.513 12.045 882 HA LYS 110 HA LYS 110 2.759 -9.967 12.747 883 HB2 LYS 110 2HB LYS 110 1.550 -9.280 10.059 884 HB3 LYS 110 1HB LYS 110 2.110 -10.843 10.607 885 HG2 LYS 110 2HG LYS 110 -0.278 -9.341 11.588 886 HG3 LYS 110 1HG LYS 110 -0.290 -10.783 10.567 887 HD2 LYS 110 2HD LYS 110 0.714 -12.033 12.430 888 HD3 LYS 110 1HD LYS 110 0.668 -10.563 13.413 889 HE2 LYS 110 2HE LYS 110 -1.825 -10.499 12.877 890 HE3 LYS 110 1HE LYS 110 -1.628 -12.168 12.342 891 HZ1 LYS 110 3HZ LYS 110 -2.313 -12.071 14.642 892 HZ2 LYS 110 1HZ LYS 110 -0.995 -11.058 14.973 893 HZ3 LYS 110 2HZ LYS 110 -0.716 -12.679 14.544 894 H ALA 111 H ALA 111 3.430 -6.968 11.921 895 HA ALA 111 HA ALA 111 4.929 -6.876 9.645 896 HB1 ALA 111 1HB ALA 111 5.964 -4.889 10.529 897 HB2 ALA 111 2HB ALA 111 5.411 -5.310 12.150 898 HB3 ALA 111 3HB ALA 111 4.239 -4.927 10.888 899 H GLN 112 H GLN 112 5.970 -8.032 12.815 900 HA GLN 112 HA GLN 112 8.723 -7.840 12.239 901 HB2 GLN 112 2HB GLN 112 9.165 -8.937 14.281 902 HB3 GLN 112 1HB GLN 112 7.653 -8.111 14.562 903 HG2 GLN 112 2HG GLN 112 7.157 -10.110 15.546 904 HG3 GLN 112 1HG GLN 112 6.689 -10.521 13.895 905 HE21 GLN 112 1HE2 GLN 112 7.931 -11.996 12.747 906 HE22 GLN 112 2HE2 GLN 112 9.281 -12.839 13.397 907 H THR 113 H THR 113 6.371 -10.385 11.613 908 HA THR 113 HA THR 113 8.341 -12.268 10.751 909 HB THR 113 HB THR 113 5.380 -12.333 10.138 910 HG1 THR 113 1HG THR 113 5.899 -13.691 12.349 911 HG21 THR 113 3HG2 THR 113 7.437 -14.490 10.715 912 HG22 THR 113 1HG2 THR 113 6.820 -14.071 9.118 913 HG23 THR 113 2HG2 THR 113 5.740 -14.763 10.327 914 H VAL 114 H VAL 114 6.462 -9.740 9.433 915 HA VAL 114 HA VAL 114 6.711 -10.290 6.663 916 HB VAL 114 HB VAL 114 6.459 -7.629 8.102 917 HG11 VAL 114 1HG1 VAL 114 7.129 -7.303 5.811 918 HG12 VAL 114 2HG1 VAL 114 5.457 -6.788 6.035 919 HG13 VAL 114 3HG1 VAL 114 5.808 -8.322 5.244 920 HG21 VAL 114 3HG2 VAL 114 4.093 -7.815 7.844 921 HG22 VAL 114 1HG2 VAL 114 4.702 -9.209 8.706 922 HG23 VAL 114 2HG2 VAL 114 4.238 -9.363 7.011 923 H LEU 115 H LEU 115 8.595 -8.483 9.025 924 HA LEU 115 HA LEU 115 10.658 -7.646 7.248 925 HB2 LEU 115 2HB LEU 115 10.772 -7.960 10.245 926 HB3 LEU 115 1HB LEU 115 11.877 -7.021 9.262 927 HG LEU 115 HG LEU 115 8.964 -6.467 9.684 928 HD11 LEU 115 1HD1 LEU 115 9.753 -4.482 10.920 929 HD12 LEU 115 2HD1 LEU 115 11.415 -5.030 10.707 930 HD13 LEU 115 3HD1 LEU 115 10.286 -5.986 11.669 931 HD21 LEU 115 3HD2 LEU 115 9.407 -4.329 8.522 932 HD22 LEU 115 1HD2 LEU 115 9.623 -5.736 7.481 933 HD23 LEU 115 2HD2 LEU 115 11.029 -4.903 8.142 934 H ASN 116 H ASN 116 10.111 -10.458 9.251 935 HA ASN 116 HA ASN 116 12.673 -11.630 8.775 936 HB2 ASN 116 2HB ASN 116 10.049 -12.859 9.704 937 HB3 ASN 116 1HB ASN 116 11.494 -13.830 9.438 938 HD21 ASN 116 1HD2 ASN 116 13.182 -11.586 10.538 939 HD22 ASN 116 2HD2 ASN 116 12.881 -11.673 12.238 940 H GLY 117 H GLY 117 10.059 -11.054 6.828 941 HA2 GLY 117 2HA GLY 117 9.969 -11.382 4.533 942 HA3 GLY 117 1HA GLY 117 11.264 -12.561 4.675 943 H ASN 118 H ASN 118 9.310 -13.575 6.949 944 HA ASN 118 HA ASN 118 8.253 -15.617 5.167 945 HB2 ASN 118 2HB ASN 118 9.637 -16.300 7.142 946 HB3 ASN 118 1HB ASN 118 8.378 -15.665 8.182 947 HD21 ASN 118 1HD2 ASN 118 8.024 -17.694 9.109 948 HD22 ASN 118 2HD2 ASN 118 7.184 -18.943 8.247 949 H LEU 119 H LEU 119 6.793 -13.754 4.616 950 HA LEU 119 HA LEU 119 4.351 -14.384 5.964 951 HB2 LEU 119 2HB LEU 119 3.529 -12.159 6.087 952 HB3 LEU 119 1HB LEU 119 5.188 -12.080 6.621 953 HG LEU 119 HG LEU 119 4.928 -10.148 5.395 954 HD11 LEU 119 1HD1 LEU 119 6.215 -10.400 3.325 955 HD12 LEU 119 2HD1 LEU 119 5.962 -12.157 3.587 956 HD13 LEU 119 3HD1 LEU 119 6.908 -11.236 4.756 957 HD21 LEU 119 3HD2 LEU 119 2.742 -10.572 4.426 958 HD22 LEU 119 1HD2 LEU 119 3.455 -11.683 3.256 959 HD23 LEU 119 2HD2 LEU 119 3.851 -9.964 3.198 960 H LYS 120 H LYS 120 2.886 -14.813 4.783 961 HA LYS 120 HA LYS 120 2.975 -14.502 1.909 962 HB2 LYS 120 2HB LYS 120 2.029 -16.850 1.703 963 HB3 LYS 120 1HB LYS 120 3.714 -16.720 2.137 964 HG2 LYS 120 2HG LYS 120 3.292 -17.144 4.417 965 HG3 LYS 120 1HG LYS 120 1.548 -17.101 4.191 966 HD2 LYS 120 2HD LYS 120 3.327 -19.151 2.847 967 HD3 LYS 120 1HD LYS 120 2.633 -19.417 4.440 968 HE2 LYS 120 2HE LYS 120 1.182 -20.530 2.942 969 HE3 LYS 120 1HE LYS 120 0.357 -19.036 3.342 970 HZ1 LYS 120 3HZ LYS 120 1.002 -18.142 1.138 971 HZ2 LYS 120 1HZ LYS 120 0.225 -19.590 0.978 972 HZ3 LYS 120 2HZ LYS 120 1.880 -19.499 0.811 973 H VAL 121 H VAL 121 1.027 -13.710 1.082 974 HA VAL 121 HA VAL 121 -1.345 -14.264 2.632 975 HB VAL 121 HB VAL 121 -2.216 -12.099 2.401 976 HG11 VAL 121 1HG1 VAL 121 0.571 -11.805 3.465 977 HG12 VAL 121 2HG1 VAL 121 -0.875 -12.303 4.347 978 HG13 VAL 121 3HG1 VAL 121 -0.748 -10.656 3.723 979 HG21 VAL 121 3HG2 VAL 121 -1.399 -11.636 0.271 980 HG22 VAL 121 1HG2 VAL 121 0.232 -11.319 0.860 981 HG23 VAL 121 2HG2 VAL 121 -1.108 -10.222 1.314 982 H ASP 122 H ASP 122 -3.243 -13.600 1.256 983 HA ASP 122 HA ASP 122 -2.826 -14.665 -1.436 984 HB2 ASP 122 2HB ASP 122 -5.063 -15.422 -1.239 985 HB3 ASP 122 1HB ASP 122 -4.165 -15.826 0.243 986 H PHE 123 H PHE 123 -4.127 -13.661 -3.125 987 HA PHE 123 HA PHE 123 -5.798 -11.457 -2.475 988 HB2 PHE 123 2HB PHE 123 -3.538 -10.369 -2.573 989 HB3 PHE 123 1HB PHE 123 -3.396 -10.893 -4.245 990 HD1 PHE 123 2HD PHE 123 -5.946 -9.064 -2.107 991 HD2 PHE 123 1HD PHE 123 -3.785 -9.276 -5.804 992 HE1 PHE 123 2HE PHE 123 -7.053 -7.045 -2.877 993 HE2 PHE 123 1HE PHE 123 -4.910 -7.226 -6.555 994 HZ PHE 123 HZ PHE 123 -6.541 -6.116 -5.092 995 H MET 124 H MET 124 -7.002 -10.692 -4.321 996 HA MET 124 HA MET 124 -7.195 -12.598 -6.560 997 HB2 MET 124 2HB MET 124 -8.991 -12.671 -4.578 998 HB3 MET 124 1HB MET 124 -9.587 -11.214 -5.342 999 HG2 MET 124 2HG MET 124 -9.503 -14.001 -6.502 1000 HG3 MET 124 1HG MET 124 -10.920 -13.064 -6.063 1001 HE1 MET 124 3HE MET 124 -12.243 -13.272 -8.252 1002 HE2 MET 124 1HE MET 124 -11.056 -14.478 -8.750 1003 HE3 MET 124 2HE MET 124 -11.522 -13.184 -9.857 1004 H GLU 125 H GLU 125 -7.941 -11.425 -8.496 1005 HA GLU 125 HA GLU 125 -6.708 -8.884 -8.727 1006 HB2 GLU 125 2HB GLU 125 -8.544 -10.278 -10.675 1007 HB3 GLU 125 1HB GLU 125 -7.400 -8.991 -11.046 1008 HG2 GLU 125 2HG GLU 125 -5.557 -10.432 -10.399 1009 HG3 GLU 125 1HG GLU 125 -6.691 -11.713 -10.003 1010 H THR 126 H THR 126 -10.020 -9.920 -8.273 1011 HA THR 126 HA THR 126 -10.852 -7.234 -7.726 1012 HB THR 126 HB THR 126 -12.346 -8.916 -9.821 1013 HG1 THR 126 1HG THR 126 -10.158 -7.372 -10.071 1014 HG21 THR 126 3HG2 THR 126 -12.595 -6.005 -8.996 1015 HG22 THR 126 1HG2 THR 126 -13.787 -7.269 -8.698 1016 HG23 THR 126 2HG2 THR 126 -13.458 -6.736 -10.345 1017 H GLU 127 H GLU 127 -13.378 -7.624 -6.977 1018 HA GLU 127 HA GLU 127 -13.317 -9.813 -5.160 1019 HB2 GLU 127 2HB GLU 127 -15.387 -7.677 -5.743 1020 HB3 GLU 127 1HB GLU 127 -15.577 -8.909 -4.512 