NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
530738 | 2lcc | 17606 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 6.862 -15.235 -19.377 2 H2 GLU 1 HT2 GLU 1 8.438 -14.737 -19.122 3 H3 GLU 1 HT3 GLU 1 8.021 -15.488 -20.585 4 HA GLU 1 HA GLU 1 8.286 -13.102 -20.797 5 HB2 GLU 1 HB2 GLU 1 5.419 -14.042 -21.062 6 HB3 GLU 1 HB1 GLU 1 6.109 -12.647 -21.872 7 HG2 GLU 1 HG2 GLU 1 6.799 -15.539 -22.309 8 HG3 GLU 1 HG1 GLU 1 6.015 -14.434 -23.436 9 H ASP 2 HN ASP 2 8.257 -11.256 -19.728 10 HA ASP 2 HA ASP 2 6.249 -10.755 -17.660 11 HB2 ASP 2 HB2 ASP 2 9.237 -10.823 -17.186 12 HB3 ASP 2 HB1 ASP 2 8.129 -9.969 -16.136 13 H MET 3 HN MET 3 6.764 -8.562 -16.724 14 HA MET 3 HA MET 3 8.343 -6.768 -18.276 15 HB2 MET 3 HB2 MET 3 6.638 -5.172 -18.789 16 HB3 MET 3 HB1 MET 3 5.899 -6.690 -19.242 17 HG2 MET 3 HG2 MET 3 5.394 -5.194 -16.670 18 HG3 MET 3 HG1 MET 3 4.361 -5.146 -18.089 19 HE1 MET 3 HE1 MET 3 2.948 -7.201 -18.948 20 HE2 MET 3 HE2 MET 3 2.955 -8.791 -18.185 21 HE3 MET 3 HE3 MET 3 4.393 -8.214 -19.021 22 H GLU 4 HN GLU 4 8.515 -4.716 -16.905 23 HA GLU 4 HA GLU 4 8.711 -5.549 -14.202 24 HB2 GLU 4 HB2 GLU 4 9.221 -2.867 -15.482 25 HB3 GLU 4 HB1 GLU 4 9.523 -3.224 -13.788 26 HG2 GLU 4 HG2 GLU 4 11.049 -5.079 -14.604 27 HG3 GLU 4 HG1 GLU 4 10.902 -4.349 -16.205 28 HA PRO 5 HA PRO 5 4.513 -4.259 -13.340 29 HB2 PRO 5 HB2 PRO 5 5.163 -4.983 -10.561 30 HB3 PRO 5 HB1 PRO 5 3.937 -5.667 -11.634 31 HG2 PRO 5 HG2 PRO 5 6.114 -7.060 -10.970 32 HG3 PRO 5 HG1 PRO 5 5.409 -7.145 -12.599 33 HD2 PRO 5 HD2 PRO 5 7.779 -5.560 -11.661 34 HD3 PRO 5 HD1 PRO 5 7.581 -6.594 -13.105 35 H CYS 6 HN CYS 6 3.542 -2.938 -11.424 36 HA CYS 6 HA CYS 6 5.046 -0.496 -11.389 37 HB2 CYS 6 HB2 CYS 6 2.354 -1.061 -10.158 38 HB3 CYS 6 HB1 CYS 6 3.056 0.506 -10.512 39 HG CYS 6 HG CYS 6 2.436 -1.709 -13.033 40 H LEU 7 HN LEU 7 6.733 -0.909 -10.080 41 HA LEU 7 HA LEU 7 7.908 -1.425 -8.330 42 HB2 LEU 7 HB2 LEU 7 7.700 0.230 -6.378 43 HB3 LEU 7 HB1 LEU 7 8.051 0.838 -7.964 44 HG LEU 7 HG LEU 7 6.623 2.350 -6.722 45 HD11 LEU 7 HD11 LEU 7 5.142 1.142 -9.017 46 HD12 LEU 7 HD12 LEU 7 6.292 2.481 -9.063 47 HD13 LEU 7 HD13 LEU 7 4.731 2.674 -8.258 48 HD21 LEU 7 HD21 LEU 7 5.495 0.877 -5.224 49 HD22 LEU 7 HD22 LEU 7 4.688 0.081 -6.569 50 HD23 LEU 7 HD23 LEU 7 4.280 1.753 -6.166 51 H THR 8 HN THR 8 6.825 -3.537 -8.368 52 HA THR 8 HA THR 8 5.400 -4.283 -6.067 53 HB THR 8 HB THR 8 6.262 -6.579 -7.114 54 HG1 THR 8 HG1 THR 8 7.527 -6.019 -8.773 55 HG21 THR 8 HG21 THR 8 4.196 -4.763 -8.386 56 HG22 THR 8 HG22 THR 8 3.913 -5.822 -7.006 57 HG23 THR 8 HG23 THR 8 4.283 -6.512 -8.587 58 H GLY 9 HN GLY 9 6.158 -5.707 -4.408 59 HA2 GLY 9 HA2 GLY 9 7.832 -6.757 -3.144 60 HA3 GLY 9 HA1 GLY 9 9.046 -5.874 -4.069 61 H THR 10 HN THR 10 6.893 -3.609 -3.556 62 HA THR 10 HA THR 10 8.316 -2.538 -1.275 63 HB THR 10 HB THR 10 6.085 -1.249 -2.757 64 HG1 THR 10 HG1 THR 10 7.297 -1.349 -4.501 65 HG21 THR 10 HG21 THR 10 6.930 -0.101 -0.784 66 HG22 THR 10 HG22 THR 10 7.353 0.818 -2.227 67 HG23 THR 10 HG23 THR 10 8.575 -0.166 -1.422 68 H LYS 11 HN LYS 11 7.431 -3.019 0.673 69 HA LYS 11 HA LYS 11 4.537 -3.129 0.761 70 HB2 LYS 11 HB2 LYS 11 4.573 -4.152 2.907 71 HB3 LYS 11 HB1 LYS 11 5.802 -4.988 1.988 72 HG2 LYS 11 HG2 LYS 11 7.548 -3.952 3.207 73 HG3 LYS 11 HG1 LYS 11 6.447 -2.746 3.886 74 HD2 LYS 11 HD2 LYS 11 5.231 -4.567 5.045 75 HD3 LYS 11 HD1 LYS 11 6.424 -5.711 4.437 76 HE2 LYS 11 HE2 LYS 11 8.172 -4.614 5.678 77 HE3 LYS 11 HE1 LYS 11 7.059 -3.331 6.168 78 HZ1 LYS 11 HZ1 LYS 11 5.812 -4.880 7.464 79 HZ2 LYS 11 HZ2 LYS 11 7.452 -5.076 7.878 80 HZ3 LYS 11 HZ3 LYS 11 6.708 -6.181 6.868 81 H VAL 12 HN VAL 12 3.419 -1.703 1.758 82 HA VAL 12 HA VAL 12 4.797 0.664 2.771 83 HB VAL 12 HB VAL 12 3.093 2.033 1.636 84 HG11 VAL 12 HG11 VAL 12 4.489 0.156 -0.264 85 HG12 VAL 12 HG12 VAL 12 5.208 1.581 0.466 86 HG13 VAL 12 HG13 VAL 12 3.867 1.755 -0.666 87 HG21 VAL 12 HG21 VAL 12 1.322 0.343 1.600 88 HG22 VAL 12 HG22 VAL 12 2.189 -0.538 0.338 89 HG23 VAL 12 HG23 VAL 12 1.561 1.084 0.019 90 H LYS 13 HN LYS 13 2.995 2.066 3.750 91 HA LYS 13 HA LYS 13 1.373 0.365 5.503 92 HB2 LYS 13 HB2 LYS 13 3.251 2.439 5.952 93 HB3 LYS 13 HB1 LYS 13 1.656 3.109 6.259 94 HG2 LYS 13 HG2 LYS 13 2.682 0.615 7.552 95 HG3 LYS 13 HG1 LYS 13 2.812 2.234 8.268 96 HD2 LYS 13 HD2 LYS 13 0.315 2.366 7.948 97 HD3 LYS 13 HD1 LYS 13 0.363 0.629 7.638 98 HE2 LYS 13 HE2 LYS 13 1.353 2.017 10.108 99 HE3 LYS 13 HE1 LYS 13 -0.168 1.151 9.972 100 HZ1 LYS 13 HZ1 LYS 13 2.525 -0.088 9.685 101 HZ2 LYS 13 HZ2 LYS 13 1.029 -0.892 9.621 102 HZ3 LYS 13 HZ3 LYS 13 1.528 -0.180 11.037 103 H VAL 14 HN VAL 14 -0.846 0.685 5.293 104 HA VAL 14 HA VAL 14 -1.704 2.862 3.486 105 HB VAL 14 HB VAL 14 -2.720 0.003 3.547 106 HG11 VAL 14 HG11 VAL 14 -3.670 2.321 1.879 107 HG12 VAL 14 HG12 VAL 14 -4.576 1.517 3.160 108 HG13 VAL 14 HG13 VAL 14 -4.173 0.642 1.680 109 HG21 VAL 14 HG21 VAL 14 -1.925 -0.081 1.228 110 HG22 VAL 14 HG22 VAL 14 -0.636 0.215 2.391 111 HG23 VAL 14 HG23 VAL 14 -1.257 1.545 1.408 112 H LYS 15 HN LYS 15 -3.429 4.023 4.117 113 HA LYS 15 HA LYS 15 -4.864 3.167 6.533 114 HB2 LYS 15 HB2 LYS 15 -3.683 5.340 6.697 115 HB3 LYS 15 HB1 LYS 15 -4.584 5.909 5.289 116 HG2 LYS 15 HG2 LYS 15 -6.668 5.732 6.545 117 HG3 LYS 15 HG1 LYS 15 -5.786 5.143 7.952 118 HD2 LYS 15 HD2 LYS 15 -5.377 7.840 6.653 119 HD3 LYS 15 HD1 LYS 15 -6.360 7.553 8.090 120 HE2 LYS 15 HE2 LYS 15 -4.383 6.734 9.273 121 HE3 LYS 15 HE1 LYS 15 -3.398 7.008 7.839 122 HZ1 LYS 15 HZ1 LYS 15 -4.851 9.117 9.325 123 HZ2 LYS 15 HZ2 LYS 15 -3.809 9.345 8.006 124 HZ3 LYS 15 HZ3 LYS 15 -3.204 8.777 9.478 125 H TYR 16 HN TYR 16 -7.113 3.184 6.458 126 HA TYR 16 HA TYR 16 -8.526 3.935 4.033 127 HB2 TYR 16 HB2 TYR 16 -7.616 1.508 3.831 128 HB3 TYR 16 HB1 TYR 16 -8.720 1.163 5.156 129 HD1 TYR 16 HD1 TYR 16 -8.523 2.156 1.616 130 HD2 TYR 16 HD2 TYR 16 -11.030 0.822 4.767 131 HE1 TYR 16 HE1 TYR 16 -10.276 1.621 -0.035 132 HE2 TYR 16 HE2 TYR 16 -12.808 0.290 3.135 133 HH TYR 16 HH TYR 16 -12.205 0.044 -0.140 134 H GLY 17 HN GLY 17 -10.179 5.101 4.973 135 HA2 GLY 17 HA2 GLY 17 -11.410 3.946 7.358 136 HA3 GLY 17 HA1 GLY 17 -10.864 5.612 7.392 137 H ARG 18 HN ARG 18 -13.364 3.565 6.884 138 HA ARG 18 HA ARG 18 -15.057 5.783 6.235 139 HB2 ARG 18 HB2 ARG 18 -16.369 4.401 4.570 140 HB3 ARG 18 HB1 ARG 18 -14.814 4.985 4.014 141 HG2 ARG 18 HG2 ARG 18 -13.849 2.760 4.415 142 HG3 ARG 18 HG1 ARG 18 -15.419 2.186 4.963 143 HD2 ARG 18 HD2 ARG 18 -14.978 1.598 2.627 144 HD3 ARG 18 HD1 ARG 18 -16.387 2.640 2.795 145 HE ARG 18 HE ARG 18 -14.303 4.350 2.319 146 HH11 ARG 18 HH11 ARG 18 -15.650 1.581 0.601 147 HH12 ARG 18 HH12 ARG 18 -15.270 2.186 -0.952 148 HH21 ARG 18 HH21 ARG 18 -13.793 5.176 0.168 149 HH22 ARG 18 HH22 ARG 18 -14.219 4.241 -1.182 150 H GLY 19 HN GLY 19 -16.211 5.852 7.979 151 HA2 GLY 19 HA2 GLY 19 -17.847 5.279 9.467 152 HA3 GLY 19 HA1 GLY 19 -18.043 3.758 8.607 153 H LYS 20 HN LYS 20 -17.665 2.086 9.799 154 HA LYS 20 HA LYS 20 -16.011 2.246 12.181 155 HB2 LYS 20 HB2 LYS 20 -17.476 -0.091 10.967 156 HB3 LYS 20 HB1 LYS 20 -16.730 -0.077 12.550 157 HG2 LYS 20 HG2 LYS 20 -18.336 1.648 13.265 158 HG3 LYS 20 HG1 LYS 20 -19.102 1.565 11.677 159 HD2 LYS 20 HD2 LYS 20 -18.869 -0.701 13.667 160 HD3 LYS 20 HD1 LYS 20 -20.336 0.206 13.306 161 HE2 LYS 20 HE2 LYS 20 -20.207 -0.608 10.962 162 HE3 LYS 20 HE1 LYS 20 -18.780 -1.536 11.403 163 HZ1 LYS 20 HZ1 LYS 20 -20.727 -2.898 11.387 164 HZ2 LYS 20 HZ2 LYS 20 -21.494 -1.926 12.522 165 HZ3 LYS 20 HZ3 LYS 20 -20.113 -2.798 12.943 166 H THR 21 HN THR 21 -15.831 1.332 8.908 167 HA THR 21 HA THR 21 -13.633 -0.481 9.242 168 HB THR 21 HB THR 21 -14.831 0.704 6.715 169 HG1 THR 21 HG1 THR 21 -16.143 -0.647 8.136 170 HG21 THR 21 HG21 THR 21 -12.547 -0.146 6.352 171 HG22 THR 21 HG22 THR 21 -13.736 -1.183 5.563 172 HG23 THR 21 HG23 THR 21 -12.992 -1.692 7.082 173 H GLN 22 HN GLN 22 -12.395 1.010 10.429 174 HA GLN 22 HA GLN 22 -10.735 2.757 8.740 175 HB2 GLN 22 HB2 GLN 22 -12.062 4.189 10.157 176 HB3 GLN 22 HB1 GLN 22 -11.694 3.217 11.568 177 HG2 GLN 22 HG2 GLN 22 -10.389 5.226 11.684 178 HG3 GLN 22 HG1 GLN 22 -9.325 3.861 11.330 179 HE21 GLN 22 HE21 GLN 22 -8.212 3.806 9.393 180 HE22 GLN 22 HE22 GLN 22 -8.239 5.144 8.299 181 H LYS 23 HN LYS 23 -8.943 1.665 8.496 182 HA LYS 23 HA LYS 23 -7.570 0.778 10.896 183 HB2 LYS 23 HB2 LYS 23 -7.773 -0.877 8.375 184 HB3 LYS 23 HB1 LYS 23 -6.664 -1.189 9.692 185 HG2 LYS 23 HG2 LYS 23 -8.338 -2.712 10.052 186 HG3 LYS 23 HG1 LYS 23 -8.789 -1.333 11.071 187 HD2 LYS 23 HD2 LYS 23 -10.465 -0.630 9.596 188 HD3 LYS 23 HD1 LYS 23 -9.879 -1.686 8.307 189 HE2 LYS 23 HE2 LYS 23 -11.862 -2.606 9.343 190 HE3 LYS 23 HE1 LYS 23 -10.418 -3.601 9.586 191 HZ1 LYS 23 HZ1 LYS 23 -11.740 -3.412 11.615 192 HZ2 LYS 23 HZ2 LYS 23 -11.535 -1.753 11.673 193 HZ3 LYS 23 HZ3 LYS 23 -10.214 -2.779 11.819 194 H ILE 24 HN ILE 24 -5.323 0.472 10.501 195 HA ILE 24 HA ILE 24 -4.327 1.695 8.074 196 HB ILE 24 HB ILE 24 -2.893 1.961 10.774 197 HG12 ILE 24 HG12 ILE 24 -3.460 4.493 10.496 198 HG13 ILE 24 HG11 ILE 24 -4.724 3.947 9.409 199 HG21 ILE 24 HG21 ILE 24 -1.502 3.575 9.588 200 HG22 ILE 24 HG22 ILE 24 -2.516 3.394 8.157 201 HG23 ILE 24 HG23 ILE 24 -1.553 2.035 8.720 202 HD11 ILE 24 HD11 ILE 24 -4.489 3.243 12.336 203 HD12 ILE 24 HD12 ILE 24 -5.770 2.715 11.246 204 HD13 ILE 24 HD13 ILE 24 -5.598 4.423 11.635 205 H TYR 25 HN TYR 25 -3.403 0.162 6.995 206 HA TYR 25 HA TYR 25 -2.711 -2.408 8.317 207 HB2 TYR 25 HB2 TYR 25 -3.252 -2.090 5.379 208 HB3 TYR 25 HB1 TYR 25 -3.318 -3.534 6.353 209 HD1 TYR 25 HD2 TYR 25 -5.072 -0.494 5.326 210 HD2 TYR 25 HD1 TYR 25 -5.479 -4.187 7.439 211 HE1 TYR 25 HE2 TYR 25 -7.509 -0.302 5.212 212 HE2 TYR 25 HE1 TYR 25 -7.905 -3.989 7.304 213 HH TYR 25 HH TYR 25 -9.410 -1.712 5.261 214 H GLU 26 HN GLU 26 -0.987 -3.641 7.166 215 HA GLU 26 HA GLU 26 0.934 -1.950 5.745 216 HB2 GLU 26 HB2 GLU 26 1.228 -4.592 7.207 217 HB3 GLU 26 HB1 GLU 26 2.461 -3.985 6.117 218 HG2 GLU 26 HG2 GLU 26 2.816 -2.064 7.537 219 HG3 GLU 26 HG1 GLU 26 1.505 -2.565 8.599 220 H ALA 27 HN ALA 27 1.157 -2.360 3.605 221 HA ALA 27 HA ALA 27 -0.096 -4.773 2.519 222 HB1 ALA 27 HB1 ALA 27 -1.788 -2.995 2.508 223 HB2 ALA 27 HB2 ALA 27 -1.317 -3.476 0.878 224 HB3 ALA 27 HB3 ALA 27 -0.697 -1.976 1.569 225 H SER 28 HN SER 28 0.538 -5.158 0.322 226 HA SER 28 HA SER 28 3.125 -3.930 -0.355 227 HB2 SER 28 HB2 SER 28 1.945 -6.560 -1.268 228 HB3 SER 28 HB1 SER 28 3.581 -5.965 -1.576 229 HG SER 28 HG SER 28 2.998 -5.906 1.043 230 H ILE 29 HN ILE 29 3.378 -3.084 -2.454 231 HA ILE 29 HA ILE 29 0.925 -2.354 -3.737 232 HB ILE 29 HB ILE 29 3.773 -1.887 -4.661 233 HG12 ILE 29 HG12 ILE 29 3.379 -0.824 -2.504 234 HG13 ILE 29 HG11 ILE 29 3.476 0.397 -3.765 235 HG21 ILE 29 HG21 ILE 29 1.172 -0.660 -5.579 236 HG22 ILE 29 HG22 ILE 29 2.264 -1.697 -6.511 237 HG23 ILE 29 HG23 ILE 29 2.774 -0.080 -6.029 238 HD11 ILE 29 HD11 ILE 29 0.990 0.491 -3.776 239 HD12 ILE 29 HD12 ILE 29 1.726 0.979 -2.260 240 HD13 ILE 29 HD13 ILE 29 0.985 -0.618 -2.397 241 H LYS 30 HN LYS 30 -0.033 -3.240 -5.413 242 HA LYS 30 HA LYS 30 1.127 -5.650 -6.622 243 HB2 LYS 30 HB2 LYS 30 -1.640 -4.503 -6.811 244 HB3 LYS 30 HB1 LYS 30 -1.104 -6.054 -7.446 245 HG2 LYS 30 HG2 LYS 30 -0.406 -6.019 -4.745 246 HG3 LYS 30 HG1 LYS 30 -2.054 -5.394 -4.845 247 HD2 LYS 30 HD2 LYS 30 -1.050 -7.872 -6.135 248 HD3 LYS 30 HD1 LYS 30 -1.941 -7.888 -4.611 249 HE2 LYS 30 HE2 LYS 30 -3.783 -6.655 -5.953 250 HE3 LYS 30 HE1 LYS 30 -2.902 -7.193 -7.379 251 HZ1 LYS 30 HZ1 LYS 30 -4.107 -8.821 -5.264 252 HZ2 LYS 30 HZ2 LYS 30 -3.102 -9.497 -6.440 253 HZ3 LYS 30 HZ3 LYS 30 -4.588 -8.796 -6.883 254 H SER 31 HN SER 31 -0.613 -2.702 -7.499 255 HA SER 31 HA SER 31 0.895 -2.383 -9.926 256 HB2 SER 31 HB2 SER 31 -2.104 -2.817 -10.000 257 HB3 SER 31 HB1 SER 31 -1.077 -2.406 -11.376 258 HG SER 31 HG SER 31 -0.009 -4.486 -10.216 259 H THR 32 HN THR 32 0.174 -0.274 -10.996 260 HA THR 32 HA THR 32 -1.300 1.501 -9.202 261 HB THR 32 HB THR 32 1.000 2.546 -10.785 262 HG1 THR 32 HG1 THR 32 1.083 0.980 -8.421 263 HG21 THR 32 HG21 THR 32 -0.488 4.072 -9.707 264 HG22 THR 32 HG22 THR 32 1.116 4.098 -8.932 265 HG23 THR 32 HG23 THR 32 -0.220 3.257 -8.157 266 H GLU 33 HN GLU 33 -2.516 2.939 -10.356 267 HA GLU 33 HA GLU 33 -2.239 3.061 -13.245 268 HB2 GLU 33 HB2 GLU 33 -4.790 2.125 -11.937 269 HB3 GLU 33 HB1 GLU 33 -4.719 2.849 -13.536 270 HG2 GLU 33 HG2 GLU 33 -3.209 1.058 -14.258 271 HG3 GLU 33 HG1 GLU 33 -3.367 0.302 -12.672 272 H ILE 34 HN ILE 34 -3.546 4.686 -14.185 273 HA ILE 34 HA ILE 34 -4.087 6.846 -12.313 274 HB ILE 34 HB ILE 34 -3.464 6.913 -15.261 275 HG12 ILE 34 HG12 ILE 34 -1.535 8.407 -14.582 276 HG13 ILE 34 HG11 ILE 34 -1.979 8.094 -12.916 277 HG21 ILE 34 HG21 ILE 34 -3.651 9.389 -15.152 278 HG22 ILE 34 HG22 ILE 34 -4.231 9.240 -13.492 279 HG23 ILE 34 HG23 ILE 34 -5.176 8.567 -14.819 280 HD11 ILE 34 HD11 ILE 34 -1.457 5.763 -13.197 281 HD12 ILE 34 HD12 ILE 34 -0.057 6.769 -13.585 282 HD13 ILE 34 HD13 ILE 34 -1.012 6.027 -14.884 283 H ASP 35 HN ASP 35 -6.067 7.059 -11.979 284 HA ASP 35 HA ASP 35 -8.016 6.200 -13.998 285 HB2 ASP 35 HB2 ASP 35 -7.884 4.493 -12.230 286 HB3 ASP 35 HB1 ASP 35 -8.208 5.720 -11.016 287 H ASP 36 HN ASP 36 -8.764 7.950 -14.711 288 HA ASP 36 HA ASP 36 -9.602 9.967 -14.972 289 HB2 ASP 36 HB2 ASP 36 -11.553 8.914 -13.876 290 HB3 ASP 36 HB1 ASP 36 -10.978 9.496 -12.318 291 H GLY 37 HN GLY 37 -7.312 10.493 -14.635 292 HA2 GLY 37 HA2 GLY 37 -6.117 12.471 -14.358 293 HA3 GLY 37 HA1 GLY 37 -7.343 13.026 -13.240 294 H GLU 38 HN GLU 38 -6.924 10.469 -11.601 295 HA GLU 38 HA GLU 38 -4.443 11.416 -10.392 296 HB2 GLU 38 HB2 GLU 38 -5.395 10.750 -8.206 297 HB3 GLU 38 HB1 GLU 38 -6.167 12.125 -8.989 298 HG2 GLU 38 HG2 GLU 38 -7.996 10.621 -9.703 299 HG3 GLU 38 HG1 GLU 38 -7.228 9.310 -8.799 300 H VAL 39 HN VAL 39 -3.343 9.873 -8.937 301 HA VAL 39 HA VAL 39 -3.218 7.328 -10.370 302 HB VAL 39 HB VAL 39 -1.149 8.298 -8.418 303 HG11 VAL 39 HG11 VAL 39 -0.981 5.967 -9.014 304 HG12 VAL 39 HG12 VAL 39 0.363 6.820 -9.754 305 HG13 VAL 39 HG13 VAL 39 -1.018 6.346 -10.721 306 HG21 VAL 39 HG21 VAL 39 -1.206 8.930 -11.374 307 HG22 VAL 39 HG22 VAL 39 0.162 9.213 -10.304 308 HG23 VAL 39 HG23 VAL 39 -1.348 10.088 -10.055 309 H LEU 40 HN LEU 40 -3.947 5.632 -9.530 310 HA LEU 40 HA LEU 40 -4.349 5.519 -6.633 311 HB2 LEU 40 HB2 LEU 40 -5.931 4.127 -8.793 312 HB3 LEU 40 HB1 LEU 40 -6.219 4.023 -7.069 313 HG LEU 40 HG LEU 40 -6.610 6.457 -8.814 314 HD11 LEU 40 HD11 LEU 40 -8.316 4.766 -9.081 315 HD12 LEU 40 HD12 LEU 40 -8.959 6.185 -8.253 316 HD13 LEU 40 HD13 LEU 40 -8.572 4.724 -7.337 317 HD21 LEU 40 HD21 LEU 40 -7.034 6.134 -5.841 