1021 HG2 GLU 127 2HG GLU 127 -14.927 -6.869 -3.455 1022 HG3 GLU 127 1HG GLU 127 -13.579 -7.989 -3.353 Start of MODEL 10 1 H1 CYS 1 1HT CYS 1 -24.245 -23.769 -9.116 2 H2 CYS 1 2HT CYS 1 -24.239 -22.178 -9.788 3 H3 CYS 1 3HT CYS 1 -24.357 -22.431 -8.107 4 HA CYS 1 HA CYS 1 -22.014 -23.225 -9.638 5 HB2 CYS 1 2HB CYS 1 -22.452 -20.830 -7.834 6 HB3 CYS 1 1HB CYS 1 -20.994 -21.211 -8.752 7 HG CYS 1 HG CYS 1 -21.963 -19.197 -10.245 8 H LYS 2 H LYS 2 -20.230 -23.700 -8.006 9 HA LYS 2 HA LYS 2 -20.901 -24.044 -5.278 10 HB2 LYS 2 2HB LYS 2 -22.019 -26.056 -6.378 11 HB3 LYS 2 1HB LYS 2 -20.441 -26.514 -6.992 12 HG2 LYS 2 2HG LYS 2 -19.630 -26.743 -4.664 13 HG3 LYS 2 1HG LYS 2 -21.247 -26.351 -4.086 14 HD2 LYS 2 2HD LYS 2 -20.990 -28.737 -4.028 15 HD3 LYS 2 1HD LYS 2 -22.097 -28.343 -5.340 16 HE2 LYS 2 2HE LYS 2 -20.539 -30.063 -6.051 17 HE3 LYS 2 1HE LYS 2 -20.233 -28.586 -6.951 18 HZ1 LYS 2 3HZ LYS 2 -18.674 -29.496 -4.585 19 HZ2 LYS 2 1HZ LYS 2 -18.328 -28.129 -5.509 20 HZ3 LYS 2 2HZ LYS 2 -18.177 -29.652 -6.190 21 H THR 3 H THR 3 -18.868 -24.807 -4.178 22 HA THR 3 HA THR 3 -16.553 -23.811 -5.366 23 HB THR 3 HB THR 3 -15.542 -25.094 -3.346 24 HG1 THR 3 1HG THR 3 -17.215 -25.602 -1.793 25 HG21 THR 3 3HG2 THR 3 -16.381 -23.387 -1.775 26 HG22 THR 3 1HG2 THR 3 -17.668 -22.980 -2.909 27 HG23 THR 3 2HG2 THR 3 -15.987 -22.668 -3.337 28 H LYS 4 H LYS 4 -14.837 -24.906 -6.277 29 HA LYS 4 HA LYS 4 -14.819 -27.787 -6.546 30 HB2 LYS 4 2HB LYS 4 -16.404 -26.818 -8.377 31 HB3 LYS 4 1HB LYS 4 -14.965 -26.143 -9.100 32 HG2 LYS 4 2HG LYS 4 -15.597 -29.098 -8.741 33 HG3 LYS 4 1HG LYS 4 -15.643 -28.200 -10.248 34 HD2 LYS 4 2HD LYS 4 -13.166 -28.788 -8.599 35 HD3 LYS 4 1HD LYS 4 -13.639 -29.634 -10.069 36 HE2 LYS 4 2HE LYS 4 -13.231 -27.708 -11.407 37 HE3 LYS 4 1HE LYS 4 -13.133 -26.669 -9.985 38 HZ1 LYS 4 3HZ LYS 4 -11.127 -28.721 -10.835 39 HZ2 LYS 4 1HZ LYS 4 -11.135 -27.956 -9.326 40 HZ3 LYS 4 2HZ LYS 4 -10.897 -27.039 -10.676 41 H ASP 5 H ASP 5 -13.556 -24.599 -7.556 42 HA ASP 5 HA ASP 5 -10.837 -25.749 -7.569 43 HB2 ASP 5 2HB ASP 5 -12.057 -25.063 -9.869 44 HB3 ASP 5 1HB ASP 5 -11.580 -23.468 -9.320 45 H TYR 6 H TYR 6 -9.222 -24.264 -7.156 46 HA TYR 6 HA TYR 6 -9.976 -21.831 -5.914 47 HB2 TYR 6 2HB TYR 6 -10.423 -23.545 -4.170 48 HB3 TYR 6 1HB TYR 6 -8.712 -23.984 -4.260 49 HD1 TYR 6 1HD TYR 6 -10.902 -21.113 -3.728 50 HD2 TYR 6 2HD TYR 6 -7.225 -22.945 -2.855 51 HE1 TYR 6 1HE TYR 6 -10.422 -19.294 -2.080 52 HE2 TYR 6 2HE TYR 6 -6.683 -21.167 -1.204 53 HH TYR 6 HH TYR 6 -7.333 -18.824 -0.714 54 H LYS 7 H LYS 7 -8.673 -21.181 -7.544 55 HA LYS 7 HA LYS 7 -5.850 -21.321 -6.820 56 HB2 LYS 7 2HB LYS 7 -6.917 -21.284 -9.654 57 HB3 LYS 7 1HB LYS 7 -5.238 -20.959 -9.253 58 HG2 LYS 7 2HG LYS 7 -5.123 -23.241 -8.224 59 HG3 LYS 7 1HG LYS 7 -6.746 -23.541 -8.844 60 HD2 LYS 7 2HD LYS 7 -4.365 -22.802 -10.559 61 HD3 LYS 7 1HD LYS 7 -4.916 -24.450 -10.285 62 HE2 LYS 7 2HE LYS 7 -6.578 -22.259 -11.544 63 HE3 LYS 7 1HE LYS 7 -5.684 -23.480 -12.439 64 HZ1 LYS 7 3HZ LYS 7 -8.015 -24.114 -12.200 65 HZ2 LYS 7 1HZ LYS 7 -7.918 -23.997 -10.537 66 HZ3 LYS 7 2HZ LYS 7 -7.069 -25.189 -11.310 67 H THR 8 H THR 8 -6.197 -19.578 -5.570 68 HA THR 8 HA THR 8 -6.892 -17.082 -6.880 69 HB THR 8 HB THR 8 -7.894 -17.818 -4.554 70 HG1 THR 8 1HG THR 8 -7.346 -15.445 -3.838 71 HG21 THR 8 3HG2 THR 8 -5.666 -18.390 -3.521 72 HG22 THR 8 1HG2 THR 8 -6.557 -17.159 -2.591 73 HG23 THR 8 2HG2 THR 8 -5.254 -16.674 -3.677 74 H ARG 9 H ARG 9 -5.350 -15.270 -5.474 75 HA ARG 9 HA ARG 9 -2.670 -15.985 -6.430 76 HB2 ARG 9 2HB ARG 9 -3.825 -13.438 -5.519 77 HB3 ARG 9 1HB ARG 9 -2.214 -13.589 -6.253 78 HG2 ARG 9 2HG ARG 9 -4.920 -13.952 -7.510 79 HG3 ARG 9 1HG ARG 9 -3.688 -12.733 -7.905 80 HD2 ARG 9 2HD ARG 9 -2.314 -14.340 -8.968 81 HD3 ARG 9 1HD ARG 9 -3.211 -15.693 -8.278 82 HE ARG 9 HE ARG 9 -4.143 -13.913 -10.429 83 HH11 ARG 9 1HH1 ARG 9 -4.364 -17.014 -8.698 84 HH12 ARG 9 2HH1 ARG 9 -5.634 -17.615 -9.643 85 HH21 ARG 9 1HH2 ARG 9 -5.839 -14.695 -11.721 86 HH22 ARG 9 2HH2 ARG 9 -6.482 -16.250 -11.517 87 H ASP 10 H ASP 10 -0.938 -15.658 -5.167 88 HA ASP 10 HA ASP 10 -1.409 -15.581 -2.237 89 HB2 ASP 10 2HB ASP 10 -0.312 -17.657 -3.648 90 HB3 ASP 10 1HB ASP 10 1.099 -16.737 -3.246 91 H VAL 11 H VAL 11 -1.023 -13.541 -2.063 92 HA VAL 11 HA VAL 11 1.154 -12.366 -3.579 93 HB VAL 11 HB VAL 11 0.565 -10.161 -2.496 94 HG11 VAL 11 1HG1 VAL 11 -1.418 -9.824 -3.828 95 HG12 VAL 11 2HG1 VAL 11 -1.527 -11.577 -4.111 96 HG13 VAL 11 3HG1 VAL 11 -0.136 -10.651 -4.708 97 HG21 VAL 11 3HG2 VAL 11 -1.619 -9.968 -1.451 98 HG22 VAL 11 1HG2 VAL 11 -0.501 -11.035 -0.590 99 HG23 VAL 11 2HG2 VAL 11 -1.797 -11.745 -1.563 100 H THR 12 H THR 12 2.735 -13.416 -2.719 101 HA THR 12 HA THR 12 3.380 -12.504 -0.048 102 HB THR 12 HB THR 12 5.117 -13.898 0.125 103 HG1 THR 12 1HG THR 12 4.781 -15.378 -2.221 104 HG21 THR 12 3HG2 THR 12 3.004 -15.496 -1.283 105 HG22 THR 12 1HG2 THR 12 2.800 -14.638 0.245 106 HG23 THR 12 2HG2 THR 12 3.977 -15.957 0.134 107 H ASP 13 H ASP 13 5.197 -12.511 -3.122 108 HA ASP 13 HA ASP 13 6.859 -10.581 -1.844 109 HB2 ASP 13 2HB ASP 13 7.877 -12.326 -3.374 110 HB3 ASP 13 1HB ASP 13 7.211 -11.417 -4.731 111 H ASP 14 H ASP 14 4.013 -10.401 -3.671 112 HA ASP 14 HA ASP 14 4.315 -7.790 -4.740 113 HB2 ASP 14 2HB ASP 14 1.843 -8.961 -3.424 114 HB3 ASP 14 1HB ASP 14 1.886 -7.657 -4.597 115 H VAL 15 H VAL 15 3.221 -9.163 -1.788 116 HA VAL 15 HA VAL 15 2.821 -6.826 -0.281 117 HB VAL 15 HB VAL 15 3.235 -9.743 0.532 118 HG11 VAL 15 1HG1 VAL 15 3.862 -8.214 2.403 119 HG12 VAL 15 2HG1 VAL 15 2.345 -9.053 2.740 120 HG13 VAL 15 3HG1 VAL 15 2.325 -7.371 2.216 121 HG21 VAL 15 3HG2 VAL 15 0.798 -7.961 0.334 122 HG22 VAL 15 1HG2 VAL 15 0.804 -9.629 0.897 123 HG23 VAL 15 2HG2 VAL 15 1.218 -9.260 -0.773 124 H LYS 16 H LYS 16 5.513 -9.082 -0.553 125 HA LYS 16 HA LYS 16 7.158 -7.763 1.296 126 HB2 LYS 16 2HB LYS 16 7.531 -10.083 0.481 127 HB3 LYS 16 1HB LYS 16 8.083 -9.380 -1.029 128 HG2 LYS 16 2HG LYS 16 10.049 -8.694 -0.232 129 HG3 LYS 16 1HG LYS 16 9.396 -8.301 1.357 130 HD2 LYS 16 2HD LYS 16 9.875 -11.081 0.343 131 HD3 LYS 16 1HD LYS 16 11.005 -10.173 1.373 132 HE2 LYS 16 2HE LYS 16 9.115 -9.944 3.034 133 HE3 LYS 16 1HE LYS 16 8.194 -11.040 2.039 134 HZ1 LYS 16 3HZ LYS 16 10.823 -11.750 3.195 135 HZ2 LYS 16 1HZ LYS 16 9.745 -12.797 2.409 136 HZ3 LYS 16 2HZ LYS 16 9.366 -12.097 3.928 137 H SER 17 H SER 17 6.862 -7.351 -2.225 138 HA SER 17 HA SER 17 8.864 -5.484 -2.592 139 HB2 SER 17 2HB SER 17 6.141 -5.631 -3.922 140 HB3 SER 17 1HB SER 17 7.456 -4.579 -4.448 141 HG SER 17 HG SER 17 7.380 -7.415 -4.435 142 H ILE 18 H ILE 18 5.532 -4.999 -1.571 143 HA ILE 18 HA ILE 18 5.543 -2.242 -1.319 144 HB ILE 18 HB ILE 18 4.105 -4.333 0.312 145 HG12 ILE 18 2HG1 ILE 18 3.128 -2.565 -1.947 146 HG13 ILE 18 1HG1 ILE 18 3.595 -4.252 -2.120 147 HG21 ILE 18 1HG2 ILE 18 2.581 -2.480 0.974 148 HG22 ILE 18 2HG2 ILE 18 3.796 -1.357 0.274 149 HG23 ILE 18 3HG2 ILE 18 4.233 -2.409 1.623 150 HD11 ILE 18 3HD1 ILE 18 1.766 -4.899 -0.624 151 HD12 ILE 18 1HD1 ILE 18 1.182 -4.006 -2.028 152 HD13 ILE 18 2HD1 ILE 18 1.308 -3.205 -0.463 153 H VAL 19 H VAL 19 6.193 -4.643 1.194 154 HA VAL 19 HA VAL 19 6.933 -2.858 3.218 155 HB VAL 19 HB VAL 19 7.715 -5.723 2.782 156 HG11 VAL 19 1HG1 VAL 19 9.289 -4.629 4.366 157 HG12 VAL 19 2HG1 VAL 19 8.231 -5.756 5.227 158 HG13 VAL 19 3HG1 VAL 19 7.913 -4.019 5.285 159 HG21 VAL 19 3HG2 VAL 19 5.376 -5.347 2.977 160 HG22 VAL 19 1HG2 VAL 19 5.662 -4.397 4.449 161 HG23 VAL 19 2HG2 VAL 19 5.997 -6.157 4.433 162 H ARG 20 H ARG 20 8.864 -4.556 0.864 163 HA ARG 20 HA ARG 20 11.403 -3.876 1.760 164 HB2 ARG 20 2HB ARG 20 10.920 -5.663 0.176 165 HB3 ARG 20 1HB ARG 20 10.361 -4.504 -1.002 166 HG2 ARG 20 2HG ARG 20 12.559 -3.771 -1.450 167 HG3 ARG 20 1HG ARG 20 13.200 -4.596 -0.021 168 HD2 ARG 20 2HD ARG 20 13.675 -5.843 -2.117 169 HD3 ARG 20 1HD ARG 20 12.697 -6.765 -0.982 170 HE ARG 20 HE ARG 20 11.447 -5.326 -3.224 171 HH11 ARG 20 1HH1 ARG 20 11.993 -8.471 -1.550 172 HH12 ARG 20 2HH1 ARG 20 10.864 -9.284 -2.563 173 HH21 ARG 20 1HH2 ARG 20 9.942 -6.679 -4.619 174 HH22 ARG 20 2HH2 ARG 20 9.815 -8.309 -4.255 175 H PHE 21 H PHE 21 9.148 -2.109 -0.273 176 HA PHE 21 HA PHE 21 11.136 -0.073 -0.753 177 HB2 PHE 21 2HB PHE 21 8.444 -0.579 -1.881 178 HB3 PHE 21 1HB PHE 21 9.271 0.958 -2.160 179 HD1 PHE 21 2HD PHE 21 11.503 0.970 -3.113 180 HD2 PHE 21 1HD PHE 21 9.143 -2.484 -3.033 181 HE1 PHE 21 2HE PHE 21 12.981 -0.035 -4.850 182 HE2 PHE 21 1HE PHE 21 10.585 -3.557 -4.761 183 HZ PHE 21 HZ PHE 21 12.511 -2.314 -5.668 184 H VAL 22 H VAL 22 8.334 -0.437 1.253 185 HA VAL 22 HA VAL 22 8.496 2.335 1.784 186 HB VAL 22 HB VAL 22 6.971 1.877 3.747 187 HG11 VAL 22 1HG1 VAL 22 5.010 1.271 2.379 188 HG12 VAL 22 2HG1 VAL 22 6.086 0.733 1.091 189 HG13 VAL 22 3HG1 VAL 22 6.040 2.436 1.546 190 HG21 VAL 22 3HG2 VAL 22 7.122 -0.886 2.650 191 HG22 VAL 22 1HG2 VAL 22 6.013 -0.388 3.947 192 HG23 VAL 22 2HG2 VAL 22 7.788 -0.353 4.187 193 H GLN 23 H GLN 23 9.823 -0.623 3.082 194 HA GLN 23 HA GLN 23 11.170 0.406 5.350 195 HB2 GLN 23 2HB GLN 23 10.923 -2.021 4.642 196 HB3 GLN 23 1HB GLN 23 12.254 -1.705 3.534 197 HG2 GLN 23 2HG GLN 23 13.467 -0.796 5.609 198 HG3 GLN 23 1HG GLN 23 12.252 -1.702 6.512 199 HE21 GLN 23 1HE2 GLN 23 14.788 -1.805 4.364 200 HE22 GLN 23 2HE2 GLN 23 15.210 -3.501 4.512 201 H GLU 24 H GLU 24 12.448 0.102 1.956 202 HA GLU 24 HA GLU 24 14.727 1.476 2.888 203 HB2 GLU 24 2HB GLU 24 15.543 1.548 0.487 204 HB3 GLU 24 1HB GLU 24 15.283 -0.038 1.164 205 HG2 GLU 24 2HG GLU 24 14.552 -0.112 -1.078 206 HG3 GLU 24 1HG GLU 24 13.106 -0.095 -0.080 207 H HIS 25 H HIS 25 11.779 2.597 1.752 208 HA HIS 25 HA HIS 25 12.803 5.243 1.304 209 HB2 HIS 25 2HB HIS 25 10.052 4.106 1.478 210 HB3 HIS 25 1HB HIS 25 10.241 5.825 1.799 211 HD1 HIS 25 1HD HIS 25 11.531 3.472 -0.968 212 HD2 HIS 25 2HD HIS 25 9.809 7.225 -0.443 213 HE1 HIS 25 1HE HIS 25 11.272 4.404 -3.251 214 HE2 HIS 25 2HE HIS 25 10.029 6.564 -2.956 215 H SER 26 H SER 26 11.499 3.501 4.038 216 HA SER 26 HA SER 26 11.409 3.922 6.253 217 HB2 SER 26 2HB SER 26 13.865 3.885 5.856 218 HB3 SER 26 1HB SER 26 13.843 5.627 5.600 219 HG SER 26 HG SER 26 13.069 5.830 7.738 220 H SER 27 H SER 27 9.614 5.362 4.910 221 HA SER 27 HA SER 27 8.215 7.095 4.821 222 HB2 SER 27 2HB SER 27 7.824 8.433 6.941 223 HB3 SER 27 1HB SER 27 7.765 6.691 7.160 224 HG SER 27 HG SER 27 10.268 7.453 7.590 225 H SER 28 H SER 28 11.105 7.555 4.041 226 HA SER 28 HA SER 28 10.793 10.387 3.556 227 HB2 SER 28 2HB SER 28 12.249 9.963 5.611 228 HB3 SER 28 1HB SER 28 13.353 9.096 4.552 229 HG SER 28 HG SER 28 12.583 11.815 4.239 230 H GLN 29 H GLN 29 13.490 10.319 2.439 231 HA GLN 29 HA GLN 29 14.688 9.890 0.623 232 HB2 GLN 29 2HB GLN 29 13.078 7.350 0.386 233 HB3 GLN 29 1HB GLN 29 14.367 7.784 -0.725 234 HG2 GLN 29 2HG GLN 29 14.610 7.255 2.227 235 HG3 GLN 29 1HG GLN 29 15.221 6.255 0.911 236 HE21 GLN 29 1HE2 GLN 29 16.652 7.428 3.095 237 HE22 GLN 29 2HE2 GLN 29 17.876 8.443 2.407 238 H GLY 30 H GLY 30 14.738 10.192 -1.565 239 HA2 GLY 30 2HA GLY 30 13.894 11.018 -3.581 240 HA3 GLY 30 1HA GLY 30 12.274 10.632 -3.004 241 H MET 31 H MET 31 14.616 12.520 -1.330 242 HA MET 31 HA MET 31 13.141 14.535 -0.260 243 HB2 MET 31 2HB MET 31 15.972 14.840 -1.246 244 HB3 MET 31 1HB MET 31 15.179 15.873 -0.077 245 HG2 MET 31 2HG MET 31 15.788 12.950 0.289 246 HG3 MET 31 1HG MET 31 16.719 14.286 0.955 247 HE1 MET 31 3HE MET 31 15.115 12.813 4.146 248 HE2 MET 31 1HE MET 31 16.600 13.373 3.374 249 HE3 MET 31 2HE MET 31 15.764 11.950 2.752 250 H ARG 32 H ARG 32 14.053 14.409 -3.572 251 HA ARG 32 HA ARG 32 13.901 17.218 -4.101 252 HB2 ARG 32 2HB ARG 32 13.761 14.870 -5.988 253 HB3 ARG 32 1HB ARG 32 13.823 16.547 -6.491 254 HG2 ARG 32 2HG ARG 32 16.037 16.766 -5.468 255 HG3 ARG 32 1HG ARG 32 15.964 15.073 -4.969 256 HD2 ARG 32 2HD ARG 32 15.772 14.387 -7.310 257 HD3 ARG 32 1HD ARG 32 15.831 16.072 -7.814 258 HE ARG 32 HE ARG 32 18.093 15.705 -6.351 259 HH11 ARG 32 1HH1 ARG 32 16.716 14.162 -9.218 260 HH12 ARG 32 2HH1 ARG 32 18.194 13.746 -9.937 261 HH21 ARG 32 1HH2 ARG 32 20.205 15.142 -7.322 262 HH22 ARG 32 2HH2 ARG 32 20.258 14.330 -8.808 263 H ASN 33 H ASN 33 11.613 14.546 -4.125 264 HA ASN 33 HA ASN 33 9.564 16.402 -5.127 265 HB2 ASN 33 2HB ASN 33 9.907 13.514 -5.962 266 HB3 ASN 33 1HB ASN 33 8.544 14.535 -6.398 267 HD21 ASN 33 1HD2 ASN 33 8.849 16.161 -7.930 268 HD22 ASN 33 2HD2 ASN 33 10.250 16.199 -8.943 269 H ILE 34 H ILE 34 9.812 13.082 -3.819 270 HA ILE 34 HA ILE 34 7.257 13.398 -2.637 271 HB ILE 34 HB ILE 34 7.711 11.237 -3.516 272 HG12 ILE 34 2HG1 ILE 34 7.761 11.001 -0.497 273 HG13 ILE 34 1HG1 ILE 34 6.323 11.284 -1.469 274 HG21 ILE 34 1HG2 ILE 34 10.069 11.205 -3.469 275 HG22 ILE 34 2HG2 ILE 34 9.476 9.760 -2.618 276 HG23 ILE 34 3HG2 ILE 34 10.059 11.170 -1.710 277 HD11 ILE 34 3HD1 ILE 34 6.488 8.956 -0.788 278 HD12 ILE 34 1HD1 ILE 34 8.066 8.828 -1.567 279 HD13 ILE 34 2HD1 ILE 34 6.623 9.109 -2.541 280 H LYS 35 H LYS 35 7.050 14.574 -1.203 281 HA LYS 35 HA LYS 35 7.102 15.782 0.679 282 HB2 LYS 35 2HB LYS 35 8.520 13.412 1.915 283 HB3 LYS 35 1HB LYS 35 7.782 14.736 2.807 284 HG2 LYS 35 2HG LYS 35 5.601 14.090 1.713 285 HG3 LYS 35 1HG LYS 35 6.420 12.647 1.134 286 HD2 LYS 35 2HD LYS 35 6.032 13.442 4.025 287 HD3 LYS 35 1HD LYS 35 5.115 12.215 3.170 288 HE2 LYS 35 2HE LYS 35 6.660 10.990 4.423 289 HE3 LYS 35 1HE LYS 35 7.391 11.057 2.825 290 HZ1 LYS 35 3HZ LYS 35 8.946 12.722 3.601 291 HZ2 LYS 35 1HZ LYS 35 8.904 11.442 4.702 292 HZ3 LYS 35 2HZ LYS 35 8.111 12.887 5.059 293 H HIS 36 H HIS 36 8.346 17.205 -0.400 294 HA HIS 36 HA HIS 36 11.206 17.305 -0.196 295 HB2 HIS 36 2HB HIS 36 9.860 18.237 -2.100 296 HB3 HIS 36 1HB HIS 