318 HD22 LEU 40 HD22 LEU 40 -7.504 7.539 -6.801 319 HD23 LEU 40 HD23 LEU 40 -5.801 7.122 -6.622 320 H TYR 41 HN TYR 41 -3.772 3.662 -5.647 321 HA TYR 41 HA TYR 41 -2.066 1.881 -7.218 322 HB2 TYR 41 HB2 TYR 41 -2.017 2.638 -4.300 323 HB3 TYR 41 HB1 TYR 41 -1.082 1.315 -4.972 324 HD1 TYR 41 HD1 TYR 41 -1.557 4.988 -5.097 325 HD2 TYR 41 HD2 TYR 41 0.972 1.709 -6.001 326 HE1 TYR 41 HE1 TYR 41 0.286 6.554 -5.561 327 HE2 TYR 41 HE2 TYR 41 2.829 3.256 -6.484 328 HH TYR 41 HH TYR 41 3.107 5.606 -7.161 329 H LEU 42 HN LEU 42 -2.254 -0.271 -6.864 330 HA LEU 42 HA LEU 42 -4.716 -1.149 -5.527 331 HB2 LEU 42 HB2 LEU 42 -4.003 -1.645 -8.060 332 HB3 LEU 42 HB1 LEU 42 -2.985 -2.842 -7.306 333 HG LEU 42 HG LEU 42 -5.971 -2.716 -7.435 334 HD11 LEU 42 HD11 LEU 42 -4.896 -3.690 -9.316 335 HD12 LEU 42 HD12 LEU 42 -5.755 -4.934 -8.414 336 HD13 LEU 42 HD13 LEU 42 -4.003 -4.802 -8.281 337 HD21 LEU 42 HD21 LEU 42 -4.360 -4.535 -5.625 338 HD22 LEU 42 HD22 LEU 42 -6.058 -4.778 -6.037 339 HD23 LEU 42 HD23 LEU 42 -5.583 -3.358 -5.130 340 H VAL 43 HN VAL 43 -4.239 -1.996 -3.587 341 HA VAL 43 HA VAL 43 -1.464 -2.797 -3.144 342 HB VAL 43 HB VAL 43 -1.553 -1.922 -0.902 343 HG11 VAL 43 HG11 VAL 43 -2.654 0.122 -2.784 344 HG12 VAL 43 HG12 VAL 43 -0.969 -0.346 -2.624 345 HG13 VAL 43 HG13 VAL 43 -1.792 0.454 -1.279 346 HG21 VAL 43 HG21 VAL 43 -4.436 -1.171 -1.447 347 HG22 VAL 43 HG22 VAL 43 -3.532 -0.738 0.001 348 HG23 VAL 43 HG23 VAL 43 -3.891 -2.432 -0.342 349 H HIS 44 HN HIS 44 -1.169 -4.384 -1.604 350 HA HIS 44 HA HIS 44 -3.390 -6.309 -1.488 351 HB2 HIS 44 HB2 HIS 44 -1.583 -6.898 -3.021 352 HB3 HIS 44 HB1 HIS 44 -0.415 -6.700 -1.739 353 HD1 HIS 44 HD1 HIS 44 -3.334 -8.936 -2.634 354 HD2 HIS 44 HD2 HIS 44 0.089 -8.945 -0.305 355 HE1 HIS 44 HE1 HIS 44 -3.001 -11.308 -1.968 356 HE2 HIS 44 HE2 HIS 44 -0.698 -11.287 -0.948 357 H TYR 45 HN TYR 45 -4.048 -6.494 0.498 358 HA TYR 45 HA TYR 45 -2.502 -5.494 2.687 359 HB2 TYR 45 HB2 TYR 45 -5.125 -6.972 2.669 360 HB3 TYR 45 HB1 TYR 45 -4.401 -6.235 4.098 361 HD1 TYR 45 HD2 TYR 45 -3.566 -3.664 3.400 362 HD2 TYR 45 HD1 TYR 45 -6.917 -5.789 1.905 363 HE1 TYR 45 HE2 TYR 45 -4.659 -1.533 2.858 364 HE2 TYR 45 HE1 TYR 45 -8.024 -3.669 1.354 365 HH TYR 45 HH TYR 45 -7.939 -1.361 2.073 366 H TYR 46 HN TYR 46 -1.180 -6.526 3.977 367 HA TYR 46 HA TYR 46 -0.595 -9.271 3.318 368 HB2 TYR 46 HB2 TYR 46 1.118 -7.404 3.583 369 HB3 TYR 46 HB1 TYR 46 0.782 -7.449 5.303 370 HD1 TYR 46 HD2 TYR 46 1.207 -9.693 6.506 371 HD2 TYR 46 HD1 TYR 46 2.707 -8.793 2.637 372 HE1 TYR 46 HE2 TYR 46 2.902 -11.448 6.759 373 HE2 TYR 46 HE1 TYR 46 4.414 -10.545 2.886 374 HH TYR 46 HH TYR 46 4.239 -12.881 5.258 375 H GLY 47 HN GLY 47 -2.160 -10.539 4.231 376 HA2 GLY 47 HA2 GLY 47 -2.460 -11.878 6.270 377 HA3 GLY 47 HA1 GLY 47 -2.463 -10.360 7.162 378 H TRP 48 HN TRP 48 -4.055 -9.677 4.444 379 HA TRP 48 HA TRP 48 -6.669 -10.442 5.539 380 HB2 TRP 48 HB2 TRP 48 -5.821 -7.761 4.411 381 HB3 TRP 48 HB1 TRP 48 -7.503 -8.194 4.657 382 HD1 TRP 48 HD1 TRP 48 -8.385 -8.286 7.177 383 HE1 TRP 48 HE1 TRP 48 -7.499 -7.236 9.353 384 HE3 TRP 48 HE3 TRP 48 -3.618 -7.129 5.670 385 HZ2 TRP 48 HZ2 TRP 48 -5.119 -6.071 10.304 386 HZ3 TRP 48 HZ3 TRP 48 -2.116 -6.041 7.278 387 HH2 TRP 48 HH2 TRP 48 -2.847 -5.528 9.545 388 H ASN 49 HN ASN 49 -8.215 -9.360 3.485 389 HA ASN 49 HA ASN 49 -8.632 -11.241 1.676 390 HB2 ASN 49 HB2 ASN 49 -9.472 -9.414 0.079 391 HB3 ASN 49 HB1 ASN 49 -10.201 -9.518 1.675 392 HD21 ASN 49 HD21 ASN 49 -7.920 -7.734 -0.292 393 HD22 ASN 49 HD22 ASN 49 -8.036 -6.248 0.575 394 H VAL 50 HN VAL 50 -7.259 -12.346 0.628 395 HA VAL 50 HA VAL 50 -4.944 -11.130 -0.586 396 HB VAL 50 HB VAL 50 -4.808 -13.077 0.917 397 HG11 VAL 50 HG11 VAL 50 -6.767 -14.277 0.266 398 HG12 VAL 50 HG12 VAL 50 -5.334 -15.296 0.222 399 HG13 VAL 50 HG13 VAL 50 -6.023 -14.685 -1.282 400 HG21 VAL 50 HG21 VAL 50 -3.679 -13.546 -1.836 401 HG22 VAL 50 HG22 VAL 50 -3.198 -14.430 -0.387 402 HG23 VAL 50 HG23 VAL 50 -2.919 -12.695 -0.483 403 H ARG 51 HN ARG 51 -8.009 -11.893 -1.762 404 HA ARG 51 HA ARG 51 -6.955 -12.536 -4.438 405 HB2 ARG 51 HB2 ARG 51 -9.555 -13.126 -3.192 406 HB3 ARG 51 HB1 ARG 51 -9.594 -12.732 -4.898 407 HG2 ARG 51 HG2 ARG 51 -9.477 -15.109 -4.616 408 HG3 ARG 51 HG1 ARG 51 -7.980 -14.531 -5.328 409 HD2 ARG 51 HD2 ARG 51 -7.552 -16.211 -3.633 410 HD3 ARG 51 HD1 ARG 51 -6.907 -14.641 -3.155 411 HE ARG 51 HE ARG 51 -8.897 -14.392 -1.748 412 HH11 ARG 51 HH11 ARG 51 -8.013 -17.676 -2.749 413 HH12 ARG 51 HH12 ARG 51 -8.613 -18.411 -1.344 414 HH21 ARG 51 HH21 ARG 51 -9.728 -15.429 0.209 415 HH22 ARG 51 HH22 ARG 51 -9.589 -17.118 0.351 416 H TYR 52 HN TYR 52 -9.441 -10.346 -3.167 417 HA TYR 52 HA TYR 52 -9.372 -9.025 -5.750 418 HB2 TYR 52 HB2 TYR 52 -11.578 -9.424 -4.698 419 HB3 TYR 52 HB1 TYR 52 -11.130 -8.343 -3.385 420 HD1 TYR 52 HD2 TYR 52 -11.686 -8.448 -7.068 421 HD2 TYR 52 HD1 TYR 52 -11.496 -6.009 -3.581 422 HE1 TYR 52 HE2 TYR 52 -12.524 -6.534 -8.367 423 HE2 TYR 52 HE1 TYR 52 -12.332 -4.090 -4.870 424 HH TYR 52 HH TYR 52 -12.382 -3.352 -7.237 425 H ASP 53 HN ASP 53 -8.362 -8.369 -2.515 426 HA ASP 53 HA ASP 53 -7.155 -6.718 -1.579 427 HB2 ASP 53 HB2 ASP 53 -6.128 -6.582 -4.408 428 HB3 ASP 53 HB1 ASP 53 -5.476 -5.535 -3.153 429 H GLU 54 HN GLU 54 -6.390 -4.064 -2.624 430 HA GLU 54 HA GLU 54 -8.956 -2.870 -3.203 431 HB2 GLU 54 HB2 GLU 54 -9.081 -3.215 -0.785 432 HB3 GLU 54 HB1 GLU 54 -7.542 -2.411 -0.568 433 HG2 GLU 54 HG2 GLU 54 -9.351 -0.970 0.114 434 HG3 GLU 54 HG1 GLU 54 -8.563 -0.305 -1.312 435 H TRP 55 HN TRP 55 -8.887 -0.624 -3.505 436 HA TRP 55 HA TRP 55 -6.339 0.263 -4.619 437 HB2 TRP 55 HB2 TRP 55 -9.186 0.935 -5.239 438 HB3 TRP 55 HB1 TRP 55 -7.819 1.818 -5.910 439 HD1 TRP 55 HD1 TRP 55 -9.389 -1.721 -5.993 440 HE1 TRP 55 HE1 TRP 55 -8.712 -2.835 -8.223 441 HE3 TRP 55 HE3 TRP 55 -6.164 1.837 -7.738 442 HZ2 TRP 55 HZ2 TRP 55 -7.017 -2.279 -10.413 443 HZ3 TRP 55 HZ3 TRP 55 -5.047 1.468 -9.892 444 HH2 TRP 55 HH2 TRP 55 -5.466 -0.547 -11.200 445 H VAL 56 HN VAL 56 -5.414 1.913 -3.708 446 HA VAL 56 HA VAL 56 -6.996 3.857 -2.228 447 HB VAL 56 HB VAL 56 -5.252 4.067 -0.484 448 HG11 VAL 56 HG11 VAL 56 -5.681 2.002 0.760 449 HG12 VAL 56 HG12 VAL 56 -6.325 1.261 -0.704 450 HG13 VAL 56 HG13 VAL 56 -7.146 2.640 0.020 451 HG21 VAL 56 HG21 VAL 56 -3.346 3.271 -1.758 452 HG22 VAL 56 HG22 VAL 56 -4.004 1.635 -1.761 453 HG23 VAL 56 HG23 VAL 56 -3.482 2.375 -0.250 454 H LYS 57 HN LYS 57 -5.946 5.918 -2.111 455 HA LYS 57 HA LYS 57 -4.375 6.384 -4.513 456 HB2 LYS 57 HB2 LYS 57 -6.460 7.695 -3.950 457 HB3 LYS 57 HB1 LYS 57 -5.594 8.360 -2.578 458 HG2 LYS 57 HG2 LYS 57 -3.980 9.396 -4.126 459 HG3 LYS 57 HG1 LYS 57 -4.879 8.756 -5.495 460 HD2 LYS 57 HD2 LYS 57 -6.886 9.961 -4.728 461 HD3 LYS 57 HD1 LYS 57 -5.963 10.626 -3.384 462 HE2 LYS 57 HE2 LYS 57 -4.491 11.769 -4.954 463 HE3 LYS 57 HE1 LYS 57 -5.368 11.046 -6.294 464 HZ1 LYS 57 HZ1 LYS 57 -7.341 12.227 -5.640 465 HZ2 LYS 57 HZ2 LYS 57 -6.084 13.314 -5.861 466 HZ3 LYS 57 HZ3 LYS 57 -6.563 12.905 -4.304 467 H ALA 58 HN ALA 58 -2.531 7.877 -4.305 468 HA ALA 58 HA ALA 58 -0.521 6.967 -2.664 469 HB1 ALA 58 HB1 ALA 58 -0.728 9.717 -3.857 470 HB2 ALA 58 HB2 ALA 58 -0.274 8.278 -4.741 471 HB3 ALA 58 HB3 ALA 58 0.758 8.866 -3.426 472 H ASP 59 HN ASP 59 -2.845 9.428 -2.096 473 HA ASP 59 HA ASP 59 -1.737 10.910 0.010 474 HB2 ASP 59 HB2 ASP 59 -3.714 11.634 -1.221 475 HB3 ASP 59 HB1 ASP 59 -4.631 10.284 -0.564 476 H ARG 60 HN ARG 60 -3.610 7.936 0.040 477 HA ARG 60 HA ARG 60 -3.771 7.902 2.946 478 HB2 ARG 60 HB2 ARG 60 -5.048 6.322 0.783 479 HB3 ARG 60 HB1 ARG 60 -4.849 5.552 2.348 480 HG2 ARG 60 HG2 ARG 60 -6.097 7.458 3.364 481 HG3 ARG 60 HG1 ARG 60 -6.393 8.063 1.731 482 HD2 ARG 60 HD2 ARG 60 -7.603 6.076 1.138 483 HD3 ARG 60 HD1 ARG 60 -7.095 5.291 2.632 484 HE ARG 60 HE ARG 60 -8.422 7.198 3.697 485 HH11 ARG 60 HH11 ARG 60 -9.357 5.459 0.766 486 HH12 ARG 60 HH12 ARG 60 -11.011 5.722 0.927 487 HH21 ARG 60 HH21 ARG 60 -10.754 7.496 3.999 488 HH22 ARG 60 HH22 ARG 60 -11.837 6.870 2.844 489 H ILE 61 HN ILE 61 -1.302 7.243 1.073 490 HA ILE 61 HA ILE 61 -0.694 4.709 2.388 491 HB ILE 61 HB ILE 61 0.613 5.910 -0.080 492 HG12 ILE 61 HG12 ILE 61 -1.431 3.686 0.156 493 HG13 ILE 61 HG11 ILE 61 -1.686 5.266 -0.569 494 HG21 ILE 61 HG21 ILE 61 0.862 3.165 1.139 495 HG22 ILE 61 HG22 ILE 61 2.090 4.433 1.199 496 HG23 ILE 61 HG23 ILE 61 1.643 3.708 -0.349 497 HD11 ILE 61 HD11 ILE 61 -0.028 4.708 -2.307 498 HD12 ILE 61 HD12 ILE 61 -1.395 3.588 -2.277 499 HD13 ILE 61 HD13 ILE 61 0.146 3.112 -1.570 500 H ILE 62 HN ILE 62 1.176 4.558 3.551 501 HA ILE 62 HA ILE 62 2.776 6.990 3.879 502 HB ILE 62 HB ILE 62 2.754 4.517 5.644 503 HG12 ILE 62 HG12 ILE 62 1.891 6.276 7.423 504 HG13 ILE 62 HG11 ILE 62 1.330 7.151 6.007 505 HG21 ILE 62 HG21 ILE 62 4.158 5.801 7.184 506 HG22 ILE 62 HG22 ILE 62 4.176 7.127 6.016 507 HG23 ILE 62 HG23 ILE 62 4.888 5.575 5.589 508 HD11 ILE 62 HD11 ILE 62 -0.008 5.084 5.402 509 HD12 ILE 62 HD12 ILE 62 -0.495 5.909 6.871 510 HD13 ILE 62 HD13 ILE 62 0.436 4.430 6.989 511 H TRP 63 HN TRP 63 4.481 6.903 2.614 512 HA TRP 63 HA TRP 63 5.276 4.379 1.549 513 HB2 TRP 63 HB2 TRP 63 6.040 7.210 0.877 514 HB3 TRP 63 HB1 TRP 63 6.826 5.816 0.139 515 HD1 TRP 63 HD1 TRP 63 3.613 7.827 0.025 516 HE1 TRP 63 HE1 TRP 63 2.142 6.919 -1.873 517 HE3 TRP 63 HE3 TRP 63 6.300 3.655 -1.141 518 HZ2 TRP 63 HZ2 TRP 63 2.134 4.710 -3.622 519 HZ3 TRP 63 HZ3 TRP 63 5.496 2.192 -2.936 520 HH2 TRP 63 HH2 TRP 63 3.463 2.699 -4.146 521 HA PRO 64 HA PRO 64 8.817 3.946 4.142 522 HB2 PRO 64 HB2 PRO 64 10.139 2.643 1.835 523 HB3 PRO 64 HB1 PRO 64 9.816 1.985 3.440 524 HG2 PRO 64 HG2 PRO 64 8.433 1.165 1.292 525 HG3 PRO 64 HG1 PRO 64 7.687 1.320 2.892 526 HD2 PRO 64 HD2 PRO 64 7.497 3.154 0.538 527 HD3 PRO 64 HD1 PRO 64 6.253 2.663 1.717 528 H LEU 65 HN LEU 65 10.002 5.611 4.422 529 HA LEU 65 HA LEU 65 11.966 6.680 2.718 530 HB2 LEU 65 HB2 LEU 65 9.524 7.576 1.959 531 HB3 LEU 65 HB1 LEU 65 9.664 8.512 3.421 532 HG LEU 65 HG LEU 65 10.203 9.824 1.427 533 HD11 LEU 65 HD11 LEU 65 12.646 9.403 3.120 534 HD12 LEU 65 HD12 LEU 65 11.303 10.499 3.461 535 HD13 LEU 65 HD13 LEU 65 12.333 10.774 2.061 536 HD21 LEU 65 HD21 LEU 65 12.198 9.366 0.100 537 HD22 LEU 65 HD22 LEU 65 11.022 8.051 0.003 538 HD23 LEU 65 HD23 LEU 65 12.458 7.878 1.010 539 H ASP 66 HN ASP 66 13.164 7.979 4.120 540 HA ASP 66 HA ASP 66 12.846 7.141 6.772 541 HB2 ASP 66 HB2 ASP 66 15.003 7.496 5.871 542 HB3 ASP 66 HB1 ASP 66 14.683 9.222 5.688 543 H LYS 67 HN LYS 67 11.362 7.779 7.993 544 HA LYS 67 HA LYS 67 11.147 10.636 8.525 545 HB2 LYS 67 HB2 LYS 67 8.818 10.301 9.343 546 HB3 LYS 67 HB1 LYS 67 8.943 9.806 7.672 547 HG2 LYS 67 HG2 LYS 67 9.095 7.862 9.948 548 HG3 LYS 67 HG1 LYS 67 7.559 8.371 9.245 549 HD2 LYS 67 HD2 LYS 67 9.700 7.368 7.475 550 HD3 LYS 67 HD1 LYS 67 8.825 6.167 8.428 551 HE2 LYS 67 HE2 LYS 67 7.811 6.336 6.226 552 HE3 LYS 67 HE1 LYS 67 6.701 7.020 7.398 553 HZ1 LYS 67 HZ1 LYS 67 6.895 8.304 5.328 554 HZ2 LYS 67 HZ2 LYS 67 8.510 8.641 5.671 555 HZ3 LYS 67 HZ3 LYS 67 7.292 9.214 6.672 556 H GLY 68 HN GLY 68 13.046 8.718 9.386 557 HA2 GLY 68 HA2 GLY 68 14.092 8.370 11.459 558 HA3 GLY 68 HA1 GLY 68 12.513 8.486 12.257 559 H LEU 69 HN LEU 69 13.724 6.658 9.464 560 HA LEU 69 HA LEU 69 12.177 4.411 10.408 561 HB2 LEU 69 HB2 LEU 69 11.741 5.448 8.205 562 HB3 LEU 69 HB1 LEU 69 13.366 5.013 7.722 563 HG LEU 69 HG LEU 69 12.787 2.640 7.930 564 HD11 LEU 69 HD11 LEU 69 10.426 2.020 8.271 565 HD12 LEU 69 HD12 LEU 69 10.065 3.730 8.600 566 HD13 LEU 69 HD13 LEU 69 11.129 2.833 9.675 567 HD21 LEU 69 HD21 LEU 69 12.531 3.800 5.822 568 HD22 LEU 69 HD22 LEU 69 10.897 4.276 6.268 569 HD23 LEU 69 HD23 LEU 69 11.274 2.567 6.001 570 H GLU 70 HN GLU 70 13.080 2.495 10.638 571 HA GLU 70 HA GLU 70 15.840 2.248 11.302 572 HB2 GLU 70 HB2 GLU 70 13.617 1.086 12.165 573 HB3 GLU 70 HB1 GLU 70 13.924 -0.026 10.855 574 HG2 GLU 70 HG2 GLU 70 15.751 0.522 13.182 575 HG3 GLU 70 HG1 GLU 70 14.719 -0.887 12.979 576 H HIS 71 HN HIS 71 17.468 1.547 9.889 577 HA HIS 71 HA HIS 71 16.748 0.053 7.451 578 HB2 HIS 71 HB2 HIS 71 18.264 2.657 7.466 579 HB3 HIS 71 HB1 HIS 71 18.480 1.481 6.180 580 HD1 HIS 71 HD1 HIS 71 16.778 4.465 6.735 581 HD2 HIS 71 HD2 HIS 71 15.622 0.805 5.167 582 HE1 HIS 71 HE1 HIS 71 14.770 4.946 5.329 583 HE2 HIS 71 HE2 HIS 71 14.366 2.800 4.117 584 H HIS 72 HN HIS 72 18.024 -0.860 9.864 585 HA HIS 72 HA HIS 72 20.803 -1.106 9.036 586 HB2 HIS 72 HB2 HIS 72 19.437 -1.996 11.560 587 HB3 HIS 72 HB1 HIS 72 21.095 -2.423 11.168 588 HD1 HIS 72 HD1 HIS 72 18.957 0.422 12.194 589 HD2 HIS 72 HD2 HIS 72 22.954 -0.369 11.508 590 HE1 HIS 72 HE1 HIS 72 20.224 2.366 13.234 591 HE2 HIS 72 HE2 HIS 72 22.640 1.880 12.750 592 H HIS 73 HN HIS 73 18.154 -3.421 9.878 593 HA HIS 73 HA HIS 73 19.276 -5.163 7.845 594 HB2 HIS 73 HB2 HIS 73 20.642 -5.556 9.940 595 HB3 HIS 73 HB1 HIS 73 19.188 -6.235 10.671 596 HD1 HIS 73 HD1 HIS 73 19.386 -8.715 10.650 597 HD2 HIS 73 HD2 HIS 73 20.969 -7.017 7.213 598 HE1 HIS 73 HE1 HIS 73 20.156 -10.634 9.246 599 HE2 HIS 73 HE2 HIS 73 20.749 -9.556 7.051 600 H HIS 74 HN HIS 74 16.652 -3.897 8.711 601 HA HIS 74 HA HIS 74 15.026 -6.339 8.533 602 HB2 HIS 74 HB2 HIS 74 14.140 -3.454 9.030 603 HB3 HIS 74 HB1 HIS 74 13.045 -4.806 8.822 604 HD1 HIS 74 HD1 HIS 74 15.236 -3.135 11.360 605 HD2 HIS 74 HD2 HIS 74 12.933 -6.594 11.030 606 HE1 HIS 74 HE1 HIS 74 14.949 -3.982 13.683 607 HE2 HIS 74 HE2 HIS 74 13.814 -6.203 13.417 608 H HIS 75 HN HIS 75 15.582 -3.234 7.022 609 HA HIS 75 HA HIS 75 15.622 -4.318 4.403 610 HB2 HIS 75 HB2 HIS 75 13.121 -3.878 4.817 611 HB3 HIS 75 HB1 HIS 75 13.537 -2.182 5.015 612 HD1 HIS 75 HD1 HIS 75 14.282 -0.875 2.803 613 HD2 HIS 75 HD2 HIS 75 13.048 -4.808 2.202 614 HE1 HIS 75 HE1 HIS 75 13.900 -1.099 0.352 615 HE2 HIS 75 HE2 HIS 75 13.088 -3.451 0.006 616 H HIS 76 HN HIS 76 17.588 -3.485 4.185 617 HA HIS 76 HA HIS 76 18.373 -1.004 5.353 618 HB2 HIS 76 HB2 HIS 76 19.942 -2.845 5.283 619 HB3 HIS 76 HB1 HIS 76 19.816 -2.938 3.536 620 HD1 HIS 76 HD1 HIS 76 21.046 -0.527 6.185 621 HD2 HIS 76 HD2 HIS 76 21.681 -1.498 2.204 622 HE1 HIS 76 HE1 HIS 76 23.116 0.735 5.491 623 HE2 HIS 76 HE2 HIS 76 23.566 -0.041 3.145 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 13.307 -15.376 -15.279 2 H2 GLU 1 HT2 GLU 1 13.992 -14.746 -16.686 3 H3 GLU 1 HT3 GLU 1 12.387 -14.490 -16.382 4 HA GLU 1 HA GLU 1 12.934 -13.121 -14.465 5 HB2 GLU 1 HB2 GLU 1 15.783 -13.608 -15.402 6 HB3 GLU 1 HB1 GLU 1 15.320 -12.443 -14.173 7 HG2 GLU 1 HG2 GLU 1 14.552 -14.257 -12.733 8 HG3 GLU 1 HG1 GLU 1 14.966 -15.429 -13.983 9 H ASP 2 HN ASP 2 11.858 -11.576 -15.557 10 HA ASP 