36 9.231 19.464 -1.014 297 HD1 HIS 36 1HD HIS 36 12.644 18.301 -2.195 298 HD2 HIS 36 2HD HIS 36 10.628 21.786 -1.195 299 HE1 HIS 36 1HE HIS 36 14.254 20.175 -2.690 300 HE2 HIS 36 2HE HIS 36 13.082 22.243 -1.860 301 H VAL 37 H VAL 37 10.005 17.051 2.265 302 HA VAL 37 HA VAL 37 10.885 19.433 3.701 303 HB VAL 37 HB VAL 37 8.399 19.376 3.560 304 HG11 VAL 37 1HG1 VAL 37 8.615 16.716 4.909 305 HG12 VAL 37 2HG1 VAL 37 7.911 17.096 3.339 306 HG13 VAL 37 3HG1 VAL 37 7.126 17.656 4.815 307 HG21 VAL 37 3HG2 VAL 37 9.446 18.899 6.355 308 HG22 VAL 37 1HG2 VAL 37 7.882 19.618 5.969 309 HG23 VAL 37 2HG2 VAL 37 9.371 20.445 5.512 310 H GLY 38 H GLY 38 11.572 16.447 2.903 311 HA2 GLY 38 2HA GLY 38 13.266 15.165 3.777 312 HA3 GLY 38 1HA GLY 38 13.052 15.964 5.327 313 HA PRO 39 HA PRO 39 11.333 11.827 6.065 314 HB2 PRO 39 2HB PRO 39 11.625 11.908 8.778 315 HB3 PRO 39 1HB PRO 39 12.963 11.487 7.687 316 HG2 PRO 39 2HG PRO 39 12.415 14.054 9.064 317 HG3 PRO 39 1HG PRO 39 13.961 13.243 8.749 318 HD2 PRO 39 2HD PRO 39 13.056 15.340 7.283 319 HD3 PRO 39 1HD PRO 39 14.138 14.089 6.637 320 H SER 40 H SER 40 10.512 14.924 7.351 321 HA SER 40 HA SER 40 8.360 14.562 8.953 322 HB2 SER 40 2HB SER 40 8.527 16.723 6.876 323 HB3 SER 40 1HB SER 40 7.966 16.826 8.543 324 HG SER 40 HG SER 40 10.406 17.279 7.628 325 H GLY 41 H GLY 41 6.295 13.950 8.647 326 HA2 GLY 41 2HA GLY 41 4.238 13.896 7.436 327 HA3 GLY 41 1HA GLY 41 5.165 13.880 5.937 328 H ARG 42 H ARG 42 3.534 11.946 5.685 329 HA ARG 42 HA ARG 42 4.973 9.534 6.236 330 HB2 ARG 42 2HB ARG 42 2.072 9.767 7.074 331 HB3 ARG 42 1HB ARG 42 3.092 8.357 7.208 332 HG2 ARG 42 2HG ARG 42 4.419 9.631 8.942 333 HG3 ARG 42 1HG ARG 42 3.142 10.858 8.885 334 HD2 ARG 42 2HD ARG 42 1.543 8.894 9.171 335 HD3 ARG 42 1HD ARG 42 2.961 7.989 9.681 336 HE ARG 42 HE ARG 42 2.673 10.412 11.133 337 HH11 ARG 42 1HH1 ARG 42 1.832 6.977 11.120 338 HH12 ARG 42 2HH1 ARG 42 0.833 7.115 12.526 339 HH21 ARG 42 1HH2 ARG 42 1.268 10.436 13.235 340 HH22 ARG 42 2HH2 ARG 42 0.526 8.940 13.618 341 H PHE 43 H PHE 43 3.204 7.783 5.279 342 HA PHE 43 HA PHE 43 2.225 8.897 2.708 343 HB2 PHE 43 2HB PHE 43 2.954 6.034 3.362 344 HB3 PHE 43 1HB PHE 43 2.601 6.719 1.779 345 HD1 PHE 43 1HD PHE 43 4.228 9.145 1.779 346 HD2 PHE 43 2HD PHE 43 5.148 5.254 3.226 347 HE1 PHE 43 1HE PHE 43 6.581 9.614 1.466 348 HE2 PHE 43 2HE PHE 43 7.547 5.705 2.900 349 HZ PHE 43 HZ PHE 43 8.278 7.888 2.017 350 H THR 44 H THR 44 0.281 7.929 1.952 351 HA THR 44 HA THR 44 -1.398 6.930 4.148 352 HB THR 44 HB THR 44 -3.326 8.035 2.962 353 HG1 THR 44 1HG THR 44 -1.925 9.831 1.556 354 HG21 THR 44 3HG2 THR 44 -1.114 9.968 3.712 355 HG22 THR 44 1HG2 THR 44 -2.268 9.246 4.830 356 HG23 THR 44 2HG2 THR 44 -2.831 10.366 3.604 357 H MET 45 H MET 45 -2.986 5.279 3.411 358 HA MET 45 HA MET 45 -2.037 3.459 1.669 359 HB2 MET 45 2HB MET 45 -4.328 2.482 1.442 360 HB3 MET 45 1HB MET 45 -3.931 2.883 3.102 361 HG2 MET 45 2HG MET 45 -5.411 4.706 3.145 362 HG3 MET 45 1HG MET 45 -5.483 4.802 1.394 363 HE1 MET 45 3HE MET 45 -5.914 1.592 3.700 364 HE2 MET 45 1HE MET 45 -7.663 1.588 3.923 365 HE3 MET 45 2HE MET 45 -6.688 2.890 4.606 366 H ASN 46 H ASN 46 -4.131 6.158 0.917 367 HA ASN 46 HA ASN 46 -4.730 5.505 -1.764 368 HB2 ASN 46 2HB ASN 46 -4.895 8.104 -0.268 369 HB3 ASN 46 1HB ASN 46 -5.231 8.023 -1.993 370 HD21 ASN 46 1HD2 ASN 46 -6.407 7.258 1.203 371 HD22 ASN 46 2HD2 ASN 46 -7.940 6.692 0.654 372 H MET 47 H MET 47 -2.052 7.221 -0.339 373 HA MET 47 HA MET 47 -1.058 8.307 -2.774 374 HB2 MET 47 2HB MET 47 -0.473 9.262 -0.609 375 HB3 MET 47 1HB MET 47 0.252 7.747 -0.106 376 HG2 MET 47 2HG MET 47 1.960 8.015 -1.870 377 HG3 MET 47 1HG MET 47 1.251 9.575 -2.284 378 HE1 MET 47 3HE MET 47 1.933 11.676 0.961 379 HE2 MET 47 1HE MET 47 0.473 10.758 0.597 380 HE3 MET 47 2HE MET 47 1.267 11.689 -0.671 381 H LEU 48 H LEU 48 -0.461 5.448 -0.832 382 HA LEU 48 HA LEU 48 1.739 4.527 -2.318 383 HB2 LEU 48 2HB LEU 48 -0.121 3.013 -0.508 384 HB3 LEU 48 1HB LEU 48 1.429 2.436 -1.085 385 HG LEU 48 HG LEU 48 0.985 4.794 0.751 386 HD11 LEU 48 1HD1 LEU 48 2.174 2.077 1.239 387 HD12 LEU 48 2HD1 LEU 48 0.616 2.668 1.821 388 HD13 LEU 48 3HD1 LEU 48 2.110 3.409 2.396 389 HD21 LEU 48 3HD2 LEU 48 2.854 5.222 -0.688 390 HD22 LEU 48 1HD2 LEU 48 3.534 3.620 -0.362 391 HD23 LEU 48 2HD2 LEU 48 3.436 4.821 0.928 392 H VAL 49 H VAL 49 -1.787 3.656 -2.506 393 HA VAL 49 HA VAL 49 -1.526 1.621 -4.322 394 HB VAL 49 HB VAL 49 -3.710 3.592 -3.663 395 HG11 VAL 49 1HG1 VAL 49 -3.822 1.021 -5.121 396 HG12 VAL 49 2HG1 VAL 49 -3.876 2.649 -5.831 397 HG13 VAL 49 3HG1 VAL 49 -5.199 2.107 -4.754 398 HG21 VAL 49 3HG2 VAL 49 -3.237 0.755 -2.857 399 HG22 VAL 49 1HG2 VAL 49 -4.621 1.760 -2.386 400 HG23 VAL 49 2HG2 VAL 49 -2.985 2.206 -1.867 401 H ASP 50 H ASP 50 -2.099 5.031 -4.607 402 HA ASP 50 HA ASP 50 -2.498 5.147 -7.419 403 HB2 ASP 50 2HB ASP 50 -3.044 6.928 -5.576 404 HB3 ASP 50 1HB ASP 50 -1.390 7.460 -5.807 405 H ILE 51 H ILE 51 0.370 5.484 -5.386 406 HA ILE 51 HA ILE 51 2.208 5.985 -7.537 407 HB ILE 51 HB ILE 51 2.110 6.479 -4.951 408 HG12 ILE 51 2HG1 ILE 51 4.700 6.134 -6.171 409 HG13 ILE 51 1HG1 ILE 51 3.655 7.174 -7.083 410 HG21 ILE 51 1HG2 ILE 51 3.956 5.257 -3.909 411 HG22 ILE 51 2HG2 ILE 51 3.956 4.258 -5.395 412 HG23 ILE 51 3HG2 ILE 51 2.548 4.223 -4.321 413 HD11 ILE 51 3HD1 ILE 51 3.399 8.496 -4.939 414 HD12 ILE 51 1HD1 ILE 51 5.005 8.444 -5.727 415 HD13 ILE 51 2HD1 ILE 51 4.666 7.426 -4.298 416 H PHE 52 H PHE 52 1.363 3.231 -5.776 417 HA PHE 52 HA PHE 52 3.249 1.434 -6.824 418 HB2 PHE 52 2HB PHE 52 1.635 0.840 -5.035 419 HB3 PHE 52 1HB PHE 52 0.344 0.808 -6.223 420 HD1 PHE 52 1HD PHE 52 3.774 -0.683 -5.993 421 HD2 PHE 52 2HD PHE 52 -0.384 -1.320 -6.655 422 HE1 PHE 52 1HE PHE 52 4.195 -3.086 -6.301 423 HE2 PHE 52 2HE PHE 52 0.032 -3.721 -6.977 424 HZ PHE 52 HZ PHE 52 2.323 -4.609 -6.796 425 H LEU 53 H LEU 53 0.229 2.488 -8.198 426 HA LEU 53 HA LEU 53 0.528 0.979 -10.626 427 HB2 LEU 53 2HB LEU 53 -1.464 2.834 -9.484 428 HB3 LEU 53 1HB LEU 53 -1.403 2.732 -11.227 429 HG LEU 53 HG LEU 53 -1.993 0.401 -11.185 430 HD11 LEU 53 1HD1 LEU 53 -2.600 -0.733 -9.138 431 HD12 LEU 53 2HD1 LEU 53 -1.812 0.533 -8.177 432 HD13 LEU 53 3HD1 LEU 53 -0.874 -0.482 -9.316 433 HD21 LEU 53 3HD2 LEU 53 -4.108 0.452 -10.066 434 HD22 LEU 53 1HD2 LEU 53 -3.846 1.880 -11.089 435 HD23 LEU 53 2HD2 LEU 53 -3.680 2.001 -9.324 436 H GLY 54 H GLY 54 1.350 4.187 -9.548 437 HA2 GLY 54 2HA GLY 54 2.754 5.743 -10.618 438 HA3 GLY 54 1HA GLY 54 2.710 4.741 -12.072 439 H SER 55 H SER 55 0.081 5.859 -10.199 440 HA SER 55 HA SER 55 -1.544 6.513 -12.393 441 HB2 SER 55 2HB SER 55 -2.244 5.426 -10.295 442 HB3 SER 55 1HB SER 55 -1.823 6.874 -9.434 443 HG SER 55 HG SER 55 -3.807 7.070 -9.639 444 H LYS 56 H LYS 56 -2.956 8.597 -11.540 445 HA LYS 56 HA LYS 56 -1.953 10.796 -12.914 446 HB2 LYS 56 2HB LYS 56 -3.899 11.183 -10.637 447 HB3 LYS 56 1HB LYS 56 -3.683 12.180 -12.041 448 HG2 LYS 56 2HG LYS 56 -5.664 11.127 -12.495 449 HG3 LYS 56 1HG LYS 56 -4.515 10.119 -13.360 450 HD2 LYS 56 2HD LYS 56 -6.156 8.738 -12.219 451 HD3 LYS 56 1HD LYS 56 -4.593 8.467 -11.486 452 HE2 LYS 56 2HE LYS 56 -6.613 10.393 -10.314 453 HE3 LYS 56 1HE LYS 56 -6.656 8.678 -9.950 454 HZ1 LYS 56 3HZ LYS 56 -4.449 8.881 -8.888 455 HZ2 LYS 56 1HZ LYS 56 -5.529 9.935 -8.222 456 HZ3 LYS 56 2HZ LYS 56 -4.363 10.528 -9.224 457 H SER 57 H SER 57 -2.359 10.729 -9.368 458 HA SER 57 HA SER 57 -0.982 13.199 -9.093 459 HB2 SER 57 2HB SER 57 -1.641 12.307 -6.604 460 HB3 SER 57 1HB SER 57 -2.722 13.223 -7.663 461 HG SER 57 HG SER 57 -2.540 10.379 -7.435 462 H ALA 58 H ALA 58 -0.522 9.812 -8.098 463 HA ALA 58 HA ALA 58 2.133 10.502 -7.216 464 HB1 ALA 58 1HB ALA 58 2.266 8.225 -6.527 465 HB2 ALA 58 2HB ALA 58 0.714 7.863 -7.260 466 HB3 ALA 58 3HB ALA 58 0.805 8.950 -5.856 467 H LYS 59 H LYS 59 2.797 11.179 -9.184 468 HA LYS 59 HA LYS 59 2.714 9.586 -11.531 469 HB2 LYS 59 2HB LYS 59 2.799 12.131 -11.399 470 HB3 LYS 59 1HB LYS 59 4.505 11.973 -11.037 471 HG2 LYS 59 2HG LYS 59 4.540 12.400 -13.314 472 HG3 LYS 59 1HG LYS 59 4.603 10.645 -13.280 473 HD2 LYS 59 2HD LYS 59 2.166 12.367 -13.841 474 HD3 LYS 59 1HD LYS 59 3.063 11.417 -15.010 475 HE2 LYS 59 2HE LYS 59 1.363 10.375 -12.732 476 HE3 LYS 59 1HE LYS 59 0.989 10.320 -14.441 477 HZ1 LYS 59 3HZ LYS 59 3.293 8.911 -13.208 478 HZ2 LYS 59 1HZ LYS 59 2.770 8.763 -14.809 479 HZ3 LYS 59 2HZ LYS 59 1.813 8.188 -13.530 480 H ILE 60 H ILE 60 3.974 8.345 -9.255 481 HA ILE 60 HA ILE 60 5.521 6.810 -8.797 482 HB ILE 60 HB ILE 60 6.729 7.862 -11.236 483 HG12 ILE 60 2HG1 ILE 60 5.419 5.186 -10.723 484 HG13 ILE 60 1HG1 ILE 60 4.732 6.539 -11.613 485 HG21 ILE 60 1HG2 ILE 60 8.496 7.067 -9.742 486 HG22 ILE 60 2HG2 ILE 60 8.389 5.876 -11.069 487 HG23 ILE 60 3HG2 ILE 60 7.626 5.572 -9.487 488 HD11 ILE 60 3HD1 ILE 60 6.496 6.283 -13.308 489 HD12 ILE 60 1HD1 ILE 60 5.497 4.835 -13.141 490 HD13 ILE 60 2HD1 ILE 60 7.107 4.884 -12.422 491 H GLN 61 H GLN 61 6.913 6.980 -7.182 492 HA GLN 61 HA GLN 61 8.774 9.046 -7.355 493 HB2 GLN 61 2HB GLN 61 6.821 8.964 -5.083 494 HB3 GLN 61 1HB GLN 61 8.402 9.690 -4.845 495 HG2 GLN 61 2HG GLN 61 7.964 11.479 -6.172 496 HG3 GLN 61 1HG GLN 61 6.937 10.560 -7.259 497 HE21 GLN 61 1HE2 GLN 61 4.789 10.433 -6.850 498 HE22 GLN 61 2HE2 GLN 61 3.974 11.430 -5.687 499 H SER 62 H SER 62 9.811 7.046 -7.906 500 HA SER 62 HA SER 62 11.584 5.683 -7.688 501 HB2 SER 62 2HB SER 62 12.527 7.504 -6.235 502 HB3 SER 62 1HB SER 62 11.863 6.670 -4.831 503 HG SER 62 HG SER 62 13.494 5.286 -4.918 504 H GLY 63 H GLY 63 11.881 3.522 -7.341 505 HA2 GLY 63 2HA GLY 63 11.741 1.519 -6.099 506 HA3 GLY 63 1HA GLY 63 10.478 2.241 -5.118 507 H ILE 64 H ILE 64 8.935 0.680 -5.329 508 HA ILE 64 HA ILE 64 8.160 -0.528 -7.825 509 HB ILE 64 HB ILE 64 6.048 -1.135 -6.557 510 HG12 ILE 64 2HG1 ILE 64 7.741 -0.366 -4.172 511 HG13 ILE 64 1HG1 ILE 64 6.364 0.557 -4.760 512 HG21 ILE 64 1HG2 ILE 64 8.687 -2.264 -5.756 513 HG22 ILE 64 2HG2 ILE 64 7.676 -2.646 -7.166 514 HG23 ILE 64 3HG2 ILE 64 7.091 -3.022 -5.544 515 HD11 ILE 64 3HD1 ILE 64 5.782 -0.798 -2.852 516 HD12 ILE 64 1HD1 ILE 64 6.282 -2.259 -3.714 517 HD13 ILE 64 2HD1 ILE 64 4.903 -1.309 -4.289 518 H PHE 65 H PHE 65 7.865 2.425 -7.039 519 HA PHE 65 HA PHE 65 5.121 2.881 -7.423 520 HB2 PHE 65 2HB PHE 65 7.332 5.069 -7.676 521 HB3 PHE 65 1HB PHE 65 5.639 5.186 -7.439 522 HD1 PHE 65 2HD PHE 65 6.989 2.556 -5.371 523 HD2 PHE 65 1HD PHE 65 6.372 6.735 -5.638 524 HE1 PHE 65 2HE PHE 65 7.309 2.729 -2.936 525 HE2 PHE 65 1HE PHE 65 6.738 6.929 -3.186 526 HZ PHE 65 HZ PHE 65 7.183 4.924 -1.842 527 H GLY 66 H GLY 66 4.154 2.588 -9.201 528 HA2 GLY 66 2HA GLY 66 3.666 2.485 -11.429 529 HA3 GLY 66 1HA GLY 66 5.192 3.299 -11.760 530 H LYS 67 H LYS 67 5.025 0.328 -9.837 531 HA LYS 67 HA LYS 67 6.034 -1.139 -12.178 532 HB2 LYS 67 2HB LYS 67 6.727 -1.616 -9.264 533 HB3 LYS 67 1HB LYS 67 7.366 -2.512 -10.635 534 HG2 LYS 67 2HG LYS 67 7.788 0.426 -10.138 535 HG3 LYS 67 1HG LYS 67 8.949 -0.842 -9.751 536 HD2 LYS 67 2HD LYS 67 9.384 -1.302 -11.999 537 HD3 LYS 67 1HD LYS 67 7.889 -0.548 -12.547 538 HE2 LYS 67 2HE LYS 67 10.222 0.929 -11.338 539 HE3 LYS 67 1HE LYS 67 9.887 0.802 -13.067 540 HZ1 LYS 67 3HZ LYS 67 8.950 2.869 -12.351 541 HZ2 LYS 67 1HZ LYS 67 8.178 2.154 -11.020 542 HZ3 LYS 67 2HZ LYS 67 7.664 1.787 -12.550 543 H GLY 68 H GLY 68 3.600 -0.826 -9.864 544 HA2 GLY 68 2HA GLY 68 2.737 -3.592 -10.295 545 HA3 GLY 68 1HA GLY 68 2.232 -2.562 -8.953 546 H SER 69 H SER 69 2.578 -1.588 -12.250 547 HA SER 69 HA SER 69 0.083 -0.271 -12.353 548 HB2 SER 69 2HB SER 69 1.994 -0.916 -14.591 549 HB3 SER 69 1HB SER 69 0.840 0.420 -14.509 550 HG SER 69 HG SER 69 2.040 1.424 -13.045 551 H ALA 70 H ALA 70 0.596 -3.455 -12.444 552 HA ALA 70 HA ALA 70 -1.267 -4.004 -14.589 553 HB1 ALA 70 1HB ALA 70 0.707 -5.474 -14.425 554 HB2 ALA 70 2HB ALA 70 -0.782 -6.388 -14.191 555 HB3 ALA 70 3HB ALA 70 0.210 -5.949 -12.800 556 H TYR 71 H TYR 71 -1.377 -3.072 -11.574 557 HA TYR 71 HA TYR 71 -3.839 -4.504 -10.900 558 HB2 TYR 71 2HB TYR 71 -1.953 -2.771 -9.318 559 HB3 TYR 71 1HB TYR 71 -3.539 -3.177 -8.729 560 HD1 TYR 71 2HD TYR 71 -0.404 -4.879 -9.970 561 HD2 TYR 71 1HD TYR 71 -3.796 -5.091 -7.407 562 HE1 TYR 71 2HE TYR 71 0.446 -7.000 -9.023 563 HE2 TYR 71 1HE TYR 71 -2.964 -7.195 -6.466 564 HH TYR 71 HH TYR 71 0.184 -8.501 -7.016 565 H SER 72 H SER 72 -5.692 -3.216 -10.513 566 HA SER 72 HA SER 72 -5.431 -0.469 -11.418 567 HB2 SER 72 2HB SER 72 -7.144 -1.864 -12.594 568 HB3 SER 72 1HB SER 72 -7.918 -2.190 -11.047 569 HG SER 72 HG SER 72 -8.385 -0.229 -12.672 570 H ARG 73 H ARG 73 -7.021 0.957 -10.072 571 HA ARG 73 HA ARG 73 -6.103 1.224 -7.445 572 HB2 ARG 73 2HB ARG 73 -8.608 2.196 -8.787 573 HB3 ARG 73 1HB ARG 73 -8.325 2.512 -7.088 574 HG2 ARG 73 2HG ARG 73 -6.442 3.341 -9.285 575 HG3 ARG 73 1HG ARG 73 -7.719 4.372 -8.638 576 HD2 ARG 73 2HD ARG 73 -5.374 3.223 -7.120 577 HD3 ARG 73 1HD ARG 73 -5.611 4.911 -7.566 578 HE ARG 73 HE ARG 73 -7.604 3.620 -5.806 579 HH11 ARG 73 1HH1 ARG 73 -4.986 6.010 -6.073 580 HH12 ARG 73 2HH1 ARG 73 -5.360 6.732 -4.577 581 HH21 ARG 73 1HH2 ARG 73 -8.098 4.543 -3.932 582 HH22 ARG 73 2HH2 ARG 73 -7.294 5.882 -3.254 583 H HIS 74 H HIS 74 -8.713 -0.533 -8.703 584 HA HIS 74 HA HIS 74 -10.176 -0.918 -6.262 585 HB2 HIS 74 2HB HIS 74 -10.965 -1.112 -8.763 586 HB3 HIS 74 1HB HIS 74 -10.415 -2.774 -8.623 587 HD1 HIS 74 1HD HIS 74 -12.927 -3.613 -8.951 588 HD2 HIS 74 2HD HIS 74 -12.259 -1.341 -5.532 589 HE1 HIS 74 1HE HIS 74 -15.051 -3.648 -7.709 590 HE2 HIS 74 2HE HIS 74 -14.170 -3.033 -5.505 591 H ASN 75 H ASN 75 -7.922 -2.861 -8.119 592 HA ASN 75 HA ASN 75 -7.952 -5.231 -6.548 593 HB2 ASN 75 2HB ASN 75 -5.697 -4.200 -8.282 594 HB3 ASN 75 