2 HA ASP 2 13.361 -9.982 -17.479 11 HB2 ASP 2 HB2 ASP 2 11.746 -10.059 -19.252 12 HB3 ASP 2 HB1 ASP 2 12.149 -11.714 -18.834 13 H MET 3 HN MET 3 10.504 -10.405 -15.501 14 HA MET 3 HA MET 3 9.766 -7.641 -15.816 15 HB2 MET 3 HB2 MET 3 7.974 -9.279 -15.730 16 HB3 MET 3 HB1 MET 3 8.537 -9.855 -14.169 17 HG2 MET 3 HG2 MET 3 6.568 -8.422 -13.954 18 HG3 MET 3 HG1 MET 3 7.975 -7.736 -13.144 19 HE1 MET 3 HE1 MET 3 5.360 -6.057 -13.779 20 HE2 MET 3 HE2 MET 3 6.077 -4.549 -14.346 21 HE3 MET 3 HE3 MET 3 6.787 -5.402 -12.978 22 H GLU 4 HN GLU 4 11.138 -6.361 -14.863 23 HA GLU 4 HA GLU 4 12.215 -6.876 -12.269 24 HB2 GLU 4 HB2 GLU 4 12.249 -4.405 -14.012 25 HB3 GLU 4 HB1 GLU 4 13.154 -4.584 -12.516 26 HG2 GLU 4 HG2 GLU 4 14.435 -6.407 -13.485 27 HG3 GLU 4 HG1 GLU 4 13.500 -6.290 -14.975 28 HA PRO 5 HA PRO 5 8.755 -5.198 -10.007 29 HB2 PRO 5 HB2 PRO 5 10.778 -4.151 -8.107 30 HB3 PRO 5 HB1 PRO 5 9.409 -5.227 -7.799 31 HG2 PRO 5 HG2 PRO 5 11.895 -6.175 -7.804 32 HG3 PRO 5 HG1 PRO 5 10.565 -7.108 -8.515 33 HD2 PRO 5 HD2 PRO 5 12.668 -5.474 -9.887 34 HD3 PRO 5 HD1 PRO 5 12.002 -7.066 -10.316 35 H CYS 6 HN CYS 6 7.838 -3.460 -10.889 36 HA CYS 6 HA CYS 6 9.223 -0.872 -10.686 37 HB2 CYS 6 HB2 CYS 6 8.590 -1.606 -13.017 38 HB3 CYS 6 HB1 CYS 6 6.916 -1.655 -12.489 39 HG CYS 6 HG CYS 6 8.861 1.142 -12.711 40 H LEU 7 HN LEU 7 8.619 -0.311 -8.661 41 HA LEU 7 HA LEU 7 7.419 0.426 -6.940 42 HB2 LEU 7 HB2 LEU 7 5.096 0.440 -8.880 43 HB3 LEU 7 HB1 LEU 7 4.916 0.918 -7.209 44 HG LEU 7 HG LEU 7 6.574 2.766 -7.659 45 HD11 LEU 7 HD11 LEU 7 7.645 1.875 -9.647 46 HD12 LEU 7 HD12 LEU 7 6.926 3.454 -9.980 47 HD13 LEU 7 HD13 LEU 7 6.128 1.983 -10.534 48 HD21 LEU 7 HD21 LEU 7 4.193 3.154 -7.545 49 HD22 LEU 7 HD22 LEU 7 4.022 2.755 -9.253 50 HD23 LEU 7 HD23 LEU 7 4.928 4.190 -8.767 51 H THR 8 HN THR 8 5.702 -2.062 -8.669 52 HA THR 8 HA THR 8 4.329 -3.378 -6.692 53 HB THR 8 HB THR 8 5.824 -4.600 -9.007 54 HG1 THR 8 HG1 THR 8 3.776 -2.792 -8.902 55 HG21 THR 8 HG21 THR 8 3.957 -6.215 -9.030 56 HG22 THR 8 HG22 THR 8 3.254 -5.412 -7.624 57 HG23 THR 8 HG23 THR 8 4.800 -6.245 -7.480 58 H GLY 9 HN GLY 9 4.901 -4.773 -5.078 59 HA2 GLY 9 HA2 GLY 9 6.320 -6.454 -4.132 60 HA3 GLY 9 HA1 GLY 9 7.674 -5.732 -4.987 61 H THR 10 HN THR 10 6.705 -3.032 -4.139 62 HA THR 10 HA THR 10 8.223 -2.838 -1.729 63 HB THR 10 HB THR 10 6.332 -0.804 -2.891 64 HG1 THR 10 HG1 THR 10 7.620 -1.117 -4.573 65 HG21 THR 10 HG21 THR 10 8.877 -0.481 -1.280 66 HG22 THR 10 HG22 THR 10 7.233 -0.260 -0.681 67 HG23 THR 10 HG23 THR 10 7.878 0.836 -1.902 68 H LYS 11 HN LYS 11 7.416 -3.015 0.331 69 HA LYS 11 HA LYS 11 4.544 -3.204 0.577 70 HB2 LYS 11 HB2 LYS 11 4.761 -4.034 2.783 71 HB3 LYS 11 HB1 LYS 11 6.086 -4.792 1.928 72 HG2 LYS 11 HG2 LYS 11 7.686 -3.520 3.045 73 HG3 LYS 11 HG1 LYS 11 6.524 -2.265 3.477 74 HD2 LYS 11 HD2 LYS 11 5.362 -3.941 4.928 75 HD3 LYS 11 HD1 LYS 11 6.681 -5.060 4.602 76 HE2 LYS 11 HE2 LYS 11 8.258 -3.562 5.646 77 HE3 LYS 11 HE1 LYS 11 7.015 -2.332 5.842 78 HZ1 LYS 11 HZ1 LYS 11 6.983 -4.996 7.156 79 HZ2 LYS 11 HZ2 LYS 11 5.839 -3.786 7.366 80 HZ3 LYS 11 HZ3 LYS 11 7.423 -3.539 7.889 81 H VAL 12 HN VAL 12 3.333 -1.736 1.523 82 HA VAL 12 HA VAL 12 4.675 0.721 2.363 83 HB VAL 12 HB VAL 12 2.844 2.037 1.331 84 HG11 VAL 12 HG11 VAL 12 3.625 1.869 -0.977 85 HG12 VAL 12 HG12 VAL 12 4.365 0.307 -0.615 86 HG13 VAL 12 HG13 VAL 12 4.965 1.769 0.164 87 HG21 VAL 12 HG21 VAL 12 1.366 1.002 -0.327 88 HG22 VAL 12 HG22 VAL 12 1.150 0.266 1.264 89 HG23 VAL 12 HG23 VAL 12 2.073 -0.577 0.024 90 H LYS 13 HN LYS 13 2.978 2.153 3.412 91 HA LYS 13 HA LYS 13 1.470 0.516 5.308 92 HB2 LYS 13 HB2 LYS 13 3.333 2.657 5.523 93 HB3 LYS 13 HB1 LYS 13 1.756 3.251 6.010 94 HG2 LYS 13 HG2 LYS 13 2.925 0.752 7.116 95 HG3 LYS 13 HG1 LYS 13 3.240 2.360 7.832 96 HD2 LYS 13 HD2 LYS 13 0.743 2.576 7.988 97 HD3 LYS 13 HD1 LYS 13 0.646 0.869 7.547 98 HE2 LYS 13 HE2 LYS 13 2.157 2.003 9.871 99 HE3 LYS 13 HE1 LYS 13 0.570 1.248 9.971 100 HZ1 LYS 13 HZ1 LYS 13 2.403 -0.264 10.584 101 HZ2 LYS 13 HZ2 LYS 13 3.018 -0.182 9.022 102 HZ3 LYS 13 HZ3 LYS 13 1.475 -0.828 9.318 103 H VAL 14 HN VAL 14 -0.719 0.941 5.412 104 HA VAL 14 HA VAL 14 -1.719 3.013 3.588 105 HB VAL 14 HB VAL 14 -2.738 0.165 3.909 106 HG11 VAL 14 HG11 VAL 14 -4.630 1.756 3.768 107 HG12 VAL 14 HG12 VAL 14 -4.511 0.672 2.389 108 HG13 VAL 14 HG13 VAL 14 -3.977 2.352 2.235 109 HG21 VAL 14 HG21 VAL 14 -0.852 0.397 2.409 110 HG22 VAL 14 HG22 VAL 14 -1.695 1.644 1.489 111 HG23 VAL 14 HG23 VAL 14 -2.313 -0.007 1.515 112 H LYS 15 HN LYS 15 -3.494 4.112 4.277 113 HA LYS 15 HA LYS 15 -4.768 3.350 6.801 114 HB2 LYS 15 HB2 LYS 15 -2.899 5.012 7.161 115 HB3 LYS 15 HB1 LYS 15 -3.769 6.104 6.099 116 HG2 LYS 15 HG2 LYS 15 -5.534 6.335 7.647 117 HG3 LYS 15 HG1 LYS 15 -4.880 5.058 8.693 118 HD2 LYS 15 HD2 LYS 15 -2.851 6.400 8.998 119 HD3 LYS 15 HD1 LYS 15 -3.561 7.682 8.016 120 HE2 LYS 15 HE2 LYS 15 -5.336 7.939 9.679 121 HE3 LYS 15 HE1 LYS 15 -4.621 6.640 10.638 122 HZ1 LYS 15 HZ1 LYS 15 -2.635 7.976 10.949 123 HZ2 LYS 15 HZ2 LYS 15 -3.987 8.895 11.401 124 HZ3 LYS 15 HZ3 LYS 15 -3.240 9.163 9.933 125 H TYR 16 HN TYR 16 -6.818 3.051 6.075 126 HA TYR 16 HA TYR 16 -7.885 4.876 4.044 127 HB2 TYR 16 HB2 TYR 16 -7.000 2.852 2.944 128 HB3 TYR 16 HB1 TYR 16 -8.016 1.853 3.972 129 HD1 TYR 16 HD2 TYR 16 -10.445 1.829 3.629 130 HD2 TYR 16 HD1 TYR 16 -7.870 3.968 1.035 131 HE1 TYR 16 HE2 TYR 16 -12.261 1.968 1.957 132 HE2 TYR 16 HE1 TYR 16 -9.673 4.099 -0.665 133 HH TYR 16 HH TYR 16 -11.738 2.812 -1.214 134 H GLY 17 HN GLY 17 -9.558 5.830 5.111 135 HA2 GLY 17 HA2 GLY 17 -11.906 4.485 5.300 136 HA3 GLY 17 HA1 GLY 17 -11.374 4.607 6.952 137 H ARG 18 HN ARG 18 -13.578 5.885 6.453 138 HA ARG 18 HA ARG 18 -12.802 8.688 6.063 139 HB2 ARG 18 HB2 ARG 18 -15.202 9.180 5.728 140 HB3 ARG 18 HB1 ARG 18 -14.626 8.021 4.552 141 HG2 ARG 18 HG2 ARG 18 -15.702 6.204 5.793 142 HG3 ARG 18 HG1 ARG 18 -16.226 7.334 7.027 143 HD2 ARG 18 HD2 ARG 18 -17.027 7.363 4.121 144 HD3 ARG 18 HD1 ARG 18 -18.044 6.873 5.476 145 HE ARG 18 HE ARG 18 -17.193 9.424 6.026 146 HH11 ARG 18 HH11 ARG 18 -19.234 7.844 3.615 147 HH12 ARG 18 HH12 ARG 18 -20.064 9.266 3.174 148 HH21 ARG 18 HH21 ARG 18 -18.351 11.392 5.392 149 HH22 ARG 18 HH22 ARG 18 -19.561 11.299 4.195 150 H GLY 19 HN GLY 19 -12.641 9.909 7.853 151 HA2 GLY 19 HA2 GLY 19 -12.817 10.620 10.001 152 HA3 GLY 19 HA1 GLY 19 -14.449 9.978 9.958 153 H LYS 20 HN LYS 20 -14.905 8.290 11.145 154 HA LYS 20 HA LYS 20 -13.010 7.374 13.105 155 HB2 LYS 20 HB2 LYS 20 -15.793 6.373 12.518 156 HB3 LYS 20 HB1 LYS 20 -14.841 5.995 13.943 157 HG2 LYS 20 HG2 LYS 20 -14.935 8.344 14.620 158 HG3 LYS 20 HG1 LYS 20 -15.885 8.713 13.177 159 HD2 LYS 20 HD2 LYS 20 -17.614 7.132 13.921 160 HD3 LYS 20 HD1 LYS 20 -16.673 6.800 15.371 161 HE2 LYS 20 HE2 LYS 20 -17.746 9.514 14.619 162 HE3 LYS 20 HE1 LYS 20 -18.540 8.390 15.720 163 HZ1 LYS 20 HZ1 LYS 20 -15.849 9.585 16.122 164 HZ2 LYS 20 HZ2 LYS 20 -16.624 8.530 17.183 165 HZ3 LYS 20 HZ3 LYS 20 -17.267 10.059 16.901 166 H THR 21 HN THR 21 -14.139 6.255 10.050 167 HA THR 21 HA THR 21 -13.532 3.486 10.616 168 HB THR 21 HB THR 21 -14.343 3.021 8.325 169 HG1 THR 21 HG1 THR 21 -14.819 5.823 8.179 170 HG21 THR 21 HG21 THR 21 -16.662 3.764 8.615 171 HG22 THR 21 HG22 THR 21 -16.141 4.900 9.849 172 HG23 THR 21 HG23 THR 21 -15.995 3.158 10.136 173 H GLN 22 HN GLN 22 -11.481 5.861 10.194 174 HA GLN 22 HA GLN 22 -9.908 4.803 7.983 175 HB2 GLN 22 HB2 GLN 22 -10.150 7.274 8.512 176 HB3 GLN 22 HB1 GLN 22 -9.147 6.978 9.924 177 HG2 GLN 22 HG2 GLN 22 -7.323 6.279 8.541 178 HG3 GLN 22 HG1 GLN 22 -8.310 6.417 7.085 179 HE21 GLN 22 HE21 GLN 22 -6.988 7.941 6.123 180 HE22 GLN 22 HE22 GLN 22 -6.893 9.574 6.673 181 H LYS 23 HN LYS 23 -9.134 2.897 8.341 182 HA LYS 23 HA LYS 23 -7.575 2.603 10.789 183 HB2 LYS 23 HB2 LYS 23 -7.804 0.072 10.559 184 HB3 LYS 23 HB1 LYS 23 -9.320 0.931 10.802 185 HG2 LYS 23 HG2 LYS 23 -8.549 0.281 8.063 186 HG3 LYS 23 HG1 LYS 23 -9.116 -1.003 9.137 187 HD2 LYS 23 HD2 LYS 23 -11.081 0.290 9.683 188 HD3 LYS 23 HD1 LYS 23 -10.519 1.604 8.652 189 HE2 LYS 23 HE2 LYS 23 -12.126 0.389 7.488 190 HE3 LYS 23 HE1 LYS 23 -10.495 0.088 6.831 191 HZ1 LYS 23 HZ1 LYS 23 -10.433 -2.054 7.737 192 HZ2 LYS 23 HZ2 LYS 23 -11.989 -1.955 7.082 193 HZ3 LYS 23 HZ3 LYS 23 -11.759 -1.780 8.743 194 H ILE 24 HN ILE 24 -5.711 1.122 10.622 195 HA ILE 24 HA ILE 24 -4.170 1.994 8.296 196 HB ILE 24 HB ILE 24 -3.239 1.163 11.061 197 HG12 ILE 24 HG12 ILE 24 -3.537 3.975 10.001 198 HG13 ILE 24 HG11 ILE 24 -4.729 3.198 11.033 199 HG21 ILE 24 HG21 ILE 24 -1.861 2.652 8.827 200 HG22 ILE 24 HG22 ILE 24 -1.538 0.988 9.312 201 HG23 ILE 24 HG23 ILE 24 -1.178 2.319 10.416 202 HD11 ILE 24 HD11 ILE 24 -3.256 4.663 12.297 203 HD12 ILE 24 HD12 ILE 24 -1.856 3.722 11.757 204 HD13 ILE 24 HD13 ILE 24 -3.095 2.974 12.777 205 H TYR 25 HN TYR 25 -2.916 0.482 7.226 206 HA TYR 25 HA TYR 25 -2.987 -2.365 8.021 207 HB2 TYR 25 HB2 TYR 25 -3.348 -1.376 5.196 208 HB3 TYR 25 HB1 TYR 25 -3.385 -3.027 5.748 209 HD1 TYR 25 HD2 TYR 25 -5.422 -3.901 6.837 210 HD2 TYR 25 HD1 TYR 25 -5.253 0.057 5.278 211 HE1 TYR 25 HE2 TYR 25 -7.877 -3.814 6.776 212 HE2 TYR 25 HE1 TYR 25 -7.700 0.142 5.199 213 HH TYR 25 HH TYR 25 -9.522 -1.520 5.011 214 H GLU 26 HN GLU 26 -1.224 -3.534 6.990 215 HA GLU 26 HA GLU 26 0.871 -1.900 5.727 216 HB2 GLU 26 HB2 GLU 26 0.992 -4.644 7.007 217 HB3 GLU 26 HB1 GLU 26 2.297 -3.972 6.045 218 HG2 GLU 26 HG2 GLU 26 2.478 -2.119 7.652 219 HG3 GLU 26 HG1 GLU 26 1.226 -2.877 8.626 220 H ALA 27 HN ALA 27 1.143 -2.207 3.556 221 HA ALA 27 HA ALA 27 -0.241 -4.498 2.353 222 HB1 ALA 27 HB1 ALA 27 -1.143 -3.111 0.638 223 HB2 ALA 27 HB2 ALA 27 -0.261 -1.717 1.248 224 HB3 ALA 27 HB3 ALA 27 -1.583 -2.388 2.191 225 H SER 28 HN SER 28 0.370 -4.632 -0.014 226 HA SER 28 HA SER 28 3.078 -3.684 -0.527 227 HB2 SER 28 HB2 SER 28 2.069 -6.478 -1.118 228 HB3 SER 28 HB1 SER 28 3.686 -5.833 -1.443 229 HG SER 28 HG SER 28 3.148 -5.376 1.083 230 H ILE 29 HN ILE 29 3.346 -2.912 -2.500 231 HA ILE 29 HA ILE 29 1.052 -2.268 -4.039 232 HB ILE 29 HB ILE 29 3.953 -2.073 -4.935 233 HG12 ILE 29 HG12 ILE 29 3.698 -0.885 -2.817 234 HG13 ILE 29 HG11 ILE 29 3.870 0.264 -4.133 235 HG21 ILE 29 HG21 ILE 29 2.349 -1.833 -6.747 236 HG22 ILE 29 HG22 ILE 29 3.142 -0.295 -6.409 237 HG23 ILE 29 HG23 ILE 29 1.496 -0.582 -5.846 238 HD11 ILE 29 HD11 ILE 29 2.191 1.043 -2.607 239 HD12 ILE 29 HD12 ILE 29 1.339 -0.492 -2.696 240 HD13 ILE 29 HD13 ILE 29 1.395 0.560 -4.110 241 H LYS 30 HN LYS 30 0.072 -3.371 -5.556 242 HA LYS 30 HA LYS 30 1.369 -5.784 -6.606 243 HB2 LYS 30 HB2 LYS 30 -0.810 -5.752 -5.119 244 HB3 LYS 30 HB1 LYS 30 -1.597 -5.247 -6.594 245 HG2 LYS 30 HG2 LYS 30 -0.041 -7.823 -6.290 246 HG3 LYS 30 HG1 LYS 30 -1.776 -7.666 -6.074 247 HD2 LYS 30 HD2 LYS 30 -0.332 -6.982 -8.623 248 HD3 LYS 30 HD1 LYS 30 -1.066 -8.550 -8.294 249 HE2 LYS 30 HE2 LYS 30 -2.537 -5.915 -8.303 250 HE3 LYS 30 HE1 LYS 30 -2.518 -7.051 -9.635 251 HZ1 LYS 30 HZ1 LYS 30 -3.504 -8.706 -8.066 252 HZ2 LYS 30 HZ2 LYS 30 -4.486 -7.411 -8.424 253 HZ3 LYS 30 HZ3 LYS 30 -3.712 -7.461 -6.935 254 H SER 31 HN SER 31 -0.379 -2.810 -7.384 255 HA SER 31 HA SER 31 0.759 -2.651 -9.968 256 HB2 SER 31 HB2 SER 31 -1.124 -4.255 -10.438 257 HB3 SER 31 HB1 SER 31 -2.261 -3.084 -9.789 258 HG SER 31 HG SER 31 -2.366 -2.582 -11.821 259 H THR 32 HN THR 32 -0.082 -0.532 -10.993 260 HA THR 32 HA THR 32 -1.390 1.246 -9.099 261 HB THR 32 HB THR 32 0.988 2.235 -10.580 262 HG1 THR 32 HG1 THR 32 0.842 0.682 -8.226 263 HG21 THR 32 HG21 THR 32 -0.512 3.801 -9.581 264 HG22 THR 32 HG22 THR 32 1.052 3.848 -8.760 265 HG23 THR 32 HG23 THR 32 -0.316 3.032 -8.006 266 H GLU 33 HN GLU 33 -2.557 2.756 -10.141 267 HA GLU 33 HA GLU 33 -2.294 3.114 -12.981 268 HB2 GLU 33 HB2 GLU 33 -4.822 1.980 -11.809 269 HB3 GLU 33 HB1 GLU 33 -4.759 2.820 -13.346 270 HG2 GLU 33 HG2 GLU 33 -3.134 1.175 -14.148 271 HG3 GLU 33 HG1 GLU 33 -3.332 0.264 -12.648 272 H ILE 34 HN ILE 34 -3.580 4.797 -13.776 273 HA ILE 34 HA ILE 34 -4.000 6.790 -11.689 274 HB ILE 34 HB ILE 34 -3.239 7.179 -14.594 275 HG12 ILE 34 HG12 ILE 34 -1.196 8.340 -13.655 276 HG13 ILE 34 HG11 ILE 34 -1.687 7.796 -12.062 277 HG21 ILE 34 HG21 ILE 34 -3.152 9.592 -14.167 278 HG22 ILE 34 HG22 ILE 34 -3.728 9.308 -12.524 279 HG23 ILE 34 HG23 ILE 34 -4.774 8.938 -13.893 280 HD11 ILE 34 HD11 ILE 34 0.089 6.407 -12.958 281 HD12 ILE 34 HD12 ILE 34 -0.899 6.031 -14.378 282 HD13 ILE 34 HD13 ILE 34 -1.405 5.485 -12.783 283 H ASP 35 HN ASP 35 -5.964 7.619 -11.504 284 HA ASP 35 HA ASP 35 -7.901 7.162 -13.653 285 HB2 ASP 35 HB2 ASP 35 -8.458 5.559 -11.899 286 HB3 ASP 35 HB1 ASP 35 -8.419 6.842 -10.691 287 H ASP 36 HN ASP 36 -8.093 9.024 -14.458 288 HA ASP 36 HA ASP 36 -8.421 11.161 -14.847 289 HB2 ASP 36 HB2 ASP 36 -10.675 10.516 -13.785 290 HB3 ASP 36 HB1 ASP 36 -10.106 11.371 -12.352 291 H GLY 37 HN GLY 37 -6.145 11.147 -14.219 292 HA2 GLY 37 HA2 GLY 37 -4.544 12.782 -13.774 293 HA3 GLY 37 HA1 GLY 37 -5.728 13.660 -12.835 294 H GLU 38 HN GLU 38 -6.188 11.130 -11.183 295 HA GLU 38 HA GLU 38 -3.734 11.455 -9.609 296 HB2 GLU 38 HB2 GLU 38 -5.057 10.943 -7.588 297 HB3 GLU 38 HB1 GLU 38 -5.555 12.412 -8.397 298 HG2 GLU 38 HG2 GLU 38 -7.419 10.979 -9.438 299 HG3 GLU 38 HG1 GLU 38 -6.958 9.785 -8.210 300 H VAL 39 HN VAL 39 -2.830 9.821 -8.542 301 HA VAL 39 HA VAL 39 -3.204 7.364 -10.036 302 HB VAL 39 HB VAL 39 -0.983 8.424 -10.180 303 HG11 VAL 39 HG11 VAL 39 -0.876 9.506 -8.082 304 HG12 VAL 39 HG12 VAL 39 0.542 8.469 -8.287 305 HG13 VAL 39 HG13 VAL 39 -0.782 7.966 -7.229 306 HG21 VAL 39 HG21 VAL 39 -0.921 5.768 -8.729 307 HG22 VAL 39 HG22 VAL 39 0.374 6.400 -9.731 308 HG23 VAL 39 HG23 VAL 39 -1.177 5.993 -10.444 309 H LEU 40 HN LEU 40 -3.895 5.622 -9.160 310 HA LEU 40 HA LEU 40 -3.995 5.507 -6.270 311 HB2 LEU 40 HB2 LEU 40 -5.966 4.332 -8.211 312 HB3 LEU 40 HB1 LEU 40 -5.952 4.027 -6.489 313 HG LEU 40 HG LEU 40 -6.189 6.706 -6.417 314 HD11 LEU 40 HD11 LEU 40 -7.627 7.500 -8.144 315 HD12 LEU 40 HD12 LEU 40 -7.346 5.998 -9.050 316 HD13 LEU 40 HD13 LEU 40 -6.003 7.089 -8.694 317 HD21 LEU 40 HD21 LEU 40 -8.558 6.346 -6.144 318 HD22 LEU 40 HD22 LEU 40 -7.606 5.029 -5.422 319 HD23 LEU 40 HD23 LEU 40 -8.423 4.777 -6.965 320 H TYR 41 HN TYR 41 -3.945 3.363 -5.459 321 HA TYR 41 HA TYR 41 -2.103 1.815 -7.120 322 HB2 TYR 41 HB2 TYR 41 -1.989 2.313 -4.144 323 HB3 TYR 41 HB1 TYR 41 -0.959 1.183 -5.007 324 HD1 TYR 41 HD1 TYR 41 -1.913 4.799 -5.019 325 HD2 TYR 41 HD2 TYR 41 1.117 1.917 -5.753 326 HE1 TYR 41 HE1 TYR 41 -0.306 6.606 -5.426 327 HE2 TYR 41 HE2 TYR 41 2.732 3.729 -6.161 328 HH TYR 41 HH TYR 41 2.677 6.146 -6.857 329 H LEU 42 HN LEU 42 -2.253 -0.328 -7.008 330 HA LEU 42 HA LEU 42 -4.604 -1.379 -5.654 331 HB2 LEU 42 HB2 LEU 42 -4.618 -1.688 -8.099 332 HB3 LEU 42 HB1 LEU 42 -3.020 -2.400 -8.021 333 HG LEU 42 HG LEU 42 -3.896 -4.348 -6.866 334 HD11 LEU 42 HD11 LEU 42 -5.659 -3.274 -5.583 335 HD12 LEU 42 HD12 LEU 42 -6.284 -4.635 -6.508 336 HD13 LEU 42 HD13 LEU 42 -6.578 -2.985 -7.062 337 HD21 LEU 42 HD21 LEU 42 -3.915 -4.349 -9.291 338 HD22 LEU 42 HD22 LEU 42 -5.525 -3.622 -9.292 339 HD23 LEU 42 HD23 LEU 42 -5.289 -5.248 -8.654 340 H VAL 43 HN VAL 43 -3.980 -2.123 -3.826 341 HA VAL 43 HA VAL 43 -1.297 -3.293 -3.579 342 HB VAL 43 HB VAL 43 -1.066 -2.295 -1.414 343 HG11 VAL 43 HG11 VAL 43 -0.539 -0.836 -3.245 344 HG12 VAL 43 HG12 VAL 43 -1.101 0.051 -1.827 345 HG13 VAL 43 HG13 VAL 43 -2.175 -0.183 -3.202 346 HG21 VAL 43 HG21 VAL 43 -3.912 -1.289 -1.675 347 HG22 VAL 43 HG22 VAL 43 -2.811 -0.912 -0.354 348 HG23 VAL 43 HG23 VAL 43 -3.373 -2.570 -0.589 349 H HIS 44 HN HIS 44 -1.191 -5.040 -2.193 350 HA HIS 44 HA HIS 44 -3.803 -5.971 -1.268 351 HB2 HIS 44 HB2 HIS 44 -3.220 -8.286 -1.595 352 HB3 HIS 44 HB1 HIS 44 -2.831 -7.461 -3.094 353 HD1 HIS 44 HD1 HIS 44 -1.316 -9.275 -0.221 354 HD2 HIS 44 HD2 HIS 44 -0.077 -7.443 -3.738 355 HE1 HIS 44 HE1 HIS 44 1.081 -9.965 -0.530 356 HE2 HIS 44 HE2 HIS 44 1.640 -9.152 -2.842 357 H TYR 45 HN TYR 45 -3.907 -6.651 0.763 358 HA TYR 45 HA TYR 45 -1.798 -5.650 2.435 359 HB2 TYR 45 HB2 TYR 45 -4.347 -7.093 3.237 360 HB3 TYR 45 HB1 TYR 45 -3.295 -6.169 4.301 361 HD1 TYR 45 HD2 TYR 45 -2.798 -3.706 2.947 362 HD2 TYR 45 HD1 TYR 45 -6.364 -5.986 2.990 363 HE1 TYR 45 HE2 TYR 45 -4.099 -1.669 2.405 364 HE2 TYR 45 HE1 TYR 45 -7.668 -3.974 2.448 365 HH TYR 45 HH TYR 45 -6.277 -1.091 1.390 366 H TYR 46 HN TYR 46 -0.647 -6.983 3.986 367 HA TYR 46 HA TYR 46 -0.729 -9.789 3.212 368 HB2 TYR 46 HB2 TYR 46 1.639 -10.039 3.387 369 HB3 TYR 46 HB1 TYR 46 1.375 -8.614 2.409 370 HD1 TYR 46 HD2 TYR 46 2.013 -6.368 3.310 371 HD2 TYR 46 HD1 TYR 46 2.664 -9.934 5.537 372 HE1 TYR 46 HE2 TYR 46 3.601 -5.171 4.774 373 HE2 TYR 46 HE1 TYR 46 4.232 -8.762 6.992 374 HH TYR 46 HH TYR 46 4.492 -5.473 7.197 375 H GLY 47 HN GLY 47 0.034 -11.243 4.937 376 HA2 GLY 47 HA2 GLY 47 0.496 -11.180 7.406 377 HA3 GLY 47 HA1 GLY 47 -1.008 -10.255 7.493 378 H TRP 48 HN TRP 48 -2.770 -11.376 7.793 379 HA TRP 48 HA TRP 48 -2.694 -14.191 7.065 380 HB2 TRP 48 HB2 TRP 48 -3.467 -13.699 9.379 381 HB3 TRP 48 HB1 TRP 48 -4.817 -12.774 8.706 382 HD1 TRP 48 HD1 TRP 48 -6.964 -14.117 8.195 383 HE1 TRP 48 HE1 TRP 48 -7.546 -16.617 7.973 384 HE3 TRP 48 HE3 TRP 48 -2.269 -16.111 8.644 385 HZ2 TRP 48 HZ2 TRP 48 -6.217 -19.078 8.004 386 HZ3 TRP 48 HZ3 TRP 48 -2.014 -18.555 8.532 387 HH2 TRP 48 HH2 TRP 48 -3.948 -20.010 8.218 388 H ASN 49 HN ASN 49 -4.515 -11.207 6.549 389 HA ASN 49 HA ASN 49 -5.809 -12.570 4.332 390 HB2 ASN 49 HB2 ASN 49 -6.971 -10.269 3.970 391 HB3 ASN 49 HB1 ASN 49 -7.455 -11.213 5.364 392 HD21 ASN 49 HD21 ASN 49 -5.637 -8.403 4.304 393 HD22 ASN 49 HD22 ASN 49 -5.599 -7.619 5.848 394 H VAL 50 HN VAL 50 -4.231 -12.957 3.041 395 HA VAL 50 HA VAL 50 -2.451 -10.842 2.123 396 HB VAL 50 HB VAL 50 -2.509 -13.766 1.320 397 HG11 VAL 50 HG11 VAL 50 -0.349 -11.690 0.974 398 HG12 VAL 50 HG12 VAL 50 -1.357 -12.363 -0.305 399 HG13 VAL 50 HG13 VAL 50 -0.213 -13.397 0.552 400 HG21 VAL 50 HG21 VAL 50 -0.651 -14.074 2.890 401 HG22 VAL 50 HG22 VAL 50 -2.112 -13.531 3.716 402 HG23 VAL 50 HG23 VAL 50 -0.805 -12.392 3.398 403 H ARG 51 HN ARG 51 -5.157 -12.704 1.117 404 HA ARG 51 HA ARG 51 -4.944 -11.963 -1.666 405 HB2 ARG 51 HB2 ARG 51 -7.044 -13.511 -0.159 406 HB3 ARG 51 HB1 ARG 51 -7.044 -13.249 -1.894 407 HG2 ARG 51 HG2 ARG 51 -5.056 -14.546 -2.160 408 HG3 ARG 51 HG1 ARG 51 -4.836 -14.665 -0.414 409 HD2 ARG 51 HD2 ARG 51 -7.140 -15.788 -2.003 410 HD3 ARG 51 HD1 ARG 51 -5.804 -16.715 -1.314 411 HE ARG 51 HE ARG 51 -6.705 -15.525 0.843 412 HH11 ARG 51 HH11 ARG 51 -8.534 -17.227 -1.681 413 HH12 ARG 51 HH12 ARG 51 -9.832 -17.619 -0.666 414 HH21 ARG 51 HH21 ARG 51 -8.489 -16.092 2.245 415 HH22 ARG 51 HH22 ARG 51 -9.800 -16.976 1.627 416 H TYR 52 HN TYR 52 -5.764 -10.178 0.857 417 HA TYR 52 HA TYR 52 -8.156 -9.102 -0.361 418 HB2 TYR 52 HB2 TYR 52 -7.852 -9.234 2.189 419 HB3 TYR 52 HB1 TYR 52 -6.741 -7.875 2.009 420 HD1 TYR 52 HD2 TYR 52 -7.628 -5.750 0.979 421 HD2 TYR 52 HD1 TYR 52 -10.174 -8.893 2.204 422 HE1 TYR 52 HE2 TYR 52 -9.516 -4.193 0.972 423 HE2 TYR 52 HE1 TYR 52 -12.105 -7.335 2.203 424 HH TYR 52 HH TYR 52 -11.865 -4.234 0.762 425 H ASP 53 HN ASP 53 -7.488 -8.458 -2.196 426 HA ASP 53 HA ASP 53 -5.298 -6.538 -2.584 427 HB2 ASP 53 HB2 ASP 53 -5.413 -8.672 -3.872 428 HB3 ASP 53 HB1 ASP 53 -6.990 -8.210 -4.464 429 H GLU 54 HN GLU 54 -5.951 -4.370 -2.656 430 HA GLU 54 HA GLU 54 -8.497 -3.671 -3.871 431 HB2 GLU 54 HB2 GLU 54 -9.004 -4.328 -1.475 432 HB3 GLU 54 HB1 GLU 54 -7.985 -2.994 -0.965 433 HG2 GLU 54 HG2 GLU 54 -9.476 -1.395 -1.854 434 HG3 GLU 54 HG1 GLU 54 -10.376 -2.629 -2.729 435 H TRP 55 HN TRP 55 -8.843 -1.277 -3.785 436 HA TRP 55 HA TRP 55 -6.343 -0.080 -4.666 437 HB2 TRP 55 HB2 TRP 55 -9.211 0.631 -5.147 438 HB3 TRP 55 HB1 TRP 55 -7.851 1.567 -5.727 439 HD1 TRP 55 HD1 TRP 55 -9.442 -1.926 -6.211 440 HE1 TRP 55 HE1 TRP 55 -8.736 -2.802 -8.531 441 HE3 TRP 55 HE3 TRP 55 -6.189 1.790 -7.500 442 HZ2 TRP 55 HZ2 TRP 55 -7.004 -2.004 -10.625 443 HZ3 TRP 55 HZ3 TRP 55 -5.039 1.656 -9.659 444 HH2 TRP 55 HH2 TRP 55 -5.440 -0.198 -11.186 445 H VAL 56 HN VAL 56 -5.429 1.411 -3.564 446 HA VAL 56 HA VAL 56 -7.023 3.204 -1.936 447 HB VAL 56 HB VAL 56 -5.288 3.289 -0.185 448 HG11 VAL 56 HG11 VAL 56 -7.117 1.747 0.156 449 HG12 VAL 56 HG12 VAL 56 -5.637 1.092 0.850 450 HG13 VAL 56 HG13 VAL 56 -6.239 0.472 -0.686 451 HG21 VAL 56 HG21 VAL 56 -3.918 1.056 -1.704 452 HG22 VAL 56 HG22 VAL 56 -3.446 1.648 -0.109 453 HG23 VAL 56 HG23 VAL 56 -3.333 2.707 -1.504 454 H LYS 57 HN LYS 57 -6.229 5.329 -1.976 455 HA LYS 57 HA LYS 57 -4.683 5.798 -4.352 456 HB2 LYS 57 HB2 LYS 57 -6.859 6.865 -3.914 457 HB3 LYS 57 HB1 LYS 57 -6.162 7.654 -2.517 458 HG2 LYS 57 HG2 LYS 57 -4.882 9.081 -3.812 459 HG3 LYS 57 HG1 LYS 57 -5.047 8.071 -5.257 460 HD2 LYS 57 HD2 LYS 57 -6.485 9.992 -5.470 461 HD3 LYS 57 HD1 LYS 57 -7.437 8.522 -5.270 462 HE2 LYS 57 HE2 LYS 57 -7.716 9.060 -2.877 463 HE3 LYS 57 HE1 LYS 57 -6.870 10.585 -3.143 464 HZ1 LYS 57 HZ1 LYS 57 -8.582 11.023 -4.884 465 HZ2 LYS 57 HZ2 LYS 57 -9.164 11.054 -3.288 466 HZ3 LYS 57 HZ3 LYS 57 -9.452 9.715 -4.281 467 H ALA 58 HN ALA 58 -3.056 7.593 -4.288 468 HA ALA 58 HA ALA 58 -0.865 7.057 -2.710 469 HB1 ALA 58 HB1 ALA 58 0.072 9.099 -3.580 470 HB2 ALA 58 HB2 ALA 58 -1.544 9.712 -3.936 471 HB3 ALA 58 HB3 ALA 58 -0.916 8.348 -4.844 472 H ASP 59 HN ASP 59 -3.507 9.138 -2.099 473 HA ASP 59 HA ASP 59 -2.453 10.655 0.059 474 HB2 ASP 59 HB2 ASP 59 -4.329 11.544 -1.107 475 HB3 ASP 59 HB1 ASP 59 -5.272 10.087 -0.845 476 H ARG 60 HN ARG 60 -3.690 7.465 -0.129 477 HA ARG 60 HA ARG 60 -4.205 7.377 2.743 478 HB2 ARG 60 HB2 ARG 60 -4.971 5.516 0.504 479 HB3 ARG 60 HB1 ARG 60 -5.239 5.151 2.198 480 HG2 ARG 60 HG2 ARG 60 -6.494 7.340 0.555 481 HG3 ARG 60 HG1 ARG 60 -7.288 5.944 1.281 482 HD2 ARG 60 HD2 ARG 60 -6.288 6.965 3.502 483 HD3 ARG 60 HD1 ARG 60 -6.308 8.447 2.553 484 HE ARG 60 HE ARG 60 -8.649 6.776 3.095 485 HH11 ARG 60 HH11 ARG 60 -7.253 10.000 2.427 486 HH12 ARG 60 HH12 ARG 60 -8.651 10.827 2.869 487 HH21 ARG 60 HH21 ARG 60 -10.598 7.999 3.663 488 HH22 ARG 60 HH22 ARG 60 -10.588 9.692 3.543 489 H ILE 61 HN ILE 61 -1.517 7.136 1.070 490 HA ILE 61 HA ILE 61 -0.713 4.613 2.291 491 HB ILE 61 HB ILE 61 0.278 5.867 -0.280 492 HG12 ILE 61 HG12 ILE 61 -1.370 3.383 0.211 493 HG13 ILE 61 HG11 ILE 61 -1.950 4.886 -0.496 494 HG21 ILE 61 HG21 ILE 61 1.584 3.830 -0.555 495 HG22 ILE 61 HG22 ILE 61 0.972 3.245 0.994 496 HG23 ILE 61 HG23 ILE 61 2.028 4.670 0.945 497 HD11 ILE 61 HD11 ILE 61 -0.457 4.563 -2.391 498 HD12 ILE 61 HD12 ILE 61 -1.561 3.195 -2.175 499 HD13 ILE 61 HD13 ILE 61 0.119 3.059 -1.660 500 H ILE 62 HN ILE 62 1.121 4.632 3.459 501 HA ILE 62 HA ILE 62 2.638 7.139 3.654 502 HB ILE 62 HB ILE 62 2.814 4.784 5.570 503 HG12 ILE 62 HG12 ILE 62 1.755 6.554 7.220 504 HG13 ILE 62 HG11 ILE 62 1.052 7.211 5.739 505 HG21 ILE 62 HG21 ILE 62 4.031 6.267 7.026 506 HG22 ILE 62 HG22 ILE 62 3.877 7.568 5.841 507 HG23 ILE 62 HG23 ILE 62 4.805 6.120 5.445 508 HD11 ILE 62 HD11 ILE 62 -0.543 5.773 6.786 509 HD12 ILE 62 HD12 ILE 62 0.643 4.503 6.979 510 HD13 ILE 62 HD13 ILE 62 0.060 4.918 5.357 511 H TRP 63 HN TRP 63 4.364 7.048 2.438 512 HA TRP 63 HA TRP 63 5.491 4.531 1.641 513 HB2 TRP 63 HB2 TRP 63 6.079 7.375 0.825 514 HB3 TRP 63 HB1 TRP 63 6.984 5.993 0.221 515 HD1 TRP 63 HD1 TRP 63 3.576 7.696 -0.082 516 HE1 TRP 63 HE1 TRP 63 2.347 6.679 -2.092 517 HE3 TRP 63 HE3 TRP 63 6.804 3.908 -1.139 518 HZ2 TRP 63 HZ2 TRP 63 2.713 4.542 -3.891 519 HZ3 TRP 63 HZ3 TRP 63 6.302 2.407 -3.030 520 HH2 TRP 63 HH2 TRP 63 4.294 2.721 -4.376 521 HA PRO 64 HA PRO 64 8.828 4.887 4.588 522 HB2 PRO 64 HB2 PRO 64 10.455 3.234 2.792 523 HB3 PRO 64 HB1 PRO 64 9.862 2.843 4.409 524 HG2 PRO 64 HG2 PRO 64 8.860 1.609 2.245 525 HG3 PRO 64 HG1 PRO 64 7.844 2.056 3.634 526 HD2 PRO 64 HD2 PRO 64 8.173 3.480 1.016 527 HD3 PRO 64 HD1 PRO 64 6.683 3.052 1.895 528 H LEU 65 HN LEU 65 9.931 6.546 4.773 529 HA LEU 65 HA LEU 65 12.134 7.459 3.342 530 HB2 LEU 65 HB2 LEU 65 10.144 7.835 1.681 531 HB3 LEU 65 HB1 LEU 65 9.590 9.017 2.832 532 HG LEU 65 HG LEU 65 12.142 9.155 1.227 533 HD11 LEU 65 HD11 LEU 65 9.536 10.626 1.031 534 HD12 LEU 65 HD12 LEU 65 10.138 9.404 -0.084 535 HD13 LEU 65 HD13 LEU 65 10.969 10.963 0.054 536 HD21 LEU 65 HD21 LEU 65 12.357 10.291 3.391 537 HD22 LEU 65 HD22 LEU 65 10.879 11.187 3.066 538 HD23 LEU 65 HD23 LEU 65 12.317 11.458 2.060 539 H ASP 66 HN ASP 66 12.689 7.548 5.533 540 HA ASP 66 HA ASP 66 12.742 8.258 7.726 541 HB2 ASP 66 HB2 ASP 66 13.134 10.451 6.457 542 HB3 ASP 66 HB1 ASP 66 11.411 10.747 6.547 543 H LYS 67 HN LYS 67 10.478 10.130 8.685 544 HA LYS 67 HA LYS 67 8.160 8.695 7.885 545 HB2 LYS 67 HB2 LYS 67 9.225 7.738 10.164 546 HB3 LYS 67 HB1 LYS 67 8.339 9.108 10.830 547 HG2 LYS 67 HG2 LYS 67 7.113 7.023 9.058 548 HG3 LYS 67 HG1 LYS 67 7.050 6.963 10.831 549 HD2 LYS 67 HD2 LYS 67 5.742 8.969 10.853 550 HD3 LYS 67 HD1 LYS 67 5.991 9.211 9.126 551 HE2 LYS 67 HE2 LYS 67 4.748 7.268 8.613 552 HE3 LYS 67 HE1 LYS 67 4.536 6.849 10.325 553 HZ1 LYS 67 HZ1 LYS 67 3.428 9.211 8.883 554 HZ2 LYS 67 HZ2 LYS 67 3.322 8.995 10.538 555 HZ3 LYS 67 HZ3 LYS 67 2.538 7.946 9.511 556 H GLY 68 HN GLY 68 8.741 10.887 6.940 557 HA2 GLY 68 HA2 GLY 68 7.588 12.923 8.630 558 HA3 GLY 68 HA1 GLY 68 8.484 13.225 7.123 559 H LEU 69 HN LEU 69 6.514 10.705 6.635 560 HA LEU 69 HA LEU 69 4.628 12.369 5.232 561 HB2 LEU 69 HB2 LEU 69 4.901 9.365 5.242 562 HB3 LEU 69 HB1 LEU 69 3.739 10.259 4.285 563 HG LEU 69 HG LEU 69 5.788 11.375 3.202 564 HD11 LEU 69 HD11 LEU 69 7.457 10.679 4.791 565 HD12 LEU 69 HD12 LEU 69 7.820 10.010 3.194 566 HD13 LEU 69 HD13 LEU 69 7.106 8.986 4.453 567 HD21 LEU 69 HD21 LEU 69 6.020 9.550 1.613 568 HD22 LEU 69 HD22 LEU 69 4.328 9.779 2.079 569 HD23 LEU 69 HD23 LEU 69 5.275 8.456 2.774 570 H GLU 70 HN GLU 70 3.108 13.117 6.334 571 HA GLU 70 HA GLU 70 1.308 11.342 7.653 572 HB2 GLU 70 HB2 GLU 70 2.806 13.445 9.091 573 HB3 GLU 70 HB1 GLU 70 1.072 13.386 9.391 574 HG2 GLU 70 HG2 GLU 70 3.049 11.156 9.777 575 HG3 GLU 70 HG1 GLU 70 2.207 12.067 11.038 576 H HIS 71 HN HIS 71 -0.539 11.695 6.866 577 HA HIS 71 HA HIS 71 -1.053 14.167 5.526 578 HB2 HIS 71 HB2 HIS 71 -2.715 11.654 5.860 579 HB3 HIS 71 HB1 HIS 71 -3.382 13.118 5.133 580 HD1 HIS 71 HD1 HIS 71 -3.250 13.021 2.599 581 HD2 HIS 71 HD2 HIS 71 -0.097 10.990 4.403 582 HE1 HIS 71 HE1 HIS 71 -1.774 12.347 0.775 583 HE2 HIS 71 HE2 HIS 71 0.247 11.413 1.887 584 H HIS 72 HN HIS 72 -2.220 15.794 6.248 585 HA HIS 72 HA HIS 72 -2.168 16.052 9.068 586 HB2 HIS 72 HB2 HIS 72 -1.692 17.850 7.304 587 HB3 HIS 72 HB1 HIS 72 -3.438 18.013 7.180 588 HD1 HIS 72 HD1 HIS 72 -3.771 20.268 8.219 589 HD2 HIS 72 HD2 HIS 72 -1.439 17.758 10.561 590 HE1 HIS 72 HE1 HIS 72 -3.359 21.518 10.356 591 HE2 HIS 72 HE2 HIS 72 -2.239 19.810 11.842 592 H HIS 73 HN HIS 73 -4.568 15.115 6.871 593 HA HIS 73 HA HIS 73 -6.590 14.241 7.113 594 HB2 HIS 73 HB2 HIS 73 -5.695 12.982 8.995 595 HB3 HIS 73 HB1 HIS 73 -5.981 14.329 10.078 596 HD1 HIS 73 HD1 HIS 73 -7.763 11.540 8.287 597 HD2 HIS 73 HD2 HIS 73 -8.582 14.486 11.098 598 HE1 HIS 73 HE1 HIS 73 -9.980 10.939 9.271 599 HE2 HIS 73 HE2 HIS 73 -10.275 12.554 11.163 600 H HIS 74 HN HIS 74 -7.092 16.283 6.188 601 HA HIS 74 HA HIS 74 -9.409 17.221 7.506 602 HB2 HIS 74 HB2 HIS 74 -7.109 18.737 7.978 603 HB3 HIS 74 HB1 HIS 74 -8.013 19.631 6.751 604 HD1 HIS 74 HD1 HIS 74 -8.361 18.255 10.232 605 HD2 HIS 74 HD2 HIS 74 -10.301 20.858 7.658 606 HE1 HIS 74 HE1 HIS 74 -10.125 19.398 11.626 607 HE2 HIS 74 HE2 HIS 74 -11.430 20.761 9.957 608 H HIS 75 HN HIS 75 -9.797 15.923 5.608 609 HA HIS 75 HA HIS 75 -10.266 17.710 3.368 610 HB2 HIS 75 HB2 HIS 75 -8.272 16.234 2.876 611 HB3 HIS 75 HB1 HIS 75 -9.330 14.847 3.064 612 HD1 HIS 75 HD1 HIS 75 -8.272 17.401 0.639 613 HD2 HIS 75 HD2 HIS 75 -11.330 14.612 0.986 614 HE1 HIS 75 HE1 HIS 75 -9.220 17.147 -1.669 615 HE2 HIS 75 HE2 HIS 75 -10.834 15.241 -1.460 616 H HIS 76 HN HIS 76 -12.411 17.817 3.472 617 HA HIS 76 HA HIS 76 -13.874 15.434 4.313 618 HB2 HIS 76 HB2 HIS 76 -14.175 17.626 5.553 619 HB3 HIS 76 HB1 HIS 76 -14.890 18.274 4.079 620 HD1 HIS 76 HD1 HIS 76 -17.128 17.004 3.290 621 HD2 HIS 76 HD2 HIS 76 -15.878 16.312 7.178 622 HE1 HIS 76 HE1 HIS 76 -19.128 16.049 4.484 623 HE2 HIS 76 HE2 HIS 76 -18.306 15.549 6.822 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 26.509 -5.652 -10.328 2 H2 GLU 1 HT2 GLU 1 26.101 -4.019 -10.071 3 H3 GLU 1 HT3 GLU 1 25.309 -4.909 -11.261 4 HA GLU 1 HA GLU 1 24.274 -6.282 -9.722 5 HB2 GLU 1 HB2 GLU 1 25.876 -4.758 -7.659 6 HB3 GLU 1 HB1 GLU 1 24.465 -5.712 -7.252 7 HG2 GLU 1 HG2 GLU 1 26.403 -6.989 -6.754 8 HG3 GLU 1 HG1 GLU 1 25.641 -7.713 -8.166 9 H ASP 2 HN ASP 2 22.414 -5.500 -10.351 10 HA ASP 2 HA ASP 2 21.409 -3.150 -9.023 11 HB2 ASP 2 HB2 ASP 2 20.693 -2.032 -11.067 12 HB3 ASP 2 HB1 ASP 2 22.443 -2.215 -11.078 13 H MET 3 HN MET 3 19.102 -2.839 -9.769 14 HA MET 3 HA MET 3 17.727 -5.107 -10.780 15 HB2 MET 3 HB2 MET 3 18.022 -5.787 -8.441 16 HB3 MET 3 HB1 MET 3 17.452 -4.224 -7.894 17 HG2 MET 3 HG2 MET 3 15.233 -4.712 -8.742 18 HG3 MET 3 HG1 MET 3 15.791 -6.273 -9.352 19 HE1 MET 3 HE1 MET 3 13.749 -7.374 -8.012 20 HE2 MET 3 HE2 MET 3 13.286 -5.809 -7.342 21 HE3 MET 3 HE3 MET 3 13.511 -7.191 -6.274 22 H GLU 4 HN GLU 