1HB ASN 75 -6.045 -5.875 -7.871 595 HD21 ASN 75 1HD2 ASN 75 -7.532 -6.975 -9.093 596 HD22 ASN 75 2HD2 ASN 75 -8.328 -6.280 -10.451 597 H ALA 76 H ALA 76 -5.615 -2.584 -6.914 598 HA ALA 76 HA ALA 76 -3.787 -3.410 -4.989 599 HB1 ALA 76 1HB ALA 76 -4.410 -0.654 -6.007 600 HB2 ALA 76 2HB ALA 76 -3.179 -1.759 -6.636 601 HB3 ALA 76 3HB ALA 76 -3.008 -1.050 -5.023 602 H GLU 77 H GLU 77 -6.551 -1.166 -4.691 603 HA GLU 77 HA GLU 77 -6.058 -0.600 -2.015 604 HB2 GLU 77 2HB GLU 77 -8.566 -0.392 -3.637 605 HB3 GLU 77 1HB GLU 77 -8.526 0.024 -1.928 606 HG2 GLU 77 2HG GLU 77 -6.745 1.662 -2.409 607 HG3 GLU 77 1HG GLU 77 -6.905 1.264 -4.123 608 H ARG 78 H ARG 78 -7.709 -3.380 -3.453 609 HA ARG 78 HA ARG 78 -8.964 -4.082 -0.981 610 HB2 ARG 78 2HB ARG 78 -8.293 -5.802 -3.363 611 HB3 ARG 78 1HB ARG 78 -9.125 -6.399 -1.941 612 HG2 ARG 78 2HG ARG 78 -10.082 -4.341 -3.898 613 HG3 ARG 78 1HG ARG 78 -10.717 -5.965 -3.647 614 HD2 ARG 78 2HD ARG 78 -10.896 -3.594 -1.791 615 HD3 ARG 78 1HD ARG 78 -12.211 -4.431 -2.596 616 HE ARG 78 HE ARG 78 -10.611 -5.497 -0.375 617 HH11 ARG 78 1HH1 ARG 78 -13.439 -5.934 -2.399 618 HH12 ARG 78 2HH1 ARG 78 -14.477 -6.520 -1.214 619 HH21 ARG 78 1HH2 ARG 78 -11.989 -6.401 1.383 620 HH22 ARG 78 2HH2 ARG 78 -13.599 -6.829 1.031 621 H LEU 79 H LEU 79 -5.895 -4.540 -2.365 622 HA LEU 79 HA LEU 79 -5.094 -6.588 -0.547 623 HB2 LEU 79 2HB LEU 79 -4.275 -5.893 -2.882 624 HB3 LEU 79 1HB LEU 79 -3.207 -4.861 -1.950 625 HG LEU 79 HG LEU 79 -3.505 -7.760 -1.550 626 HD11 LEU 79 1HD1 LEU 79 -1.364 -7.809 -2.781 627 HD12 LEU 79 2HD1 LEU 79 -1.597 -6.014 -2.849 628 HD13 LEU 79 3HD1 LEU 79 -2.773 -7.100 -3.685 629 HD21 LEU 79 3HD2 LEU 79 -1.306 -7.635 -0.449 630 HD22 LEU 79 1HD2 LEU 79 -2.532 -6.669 0.371 631 HD23 LEU 79 2HD2 LEU 79 -1.326 -5.879 -0.653 632 H PHE 80 H PHE 80 -4.251 -3.139 -0.962 633 HA PHE 80 HA PHE 80 -2.633 -3.017 1.317 634 HB2 PHE 80 2HB PHE 80 -4.155 -0.874 -0.149 635 HB3 PHE 80 1HB PHE 80 -3.250 -0.498 1.309 636 HD1 PHE 80 1HD PHE 80 -2.983 -1.578 -2.198 637 HD2 PHE 80 2HD PHE 80 -0.863 -0.410 1.295 638 HE1 PHE 80 1HE PHE 80 -0.947 -1.276 -3.543 639 HE2 PHE 80 2HE PHE 80 1.179 -0.104 -0.042 640 HZ PHE 80 HZ PHE 80 1.135 -0.535 -2.468 641 H LYS 81 H LYS 81 -5.865 -3.250 0.960 642 HA LYS 81 HA LYS 81 -6.371 -2.238 3.656 643 HB2 LYS 81 2HB LYS 81 -8.347 -3.077 1.544 644 HB3 LYS 81 1HB LYS 81 -8.833 -2.597 3.174 645 HG2 LYS 81 2HG LYS 81 -7.941 -0.393 2.886 646 HG3 LYS 81 1HG LYS 81 -7.165 -0.844 1.376 647 HD2 LYS 81 2HD LYS 81 -9.486 -1.220 0.440 648 HD3 LYS 81 1HD LYS 81 -10.108 -0.464 1.914 649 HE2 LYS 81 2HE LYS 81 -8.896 1.574 1.449 650 HE3 LYS 81 1HE LYS 81 -8.092 0.835 0.073 651 HZ1 LYS 81 3HZ LYS 81 -9.765 2.127 -0.856 652 HZ2 LYS 81 1HZ LYS 81 -10.959 1.653 0.263 653 HZ3 LYS 81 2HZ LYS 81 -10.357 0.603 -0.928 654 H LYS 82 H LYS 82 -5.972 -5.217 1.959 655 HA LYS 82 HA LYS 82 -7.058 -6.844 4.058 656 HB2 LYS 82 2HB LYS 82 -6.728 -7.755 1.764 657 HB3 LYS 82 1HB LYS 82 -4.996 -7.495 1.919 658 HG2 LYS 82 2HG LYS 82 -5.083 -9.041 3.933 659 HG3 LYS 82 1HG LYS 82 -6.712 -9.466 3.410 660 HD2 LYS 82 2HD LYS 82 -5.859 -10.226 1.278 661 HD3 LYS 82 1HD LYS 82 -4.231 -9.713 1.722 662 HE2 LYS 82 2HE LYS 82 -4.318 -12.059 2.064 663 HE3 LYS 82 1HE LYS 82 -4.362 -11.315 3.658 664 HZ1 LYS 82 3HZ LYS 82 -6.819 -11.734 3.684 665 HZ2 LYS 82 1HZ LYS 82 -5.903 -13.143 3.420 666 HZ3 LYS 82 2HZ LYS 82 -6.612 -12.495 2.141 667 H LEU 83 H LEU 83 -3.991 -5.521 3.052 668 HA LEU 83 HA LEU 83 -2.227 -6.610 4.825 669 HB2 LEU 83 2HB LEU 83 -2.295 -3.839 3.769 670 HB3 LEU 83 1HB LEU 83 -0.930 -4.603 4.566 671 HG LEU 83 HG LEU 83 -2.217 -5.540 2.049 672 HD11 LEU 83 1HD1 LEU 83 -0.275 -4.769 0.950 673 HD12 LEU 83 2HD1 LEU 83 0.454 -4.395 2.536 674 HD13 LEU 83 3HD1 LEU 83 -0.920 -3.435 1.953 675 HD21 LEU 83 3HD2 LEU 83 -1.311 -7.417 3.216 676 HD22 LEU 83 1HD2 LEU 83 0.197 -6.541 3.523 677 HD23 LEU 83 2HD2 LEU 83 -0.243 -6.996 1.880 678 H ILE 84 H ILE 84 -4.116 -3.603 5.286 679 HA ILE 84 HA ILE 84 -3.088 -3.357 7.906 680 HB ILE 84 HB ILE 84 -4.590 -1.404 8.190 681 HG12 ILE 84 2HG1 ILE 84 -5.632 -0.543 5.941 682 HG13 ILE 84 1HG1 ILE 84 -5.586 -2.238 5.477 683 HG21 ILE 84 1HG2 ILE 84 -2.397 -1.084 7.340 684 HG22 ILE 84 2HG2 ILE 84 -3.490 -0.006 6.465 685 HG23 ILE 84 3HG2 ILE 84 -2.915 -1.487 5.707 686 HD11 ILE 84 3HD1 ILE 84 -7.784 -1.660 6.288 687 HD12 ILE 84 1HD1 ILE 84 -7.091 -1.062 7.802 688 HD13 ILE 84 2HD1 ILE 84 -6.993 -2.773 7.412 689 H LEU 85 H LEU 85 -5.851 -4.959 6.662 690 HA LEU 85 HA LEU 85 -7.109 -5.096 9.180 691 HB2 LEU 85 2HB LEU 85 -7.614 -6.449 6.585 692 HB3 LEU 85 1HB LEU 85 -8.440 -7.000 8.033 693 HG LEU 85 HG LEU 85 -8.416 -4.168 7.197 694 HD11 LEU 85 1HD1 LEU 85 -10.705 -4.607 6.209 695 HD12 LEU 85 2HD1 LEU 85 -10.483 -6.324 6.547 696 HD13 LEU 85 3HD1 LEU 85 -9.450 -5.517 5.369 697 HD21 LEU 85 3HD2 LEU 85 -10.482 -4.065 8.574 698 HD22 LEU 85 1HD2 LEU 85 -9.045 -4.520 9.485 699 HD23 LEU 85 2HD2 LEU 85 -10.216 -5.748 9.019 700 H ASP 86 H ASP 86 -5.029 -7.189 7.285 701 HA ASP 86 HA ASP 86 -5.183 -9.367 9.156 702 HB2 ASP 86 2HB ASP 86 -5.061 -9.862 6.754 703 HB3 ASP 86 1HB ASP 86 -3.509 -9.047 6.645 704 H LYS 87 H LYS 87 -3.160 -6.579 8.798 705 HA LYS 87 HA LYS 87 -1.997 -5.663 10.495 706 HB2 LYS 87 2HB LYS 87 -2.339 -8.264 11.749 707 HB3 LYS 87 1HB LYS 87 -0.894 -7.370 12.200 708 HG2 LYS 87 2HG LYS 87 -2.606 -6.754 13.694 709 HG3 LYS 87 1HG LYS 87 -2.290 -5.397 12.651 710 HD2 LYS 87 2HD LYS 87 -4.252 -6.364 11.219 711 HD3 LYS 87 1HD LYS 87 -4.682 -7.205 12.709 712 HE2 LYS 87 2HE LYS 87 -5.901 -5.137 12.610 713 HE3 LYS 87 1HE LYS 87 -4.677 -5.013 13.878 714 HZ1 LYS 87 3HZ LYS 87 -4.534 -2.974 12.575 715 HZ2 LYS 87 1HZ LYS 87 -4.489 -3.854 11.135 716 HZ3 LYS 87 2HZ LYS 87 -3.233 -3.868 12.241 717 H ILE 88 H ILE 88 -1.141 -7.300 8.088 718 HA ILE 88 HA ILE 88 1.641 -7.597 8.441 719 HB ILE 88 HB ILE 88 -0.123 -6.815 6.173 720 HG12 ILE 88 2HG1 ILE 88 1.009 -9.546 6.422 721 HG13 ILE 88 1HG1 ILE 88 -0.324 -9.070 7.477 722 HG21 ILE 88 1HG2 ILE 88 1.755 -7.678 4.693 723 HG22 ILE 88 2HG2 ILE 88 2.719 -7.958 6.141 724 HG23 ILE 88 3HG2 ILE 88 2.288 -6.315 5.676 725 HD11 ILE 88 3HD1 ILE 88 -0.350 -8.886 4.481 726 HD12 ILE 88 1HD1 ILE 88 -1.600 -8.440 5.652 727 HD13 ILE 88 2HD1 ILE 88 -1.130 -10.142 5.481 728 H LEU 89 H LEU 89 -0.576 -5.075 7.359 729 HA LEU 89 HA LEU 89 1.385 -2.970 7.938 730 HB2 LEU 89 2HB LEU 89 -0.832 -3.167 5.915 731 HB3 LEU 89 1HB LEU 89 -0.350 -1.616 6.532 732 HG LEU 89 HG LEU 89 0.637 -2.140 4.325 733 HD11 LEU 89 1HD1 LEU 89 1.633 -0.594 5.895 734 HD12 LEU 89 2HD1 LEU 89 2.855 -1.380 4.882 735 HD13 LEU 89 3HD1 LEU 89 2.617 -1.890 6.561 736 HD21 LEU 89 3HD2 LEU 89 2.472 -3.754 4.176 737 HD22 LEU 89 1HD2 LEU 89 0.972 -4.564 4.659 738 HD23 LEU 89 2HD2 LEU 89 2.179 -4.202 5.868 739 H ASP 90 H ASP 90 0.455 -1.065 8.916 740 HA ASP 90 HA ASP 90 -2.213 -1.245 9.964 741 HB2 ASP 90 2HB ASP 90 0.134 -1.702 11.625 742 HB3 ASP 90 1HB ASP 90 -0.805 -0.325 12.176 743 H GLU 91 H GLU 91 -2.935 0.550 9.201 744 HA GLU 91 HA GLU 91 -1.136 2.760 9.337 745 HB2 GLU 91 2HB GLU 91 -2.550 3.960 7.742 746 HB3 GLU 91 1HB GLU 91 -1.973 2.404 7.187 747 HG2 GLU 91 2HG GLU 91 -4.232 1.493 7.700 748 HG3 GLU 91 1HG GLU 91 -4.755 3.158 7.970 749 H ASP 92 H ASP 92 -1.980 4.896 9.693 750 HA ASP 92 HA ASP 92 -2.888 4.956 12.487 751 HB2 ASP 92 2HB ASP 92 -0.668 5.778 11.764 752 HB3 ASP 92 1HB ASP 92 -1.490 6.936 10.731 753 H LEU 93 H LEU 93 -4.933 5.549 12.729 754 HA LEU 93 HA LEU 93 -6.330 7.003 10.710 755 HB2 LEU 93 2HB LEU 93 -7.241 6.007 13.397 756 HB3 LEU 93 1HB LEU 93 -8.216 6.801 12.173 757 HG LEU 93 HG LEU 93 -8.666 4.496 12.201 758 HD11 LEU 93 1HD1 LEU 93 -7.088 5.197 9.738 759 HD12 LEU 93 2HD1 LEU 93 -8.790 5.536 10.036 760 HD13 LEU 93 3HD1 LEU 93 -8.244 3.870 9.846 761 HD21 LEU 93 3HD2 LEU 93 -6.664 3.542 13.134 762 HD22 LEU 93 1HD2 LEU 93 -5.749 3.952 11.681 763 HD23 LEU 93 2HD2 LEU 93 -7.023 2.737 11.608 764 H TYR 94 H TYR 94 -5.889 9.011 10.635 765 HA TYR 94 HA TYR 94 -5.626 10.607 13.060 766 HB2 TYR 94 2HB TYR 94 -3.777 10.844 11.494 767 HB3 TYR 94 1HB TYR 94 -4.894 11.143 10.171 768 HD1 TYR 94 2HD TYR 94 -3.561 12.560 13.326 769 HD2 TYR 94 1HD TYR 94 -5.669 13.316 9.713 770 HE1 TYR 94 2HE TYR 94 -3.409 14.979 13.755 771 HE2 TYR 94 1HE TYR 94 -5.522 15.744 10.127 772 HH TYR 94 HH TYR 94 -3.486 17.083 12.496 773 H ILE 95 H ILE 95 -7.508 11.480 13.678 774 HA ILE 95 HA ILE 95 -9.301 12.382 11.576 775 HB ILE 95 HB ILE 95 -9.965 10.201 12.702 776 HG12 ILE 95 2HG1 ILE 95 -11.884 12.450 13.161 777 HG13 ILE 95 1HG1 ILE 95 -11.583 11.701 11.593 778 HG21 ILE 95 1HG2 ILE 95 -10.409 12.031 15.004 779 HG22 ILE 95 2HG2 ILE 95 -9.278 10.638 14.961 780 HG23 ILE 95 3HG2 ILE 95 -11.053 10.406 14.865 781 HD11 ILE 95 3HD1 ILE 95 -13.527 10.722 12.501 782 HD12 ILE 95 1HD1 ILE 95 -12.693 10.401 14.043 783 HD13 ILE 95 2HD1 ILE 95 -12.194 9.546 12.581 784 H ASN 96 H ASN 96 -10.416 14.274 12.067 785 HA ASN 96 HA ASN 96 -9.228 15.809 14.262 786 HB2 ASN 96 2HB ASN 96 -9.926 17.820 13.118 787 HB3 ASN 96 1HB ASN 96 -9.181 16.778 11.918 788 HD21 ASN 96 1HD2 ASN 96 -10.995 18.966 11.500 789 HD22 ASN 96 2HD2 ASN 96 -12.390 18.323 10.718 790 H ALA 97 H ALA 97 -11.135 17.634 14.888 791 HA ALA 97 HA ALA 97 -12.944 16.069 16.470 792 HB1 ALA 97 1HB ALA 97 -11.841 18.082 17.334 793 HB2 ALA 97 2HB ALA 97 -13.598 18.204 17.439 794 HB3 ALA 97 3HB ALA 97 -12.729 19.061 16.167 795 H ASN 98 H ASN 98 -13.279 16.305 13.444 796 HA ASN 98 HA ASN 98 -16.136 17.088 13.392 797 HB2 ASN 98 2HB ASN 98 -14.107 16.998 11.180 798 HB3 ASN 98 1HB ASN 98 -15.816 17.257 10.920 799 HD21 ASN 98 1HD2 ASN 98 -15.464 19.200 9.929 800 HD22 ASN 98 2HD2 ASN 98 -15.000 20.635 10.788 801 H ASP 99 H ASP 99 -14.197 14.569 13.747 802 HA ASP 99 HA ASP 99 -14.103 12.421 13.289 803 HB2 ASP 99 2HB ASP 99 -17.035 12.874 12.694 804 HB3 ASP 99 1HB ASP 99 -16.316 11.277 12.537 805 H GLN 100 H GLN 100 -13.361 14.255 11.298 806 HA GLN 100 HA GLN 100 -13.793 12.773 8.806 807 HB2 GLN 100 2HB GLN 100 -12.357 15.388 9.304 808 HB3 GLN 100 1HB GLN 100 -12.611 14.649 7.725 809 HG2 GLN 100 2HG GLN 100 -15.010 14.967 7.950 810 HG3 GLN 100 1HG GLN 100 -14.792 15.624 9.569 811 HE21 GLN 100 1HE2 GLN 100 -12.652 16.342 6.897 812 HE22 GLN 100 2HE2 GLN 100 -13.125 17.998 6.729 813 H ALA 101 H ALA 101 -12.474 11.106 8.715 814 HA ALA 101 HA ALA 101 -9.820 11.288 9.941 815 HB1 ALA 101 1HB ALA 101 -11.365 8.833 9.168 816 HB2 ALA 101 2HB ALA 101 -11.306 9.541 10.779 817 HB3 ALA 101 3HB ALA 101 -9.839 8.888 10.050 818 H ILE 102 H ILE 102 -8.039 10.754 8.941 819 HA ILE 102 HA ILE 102 -8.161 9.618 6.285 820 HB ILE 102 HB ILE 102 -7.631 12.103 6.006 821 HG12 ILE 102 2HG1 ILE 102 -5.372 10.221 5.271 822 HG13 ILE 102 1HG1 ILE 102 -6.859 10.432 4.359 823 HG21 ILE 102 1HG2 ILE 102 -6.397 12.425 8.098 824 HG22 ILE 102 2HG2 ILE 102 -5.441 12.929 6.690 825 HG23 ILE 102 3HG2 ILE 102 -5.102 11.390 7.473 826 HD11 ILE 102 3HD1 ILE 102 -6.245 12.755 3.903 827 HD12 ILE 102 1HD1 ILE 102 -5.014 11.626 3.330 828 HD13 ILE 102 2HD1 ILE 102 -4.755 12.535 4.820 829 H ALA 103 H ALA 103 -6.433 8.128 5.938 830 HA ALA 103 HA ALA 103 -5.127 7.487 8.455 831 HB1 ALA 103 1HB ALA 103 -6.838 5.888 7.735 832 HB2 ALA 103 2HB ALA 103 -5.227 5.179 7.829 833 HB3 ALA 103 3HB ALA 103 -5.917 5.596 6.260 834 H TYR 104 H TYR 104 -3.059 7.320 8.546 835 HA TYR 104 HA TYR 104 -1.466 7.595 6.083 836 HB2 TYR 104 2HB TYR 104 -0.668 8.168 8.961 837 HB3 TYR 104 1HB TYR 104 0.354 8.330 7.534 838 HD1 TYR 104 1HD TYR 104 -2.540 9.772 9.320 839 HD2 TYR 104 2HD TYR 104 0.228 10.243 6.124 840 HE1 TYR 104 1HE TYR 104 -3.240 12.115 9.057 841 HE2 TYR 104 2HE TYR 104 -0.472 12.579 5.853 842 HH TYR 104 HH TYR 104 -2.425 14.193 8.155 843 H VAL 105 H VAL 105 0.296 6.149 5.818 844 HA VAL 105 HA VAL 105 -0.393 3.619 7.062 845 HB VAL 105 HB VAL 105 0.875 4.229 4.376 846 HG11 VAL 105 1HG1 VAL 105 2.141 2.314 5.395 847 HG12 VAL 105 2HG1 VAL 105 1.131 1.809 4.039 848 HG13 VAL 105 3HG1 VAL 105 0.603 1.503 5.694 849 HG21 VAL 105 3HG2 VAL 105 -0.977 2.882 3.647 850 HG22 VAL 105 1HG2 VAL 105 -1.458 4.306 4.598 851 HG23 VAL 105 2HG2 VAL 105 -1.429 2.698 5.362 852 H MET 106 H MET 106 0.754 2.457 8.157 853 HA MET 106 HA MET 106 3.619 3.010 8.648 854 HB2 MET 106 2HB MET 106 1.596 2.271 10.790 855 HB3 MET 106 1HB MET 106 3.292 2.622 11.040 856 HG2 MET 106 2HG MET 106 1.178 4.591 10.190 857 HG3 MET 106 1HG MET 106 1.847 4.428 11.808 858 HE1 MET 106 3HE MET 106 4.412 4.994 12.397 859 HE2 MET 106 1HE MET 106 5.567 5.621 11.220 860 HE3 MET 106 2HE MET 106 4.991 3.964 11.087 861 H LEU 107 H LEU 107 4.079 0.900 10.352 862 HA LEU 107 HA LEU 107 3.434 -1.351 8.607 863 HB2 LEU 107 2HB LEU 107 5.434 -2.483 9.484 864 HB3 LEU 107 1HB LEU 107 5.835 -0.981 8.690 865 HG LEU 107 HG LEU 107 5.614 -1.104 11.694 866 HD11 LEU 107 1HD1 LEU 107 8.031 -1.564 11.758 867 HD12 LEU 107 2HD1 LEU 107 8.039 -1.752 10.004 868 HD13 LEU 107 3HD1 LEU 107 7.150 -2.895 11.011 869 HD21 LEU 107 3HD2 LEU 107 7.275 0.709 11.560 870 HD22 LEU 107 1HD2 LEU 107 5.816 1.139 10.672 871 HD23 LEU 107 2HD2 LEU 107 7.248 0.603 9.805 872 H GLY 108 H GLY 108 2.911 -3.401 9.619 873 HA2 GLY 108 2HA GLY 108 1.572 -2.868 12.162 874 HA3 GLY 108 1HA GLY 108 1.038 -4.045 10.964 875 H ASN 109 H ASN 109 0.967 -5.128 13.074 876 HA ASN 109 HA ASN 109 3.193 -5.945 14.562 877 HB2 ASN 109 2HB ASN 109 0.937 -6.171 15.421 878 HB3 ASN 109 1HB ASN 109 0.531 -7.316 14.153 879 HD21 ASN 109 1HD2 ASN 109 1.139 -9.443 14.380 880 HD22 ASN 109 2HD2 ASN 109 1.841 -10.063 15.841 881 H LYS 110 H LYS 110 1.742 -7.412 11.694 882 HA LYS 110 HA LYS 110 3.594 -9.637 11.918 883 HB2 LYS 110 2HB LYS 110 1.357 -9.221 9.939 884 HB3 LYS 110 1HB LYS 110 2.331 -10.669 10.069 885 HG2 LYS 110 2HG LYS 110 1.443 -10.709 12.525 886 HG3 LYS 110 1HG LYS 110 0.211 -9.631 11.869 887 HD2 LYS 110 2HD LYS 110 0.813 -12.441 10.933 888 HD3 LYS 110 1HD LYS 110 -0.643 -11.879 11.752 889 HE2 LYS 110 2HE LYS 110 -1.025 -10.354 9.818 890 HE3 LYS 110 1HE LYS 110 0.309 -11.146 8.993 891 HZ1 LYS 110 3HZ LYS 110 -1.018 -13.291 9.174 892 HZ2 LYS 110 1HZ LYS 110 -1.728 -12.047 8.278 893 HZ3 LYS 110 2HZ LYS 110 -2.311 -12.307 9.750 894 H ALA 111 H ALA 111 4.334 -6.824 11.116 895 HA ALA 111 HA ALA 111 5.192 -7.105 8.345 896 HB1 ALA 111 1HB ALA 111 4.704 -4.848 9.214 897 HB2 ALA 111 2HB ALA 111 6.397 -4.967 8.731 898 HB3 ALA 111 3HB ALA 111 5.959 -5.044 10.438 899 H GLN 112 H GLN 112 6.271 -7.462 11.518 900 HA GLN 112 HA GLN 112 8.961 -8.084 11.161 901 HB2 GLN 112 2HB GLN 112 8.251 -7.614 13.336 902 HB3 GLN 112 1HB GLN 112 6.841 -8.647 13.201 903 HG2 GLN 112 2HG GLN 112 8.422 -9.558 14.719 904 HG3 GLN 112 1HG GLN 112 8.205 -10.569 13.285 905 HE21 GLN 112 1HE2 GLN 112 10.189 -11.607 13.521 906 HE22 GLN 112 2HE2 GLN 112 11.697 -10.798 13.231 907 H THR 113 H THR 113 5.988 -10.017 11.016 908 HA THR 113 HA THR 113 7.194 -12.517 10.724 909 HB THR 113 HB THR 113 4.529 -11.692 9.561 910 HG1 THR 113 1HG THR 113 5.047 -12.442 12.273 911 HG21 THR 113 3HG2 THR 113 3.876 -13.958 10.262 912 HG22 THR 113 1HG2 THR 113 5.494 -14.225 10.913 913 HG23 THR 113 2HG2 THR 113 5.267 -14.013 9.178 914 H VAL 114 H VAL 114 6.408 -9.907 8.531 915 HA VAL 114 HA VAL 114 6.758 -11.235 6.089 916 HB VAL 114 HB VAL 114 7.197 -8.312 6.763 917 HG11 VAL 114 1HG1 VAL 114 6.924 -7.852 4.343 918 HG12 VAL 114 2HG1 VAL 114 6.928 -9.581 4.025 919 HG13 VAL 114 3HG1 VAL 114 8.352 -8.807 4.709 920 HG21 VAL 114 3HG2 VAL 114 4.778 -9.676 5.566 921 HG22 VAL 114 1HG2 VAL 114 4.973 -7.941 5.799 922 HG23 VAL 114 2HG2 VAL 114 4.916 -9.020 7.192 923 H LEU 115 H LEU 115 8.960 -9.474 8.155 924 HA LEU 115 HA LEU 115 11.271 -9.703 6.520 925 HB2 LEU 115 2HB LEU 115 11.114 -9.384 9.511 926 HB3 LEU 115 1HB LEU 115 12.472 -8.966 8.484 927 HG LEU 115 HG LEU 115 9.778 -7.695 8.384 928 HD11 LEU 115 1HD1 LEU 115 12.375 -6.679 9.584 929 HD12 LEU 115 2HD1 LEU 115 10.927 -7.142 10.478 930 HD13 LEU 115 3HD1 LEU 115 10.899 -5.726 9.425 931 HD21 LEU 115 3HD2 LEU 115 10.888 -7.555 6.244 932 HD22 LEU 115 1HD2 LEU 115 12.362 -6.952 7.006 933 HD23 LEU 115 2HD2 LEU 115 10.901 -5.964 7.001 934 H ASN 116 H ASN 116 9.815 -11.633 9.004 935 HA ASN 116 HA ASN 116 11.921 -13.522 9.311 936 HB2 ASN 116 2HB ASN 116 10.192 -13.151 11.028 937 HB3 ASN 116 1HB ASN 116 8.956 -13.704 9.916 938 HD21 ASN 116 1HD2 ASN 116 12.083 -15.322 10.264 939 HD22 ASN 116 2HD2 ASN 116 11.432 -16.731 11.008 940 H GLY 117 H GLY 117 9.344 -13.072 7.091 941 HA2 GLY 117 2HA GLY 117 9.543 -14.004 4.862 942 HA3 GLY 117 1HA GLY 117 10.342 -15.397 5.569 943 H ASN 118 H ASN 118 8.026 -15.047 7.631 944 HA ASN 118 HA ASN 118 6.456 -17.164 6.441 945 HB2 ASN 118 2HB ASN 118 6.651 -15.989 9.194 946 HB3 ASN 118 1HB ASN 118 5.343 -17.096 8.782 947 HD21 ASN 118 1HD2 ASN 118 7.694 -17.339 10.641 948 HD22 ASN 118 2HD2 ASN 118 8.454 -18.804 10.125 949 H LEU 119 H LEU 119 5.968 -14.991 5.012 950 HA LEU 119 HA LEU 119 3.285 -14.305 5.838 951 HB2 LEU 119 2HB LEU 119 3.438 -12.016 5.079 952 HB3 LEU 119 1HB LEU 119 4.798 -12.370 6.118 953 HG LEU 119 HG LEU 119 5.805 -11.079 4.578 954 HD11 LEU 119 1HD1 LEU 119 7.145 -12.924 4.603 955 HD12 LEU 119 2HD1 LEU 119 7.029 -12.483 2.872 956 HD13 LEU 119 3HD1 LEU 119 6.036 -13.790 3.561 957 HD21 LEU 119 3HD2 LEU 119 4.089 -12.186 2.366 958 HD22 LEU 119 1HD2 LEU 119 5.350 -10.969 2.162 959 HD23 LEU 119 2HD2 LEU 119 3.929 -10.612 3.143 960 H LYS 120 H LYS 120 2.776 -16.061 4.690 961 HA LYS 120 HA LYS 120 2.562 -15.348 1.915 962 HB2 LYS 120 2HB LYS 120 2.249 -17.606 1.193 963 HB3 LYS 120 1HB LYS 120 3.751 -17.454 2.074 964 HG2 LYS 120 2HG LYS 120 2.973 -18.653 3.901 965 HG3 LYS 120 1HG LYS 120 1.280 -18.433 3.461 966 HD2 LYS 120 2HD LYS 120 3.317 -20.234 2.134 967 HD3 LYS 120 1HD LYS 120 1.833 -20.710 2.961 968 HE2 LYS 120 2HE LYS 120 2.109 -19.347 0.264 969 HE3 LYS 120 1HE LYS 120 1.385 -20.895 0.634 970 HZ1 LYS 120 3HZ LYS 120 -0.515 -19.758 1.685 971 HZ2 LYS 120 1HZ LYS 120 -0.221 -19.108 0.151 972 HZ3 LYS 120 2HZ LYS 120 0.272 -18.256 1.445 973 H VAL 121 H VAL 121 0.848 -14.204 1.747 974 HA VAL 121 HA VAL 121 -1.589 -15.304 2.918 975 HB VAL 121 HB VAL 121 -2.497 -13.160 3.212 976 HG11 VAL 121 1HG1 VAL 121 0.346 -13.077 4.163 977 HG12 VAL 121 2HG1 VAL 121 -1.035 -13.804 4.988 978 HG13 VAL 121 3HG1 VAL 121 -0.966 -12.057 4.758 979 HG21 VAL 121 3HG2 VAL 121 -0.121 -12.072 1.732 980 HG22 VAL 121 1HG2 VAL 121 -1.376 -11.076 2.525 981 HG23 VAL 121 2HG2 VAL 121 -1.807 -12.193 1.210 982 H ASP 122 H ASP 122 -3.515 -14.433 1.813 983 HA ASP 122 HA ASP 122 -3.324 -15.148 -0.983 984 HB2 ASP 122 2HB ASP 122 -5.673 -15.348 -0.793 985 HB3 ASP 122 1HB ASP 122 -4.790 -16.250 0.477 986 H PHE 123 H PHE 123 -4.689 -14.020 -2.439 987 HA PHE 123 HA PHE 123 -5.834 -11.490 -1.775 988 HB2 PHE 123 2HB PHE 123 -3.580 -10.733 -2.284 989 HB3 PHE 123 1HB PHE 123 -3.567 -11.687 -3.763 990 HD1 PHE 123 2HD PHE 123 -5.591 -8.960 -2.153 991 HD2 PHE 123 1HD PHE 123 -3.918 -10.577 -5.731 992 HE1 PHE 123 2HE PHE 123 -6.419 -7.034 -3.419 993 HE2 PHE 123 1HE PHE 123 -4.751 -8.643 -6.992 994 HZ PHE 123 HZ PHE 123 -6.002 -6.870 -5.836 995 H MET 124 H MET 124 -7.420 -10.994 -3.178 996 HA MET 124 HA MET 124 -8.001 -13.079 -5.132 997 HB2 MET 124 2HB MET 124 -10.345 -12.268 -5.135 998 HB3 MET 124 1HB MET 124 -9.836 -12.746 -3.529 999 HG2 MET 124 2HG MET 124 -9.496 -10.355 -2.984 1000 HG3 MET 124 1HG MET 124 -10.127 -9.941 -4.578 1001 HE1 MET 124 3HE MET 124 -13.065 -8.914 -2.245 1002 HE2 MET 124 1HE MET 124 -11.977 -8.404 -3.533 1003 HE3 MET 124 2HE MET 124 -11.338 -8.758 -1.928 1004 H GLU 125 H GLU 125 -7.794 -12.682 -7.145 1005 HA GLU 125 HA GLU 125 -6.119 -10.686 -7.910 1006 HB2 GLU 125 2HB GLU 125 -6.296 -12.799 -9.050 1007 HB3 GLU 125 1HB GLU 125 -7.878 -12.358 -9.662 1008 HG2 GLU 125 2HG GLU 125 -6.988 -10.790 -11.149 1009 HG3 GLU 125 1HG GLU 125 -5.436 -10.748 -10.306 1010 H THR 126 H THR 126 -9.593 -10.656 -8.714 1011 HA THR 126 HA THR 126 -9.341 -7.800 -8.765 1012 HB THR 126 HB THR 126 -8.657 -8.510 -11.069 1013 HG1 THR 126 1HG THR 126 -11.068 -6.961 -10.945 1014 HG21 THR 126 3HG2 THR 126 -10.148 -10.446 -11.354 1015 HG22 THR 126 1HG2 THR 126 -10.399 -9.270 -12.648 1016 HG23 THR 126 2HG2 THR 126 -11.550 -9.377 -11.317 1017 H GLU 127 H GLU 127 -11.345 -6.658 -8.892 1018 HA GLU 127 HA GLU 127 -13.803 -8.021 -8.878 1019 HB2 GLU 127 2HB GLU 127 -14.534 -6.822 -6.802 1020 HB3 GLU 127 1HB GLU 127 -13.294 -8.005 -6.434 1021 HG2 GLU 127 2HG GLU 127 -11.657 -6.323 -6.108 1022 HG3 GLU 127 1HG GLU 127 -12.675 -5.089 -6.843
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