4 15.742 -4.381 -11.533 23 HA GLU 4 HA GLU 4 15.439 -1.610 -11.945 24 HB2 GLU 4 HB2 GLU 4 13.394 -3.813 -12.208 25 HB3 GLU 4 HB1 GLU 4 13.276 -2.209 -12.897 26 HG2 GLU 4 HG2 GLU 4 15.114 -2.629 -14.368 27 HG3 GLU 4 HG1 GLU 4 15.422 -4.189 -13.603 28 HA PRO 5 HA PRO 5 13.570 -0.963 -7.910 29 HB2 PRO 5 HB2 PRO 5 13.193 1.816 -8.792 30 HB3 PRO 5 HB1 PRO 5 14.143 1.186 -7.440 31 HG2 PRO 5 HG2 PRO 5 15.333 2.194 -9.627 32 HG3 PRO 5 HG1 PRO 5 15.998 0.816 -8.725 33 HD2 PRO 5 HD2 PRO 5 14.412 0.800 -11.274 34 HD3 PRO 5 HD1 PRO 5 15.893 -0.089 -10.843 35 H CYS 6 HN CYS 6 11.779 -2.181 -8.556 36 HA CYS 6 HA CYS 6 9.598 -0.810 -9.826 37 HB2 CYS 6 HB2 CYS 6 9.836 -3.633 -8.773 38 HB3 CYS 6 HB1 CYS 6 8.421 -2.999 -9.612 39 HG CYS 6 HG CYS 6 9.749 -2.530 -12.005 40 H LEU 7 HN LEU 7 7.647 -0.341 -8.826 41 HA LEU 7 HA LEU 7 7.929 0.127 -5.996 42 HB2 LEU 7 HB2 LEU 7 5.991 1.491 -6.082 43 HB3 LEU 7 HB1 LEU 7 6.907 1.843 -7.521 44 HG LEU 7 HG LEU 7 4.384 0.177 -7.394 45 HD11 LEU 7 HD11 LEU 7 4.863 2.956 -8.433 46 HD12 LEU 7 HD12 LEU 7 4.031 2.526 -6.946 47 HD13 LEU 7 HD13 LEU 7 3.337 2.069 -8.504 48 HD21 LEU 7 HD21 LEU 7 5.799 -0.543 -9.251 49 HD22 LEU 7 HD22 LEU 7 5.959 1.126 -9.796 50 HD23 LEU 7 HD23 LEU 7 4.387 0.326 -9.852 51 H THR 8 HN THR 8 6.530 -2.205 -8.022 52 HA THR 8 HA THR 8 4.567 -3.171 -6.260 53 HB THR 8 HB THR 8 4.817 -5.195 -7.855 54 HG1 THR 8 HG1 THR 8 6.728 -4.924 -8.823 55 HG21 THR 8 HG21 THR 8 3.627 -3.988 -9.635 56 HG22 THR 8 HG22 THR 8 4.149 -2.453 -8.942 57 HG23 THR 8 HG23 THR 8 3.046 -3.498 -8.044 58 H GLY 9 HN GLY 9 4.685 -4.809 -4.809 59 HA2 GLY 9 HA2 GLY 9 5.694 -6.600 -3.653 60 HA3 GLY 9 HA1 GLY 9 7.229 -6.194 -4.411 61 H THR 10 HN THR 10 6.557 -3.299 -3.662 62 HA THR 10 HA THR 10 8.114 -3.164 -1.313 63 HB THR 10 HB THR 10 6.269 -1.086 -2.437 64 HG1 THR 10 HG1 THR 10 7.536 -1.279 -4.103 65 HG21 THR 10 HG21 THR 10 7.855 0.535 -1.475 66 HG22 THR 10 HG22 THR 10 8.823 -0.792 -0.831 67 HG23 THR 10 HG23 THR 10 7.180 -0.521 -0.236 68 H LYS 11 HN LYS 11 7.477 -3.385 0.697 69 HA LYS 11 HA LYS 11 4.654 -3.610 1.278 70 HB2 LYS 11 HB2 LYS 11 7.037 -4.178 3.068 71 HB3 LYS 11 HB1 LYS 11 5.346 -4.500 3.456 72 HG2 LYS 11 HG2 LYS 11 5.195 -6.069 1.601 73 HG3 LYS 11 HG1 LYS 11 6.875 -5.752 1.185 74 HD2 LYS 11 HD2 LYS 11 7.574 -6.652 3.355 75 HD3 LYS 11 HD1 LYS 11 5.883 -6.953 3.767 76 HE2 LYS 11 HE2 LYS 11 5.679 -8.482 1.880 77 HE3 LYS 11 HE1 LYS 11 7.347 -8.163 1.418 78 HZ1 LYS 11 HZ1 LYS 11 6.474 -9.443 3.959 79 HZ2 LYS 11 HZ2 LYS 11 8.060 -9.187 3.512 80 HZ3 LYS 11 HZ3 LYS 11 7.087 -10.242 2.629 81 H VAL 12 HN VAL 12 3.601 -1.956 1.782 82 HA VAL 12 HA VAL 12 4.933 0.350 3.017 83 HB VAL 12 HB VAL 12 3.295 1.768 1.848 84 HG11 VAL 12 HG11 VAL 12 4.133 1.513 -0.434 85 HG12 VAL 12 HG12 VAL 12 4.725 -0.096 -0.039 86 HG13 VAL 12 HG13 VAL 12 5.437 1.315 0.737 87 HG21 VAL 12 HG21 VAL 12 1.464 0.137 1.722 88 HG22 VAL 12 HG22 VAL 12 2.360 -0.779 0.508 89 HG23 VAL 12 HG23 VAL 12 1.803 0.858 0.150 90 H LYS 13 HN LYS 13 3.057 1.830 3.883 91 HA LYS 13 HA LYS 13 1.306 0.210 5.571 92 HB2 LYS 13 HB2 LYS 13 3.200 2.294 6.056 93 HB3 LYS 13 HB1 LYS 13 1.594 2.923 6.369 94 HG2 LYS 13 HG2 LYS 13 2.754 0.463 7.625 95 HG3 LYS 13 HG1 LYS 13 2.692 2.072 8.375 96 HD2 LYS 13 HD2 LYS 13 0.179 1.903 7.858 97 HD3 LYS 13 HD1 LYS 13 0.490 0.178 7.709 98 HE2 LYS 13 HE2 LYS 13 1.065 1.918 10.060 99 HE3 LYS 13 HE1 LYS 13 -0.283 0.807 9.915 100 HZ1 LYS 13 HZ1 LYS 13 1.409 -0.241 11.243 101 HZ2 LYS 13 HZ2 LYS 13 2.612 0.100 10.140 102 HZ3 LYS 13 HZ3 LYS 13 1.420 -1.038 9.770 103 H VAL 14 HN VAL 14 -0.939 0.797 5.438 104 HA VAL 14 HA VAL 14 -1.617 2.943 3.520 105 HB VAL 14 HB VAL 14 -2.904 0.188 3.650 106 HG11 VAL 14 HG11 VAL 14 -4.539 1.887 3.092 107 HG12 VAL 14 HG12 VAL 14 -4.185 0.886 1.681 108 HG13 VAL 14 HG13 VAL 14 -3.489 2.501 1.816 109 HG21 VAL 14 HG21 VAL 14 -0.726 0.096 2.573 110 HG22 VAL 14 HG22 VAL 14 -1.187 1.412 1.489 111 HG23 VAL 14 HG23 VAL 14 -2.009 -0.146 1.388 112 H LYS 15 HN LYS 15 -3.364 4.205 4.113 113 HA LYS 15 HA LYS 15 -4.671 3.535 6.680 114 HB2 LYS 15 HB2 LYS 15 -4.352 6.190 5.282 115 HB3 LYS 15 HB1 LYS 15 -5.221 5.957 6.806 116 HG2 LYS 15 HG2 LYS 15 -3.031 5.112 7.732 117 HG3 LYS 15 HG1 LYS 15 -2.339 5.658 6.193 118 HD2 LYS 15 HD2 LYS 15 -3.782 7.427 8.178 119 HD3 LYS 15 HD1 LYS 15 -2.034 7.310 8.019 120 HE2 LYS 15 HE2 LYS 15 -2.214 8.132 5.700 121 HE3 LYS 15 HE1 LYS 15 -3.956 8.293 5.902 122 HZ1 LYS 15 HZ1 LYS 15 -3.487 9.855 7.760 123 HZ2 LYS 15 HZ2 LYS 15 -2.902 10.427 6.285 124 HZ3 LYS 15 HZ3 LYS 15 -1.854 9.763 7.395 125 H TYR 16 HN TYR 16 -6.625 2.564 6.251 126 HA TYR 16 HA TYR 16 -8.257 3.864 4.234 127 HB2 TYR 16 HB2 TYR 16 -7.094 2.119 3.038 128 HB3 TYR 16 HB1 TYR 16 -7.582 0.920 4.213 129 HD1 TYR 16 HD1 TYR 16 -8.756 3.114 1.477 130 HD2 TYR 16 HD2 TYR 16 -9.756 -0.138 4.037 131 HE1 TYR 16 HE1 TYR 16 -10.700 2.594 0.060 132 HE2 TYR 16 HE2 TYR 16 -11.689 -0.655 2.641 133 HH TYR 16 HH TYR 16 -12.143 0.749 -0.450 134 H GLY 17 HN GLY 17 -9.844 4.530 5.488 135 HA2 GLY 17 HA2 GLY 17 -11.877 2.774 5.796 136 HA3 GLY 17 HA1 GLY 17 -11.275 2.968 7.410 137 H ARG 18 HN ARG 18 -13.756 3.856 7.059 138 HA ARG 18 HA ARG 18 -13.337 6.715 6.819 139 HB2 ARG 18 HB2 ARG 18 -15.708 6.992 6.110 140 HB3 ARG 18 HB1 ARG 18 -14.756 6.060 4.987 141 HG2 ARG 18 HG2 ARG 18 -16.734 4.879 4.985 142 HG3 ARG 18 HG1 ARG 18 -15.844 4.011 6.236 143 HD2 ARG 18 HD2 ARG 18 -17.023 5.193 7.970 144 HD3 ARG 18 HD1 ARG 18 -17.789 6.251 6.792 145 HE ARG 18 HE ARG 18 -18.344 3.482 6.356 146 HH11 ARG 18 HH11 ARG 18 -19.372 6.381 8.096 147 HH12 ARG 18 HH12 ARG 18 -20.974 5.857 8.352 148 HH21 ARG 18 HH21 ARG 18 -20.559 2.748 6.681 149 HH22 ARG 18 HH22 ARG 18 -21.664 3.734 7.513 150 H GLY 19 HN GLY 19 -13.353 7.772 8.613 151 HA2 GLY 19 HA2 GLY 19 -13.709 8.408 10.782 152 HA3 GLY 19 HA1 GLY 19 -15.353 7.859 10.531 153 H LYS 20 HN LYS 20 -16.031 6.095 11.542 154 HA LYS 20 HA LYS 20 -14.562 5.041 13.742 155 HB2 LYS 20 HB2 LYS 20 -16.994 5.412 13.803 156 HB3 LYS 20 HB1 LYS 20 -17.228 4.285 12.490 157 HG2 LYS 20 HG2 LYS 20 -16.075 3.366 15.099 158 HG3 LYS 20 HG1 LYS 20 -17.812 3.594 14.916 159 HD2 LYS 20 HD2 LYS 20 -17.796 1.992 13.032 160 HD3 LYS 20 HD1 LYS 20 -16.061 1.757 13.265 161 HE2 LYS 20 HE2 LYS 20 -16.483 0.966 15.536 162 HE3 LYS 20 HE1 LYS 20 -18.212 1.185 15.295 163 HZ1 LYS 20 HZ1 LYS 20 -16.512 -0.658 13.704 164 HZ2 LYS 20 HZ2 LYS 20 -18.191 -0.535 13.613 165 HZ3 LYS 20 HZ3 LYS 20 -17.452 -1.131 15.003 166 H THR 21 HN THR 21 -15.119 4.132 10.494 167 HA THR 21 HA THR 21 -14.255 1.388 10.745 168 HB THR 21 HB THR 21 -14.857 3.045 8.284 169 HG1 THR 21 HG1 THR 21 -16.848 1.452 9.347 170 HG21 THR 21 HG21 THR 21 -15.218 0.078 8.815 171 HG22 THR 21 HG22 THR 21 -13.884 0.788 7.900 172 HG23 THR 21 HG23 THR 21 -15.538 0.938 7.301 173 H GLN 22 HN GLN 22 -12.643 4.287 10.792 174 HA GLN 22 HA GLN 22 -10.651 3.986 8.742 175 HB2 GLN 22 HB2 GLN 22 -11.428 6.128 9.995 176 HB3 GLN 22 HB1 GLN 22 -10.300 5.621 11.232 177 HG2 GLN 22 HG2 GLN 22 -9.590 6.124 8.376 178 HG3 GLN 22 HG1 GLN 22 -9.388 7.345 9.647 179 HE21 GLN 22 HE21 GLN 22 -8.085 4.775 7.906 180 HE22 GLN 22 HE22 GLN 22 -6.638 4.552 8.825 181 H LYS 23 HN LYS 23 -9.202 2.475 8.706 182 HA LYS 23 HA LYS 23 -7.696 2.073 11.109 183 HB2 LYS 23 HB2 LYS 23 -7.613 -0.453 10.627 184 HB3 LYS 23 HB1 LYS 23 -9.037 0.201 11.407 185 HG2 LYS 23 HG2 LYS 23 -10.185 0.135 9.274 186 HG3 LYS 23 HG1 LYS 23 -8.740 -0.592 8.543 187 HD2 LYS 23 HD2 LYS 23 -8.824 -2.426 10.031 188 HD3 LYS 23 HD1 LYS 23 -10.090 -1.657 10.977 189 HE2 LYS 23 HE2 LYS 23 -10.325 -2.553 8.130 190 HE3 LYS 23 HE1 LYS 23 -10.941 -3.460 9.518 191 HZ1 LYS 23 HZ1 LYS 23 -11.853 -0.767 8.620 192 HZ2 LYS 23 HZ2 LYS 23 -12.440 -1.590 9.990 193 HZ3 LYS 23 HZ3 LYS 23 -12.697 -2.212 8.461 194 H ILE 24 HN ILE 24 -5.631 0.993 10.722 195 HA ILE 24 HA ILE 24 -4.711 1.821 8.079 196 HB ILE 24 HB ILE 24 -3.088 1.961 10.665 197 HG12 ILE 24 HG12 ILE 24 -3.169 4.520 10.201 198 HG13 ILE 24 HG11 ILE 24 -4.554 4.156 9.190 199 HG21 ILE 24 HG21 ILE 24 -2.477 3.033 7.925 200 HG22 ILE 24 HG22 ILE 24 -1.773 1.604 8.667 201 HG23 ILE 24 HG23 ILE 24 -1.454 3.194 9.356 202 HD11 ILE 24 HD11 ILE 24 -5.265 4.935 11.376 203 HD12 ILE 24 HD12 ILE 24 -4.328 3.670 12.162 204 HD13 ILE 24 HD13 ILE 24 -5.717 3.244 11.168 205 H TYR 25 HN TYR 25 -3.697 0.308 6.943 206 HA TYR 25 HA TYR 25 -3.248 -2.323 8.217 207 HB2 TYR 25 HB2 TYR 25 -3.680 -1.733 5.311 208 HB3 TYR 25 HB1 TYR 25 -3.600 -3.305 6.069 209 HD1 TYR 25 HD2 TYR 25 -5.549 -3.863 7.735 210 HD2 TYR 25 HD1 TYR 25 -5.653 -0.719 4.874 211 HE1 TYR 25 HE2 TYR 25 -8.015 -3.907 7.762 212 HE2 TYR 25 HE1 TYR 25 -8.098 -0.776 4.898 213 HH TYR 25 HH TYR 25 -9.783 -2.555 5.374 214 H GLU 26 HN GLU 26 -1.548 -3.570 7.212 215 HA GLU 26 HA GLU 26 0.622 -1.985 6.035 216 HB2 GLU 26 HB2 GLU 26 0.679 -4.616 7.553 217 HB3 GLU 26 HB1 GLU 26 2.097 -3.786 6.906 218 HG2 GLU 26 HG2 GLU 26 1.740 -1.925 8.332 219 HG3 GLU 26 HG1 GLU 26 0.218 -2.585 8.920 220 H ALA 27 HN ALA 27 1.147 -2.546 3.917 221 HA ALA 27 HA ALA 27 0.082 -5.026 2.817 222 HB1 ALA 27 HB1 ALA 27 -1.761 -3.414 2.610 223 HB2 ALA 27 HB2 ALA 27 -1.125 -3.879 1.034 224 HB3 ALA 27 HB3 ALA 27 -0.693 -2.319 1.732 225 H SER 28 HN SER 28 0.570 -4.897 0.308 226 HA SER 28 HA SER 28 3.240 -3.753 -0.111 227 HB2 SER 28 HB2 SER 28 2.089 -6.306 -1.262 228 HB3 SER 28 HB1 SER 28 3.746 -5.716 -1.434 229 HG SER 28 HG SER 28 3.054 -5.821 1.135 230 H ILE 29 HN ILE 29 3.558 -3.039 -2.315 231 HA ILE 29 HA ILE 29 1.088 -2.170 -3.534 232 HB ILE 29 HB ILE 29 3.939 -1.726 -4.478 233 HG12 ILE 29 HG12 ILE 29 3.566 -0.683 -2.312 234 HG13 ILE 29 HG11 ILE 29 3.652 0.555 -3.553 235 HG21 ILE 29 HG21 ILE 29 1.366 -0.433 -5.382 236 HG22 ILE 29 HG22 ILE 29 2.394 -1.503 -6.337 237 HG23 ILE 29 HG23 ILE 29 2.979 0.093 -5.856 238 HD11 ILE 29 HD11 ILE 29 1.901 1.091 -1.998 239 HD12 ILE 29 HD12 ILE 29 1.154 -0.488 -2.207 240 HD13 ILE 29 HD13 ILE 29 1.161 0.664 -3.542 241 H LYS 30 HN LYS 30 0.054 -3.079 -5.117 242 HA LYS 30 HA LYS 30 1.136 -5.530 -6.283 243 HB2 LYS 30 HB2 LYS 30 -0.904 -5.761 -5.001 244 HB3 LYS 30 HB1 LYS 30 -1.679 -4.490 -5.925 245 HG2 LYS 30 HG2 LYS 30 -2.527 -6.639 -6.564 246 HG3 LYS 30 HG1 LYS 30 -1.608 -5.945 -7.899 247 HD2 LYS 30 HD2 LYS 30 0.274 -7.363 -7.392 248 HD3 LYS 30 HD1 LYS 30 -0.540 -7.977 -5.947 249 HE2 LYS 30 HE2 LYS 30 -1.618 -8.232 -8.728 250 HE3 LYS 30 HE1 LYS 30 -0.653 -9.489 -7.939 251 HZ1 LYS 30 HZ1 LYS 30 -3.293 -8.457 -6.934 252 HZ2 LYS 30 HZ2 LYS 30 -2.351 -9.619 -6.223 253 HZ3 LYS 30 HZ3 LYS 30 -3.027 -9.926 -7.730 254 H SER 31 HN SER 31 -0.648 -2.549 -7.191 255 HA SER 31 HA SER 31 0.699 -2.397 -9.726 256 HB2 SER 31 HB2 SER 31 -2.325 -2.809 -9.697 257 HB3 SER 31 HB1 SER 31 -1.346 -2.440 -11.112 258 HG SER 31 HG SER 31 -0.347 -4.563 -9.856 259 H THR 32 HN THR 32 -0.185 -0.306 -10.915 260 HA THR 32 HA THR 32 -1.675 1.497 -9.194 261 HB THR 32 HB THR 32 0.845 2.540 -10.418 262 HG1 THR 32 HG1 THR 32 0.524 0.930 -8.145 263 HG21 THR 32 HG21 THR 32 0.645 4.178 -8.643 264 HG22 THR 32 HG22 THR 32 -0.769 3.328 -8.023 265 HG23 THR 32 HG23 THR 32 -0.814 4.066 -9.624 266 H GLU 33 HN GLU 33 -2.700 3.049 -10.419 267 HA GLU 33 HA GLU 33 -2.030 3.441 -13.173 268 HB2 GLU 33 HB2 GLU 33 -4.143 2.840 -14.076 269 HB3 GLU 33 HB1 GLU 33 -3.350 1.481 -13.221 270 HG2 GLU 33 HG2 GLU 33 -4.849 1.667 -11.399 271 HG3 GLU 33 HG1 GLU 33 -5.613 3.101 -12.087 272 H ILE 34 HN ILE 34 -3.521 5.049 -14.144 273 HA ILE 34 HA ILE 34 -4.216 6.942 -12.038 274 HB ILE 34 HB ILE 34 -3.322 7.504 -14.874 275 HG12 ILE 34 HG12 ILE 34 -1.447 8.796 -13.791 276 HG13 ILE 34 HG11 ILE 34 -1.985 8.192 -12.238 277 HG21 ILE 34 HG21 ILE 34 -3.482 9.903 -14.340 278 HG22 ILE 34 HG22 ILE 34 -4.172 9.491 -12.769 279 HG23 ILE 34 HG23 ILE 34 -5.046 9.093 -14.243 280 HD11 ILE 34 HD11 ILE 34 -0.056 6.956 -13.029 281 HD12 ILE 34 HD12 ILE 34 -0.934 6.512 -14.510 282 HD13 ILE 34 HD13 ILE 34 -1.500 5.943 -12.939 283 H ASP 35 HN ASP 35 -6.285 7.499 -11.971 284 HA ASP 35 HA ASP 35 -7.953 6.905 -14.331 285 HB2 ASP 35 HB2 ASP 35 -8.190 5.231 -12.385 286 HB3 ASP 35 HB1 ASP 35 -8.917 6.556 -11.491 287 H ASP 36 HN ASP 36 -8.243 8.875 -15.019 288 HA ASP 36 HA ASP 36 -8.924 10.999 -15.210 289 HB2 ASP 36 HB2 ASP 36 -11.083 9.900 -14.433 290 HB3 ASP 36 HB1 ASP 36 -10.706 10.510 -12.833 291 H GLY 37 HN GLY 37 -6.657 11.269 -14.343 292 HA2 GLY 37 HA2 GLY 37 -5.430 13.069 -13.547 293 HA3 GLY 37 HA1 GLY 37 -6.829 13.590 -12.633 294 H GLU 38 HN GLU 38 -6.951 10.826 -11.356 295 HA GLU 38 HA GLU 38 -4.799 11.364 -9.407 296 HB2 GLU 38 HB2 GLU 38 -6.250 10.268 -7.729 297 HB3 GLU 38 HB1 GLU 38 -6.976 11.718 -8.399 298 HG2 GLU 38 HG2 GLU 38 -8.394 10.352 -9.827 299 HG3 GLU 38 HG1 GLU 38 -7.645 8.892 -9.194 300 H VAL 39 HN VAL 39 -3.617 9.774 -8.563 301 HA VAL 39 HA VAL 39 -3.633 7.404 -10.218 302 HB VAL 39 HB VAL 39 -1.540 8.679 -10.295 303 HG11 VAL 39 HG11 VAL 39 -1.594 9.748 -8.196 304 HG12 VAL 39 HG12 VAL 39 -0.067 8.862 -8.357 305 HG13 VAL 39 HG13 VAL 39 -1.381 8.214 -7.357 306 HG21 VAL 39 HG21 VAL 39 -1.439 6.253 -10.586 307 HG22 VAL 39 HG22 VAL 39 -1.194 6.025 -8.869 308 HG23 VAL 39 HG23 VAL 39 0.036 6.825 -9.827 309 H LEU 40 HN LEU 40 -4.213 5.630 -9.542 310 HA LEU 40 HA LEU 40 -4.808 5.265 -6.716 311 HB2 LEU 40 HB2 LEU 40 -6.015 3.964 -9.142 312 HB3 LEU 40 HB1 LEU 40 -6.476 3.679 -7.473 313 HG LEU 40 HG LEU 40 -6.816 6.255 -8.992 314 HD11 LEU 40 HD11 LEU 40 -8.340 4.515 -9.713 315 HD12 LEU 40 HD12 LEU 40 -9.202 5.758 -8.806 316 HD13 LEU 40 HD13 LEU 40 -8.818 4.215 -8.042 317 HD21 LEU 40 HD21 LEU 40 -6.359 6.682 -6.649 318 HD22 LEU 40 HD22 LEU 40 -7.590 5.514 -6.168 319 HD23 LEU 40 HD23 LEU 40 -8.053 7.000 -7.004 320 H TYR 41 HN TYR 41 -4.136 3.578 -5.795 321 HA TYR 41 HA TYR 41 -2.180 1.873 -7.120 322 HB2 TYR 41 HB2 TYR 41 -2.455 2.844 -4.291 323 HB3 TYR 41 HB1 TYR 41 -1.457 1.461 -4.709 324 HD1 TYR 41 HD1 TYR 41 -1.942 5.076 -5.538 325 HD2 TYR 41 HD2 TYR 41 0.718 1.778 -5.312 326 HE1 TYR 41 HE1 TYR 41 -0.039 6.572 -6.017 327 HE2 TYR 41 HE2 TYR 41 2.604 3.250 -5.789 328 HH TYR 41 HH TYR 41 3.036 5.376 -6.849 329 H LEU 42 HN LEU 42 -2.310 -0.210 -6.851 330 HA LEU 42 HA LEU 42 -4.667 -1.314 -5.526 331 HB2 LEU 42 HB2 LEU 42 -4.359 -1.779 -7.989 332 HB3 LEU 42 HB1 LEU 42 -2.812 -2.499 -7.612 333 HG LEU 42 HG LEU 42 -3.964 -4.268 -6.323 334 HD11 LEU 42 HD11 LEU 42 -5.932 -3.127 -5.617 335 HD12 LEU 42 HD12 LEU 42 -6.436 -4.480 -6.648 336 HD13 LEU 42 HD13 LEU 42 -6.419 -2.843 -7.279 337 HD21 LEU 42 HD21 LEU 42 -4.928 -5.440 -8.248 338 HD22 LEU 42 HD22 LEU 42 -3.410 -4.648 -8.668 339 HD23 LEU 42 HD23 LEU 42 -4.946 -3.929 -9.158 340 H VAL 43 HN VAL 43 -4.127 -2.140 -3.626 341 HA VAL 43 HA VAL 43 -1.322 -2.869 -3.186 342 HB VAL 43 HB VAL 43 -1.430 -2.049 -0.923 343 HG11 VAL 43 HG11 VAL 43 -0.873 -0.410 -2.560 344 HG12 VAL 43 HG12 VAL 43 -1.756 0.321 -1.221 345 HG13 VAL 43 HG13 VAL 43 -2.572 0.015 -2.753 346 HG21 VAL 43 HG21 VAL 43 -3.756 -2.644 -0.363 347 HG22 VAL 43 HG22 VAL 43 -4.340 -1.371 -1.437 348 HG23 VAL 43 HG23 VAL 43 -3.442 -0.949 0.020 349 H HIS 44 HN HIS 44 -0.927 -4.549 -1.912 350 HA HIS 44 HA HIS 44 -3.088 -6.531 -1.726 351 HB2 HIS 44 HB2 HIS 44 -1.557 -7.094 -3.513 352 HB3 HIS 44 HB1 HIS 44 -0.167 -6.841 -2.464 353 HD1 HIS 44 HD1 HIS 44 -3.043 -9.127 -2.974 354 HD2 HIS 44 HD2 HIS 44 0.628 -9.078 -1.080 355 HE1 HIS 44 HE1 HIS 44 -2.689 -11.503 -2.088 356 HE2 HIS 44 HE2 HIS 44 -0.269 -11.450 -1.435 357 H TYR 45 HN TYR 45 -3.506 -6.893 0.347 358 HA TYR 45 HA TYR 45 -1.651 -6.396 2.456 359 HB2 TYR 45 HB2 TYR 45 -4.161 -8.110 2.490 360 HB3 TYR 45 HB1 TYR 45 -3.355 -7.414 3.893 361 HD1 TYR 45 HD2 TYR 45 -3.093 -4.786 3.793 362 HD2 TYR 45 HD1 TYR 45 -5.999 -6.999 1.625 363 HE1 TYR 45 HE2 TYR 45 -4.463 -2.764 3.569 364 HE2 TYR 45 HE1 TYR 45 -7.370 -4.970 1.390 365 HH TYR 45 HH TYR 45 -7.666 -2.826 2.588 366 H TYR 46 HN TYR 46 -0.166 -7.799 3.295 367 HA TYR 46 HA TYR 46 0.377 -9.988 1.572 368 HB2 TYR 46 HB2 TYR 46 2.478 -10.332 2.881 369 HB3 TYR 46 HB1 TYR 46 2.302 -8.731 2.196 370 HD1 TYR 46 HD2 TYR 46 2.403 -10.700 5.285 371 HD2 TYR 46 HD1 TYR 46 2.093 -6.783 3.652 372 HE1 TYR 46 HE2 TYR 46 2.933 -9.747 7.486 373 HE2 TYR 46 HE1 TYR 46 2.635 -5.822 5.853 374 HH TYR 46 HH TYR 46 3.851 -7.719 8.400 375 H GLY 47 HN GLY 47 -1.494 -9.798 4.243 376 HA2 GLY 47 HA2 GLY 47 -1.139 -12.401 5.300 377 HA3 GLY 47 HA1 GLY 47 -2.607 -11.426 5.414 378 H TRP 48 HN TRP 48 -3.764 -11.194 3.185 379 HA TRP 48 HA TRP 48 -3.456 -13.223 1.265 380 HB2 TRP 48 HB2 TRP 48 -4.528 -14.461 3.279 381 HB3 TRP 48 HB1 TRP 48 -5.975 -13.521 2.917 382 HD1 TRP 48 HD1 TRP 48 -7.524 -14.433 1.001 383 HE1 TRP 48 HE1 TRP 48 -7.372 -16.425 -0.639 384 HE3 TRP 48 HE3 TRP 48 -2.705 -15.886 1.906 385 HZ2 TRP 48 HZ2 TRP 48 -5.480 -18.342 -1.426 386 HZ3 TRP 48 HZ3 TRP 48 -1.799 -17.806 0.668 387 HH2 TRP 48 HH2 TRP 48 -3.160 -19.008 -0.967 388 H ASN 49 HN ASN 49 -5.141 -13.037 -0.385 389 HA ASN 49 HA ASN 49 -5.787 -10.373 -1.065 390 HB2 ASN 49 HB2 ASN 49 -6.828 -13.006 -2.171 391 HB3 ASN 49 HB1 ASN 49 -7.035 -11.434 -2.934 392 HD21 ASN 49 HD21 ASN 49 -5.295 -10.492 -3.976 393 HD22 ASN 49 HD22 ASN 49 -3.844 -11.357 -4.344 394 H VAL 50 HN VAL 50 -7.507 -9.181 -0.456 395 HA VAL 50 HA VAL 50 -9.504 -10.432 1.173 396 HB VAL 50 HB VAL 50 -10.461 -8.083 1.485 397 HG11 VAL 50 HG11 VAL 50 -7.563 -8.571 2.153 398 HG12 VAL 50 HG12 VAL 50 -8.958 -9.077 3.104 399 HG13 VAL 50 HG13 VAL 50 -8.587 -7.363 2.923 400 HG21 VAL 50 HG21 VAL 50 -9.009 -6.201 0.863 401 HG22 VAL 50 HG22 VAL 50 -9.607 -7.032 -0.563 402 HG23 VAL 50 HG23 VAL 50 -7.949 -7.297 -0.020 403 H ARG 51 HN ARG 51 -10.014 -8.260 -1.623 404 HA ARG 51 HA ARG 51 -12.287 -9.976 -2.388 405 HB2 ARG 51 HB2 ARG 51 -11.587 -7.152 -3.300 406 HB3 ARG 51 HB1 ARG 51 -12.986 -8.067 -3.839 407 HG2 ARG 51 HG2 ARG 51 -12.507 -7.220 -0.983 408 HG3 ARG 51 HG1 ARG 51 -13.504 -6.334 -2.135 409 HD2 ARG 51 HD2 ARG 51 -13.980 -9.194 -1.285 410 HD3 ARG 51 HD1 ARG 51 -14.803 -7.795 -0.597 411 HE ARG 51 HE ARG 51 -15.156 -7.638 -3.322 412 HH11 ARG 51 HH11 ARG 51 -16.073 -9.949 -0.796 413 HH12 ARG 51 HH12 ARG 51 -17.496 -10.441 -1.569 414 HH21 ARG 51 HH21 ARG 51 -17.092 -8.317 -4.378 415 HH22 ARG 51 HH22 ARG 51 -18.099 -9.500 -3.671 416 H TYR 52 HN TYR 52 -9.821 -8.008 -3.758 417 HA TYR 52 HA TYR 52 -8.651 -10.314 -5.080 418 HB2 TYR 52 HB2 TYR 52 -9.060 -7.553 -6.320 419 HB3 TYR 52 HB1 TYR 52 -7.932 -8.730 -6.953 420 HD1 TYR 52 HD1 TYR 52 -9.110 -11.119 -7.421 421 HD2 TYR 52 HD2 TYR 52 -11.061 -7.349 -7.408 422 HE1 TYR 52 HE1 TYR 52 -10.850 -12.021 -8.904 423 HE2 TYR 52 HE2 TYR 52 -12.812 -8.248 -8.869 424 HH TYR 52 HH TYR 52 -12.912 -10.167 -10.623 425 H ASP 53 HN ASP 53 -8.464 -6.923 -4.473 426 HA ASP 53 HA ASP 53 -6.380 -6.930 -2.604 427 HB2 ASP 53 HB2 ASP 53 -5.761 -5.831 -5.401 428 HB3 ASP 53 HB1 ASP 53 -4.803 -5.473 -3.976 429 H GLU 54 HN GLU 54 -5.846 -4.158 -2.713 430 HA GLU 54 HA GLU 54 -8.580 -3.091 -2.956 431 HB2 GLU 54 HB2 GLU 54 -8.072 -3.702 -0.584 432 HB3 GLU 54 HB1 GLU 54 -6.724 -2.582 -0.614 433 HG2 GLU 54 HG2 GLU 54 -8.750 -1.695 0.504 434 HG3 GLU 54 HG1 GLU 54 -8.207 -0.714 -0.861 435 H TRP 55 HN TRP 55 -8.779 -0.852 -3.102 436 HA TRP 55 HA TRP 55 -6.599 0.305 -4.686 437 HB2 TRP 55 HB2 TRP 55 -9.579 0.630 -4.838 438 HB3 TRP 55 HB1 TRP 55 -8.439 1.626 -5.732 439 HD1 TRP 55 HD1 TRP 55 -9.784 -1.966 -5.571 440 HE1 TRP 55 HE1 TRP 55 -9.247 -3.104 -7.824 441 HE3 TRP 55 HE3 TRP 55 -6.816 1.636 -7.569 442 HZ2 TRP 55 HZ2 TRP 55 -7.701 -2.533 -10.140 443 HZ3 TRP 55 HZ3 TRP 55 -5.824 1.284 -9.761 444 HH2 TRP 55 HH2 TRP 55 -6.242 -0.748 -11.030 445 H VAL 56 HN VAL 56 -5.616 1.925 -3.777 446 HA VAL 56 HA VAL 56 -7.142 3.874 -2.239 447 HB VAL 56 HB VAL 56 -5.204 4.127 -0.648 448 HG11 VAL 56 HG11 VAL 56 -5.742 2.183 0.735 449 HG12 VAL 56 HG12 VAL 56 -6.494 1.401 -0.653 450 HG13 VAL 56 HG13 VAL 56 -7.195 2.875 0.011 451 HG21 VAL 56 HG21 VAL 56 -3.474 3.086 -2.024 452 HG22 VAL 56 HG22 VAL 56 -4.288 1.529 -1.883 453 HG23 VAL 56 HG23 VAL 56 -3.587 2.289 -0.457 454 H LYS 57 HN LYS 57 -6.040 5.968 -2.151 455 HA LYS 57 HA LYS 57 -4.780 6.485 -4.712 456 HB2 LYS 57 HB2 LYS 57 -6.811 7.711 -4.008 457 HB3 LYS 57 HB1 LYS 57 -5.960 8.326 -2.614 458 HG2 LYS 57 HG2 LYS 57 -4.671 9.778 -3.923 459 HG3 LYS 57 HG1 LYS 57 -5.117 8.957 -5.431 460 HD2 LYS 57 HD2 LYS 57 -7.383 9.690 -5.279 461 HD3 LYS 57 HD1 LYS 57 -7.164 10.266 -3.630 462 HE2 LYS 57 HE2 LYS 57 -5.687 11.445 -5.969 463 HE3 LYS 57 HE1 LYS 57 -7.289 11.995 -5.495 464 HZ1 LYS 57 HZ1 LYS 57 -6.497 12.707 -3.441 465 HZ2 LYS 57 HZ2 LYS 57 -5.306 13.249 -4.519 466 HZ3 LYS 57 HZ3 LYS 57 -5.062 11.876 -3.571 467 H ALA 58 HN ALA 58 -2.988 8.233 -4.663 468 HA ALA 58 HA ALA 58 -0.742 7.079 -3.456 469 HB1 ALA 58 HB1 ALA 58 0.515 8.952 -4.320 470 HB2 ALA 58 HB2 ALA 58 -0.973 9.874 -4.538 471 HB3 ALA 58 HB3 ALA 58 -0.683 8.430 -5.505 472 H ASP 59 HN ASP 59 -2.761 9.606 -2.313 473 HA ASP 59 HA ASP 59 -0.907 10.428 -0.229 474 HB2 ASP 59 HB2 ASP 59 -2.766 11.971 0.471 475 HB3 ASP 59 HB1 ASP 59 -2.172 12.212 -1.165 476 H ARG 60 HN ARG 60 -2.805 7.855 -0.536 477 HA ARG 60 HA ARG 60 -3.819 7.816 2.235 478 HB2 ARG 60 HB2 ARG 60 -5.062 7.251 -0.055 479 HB3 ARG 60 HB1 ARG 60 -4.273 5.708 0.186 480 HG2 ARG 60 HG2 ARG 60 -6.489 5.585 1.020 481 HG3 ARG 60 HG1 ARG 60 -5.379 5.560 2.397 482 HD2 ARG 60 HD2 ARG 60 -5.792 7.889 2.835 483 HD3 ARG 60 HD1 ARG 60 -6.763 8.024 1.370 484 HE ARG 60 HE ARG 60 -7.490 6.335 3.645 485 HH11 ARG 60 HH11 ARG 60 -8.373 8.720 1.137 486 HH12 ARG 60 HH12 ARG 60 -9.994 8.834 1.590 487 HH21 ARG 60 HH21 ARG 60 -9.762 6.518 4.288 488 HH22 ARG 60 HH22 ARG 60 -10.816 7.530 3.414 489 H ILE 61 HN ILE 61 -1.050 7.209 0.784 490 HA ILE 61 HA ILE 61 -0.507 4.521 1.887 491 HB ILE 61 HB ILE 61 1.437 5.997 0.170 492 HG12 ILE 61 HG12 ILE 61 -0.803 6.143 -1.033 493 HG13 ILE 61 HG11 ILE 61 0.507 5.375 -1.908 494 HG21 ILE 61 HG21 ILE 61 2.014 3.771 -0.595 495 HG22 ILE 61 HG22 ILE 61 0.706 3.114 0.396 496 HG23 ILE 61 HG23 ILE 61 2.079 3.926 1.168 497 HD11 ILE 61 HD11 ILE 61 -1.560 4.262 -2.210 498 HD12 ILE 61 HD12 ILE 61 -1.666 3.990 -0.436 499 HD13 ILE 61 HD13 ILE 61 -0.341 3.272 -1.386 500 H ILE 62 HN ILE 62 1.214 4.366 3.392 501 HA ILE 62 HA ILE 62 2.808 6.787 3.853 502 HB ILE 62 HB ILE 62 2.668 4.315 5.618 503 HG12 ILE 62 HG12 ILE 62 1.846 6.111 7.354 504 HG13 ILE 62 HG11 ILE 62 1.330 6.974 5.911 505 HG21 ILE 62 HG21 ILE 62 4.842 5.333 5.671 506 HG22 ILE 62 HG22 ILE 62 4.021 5.548 7.213 507 HG23 ILE 62 HG23 ILE 62 4.128 6.897 6.075 508 HD11 ILE 62 HD11 ILE 62 -0.046 4.984 5.290 509 HD12 ILE 62 HD12 ILE 62 -0.484 5.768 6.816 510 HD13 ILE 62 HD13 ILE 62 0.393 4.258 6.854 511 H TRP 63 HN TRP 63 4.461 6.695 2.583 512 HA TRP 63 HA TRP 63 5.492 4.190 1.694 513 HB2 TRP 63 HB2 TRP 63 6.246 7.036 1.025 514 HB3 TRP 63 HB1 TRP 63 7.092 5.637 0.362 515 HD1 TRP 63 HD1 TRP 63 3.754 7.498 0.118 516 HE1 TRP 63 HE1 TRP 63 2.446 6.564 -1.911 517 HE3 TRP 63 HE3 TRP 63 6.785 3.574 -1.080 518 HZ2 TRP 63 HZ2 TRP 63 2.692 4.477 -3.753 519 HZ3 TRP 63 HZ3 TRP 63 6.178 2.150 -2.991 520 HH2 TRP 63 HH2 TRP 63 4.171 2.597 -4.297 521 HA PRO 64 HA PRO 64 8.369 3.367 4.898 522 HB2 PRO 64 HB2 PRO 64 10.093 2.437 2.658 523 HB3 PRO 64 HB1 PRO 64 9.639 1.604 4.148 524 HG2 PRO 64 HG2 PRO 64 8.489 0.943 1.857 525 HG3 PRO 64 HG1 PRO 64 7.547 1.012 3.354 526 HD2 PRO 64 HD2 PRO 64 7.593 2.928 1.067 527 HD3 PRO 64 HD1 PRO 64 6.264 2.450 2.152 528 H LEU 65 HN LEU 65 9.409 4.653 5.899 529 HA LEU 65 HA LEU 65 11.843 5.844 5.154 530 HB2 LEU 65 HB2 LEU 65 9.913 7.206 3.983 531 HB3 LEU 65 HB1 LEU 65 9.591 7.768 5.605 532 HG LEU 65 HG LEU 65 12.208 8.189 4.160 533 HD11 LEU 65 HD11 LEU 65 10.379 9.255 3.031 534 HD12 LEU 65 HD12 LEU 65 11.407 10.454 3.825 535 HD13 LEU 65 HD13 LEU 65 9.853 9.991 4.542 536 HD21 LEU 65 HD21 LEU 65 12.629 9.863 5.881 537 HD22 LEU 65 HD22 LEU 65 12.337 8.277 6.620 538 HD23 LEU 65 HD23 LEU 65 11.069 9.499 6.628 539 H ASP 66 HN ASP 66 11.803 4.383 7.041 540 HA ASP 66 HA ASP 66 11.838 3.861 9.209 541 HB2 ASP 66 HB2 ASP 66 13.438 5.726 9.297 542 HB3 ASP 66 HB1 ASP 66 12.098 6.847 9.531 543 H LYS 67 HN LYS 67 9.419 3.859 8.171 544 HA LYS 67 HA LYS 67 7.854 4.469 10.519 545 HB2 LYS 67 HB2 LYS 67 6.965 5.129 7.749 546 HB3 LYS 67 HB1 LYS 67 5.850 4.859 9.069 547 HG2 LYS 67 HG2 LYS 67 7.316 6.601 10.246 548 HG3 LYS 67 HG1 LYS 67 7.703 7.099 8.576 549 HD2 LYS 67 HD2 LYS 67 5.153 6.956 8.201 550 HD3 LYS 67 HD1 LYS 67 5.033 6.963 9.956 551 HE2 LYS 67 HE2 LYS 67 6.055 9.149 8.144 552 HE3 LYS 67 HE1 LYS 67 4.627 9.109 9.177 553 HZ1 LYS 67 HZ1 LYS 67 6.045 9.238 11.146 554 HZ2 LYS 67 HZ2 LYS 67 6.431 10.454 10.086 555 HZ3 LYS 67 HZ3 LYS 67 7.429 9.124 10.175 556 H GLY 68 HN GLY 68 7.774 2.483 11.210 557 HA2 GLY 68 HA2 GLY 68 6.455 0.565 9.565 558 HA3 GLY 68 HA1 GLY 68 6.691 0.458 11.346 559 H LEU 69 HN LEU 69 5.847 3.145 11.687 560 HA LEU 69 HA LEU 69 3.729 4.140 10.727 561 HB2 LEU 69 HB2 LEU 69 2.420 2.170 11.587 562 HB3 LEU 69 HB1 LEU 69 2.992 2.560 13.201 563 HG LEU 69 HG LEU 69 1.818 4.642 13.214 564 HD11 LEU 69 HD11 LEU 69 0.498 5.404 11.259 565 HD12 LEU 69 HD12 LEU 69 1.129 4.007 10.347 566 HD13 LEU 69 HD13 LEU 69 2.228 5.241 10.927 567 HD21 LEU 69 HD21 LEU 69 -0.493 3.858 13.015 568 HD22 LEU 69 HD22 LEU 69 0.540 2.645 13.786 569 HD23 LEU 69 HD23 LEU 69 0.070 2.458 12.095 570 H GLU 70 HN GLU 70 3.526 6.101 11.834 571 HA GLU 70 HA GLU 70 5.717 6.789 13.502 572 HB2 GLU 70 HB2 GLU 70 4.627 8.334 11.889 573 HB3 GLU 70 HB1 GLU 70 3.171 8.290 12.865 574 HG2 GLU 70 HG2 GLU 70 4.332 9.371 14.692 575 HG3 GLU 70 HG1 GLU 70 5.839 9.338 13.778 576 H HIS 71 HN HIS 71 5.620 7.283 15.746 577 HA HIS 71 HA HIS 71 3.519 5.885 17.138 578 HB2 HIS 71 HB2 HIS 71 5.930 7.366 18.256 579 HB3 HIS 71 HB1 HIS 71 4.814 6.397 19.204 580 HD1 HIS 71 HD1 HIS 71 7.811 6.140 17.052 581 HD2 HIS 71 HD2 HIS 71 5.000 3.566 18.704 582 HE1 HIS 71 HE1 HIS 71 8.770 3.870 16.813 583 HE2 HIS 71 HE2 HIS 71 7.018 2.314 17.675 584 H HIS 72 HN HIS 72 2.111 7.410 16.091 585 HA HIS 72 HA HIS 72 1.995 10.113 17.151 586 HB2 HIS 72 HB2 HIS 72 1.700 9.424 14.688 587 HB3 HIS 72 HB1 HIS 72 0.122 8.834 15.171 588 HD1 HIS 72 HD1 HIS 72 1.921 11.793 14.121 589 HD2 HIS 72 HD2 HIS 72 -1.661 10.996 16.069 590 HE1 HIS 72 HE1 HIS 72 0.552 13.908 13.924 591 HE2 HIS 72 HE2 HIS 72 -1.509 13.468 15.272 592 H HIS 73 HN HIS 73 0.484 7.012 17.549 593 HA HIS 73 HA HIS 73 -1.559 8.291 19.209 594 HB2 HIS 73 HB2 HIS 73 -1.720 5.621 17.784 595 HB3 HIS 73 HB1 HIS 73 -2.865 6.153 19.001 596 HD1 HIS 73 HD1 HIS 73 -4.767 7.678 18.210 597 HD2 HIS 73 HD2 HIS 73 -1.822 7.053 15.344 598 HE1 HIS 73 HE1 HIS 73 -5.679 8.639 16.094 599 HE2 HIS 73 HE2 HIS 73 -3.802 8.423 14.424 600 H HIS 74 HN HIS 74 -1.852 7.587 21.219 601 HA HIS 74 HA HIS 74 -0.342 5.271 22.162 602 HB2 HIS 74 HB2 HIS 74 0.905 7.425 22.746 603 HB3 HIS 74 HB1 HIS 74 -0.504 7.903 23.689 604 HD1 HIS 74 HD1 HIS 74 -0.251 7.378 26.123 605 HD2 HIS 74 HD2 HIS 74 1.874 4.720 23.731 606 HE1 HIS 74 HE1 HIS 74 0.896 5.826 27.702 607 HE2 HIS 74 HE2 HIS 74 2.369 4.410 26.241 608 H HIS 75 HN HIS 75 -2.947 5.780 21.281 609 HA HIS 75 HA HIS 75 -4.479 4.964 23.559 610 HB2 HIS 75 HB2 HIS 75 -4.849 7.364 23.644 611 HB3 HIS 75 HB1 HIS 75 -5.149 7.418 21.913 612 HD1 HIS 75 HD1 HIS 75 -7.541 7.256 21.197 613 HD2 HIS 75 HD2 HIS 75 -6.984 5.918 25.096 614 HE1 HIS 75 HE1 HIS 75 -9.825 6.820 22.084 615 HE2 HIS 75 HE2 HIS 75 -9.448 5.752 24.314 616 H HIS 76 HN HIS 76 -5.535 3.289 22.898 617 HA HIS 76 HA HIS 76 -6.037 2.859 20.082 618 HB2 HIS 76 HB2 HIS 76 -5.021 1.001 21.308 619 HB3 HIS 76 HB1 HIS 76 -6.307 1.058 22.508 620 HD1 HIS 76 HD1 HIS 76 -8.317 -0.375 22.061 621 HD2 HIS 76 HD2 HIS 76 -5.955 0.150 18.687 622 HE1 HIS 76 HE1 HIS 76 -9.271 -1.894 20.329 623 HE2 HIS 76 HE2 HIS 76 -7.663 -1.747 18.410 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 19.592 -5.197 -15.162 2 H2 GLU 1 HT2 GLU 1 18.512 -4.726 -16.359 3 H3 GLU 1 HT3 GLU 1 18.215 -6.118 -15.468 4 HA GLU 1 HA GLU 1 17.936 -4.832 -13.485 5 HB2 GLU 1 HB2 GLU 1 18.344 -2.484 -15.340 6 HB3 GLU 1 HB1 GLU 1 17.780 -2.371 -13.679 7 HG2 GLU 1 HG2 GLU 1 20.451 -3.425 -14.576 8 HG3 GLU 1 HG1 GLU 1 20.134 -1.867 -13.810 9 H ASP 2 HN ASP 2 15.974 -5.772 -13.471 10 HA ASP 2 HA ASP 2 13.814 -4.243 -14.588 11 HB2 ASP 2 HB2 ASP 2 12.775 -6.043 -15.820 12 HB3 ASP 2 HB1 ASP 2 14.421 -5.897 -16.408 13 H MET 3 HN MET 3 11.770 -4.940 -13.704 14 HA MET 3 HA MET 3 11.430 -6.883 -11.728 15 HB2 MET 3 HB2 MET 3 12.819 -5.659 -10.203 16 HB3 MET 3 HB1 MET 3 12.088 -4.132 -10.663 17 HG2 MET 3 HG2 MET 3 11.251 -4.734 -8.461 18 HG3 MET 3 HG1 MET 3 9.951 -4.861 -9.637 19 HE1 MET 3 HE1 MET 3 9.043 -7.667 -7.087 20 HE2 MET 3 HE2 MET 3 8.488 -6.224 -7.937 21 HE3 MET 3 HE3 MET 3 9.768 -6.098 -6.737 22 H GLU 4 HN GLU 4 9.565 -7.072 -13.028 23 HA GLU 4 HA GLU 4 7.318 -6.849 -13.416 24 HB2 GLU 4 HB2 GLU 4 7.650 -5.952 -10.536 25 HB3 GLU 4 HB1 GLU 4 6.110 -6.402 -11.250 26 HG2 GLU 4 HG2 GLU 4 8.491 -8.211 -11.008 27 HG3 GLU 4 HG1 GLU 4 7.078 -8.217 -9.949 28 HA PRO 5 HA PRO 5 5.870 -2.374 -13.879 29 HB2 PRO 5 HB2 PRO 5 4.429 -2.575 -11.343 30 HB3 PRO 5 HB1 PRO 5 3.841 -1.799 -12.845 31 HG2 PRO 5 HG2 PRO 5 2.835 -4.135 -12.234 32 HG3 PRO 5 HG1 PRO 5 3.536 -3.982 -13.858 33 HD2 PRO 5 HD2 PRO 5 4.710 -5.160 -11.396 34 HD3 PRO 5 HD1 PRO 5 4.701 -5.840 -13.047 35 H CYS 6 HN CYS 6 6.124 -0.247 -12.771 36 HA CYS 6 HA CYS 6 8.443 -0.099 -11.177 37 HB2 CYS 6 HB2 CYS 6 7.848 2.325 -11.067 38 HB3 CYS 6 HB1 CYS 6 7.853 1.670 -12.704 39 HG CYS 6 HG CYS 6 4.960 1.717 -10.990 40 H LEU 7 HN LEU 7 8.720 0.506 -9.019 41 HA LEU 7 HA LEU 7 8.506 0.179 -6.913 42 HB2 LEU 7 HB2 LEU 7 6.914 1.653 -5.618 43 HB3 LEU 7 HB1 LEU 7 8.000 2.442 -6.715 44 HG LEU 7 HG LEU 7 5.819 3.525 -6.535 45 HD11 LEU 7 HD11 LEU 7 6.327 2.458 -9.272 46 HD12 LEU 7 HD12 LEU 7 7.017 3.905 -8.539 47 HD13 LEU 7 HD13 LEU 7 5.287 3.825 -8.874 48 HD21 LEU 7 HD21 LEU 7 3.807 2.520 -7.563 49 HD22 LEU 7 HD22 LEU 7 4.365 1.689 -6.115 50 HD23 LEU 7 HD23 LEU 7 4.687 0.994 -7.707 51 H THR 8 HN THR 8 6.968 -1.856 -8.353 52 HA THR 8 HA THR 8 5.018 -2.630 -6.412 53 HB THR 8 HB THR 8 4.851 -4.718 -7.762 54 HG1 THR 8 HG1 THR 8 6.542 -3.517 -9.720 55 HG21 THR 8 HG21 THR 8 3.458 -2.769 -8.233 56 HG22 THR 8 HG22 THR 8 3.862 -3.639 -9.707 57 HG23 THR 8 HG23 THR 8 4.706 -2.134 -9.307 58 H GLY 9 HN GLY 9 5.098 -4.579 -5.198 59 HA2 GLY 9 HA2 GLY 9 6.218 -6.372 -4.146 60 HA3 GLY 9 HA1 GLY 9 7.748 -5.740 -4.746 61 H THR 10 HN THR 10 7.093 -3.017 -3.883 62 HA THR 10 HA THR 10 8.283 -3.045 -1.361 63 HB THR 10 HB THR 10 6.704 -0.867 -2.710 64 HG1 THR 10 HG1 THR 10 9.422 -1.689 -2.830 65 HG21 THR 10 HG21 THR 10 7.156 -0.376 -0.350 66 HG22 THR 10 HG22 THR 10 8.123 0.676 -1.379 67 HG23 THR 10 HG23 THR 10 8.867 -0.713 -0.587 68 H LYS 11 HN LYS 11 7.456 -3.151 0.557 69 HA LYS 11 HA LYS 11 4.562 -3.376 0.891 70 HB2 LYS 11 HB2 LYS 11 6.762 -4.164 2.825 71 HB3 LYS 11 HB1 LYS 11 5.037 -4.546 2.923 72 HG2 LYS 11 HG2 LYS 11 5.102 -6.004 1.111 73 HG3 LYS 11 HG1 LYS 11 6.666 -5.414 0.573 74 HD2 LYS 11 HD2 LYS 11 7.680 -6.407 2.609 75 HD3 LYS 11 HD1 LYS 11 6.094 -7.054 3.038 76 HE2 LYS 11 HE2 LYS 11 7.521 -8.710 1.888 77 HE3 LYS 11 HE1 LYS 11 6.027 -8.365 1.016 78 HZ1 LYS 11 HZ1 LYS 11 8.685 -7.170 0.373 79 HZ2 LYS 11 HZ2 LYS 11 7.264 -6.963 -0.518 80 HZ3 LYS 11 HZ3 LYS 11 7.988 -8.475 -0.415 81 H VAL 12 HN VAL 12 3.575 -1.746 1.575 82 HA VAL 12 HA VAL 12 4.976 0.363 3.050 83 HB VAL 12 HB VAL 12 3.474 1.975 1.925 84 HG11 VAL 12 HG11 VAL 12 5.072 0.264 0.029 85 HG12 VAL 12 HG12 VAL 12 5.717 1.567 1.024 86 HG13 VAL 12 HG13 VAL 12 4.564 1.924 -0.269 87 HG21 VAL 12 HG21 VAL 12 2.170 1.296 -0.012 88 HG22 VAL 12 HG22 VAL 12 1.639 0.414 1.422 89 HG23 VAL 12 HG23 VAL 12 2.662 -0.381 0.221 90 H LYS 13 HN LYS 13 3.098 1.915 3.807 91 HA LYS 13 HA LYS 13 1.310 0.303 5.467 92 HB2 LYS 13 HB2 LYS 13 3.089 2.527 5.849 93 HB3 LYS 13 HB1 LYS 13 1.451 2.986 6.271 94 HG2 LYS 13 HG2 LYS 13 2.832 0.570 7.339 95 HG3 LYS 13 HG1 LYS 13 2.855 2.163 8.160 96 HD2 LYS 13 HD2 LYS 13 0.301 1.926 7.873 97 HD3 LYS 13 HD1 LYS 13 0.644 0.204 7.723 98 HE2 LYS 13 HE2 LYS 13 1.350 2.042 9.970 99 HE3 LYS 13 HE1 LYS 13 0.133 0.776 10.012 100 HZ1 LYS 13 HZ1 LYS 13 3.080 0.286 9.727 101 HZ2 LYS 13 HZ2 LYS 13 1.914 -0.914 9.852 102 HZ3 LYS 13 HZ3 LYS 13 2.195 0.116 11.139 103 H VAL 14 HN VAL 14 -0.886 0.757 5.242 104 HA VAL 14 HA VAL 14 -1.612 2.834 3.308 105 HB VAL 14 HB VAL 14 -2.727 0.011 3.446 106 HG11 VAL 14 HG11 VAL 14 -4.059 0.661 1.460 107 HG12 VAL 14 HG12 VAL 14 -3.534 2.330 1.706 108 HG13 VAL 14 HG13 VAL 14 -4.518 1.527 2.924 109 HG21 VAL 14 HG21 VAL 14 -1.171 1.385 1.255 110 HG22 VAL 14 HG22 VAL 14 -1.818 -0.255 1.203 111 HG23 VAL 14 HG23 VAL 14 -0.546 0.157 2.351 112 H LYS 15 HN LYS 15 -3.343 3.992 3.824 113 HA LYS 15 HA LYS 15 -4.694 3.423 6.368 114 HB2 LYS 15 HB2 LYS 15 -3.480 5.548 6.280 115 HB3 LYS 15 HB1 LYS 15 -4.336 5.996 4.813 116 HG2 LYS 15 HG2 LYS 15 -6.459 5.958 6.093 117 HG3 LYS 15 HG1 LYS 15 -5.524 5.644 7.557 118 HD2 LYS 15 HD2 LYS 15 -5.232 8.068 5.779 119 HD3 LYS 15 HD1 LYS 15 -6.111 8.017 7.305 120 HE2 LYS 15 HE2 LYS 15 -4.027 7.422 8.463 121 HE3 LYS 15 HE1 LYS 15 -3.160 7.517 6.931 122 HZ1 LYS 15 HZ1 LYS 15 -3.749 9.840 6.776 123 HZ2 LYS 15 HZ2 LYS 15 -2.915 9.528 8.208 124 HZ3 LYS 15 HZ3 LYS 15 -4.585 9.761 8.244 125 H TYR 16 HN TYR 16 -6.752 2.739 6.153 126 HA TYR 16 HA TYR 16 -8.202 3.574 3.760 127 HB2 TYR 16 HB2 TYR 16 -7.239 1.238 3.566 128 HB3 TYR 16 HB1 TYR 16 -8.295 0.780 4.893 129 HD1 TYR 16 HD1 TYR 16 -8.194 1.943 1.402 130 HD2 TYR 16 HD2 TYR 16 -10.619 0.333 4.502 131 HE1 TYR 16 HE1 TYR 16 -9.947 1.440 -0.253 132 HE2 TYR 16 HE2 TYR 16 -12.377 -0.173 2.863 133 HH TYR 16 HH TYR 16 -11.836 -0.219 -0.428 134 H GLY 17 HN GLY 17 -9.915 4.726 4.477 135 HA2 GLY 17 HA2 GLY 17 -11.787 3.577 6.200 136 HA3 GLY 17 HA1 GLY 17 -10.754 4.701 7.072 137 H ARG 18 HN ARG 18 -13.310 5.124 7.007 138 HA ARG 18 HA ARG 18 -13.492 7.625 5.567 139 HB2 ARG 18 HB2 ARG 18 -15.897 7.137 5.029 140 HB3 ARG 18 HB1 ARG 18 -14.765 6.130 4.153 141 HG2 ARG 18 HG2 ARG 18 -15.238 4.244 5.612 142 HG3 ARG 18 HG1 ARG 18 -16.271 5.245 6.621 143 HD2 ARG 18 HD2 ARG 18 -16.743 4.628 3.711 144 HD3 ARG 18 HD1 ARG 18 -17.571 3.857 5.065 145 HE ARG 18 HE ARG 18 -17.893 6.594 5.335 146 HH11 ARG 18 HH11 ARG 18 -18.903 4.087 3.054 147 HH12 ARG 18 HH12 ARG 18 -20.325 4.891 2.597 148 HH21 ARG 18 HH21 ARG 18 -19.858 7.694 4.707 149 HH22 ARG 18 HH22 ARG 18 -20.882 6.970 3.554 150 H GLY 19 HN GLY 19 -13.663 9.080 7.154 151 HA2 GLY 19 HA2 GLY 19 -14.374 10.110 9.092 152 HA3 GLY 19 HA1 GLY 19 -15.624 8.871 9.217 153 H LYS 20 HN LYS 20 -15.435 8.169 11.257 154 HA LYS 20 HA LYS 20 -12.865 7.719 12.455 155 HB2 LYS 20 HB2 LYS 20 -14.856 8.467 13.764 156 HB3 LYS 20 HB1 LYS 20 -15.613 6.913 13.449 157 HG2 LYS 20 HG2 LYS 20 -13.828 5.783 14.664 158 HG3 LYS 20 HG1 LYS 20 -13.042 7.336 14.939 159 HD2 LYS 20 HD2 LYS 20 -15.022 8.083 16.192 160 HD3 LYS 20 HD1 LYS 20 -15.744 6.488 15.962 161 HE2 LYS 20 HE2 LYS 20 -14.679 6.699 18.157 162 HE3 LYS 20 HE1 LYS 20 -13.908 5.462 17.169 163 HZ1 LYS 20 HZ1 LYS 20 -12.299 6.844 18.321 164 HZ2 LYS 20 HZ2 LYS 20 -12.878 8.225 17.566 165 HZ3 LYS 20 HZ3 LYS 20 -12.119 7.018 16.657 166 H THR 21 HN THR 21 -15.096 5.975 10.589 167 HA THR 21 HA THR 21 -14.250 3.336 11.300 168 HB THR 21 HB THR 21 -15.813 4.343 8.894 169 HG1 THR 21 HG1 THR 21 -16.506 3.501 11.484 170 HG21 THR 21 HG21 THR 21 -16.705 2.051 8.769 171 HG22 THR 21 HG22 THR 21 -15.668 1.562 10.114 172 HG23 THR 21 HG23 THR 21 -14.957 2.055 8.568 173 H GLN 22 HN GLN 22 -12.016 3.811 11.133 174 HA GLN 22 HA GLN 22 -10.844 3.456 8.490 175 HB2 GLN 22 HB2 GLN 22 -10.884 5.872 8.832 176 HB3 GLN 22 HB1 GLN 22 -10.206 5.677 10.433 177 HG2 GLN 22 HG2 GLN 22 -8.161 4.704 9.346 178 HG3 GLN 22 HG1 GLN 22 -8.833 5.214 7.799 179 HE21 GLN 22 HE21 GLN 22 -8.870 7.407 7.292 180 HE22 GLN 22 HE22 GLN 22 -8.036 8.563 8.258 181 H LYS 23 HN LYS 23 -8.977 2.305 8.570 182 HA LYS 23 HA LYS 23 -7.655 1.938 11.103 183 HB2 LYS 23 HB2 LYS 23 -7.389 -0.479 10.743 184 HB3 LYS 23 HB1 LYS 23 -9.087 -0.069 10.901 185 HG2 LYS 23 HG2 LYS 23 -7.801 -0.324 8.211 186 HG3 LYS 23 HG1 LYS 23 -8.322 -1.750 9.094 187 HD2 LYS 23 HD2 LYS 23 -10.170 0.563 8.536 188 HD3 LYS 23 HD1 LYS 23 -9.956 -0.773 7.397 189 HE2 LYS 23 HE2 LYS 23 -10.624 -2.345 9.040 190 HE3 LYS 23 HE1 LYS 23 -10.759 -1.098 10.277 191 HZ1 LYS 23 HZ1 LYS 23 -12.525 -0.073 8.961 192 HZ2 LYS 23 HZ2 LYS 23 -12.947 -1.642 9.377 193 HZ3 LYS 23 HZ3 LYS 23 -12.453 -1.299 7.824 194 H ILE 24 HN ILE 24 -5.458 1.055 10.711 195 HA ILE 24 HA ILE 24 -4.574 1.823 8.046 196 HB ILE 24 HB ILE 24 -2.958 2.097 10.627 197 HG12 ILE 24 HG12 ILE 24 -3.001 4.609 9.967 198 HG13 ILE 24 HG11 ILE 24 -4.346 4.179 8.925 199 HG21 ILE 24 HG21 ILE 24 -1.602 1.559 8.695 200 HG22 ILE 24 HG22 ILE 24 -1.286 3.199 9.252 201 HG23 ILE 24 HG23 ILE 24 -2.276 2.928 7.815 202 HD11 ILE 24 HD11 ILE 24 -5.116 5.142 11.035 203 HD12 ILE 24 HD12 ILE 24 -4.277 3.876 11.927 204 HD13 ILE 24 HD13 ILE 24 -5.631 3.463 10.883 205 H TYR 25 HN TYR 25 -3.708 0.306 6.903 206 HA TYR 25 HA TYR 25 -3.067 -2.322 8.092 207 HB2 TYR 25 HB2 TYR 25 -3.871 -1.574 5.288 208 HB3 TYR 25 HB1 TYR 25 -3.446 -3.178 5.819 209 HD1 TYR 25 HD1 TYR 25 -5.039 -4.281 7.547 210 HD2 TYR 25 HD2 TYR 25 -6.080 -0.842 5.273 211 HE1 TYR 25 HE1 TYR 25 -7.399 -4.832 7.795 212 HE2 TYR 25 HE2 TYR 25 -8.441 -1.385 5.534 213 HH TYR 25 HH TYR 25 -9.533 -3.780 7.703 214 H GLU 26 HN GLU 26 -1.333 -3.494 6.866 215 HA GLU 26 HA GLU 26 0.565 -1.685 5.553 216 HB2 GLU 26 HB2 GLU 26 1.183 -4.376 6.826 217 HB3 GLU 26 HB1 GLU 26 2.332 -3.187 6.228 218 HG2 GLU 26 HG2 GLU 26 1.462 -1.599 7.928 219 HG3 GLU 26 HG1 GLU 26 0.546 -2.928 8.620 220 H ALA 27 HN ALA 27 1.227 -2.385 3.439 221 HA ALA 27 HA ALA 27 -0.015 -4.820 2.384 222 HB1 ALA 27 HB1 ALA 27 -1.745 -3.096 2.246 223 HB2 ALA 27 HB2 ALA 27 -1.210 -3.641 0.656 224 HB3 ALA 27 HB3 ALA 27 -0.651 -2.093 1.295 225 H SER 28 HN SER 28 0.716 -5.315 0.196 226 HA SER 28 HA SER 28 3.220 -3.992 -0.466 227 HB2 SER 28 HB2 SER 28 3.589 -6.079 -1.850 228 HB3 SER 28 HB1 SER 28 3.501 -6.352 -0.112 229 HG SER 28 HG SER 28 2.090 -7.485 -1.977 230 H ILE 29 HN ILE 29 3.529 -3.114 -2.459 231 HA ILE 29 HA ILE 29 1.175 -2.337 -3.927 232 HB ILE 29 HB ILE 29 4.072 -1.910 -4.694 233 HG12 ILE 29 HG12 ILE 29 3.740 -0.976 -2.468 234 HG13 ILE 29 HG11 ILE 29 3.892 0.324 -3.638 235 HG21 ILE 29 HG21 ILE 29 3.214 -0.002 -5.988 236 HG22 ILE 29 HG22 ILE 29 1.576 -0.414 -5.502 237 HG23 ILE 29 HG23 ILE 29 2.501 -1.527 -6.514 238 HD11 ILE 29 HD11 ILE 29 1.369 -0.675 -2.343 239 HD12 ILE 29 HD12 ILE 29 1.418 0.523 -3.635 240 HD13 ILE 29 HD13 ILE 29 2.172 0.877 -2.080 241 H LYS 30 HN LYS 30 0.326 -3.447 -5.587 242 HA LYS 30 HA LYS 30 2.027 -5.483 -6.860 243 HB2 LYS 30 HB2 LYS 30 -0.293 -5.915 -5.577 244 HB3 LYS 30 HB1 LYS 30 -0.937 -5.507 -7.154 245 HG2 LYS 30 HG2 LYS 30 1.062 -7.717 -6.650 246 HG3 LYS 30 HG1 LYS 30 -0.674 -7.955 -6.729 247 HD2 LYS 30 HD2 LYS 30 1.012 -6.858 -8.981 248 HD3 LYS 30 HD1 LYS 30 0.562 -8.553 -8.809 249 HE2 LYS 30 HE2 LYS 30 -1.827 -7.869 -8.900 250 HE3 LYS 30 HE1 LYS 30 -1.306 -6.210 -9.208 251 HZ1 LYS 30 HZ1 LYS 30 -0.644 -8.553 -10.873 252 HZ2 LYS 30 HZ2 LYS 30 -0.244 -6.961 -11.244 253 HZ3 LYS 30 HZ3 LYS 30 -1.855 -7.458 -11.258 254 H SER 31 HN SER 31 -0.161 -2.751 -7.469 255 HA SER 31 HA SER 31 1.028 -2.312 -10.067 256 HB2 SER 31 HB2 SER 31 -1.968 -2.849 -9.882 257 HB3 SER 31 HB1 SER 31 -1.089 -2.351 -11.324 258 HG SER 31 HG SER 31 0.168 -4.436 -10.521 259 H THR 32 HN THR 32 0.069 -0.203 -11.041 260 HA THR 32 HA THR 32 -1.404 1.455 -9.140 261 HB THR 32 HB THR 32 0.815 2.710 -10.680 262 HG1 THR 32 HG1 THR 32 1.014 1.044 -8.396 263 HG21 THR 32 HG21 THR 32 -0.803 4.054 -9.564 264 HG22 THR 32 HG22 THR 32 0.787 4.245 -8.810 265 HG23 THR 32 HG23 THR 32 -0.446 3.265 -8.026 266 H GLU 33 HN GLU 33 -2.726 2.859 -10.209 267 HA GLU 33 HA GLU 33 -2.470 3.183 -13.079 268 HB2 GLU 33 HB2 GLU 33 -4.936 1.978 -11.838 269 HB3 GLU 33 HB1 GLU 33 -4.940 2.823 -13.378 270 HG2 GLU 33 HG2 GLU 33 -3.307 1.245 -14.254 271 HG3 GLU 33 HG1 GLU 33 -3.357 0.348 -12.738 272 H ILE 34 HN ILE 34 -3.665 4.865 -13.914 273 HA ILE 34 HA ILE 34 -4.362 6.830 -11.870 274 HB ILE 34 HB ILE 34 -3.430 7.257 -14.714 275 HG12 ILE 34 HG12 ILE 34 -1.514 8.544 -13.647 276 HG13 ILE 34 HG11 ILE 34 -2.122 7.984 -12.095 277 HG21 ILE 34 HG21 ILE 34 -4.230 9.327 -12.672 278 HG22 ILE 34 HG22 ILE 34 -5.109 8.904 -14.141 279 HG23 ILE 34 HG23 ILE 34 -3.525 9.680 -14.253 280 HD11 ILE 34 HD11 ILE 34 -1.049 6.208 -14.272 281 HD12 ILE 34 HD12 ILE 34 -1.645 5.733 -12.674 282 HD13 ILE 34 HD13 ILE 34 -0.185 6.715 -12.805 283 H ASP 35 HN ASP 35 -6.391 7.335 -11.793 284 HA ASP 35 HA ASP 35 -8.051 6.837 -14.162 285 HB2 ASP 35 HB2 ASP 35 -8.452 5.102 -12.388 286 HB3 ASP 35 HB1 ASP 35 -8.965 6.394 -11.309 287 H ASP 36 HN ASP 36 -8.334 8.768 -14.838 288 HA ASP 36 HA ASP 36 -8.811 10.922 -15.029 289 HB2 ASP 36 HB2 ASP 36 -11.068 10.016 -14.734 290 HB3 ASP 36 HB1 ASP 36 -10.960 10.307 -13.000 291 H GLY 37 HN GLY 37 -6.711 11.187 -13.968 292 HA2 GLY 37 HA2 GLY 37 -5.581 13.006 -13.022 293 HA3 GLY 37 HA1 GLY 37 -7.055 13.456 -12.183 294 H GLU 38 HN GLU 38 -7.193 10.581 -11.094 295 HA GLU 38 HA GLU 38 -5.185 11.107 -9.064 296 HB2 GLU 38 HB2 GLU 38 -6.638 9.852 -7.459 297 HB3 GLU 38 HB1 GLU 38 -7.295 11.367 -8.043 298 HG2 GLU 38 HG2 GLU 38 -8.642 9.989 -9.688 299 HG3 GLU 38 HG1 GLU 38 -8.129 8.576 -8.760 300 H VAL 39 HN VAL 39 -3.906 9.579 -8.216 301 HA VAL 39 HA VAL 39 -3.583 7.230 -9.935 302 HB VAL 39 HB VAL 39 -1.613 8.120 -7.854 303 HG11 VAL 39 HG11 VAL 39 0.043 7.011 -9.356 304 HG12 VAL 39 HG12 VAL 39 -1.281 6.499 -10.389 305 HG13 VAL 39 HG13 VAL 39 -1.188 5.927 -8.750 306 HG21 VAL 39 HG21 VAL 39 -0.375 9.389 -9.603 307 HG22 VAL 39 HG22 VAL 39 -1.916 10.111 -9.155 308 HG23 VAL 39 HG23 VAL 39 -1.774 9.241 -10.666 309 H LEU 40 HN LEU 40 -4.332 5.465 -9.225 310 HA LEU 40 HA LEU 40 -4.647 5.066 -6.355 311 HB2 LEU 40 HB2 LEU 40 -6.066 3.791 -8.693 312 HB3 LEU 40 HB1 LEU 40 -6.333 3.413 -7.002 313 HG LEU 40 HG LEU 40 -6.894 6.101 -8.253 314 HD11 LEU 40 HD11 LEU 40 -8.351 4.387 -9.152 315 HD12 LEU 40 HD12 LEU 40 -9.239 5.472 -8.081 316 HD13 LEU 40 HD13 LEU 40 -8.765 3.862 -7.519 317 HD21 LEU 40 HD21 LEU 40 -7.592 4.966 -5.532 318 HD22 LEU 40 HD22 LEU 40 -8.085 6.542 -6.150 319 HD23 LEU 40 HD23 LEU 40 -6.393 6.213 -5.850 320 H TYR 41 HN TYR 41 -3.741 3.324 -5.514 321 HA TYR 41 HA TYR 41 -1.952 1.776 -7.223 322 HB2 TYR 41 HB2 TYR 41 -1.891 2.371 -4.254 323 HB3 TYR 41 HB1 TYR 41 -0.779 1.278 -5.066 324 HD1 TYR 41 HD1 TYR 41 -1.881 4.911 -5.055 325 HD2 TYR 41 HD2 TYR 41 1.213 2.099 -5.932 326 HE1 TYR 41 HE1 TYR 41 -0.395 6.710 -5.452 327 HE2 TYR 41 HE2 TYR 41 2.758 3.982 -6.345 328 HH TYR 41 HH TYR 41 2.099 7.147 -5.422 329 H LEU 42 HN LEU 42 -1.962 -0.440 -6.951 330 HA LEU 42 HA LEU 42 -4.395 -1.486 -5.695 331 HB2 LEU 42 HB2 LEU 42 -4.146 -1.757 -8.198 332 HB3 LEU 42 HB1 LEU 42 -2.690 -2.673 -7.911 333 HG LEU 42 HG LEU 42 -4.793 -3.981 -8.534 334 HD11 LEU 42 HD11 LEU 42 -4.357 -5.817 -6.964 335 HD12 LEU 42 HD12 LEU 42 -3.315 -4.738 -6.025 336 HD13 LEU 42 HD13 LEU 42 -2.913 -5.140 -7.699 337 HD21 LEU 42 HD21 LEU 42 -6.384 -4.480 -6.789 338 HD22 LEU 42 HD22 LEU 42 -6.334 -2.743 -7.080 339 HD23 LEU 42 HD23 LEU 42 -5.526 -3.426 -5.667 340 H VAL 43 HN VAL 43 -3.913 -2.118 -3.808 341 HA VAL 43 HA VAL 43 -1.319 -3.410 -3.237 342 HB VAL 43 HB VAL 43 -1.208 -2.223 -1.155 343 HG11 VAL 43 HG11 VAL 43 -1.074 0.091 -1.815 344 HG12 VAL 43 HG12 VAL 43 -2.071 -0.247 -3.224 345 HG13 VAL 43 HG13 VAL 43 -0.470 -0.958 -3.105 346 HG21 VAL 43 HG21 VAL 43 -3.964 -1.118 -1.767 347 HG22 VAL 43 HG22 VAL 43 -2.965 -0.622 -0.413 348 HG23 VAL 43 HG23 VAL 43 -3.576 -2.276 -0.493 349 H HIS 44 HN HIS 44 -1.436 -5.009 -1.622 350 HA HIS 44 HA HIS 44 -4.100 -5.600 -0.645 351 HB2 HIS 44 HB2 HIS 44 -3.625 -8.112 -0.712 352 HB3 HIS 44 HB1 HIS 44 -3.979 -7.341 -2.242 353 HD1 HIS 44 HD1 HIS 44 -2.466 -7.816 -4.037 354 HD2 HIS 44 HD2 HIS 44 -0.758 -8.724 -0.373 355 HE1 HIS 44 HE1 HIS 44 -0.259 -8.950 -4.576 356 HE2 HIS 44 HE2 HIS 44 0.562 -9.755 -2.359 357 H TYR 45 HN TYR 45 -4.359 -5.917 1.344 358 HA TYR 45 HA TYR 45 -2.274 -5.090 3.092 359 HB2 TYR 45 HB2 TYR 45 -4.896 -6.347 3.919 360 HB3 TYR 45 HB1 TYR 45 -3.934 -5.173 4.808 361 HD1 TYR 45 HD1 TYR 45 -3.491 -2.963 3.075 362 HD2 TYR 45 HD2 TYR 45 -6.933 -5.459 3.265 363 HE1 TYR 45 HE1 TYR 45 -4.856 -1.161 2.114 364 HE2 TYR 45 HE2 TYR 45 -8.290 -3.668 2.307 365 HH TYR 45 HH TYR 45 -8.248 -1.269 2.118 366 H TYR 46 HN TYR 46 -0.747 -6.257 3.720 367 HA TYR 46 HA TYR 46 -0.221 -8.802 2.906 368 HB2 TYR 46 HB2 TYR 46 1.324 -6.945 3.748 369 HB3 TYR 46 HB1 TYR 46 1.050 -7.614 5.347 370 HD1 TYR 46 HD1 TYR 46 2.529 -8.183 2.062 371 HD2 TYR 46 HD2 TYR 46 2.067 -9.725 5.991 372 HE1 TYR 46 HE1 TYR 46 4.350 -9.771 1.637 373 HE2 TYR 46 HE2 TYR 46 3.892 -11.328 5.579 374 HH TYR 46 HH TYR 46 4.921 -12.402 3.589 375 H GLY 47 HN GLY 47 -0.678 -8.050 6.381 376 HA2 GLY 47 HA2 GLY 47 -1.341 -10.871 6.755 377 HA3 GLY 47 HA1 GLY 47 -0.900 -9.738 8.018 378 H TRP 48 HN TRP 48 -3.319 -8.984 5.632 379 HA TRP 48 HA TRP 48 -5.421 -9.457 7.643 380 HB2 TRP 48 HB2 TRP 48 -5.024 -6.870 6.131 381 HB3 TRP 48 HB1 TRP 48 -6.519 -7.293 6.947 382 HD1 TRP 48 HD1 TRP 48 -6.565 -7.081 9.591 383 HE1 TRP 48 HE1 TRP 48 -4.980 -5.927 11.278 384 HE3 TRP 48 HE3 TRP 48 -2.518 -6.345 6.565 385 HZ2 TRP 48 HZ2 TRP 48 -2.398 -4.859 11.318 386 HZ3 TRP 48 HZ3 TRP 48 -0.539 -5.252 7.505 387 HH2 TRP 48 HH2 TRP 48 -0.477 -4.518 9.833 388 H ASN 49 HN ASN 49 -4.868 -8.436 4.284 389 HA ASN 49 HA ASN 49 -7.069 -10.147 3.471 390 HB2 ASN 49 HB2 ASN 49 -6.743 -7.259 2.720 391 HB3 ASN 49 HB1 ASN 49 -7.787 -8.373 1.879 392 HD21 ASN 49 HD21 ASN 49 -9.651 -9.118 2.909 393 HD22 ASN 49 HD22 ASN 49 -10.347 -8.273 4.246 394 H VAL 50 HN VAL 50 -5.712 -11.528 2.465 395 HA VAL 50 HA VAL 50 -3.637 -10.486 0.800 396 HB VAL 50 HB VAL 50 -3.087 -12.854 0.240 397 HG11 VAL 50 HG11 VAL 50 -3.379 -12.262 3.176 398 HG12 VAL 50 HG12 VAL 50 -2.038 -11.778 2.138 399 HG13 VAL 50 HG13 VAL 50 -2.321 -13.486 2.476 400 HG21 VAL 50 HG21 VAL 50 -5.296 -13.552 2.180 401 HG22 VAL 50 HG22 VAL 50 -4.208 -14.688 1.370 402 HG23 VAL 50 HG23 VAL 50 -5.380 -13.767 0.437 403 H ARG 51 HN ARG 51 -6.797 -11.939 0.222 404 HA ARG 51 HA ARG 51 -6.237 -11.812 -2.664 405 HB2 ARG 51 HB2 ARG 51 -8.224 -13.197 -2.996 406 HB3 ARG 51 HB1 ARG 51 -7.070 -13.956 -1.916 407 HG2 ARG 51 HG2 ARG 51 -8.423 -13.532 -0.016 408 HG3 ARG 51 HG1 ARG 51 -9.446 -12.414 -0.921 409 HD2 ARG 51 HD2 ARG 51 -9.212 -15.373 -1.452 410 HD3 ARG 51 HD1 ARG 51 -10.528 -14.603 -0.562 411 HE ARG 51 HE ARG 51 -10.350 -13.313 -3.011 412 HH11 ARG 51 HH11 ARG 51 -11.078 -16.571 -1.917 413 HH12 ARG 51 HH12 ARG 51 -12.141 -16.921 -3.198 414 HH21 ARG 51 HH21 ARG 51 -11.764 -13.774 -4.763 415 HH22 ARG 51 HH22 ARG 51 -12.523 -15.299 -4.879 416 H TYR 52 HN TYR 52 -7.315 -9.719 -0.578 417 HA TYR 52 HA TYR 52 -9.818 -8.966 -1.736 418 HB2 TYR 52 HB2 TYR 52 -9.194 -8.528 0.614 419 HB3 TYR 52 HB1 TYR 52 -8.013 -7.332 0.061 420 HD1 TYR 52 HD2 TYR 52 -11.516 -8.141 0.642 421 HD2 TYR 52 HD1 TYR 52 -8.828 -5.165 -0.743 422 HE1 TYR 52 HE2 TYR 52 -13.297 -6.462 0.843 423 HE2 TYR 52 HE1 TYR 52 -10.616 -3.465 -0.538 424 HH TYR 52 HH TYR 52 -13.068 -3.483 -0.588 425 H ASP 53 HN ASP 53 -6.700 -7.323 -1.625 426 HA ASP 53 HA ASP 53 -5.656 -5.807 -2.922 427 HB2 ASP 53 HB2 ASP 53 -7.145 -7.155 -5.204 428 HB3 ASP 53 HB1 ASP 53 -5.894 -5.948 -5.414 429 H GLU 54 HN GLU 54 -6.052 -3.791 -2.649 430 HA GLU 54 HA GLU 54 -8.609 -2.722 -3.622 431 HB2 GLU 54 HB2 GLU 54 -8.731 -3.175 -1.184 432 HB3 GLU 54 HB1 GLU 54 -7.337 -2.141 -0.947 433 HG2 GLU 54 HG2 GLU 54 -9.386 -0.982 -0.376 434 HG3 GLU 54 HG1 GLU 54 -8.598 -0.228 -1.758 435 H TRP 55 HN TRP 55 -8.653 -0.596 -3.978 436 HA TRP 55 HA TRP 55 -6.143 0.486 -4.976 437 HB2 TRP 55 HB2 TRP 55 -9.005 1.164 -5.508 438 HB3 TRP 55 HB1 TRP 55 -7.633 1.956 -6.280 439 HD1 TRP 55 HD1 TRP 55 -9.525 -1.369 -6.226 440 HE1 TRP 55 HE1 TRP 55 -8.896 -2.703 -8.335 441 HE3 TRP 55 HE3 TRP 55 -5.757 1.600 -7.972 442 HZ2 TRP 55 HZ2 TRP 55 -7.019 -2.537 -10.435 443 HZ3 TRP 55 HZ3 TRP 55 -4.582 0.935 -10.014 444 HH2 TRP 55 HH2 TRP 55 -5.200 -1.090 -11.224 445 H VAL 56 HN VAL 56 -5.224 2.027 -3.904 446 HA VAL 56 HA VAL 56 -6.815 3.994 -2.441 447 HB VAL 56 HB VAL 56 -5.065 4.054 -0.630 448 HG11 VAL 56 HG11 VAL 56 -7.160 2.886 -0.245 449 HG12 VAL 56 HG12 VAL 56 -5.829 2.071 0.576 450 HG13 VAL 56 HG13 VAL 56 -6.481 1.411 -0.927 451 HG21 VAL 56 HG21 VAL 56 -3.228 3.009 -1.848 452 HG22 VAL 56 HG22 VAL 56 -4.109 1.484 -1.907 453 HG23 VAL 56 HG23 VAL 56 -3.554 2.125 -0.363 454 H LYS 57 HN LYS 57 -5.896 6.056 -2.422 455 HA LYS 57 HA LYS 57 -4.074 6.632 -4.599 456 HB2 LYS 57 HB2 LYS 57 -5.201 8.412 -2.443 457 HB3 LYS 57 HB1 LYS 57 -4.246 8.972 -3.801 458 HG2 LYS 57 HG2 LYS 57 -5.941 8.385 -5.332 459 HG3 LYS 57 HG1 LYS 57 -6.878 7.556 -4.081 460 HD2 LYS 57 HD2 LYS 57 -6.973 9.726 -2.837 461 HD3 LYS 57 HD1 LYS 57 -6.263 10.493 -4.266 462 HE2 LYS 57 HE2 LYS 57 -8.162 9.840 -5.590 463 HE3 LYS 57 HE1 LYS 57 -8.843 8.943 -4.236 464 HZ1 LYS 57 HZ1 LYS 57 -9.910 11.091 -4.464 465 HZ2 LYS 57 HZ2 LYS 57 -8.444 11.884 -4.359 466 HZ3 LYS 57 HZ3 LYS 57 -9.042 11.051 -3.021 467 H ALA 58 HN ALA 58 -2.190 8.128 -4.140 468 HA ALA 58 HA ALA 58 -0.392 6.870 -2.397 469 HB1 ALA 58 HB1 ALA 58 0.299 8.022 -4.383 470 HB2 ALA 58 HB2 ALA 58 1.160 8.666 -2.979 471 HB3 ALA 58 HB3 ALA 58 -0.181 9.576 -3.703 472 H ASP 59 HN ASP 59 -2.572 9.518 -2.055 473 HA ASP 59 HA ASP 59 -1.752 10.898 0.251 474 HB2 ASP 59 HB2 ASP 59 -4.583 10.176 -0.563 475 HB3 ASP 59 HB1 ASP 59 -4.099 11.507 0.475 476 H ARG 60 HN ARG 60 -3.243 7.870 -0.284 477 HA ARG 60 HA ARG 60 -4.144 7.503 2.457 478 HB2 ARG 60 HB2 ARG 60 -4.686 6.091 -0.142 479 HB3 ARG 60 HB1 ARG 60 -5.326 5.547 1.408 480 HG2 ARG 60 HG2 ARG 60 -5.777 8.331 0.399 481 HG3 ARG 60 HG1 ARG 60 -6.797 6.985 -0.102 482 HD2 ARG 60 HD2 ARG 60 -6.297 7.756 2.770 483 HD3 ARG 60 HD1 ARG 60 -7.694 8.269 1.811 484 HE ARG 60 HE ARG 60 -7.021 5.495 2.471 485 HH11 ARG 60 HH11 ARG 60 -9.466 8.031 2.163 486 HH12 ARG 60 HH12 ARG 60 -10.783 6.983 1.957 487 HH21 ARG 60 HH21 ARG 60 -8.850 4.011 2.171 488 HH22 ARG 60 HH22 ARG 60 -10.418 4.637 1.903 489 H ILE 61 HN ILE 61 -1.318 7.103 0.972 490 HA ILE 61 HA ILE 61 -0.839 4.525 2.233 491 HB ILE 61 HB ILE 61 0.556 5.718 -0.197 492 HG12 ILE 61 HG12 ILE 61 -1.340 3.380 0.004 493 HG13 ILE 61 HG11 ILE 61 -1.706 4.940 -0.716 494 HG21 ILE 61 HG21 ILE 61 2.049 4.343 1.166 495 HG22 ILE 61 HG22 ILE 61 1.692 3.576 -0.384 496 HG23 ILE 61 HG23 ILE 61 0.878 3.020 1.086 497 HD11 ILE 61 HD11 ILE 61 0.324 2.958 -1.686 498 HD12 ILE 61 HD12 ILE 61 0.018 4.541 -2.407 499 HD13 ILE 61 HD13 ILE 61 -1.241 3.306 -2.425 500 H ILE 62 HN ILE 62 1.161 4.431 3.382 501 HA ILE 62 HA ILE 62 2.452 7.017 3.825 502 HB ILE 62 HB ILE 62 2.595 4.536 5.587 503 HG12 ILE 62 HG12 ILE 62 1.540 6.215 7.318 504 HG13 ILE 62 HG11 ILE 62 0.958 7.044 5.878 505 HG21 ILE 62 HG21 ILE 62 4.657 5.760 5.681 506 HG22 ILE 62 HG22 ILE 62 3.791 5.941 7.208 507 HG23 ILE 62 HG23 ILE 62 3.797 7.259 6.037 508 HD11 ILE 62 HD11 ILE 62 -0.112 4.816 5.244 509 HD12 ILE 62 HD12 ILE 62 -0.789 5.678 6.618 510 HD13 ILE 62 HD13 ILE 62 0.267 4.304 6.904 511 H TRP 63 HN TRP 63 4.002 7.140 2.419 512 HA TRP 63 HA TRP 63 5.524 4.805 1.630 513 HB2 TRP 63 HB2 TRP 63 5.595 7.674 0.682 514 HB3 TRP 63 HB1 TRP 63 6.622 6.395 0.045 515 HD1 TRP 63 HD1 TRP 63 3.119 7.799 -0.179 516 HE1 TRP 63 HE1 TRP 63 1.835 6.546 -2.003 517 HE3 TRP 63 HE3 TRP 63 6.452 4.043 -1.068 518 HZ2 TRP 63 HZ2 TRP 63 2.188 4.259 -3.616 519 HZ3 TRP 63 HZ3 TRP 63 5.905 2.356 -2.779 520 HH2 TRP 63 HH2 TRP 63 3.810 2.471 -4.022 521 HA PRO 64 HA PRO 64 8.582 5.980 4.675 522 HB2 PRO 64 HB2 PRO 64 10.410 4.176 3.248 523 HB3 PRO 64 HB1 PRO 64 9.807 4.065 4.909 524 HG2 PRO 64 HG2 PRO 64 8.997 2.331 3.033 525 HG3 PRO 64 HG1 PRO 64 7.913 2.939 4.304 526 HD2 PRO 64 HD2 PRO 64 8.120 3.794 1.441 527 HD3 PRO 64 HD1 PRO 64 6.677 3.467 2.429 528 H LEU 65 HN LEU 65 9.331 7.737 4.575 529 HA LEU 65 HA LEU 65 11.612 8.757 3.618 530 HB2 LEU 65 HB2 LEU 65 10.494 8.329 1.304 531 HB3 LEU 65 HB1 LEU 65 9.312 9.525 1.772 532 HG LEU 65 HG LEU 65 12.264 10.094 1.425 533 HD11 LEU 65 HD11 LEU 65 11.583 11.124 -0.694 534 HD12 LEU 65 HD12 LEU 65 9.933 10.540 -0.416 535 HD13 LEU 65 HD13 LEU 65 11.247 9.390 -0.645 536 HD21 LEU 65 HD21 LEU 65 11.558 12.447 1.414 537 HD22 LEU 65 HD22 LEU 65 11.059 11.631 2.914 538 HD23 LEU 65 HD23 LEU 65 9.880 11.930 1.652 539 H ASP 66 HN ASP 66 11.454 9.732 5.554 540 HA ASP 66 HA ASP 66 10.811 11.126 7.216 541 HB2 ASP 66 HB2 ASP 66 10.884 12.749 5.218 542 HB3 ASP 66 HB1 ASP 66 9.146 12.555 5.100 543 H LYS 67 HN LYS 67 8.276 12.331 7.736 544 HA LYS 67 HA LYS 67 6.371 10.138 7.463 545 HB2 LYS 67 HB2 LYS 67 7.549 9.894 9.675 546 HB3 LYS 67 HB1 LYS 67 6.898 11.454 10.142 547 HG2 LYS 67 HG2 LYS 67 5.553 9.678 11.130 548 HG3 LYS 67 HG1 LYS 67 4.634 10.561 9.897 549 HD2 LYS 67 HD2 LYS 67 4.917 8.808 8.303 550 HD3 LYS 67 HD1 LYS 67 6.056 7.956 9.345 551 HE2 LYS 67 HE2 LYS 67 3.854 6.886 9.361 552 HE3 LYS 67 HE1 LYS 67 4.264 7.515 10.950 553 HZ1 LYS 67 HZ1 LYS 67 2.800 9.388 10.562 554 HZ2 LYS 67 HZ2 LYS 67 1.945 7.973 10.320 555 HZ3 LYS 67 HZ3 LYS 67 2.449 8.875 9.009 556 H GLY 68 HN GLY 68 7.000 13.322 6.976 557 HA2 GLY 68 HA2 GLY 68 4.446 14.383 7.730 558 HA3 GLY 68 HA1 GLY 68 5.699 15.186 6.781 559 H LEU 69 HN LEU 69 5.719 12.608 5.187 560 HA LEU 69 HA LEU 69 5.056 11.888 3.182 561 HB2 LEU 69 HB2 LEU 69 2.443 12.582 4.387 562 HB3 LEU 69 HB1 LEU 69 2.501 12.080 2.705 563 HG LEU 69 HG LEU 69 3.515 9.921 3.461 564 HD11 LEU 69 HD11 LEU 69 4.490 10.598 5.559 565 HD12 LEU 69 HD12 LEU 69 3.325 9.293 5.825 566 HD13 LEU 69 HD13 LEU 69 2.892 10.958 6.203 567 HD21 LEU 69 HD21 LEU 69 1.449 8.997 4.370 568 HD22 LEU 69 HD22 LEU 69 1.163 10.068 3.000 569 HD23 LEU 69 HD23 LEU 69 0.848 10.632 4.641 570 H GLU 70 HN GLU 70 5.887 12.934 1.574 571 HA GLU 70 HA GLU 70 4.998 15.628 0.947 572 HB2 GLU 70 HB2 GLU 70 7.441 14.591 0.749 573 HB3 GLU 70 HB1 GLU 70 6.847 14.006 -0.789 574 HG2 GLU 70 HG2 GLU 70 7.036 16.902 0.059 575 HG3 GLU 70 HG1 GLU 70 8.119 16.075 -1.046 576 H HIS 71 HN HIS 71 3.053 15.651 0.041 577 HA HIS 71 HA HIS 71 2.080 13.589 -1.706 578 HB2 HIS 71 HB2 HIS 71 0.640 15.092 -0.240 579 HB3 HIS 71 HB1 HIS 71 1.029 16.413 -1.334 580 HD1 HIS 71 HD1 HIS 71 -0.784 16.827 -2.972 581 HD2 HIS 71 HD2 HIS 71 -0.580 12.849 -1.817 582 HE1 HIS 71 HE1 HIS 71 -2.717 15.714 -4.084 583 HE2 HIS 71 HE2 HIS 71 -2.788 13.518 -2.850 584 H HIS 72 HN HIS 72 3.289 13.379 -3.512 585 HA HIS 72 HA HIS 72 4.936 15.450 -4.292 586 HB2 HIS 72 HB2 HIS 72 5.369 12.972 -4.542 587 HB3 HIS 72 HB1 HIS 72 4.529 13.098 -6.088 588 HD1 HIS 72 HD1 HIS 72 7.067 15.322 -4.380 589 HD2 HIS 72 HD2 HIS 72 6.409 13.406 -8.009 590 HE1 HIS 72 HE1 HIS 72 9.001 15.967 -5.844 591 HE2 HIS 72 HE2 HIS 72 8.353 15.079 -8.105 592 H HIS 73 HN HIS 73 2.053 14.360 -6.058 593 HA HIS 73 HA HIS 73 2.422 16.761 -7.599 594 HB2 HIS 73 HB2 HIS 73 0.157 16.299 -8.682 595 HB3 HIS 73 HB1 HIS 73 1.360 15.058 -8.936 596 HD1 HIS 73 HD1 HIS 73 0.687 12.714 -8.377 597 HD2 HIS 73 HD2 HIS 73 -1.933 15.531 -6.817 598 HE1 HIS 73 HE1 HIS 73 -1.279 11.424 -7.588 599 HE2 HIS 73 HE2 HIS 73 -2.958 13.182 -7.050 600 H HIS 74 HN HIS 74 2.603 18.238 -6.314 601 HA HIS 74 HA HIS 74 0.762 18.583 -4.095 602 HB2 HIS 74 HB2 HIS 74 3.371 18.560 -4.116 603 HB3 HIS 74 HB1 HIS 74 3.201 20.223 -4.640 604 HD1 HIS 74 HD1 HIS 74 3.856 18.417 -1.748 605 HD2 HIS 74 HD2 HIS 74 1.292 21.575 -2.612 606 HE1 HIS 74 HE1 HIS 74 3.393 19.530 0.437 607 HE2 HIS 74 HE2 HIS 74 2.212 21.642 -0.222 608 H HIS 75 HN HIS 75 2.301 20.511 -6.643 609 HA HIS 75 HA HIS 75 -0.097 22.203 -6.801 610 HB2 HIS 75 HB2 HIS 75 1.734 23.259 -5.382 611 HB3 HIS 75 HB1 HIS 75 2.744 23.277 -6.820 612 HD1 HIS 75 HD1 HIS 75 2.589 25.372 -8.205 613 HD2 HIS 75 HD2 HIS 75 -0.687 24.893 -5.703 614 HE1 HIS 75 HE1 HIS 75 1.258 27.488 -8.405 615 HE2 HIS 75 HE2 HIS 75 -0.861 26.974 -7.185 616 H HIS 76 HN HIS 76 1.659 20.028 -8.259 617 HA HIS 76 HA HIS 76 1.255 21.040 -10.910 618 HB2 HIS 76 HB2 HIS 76 3.552 21.803 -10.367 619 HB3 HIS 76 HB1 HIS 76 3.963 20.163 -9.891 620 HD1 HIS 76 HD1 HIS 76 5.194 18.900 -11.646 621 HD2 HIS 76 HD2 HIS 76 2.749 21.829 -13.277 622 HE1 HIS 76 HE1 HIS 76 5.662 18.879 -14.092 623 HE2 HIS 76 HE2 HIS 76 3.951 20.372 -15.064 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 1.758 -10.132 -17.434 2 H2 GLU 1 HT2 GLU 1 2.363 -11.553 -16.727 3 H3 GLU 1 HT3 GLU 1 3.412 -10.448 -17.453 4 HA GLU 1 HA GLU 1 2.979 -8.823 -15.847 5 HB2 GLU 1 HB2 GLU 1 1.003 -10.825 -14.708 6 HB3 GLU 1 HB1 GLU 1 1.573 -9.438 -13.809 7 HG2 GLU 1 HG2 GLU 1 -0.621 -8.994 -14.713 8 HG3 GLU 1 HG1 GLU 1 0.558 -7.950 -15.497 9 H ASP 2 HN ASP 2 5.138 -9.212 -15.576 10 HA ASP 2 HA ASP 2 5.911 -11.436 -13.841 11 HB2 ASP 2 HB2 ASP 2 7.274 -11.006 -15.858 12 HB3 ASP 2 HB1 ASP 2 7.600 -9.378 -15.276 13 H MET 3 HN MET 3 6.753 -8.044 -14.101 14 HA MET 3 HA MET 3 5.755 -6.988 -11.814 15 HB2 MET 3 HB2 MET 3 7.196 -8.487 -10.466 16 HB3 MET 3 HB1 MET 3 8.611 -7.949 -11.355 17 HG2 MET 3 HG2 MET 3 8.321 -5.684 -10.472 18 HG3 MET 3 HG1 MET 3 6.883 -6.199 -9.604 19 HE1 MET 3 HE1 MET 3 7.714 -9.033 -8.447 20 HE2 MET 3 HE2 MET 3 6.916 -7.786 -7.490 21 HE3 MET 3 HE3 MET 3 8.372 -8.570 -6.876 22 H GLU 4 HN GLU 4 5.562 -5.154 -13.025 23 HA GLU 4 HA GLU 4 7.878 -4.036 -14.302 24 HB2 GLU 4 HB2 GLU 4 5.107 -2.910 -13.814 25 HB3 GLU 4 HB1 GLU 4 6.380 -2.010 -14.623 26 HG2 GLU 4 HG2 GLU 4 6.483 -3.763 -16.350 27 HG3 GLU 4 HG1 GLU 4 5.142 -4.585 -15.554 28 HA PRO 5 HA PRO 5 9.528 -2.670 -10.357 29 HB2 PRO 5 HB2 PRO 5 11.176 -0.944 -12.125 30 HB3 PRO 5 HB1 PRO 5 11.679 -2.058 -10.848 31 HG2 PRO 5 HG2 PRO 5 11.984 -2.755 -13.368 32 HG3 PRO 5 HG1 PRO 5 11.370 -3.935 -12.196 33 HD2 PRO 5 HD2 PRO 5 9.864 -2.351 -14.245 34 HD3 PRO 5 HD1 PRO 5 9.724 -4.064 -13.788 35 H CYS 6 HN CYS 6 7.274 -0.972 -11.639 36 HA CYS 6 HA CYS 6 8.003 1.631 -10.576 37 HB2 CYS 6 HB2 CYS 6 5.381 0.751 -11.800 38 HB3 CYS 6 HB1 CYS 6 5.862 2.397 -11.399 39 HG CYS 6 HG CYS 6 8.016 0.911 -13.422 40 H LEU 7 HN LEU 7 8.284 0.671 -8.479 41 HA LEU 7 HA LEU 7 7.683 0.761 -6.288 42 HB2 LEU 7 HB2 LEU 7 4.975 1.576 -7.314 43 HB3 LEU 7 HB1 LEU 7 5.495 1.669 -5.643 44 HG LEU 7 HG LEU 7 6.920 3.136 -7.845 45 HD11 LEU 7 HD11 LEU 7 4.685 4.158 -6.100 46 HD12 LEU 7 HD12 LEU 7 4.614 3.860 -7.845 47 HD13 LEU 7 HD13 LEU 7 5.664 5.121 -7.210 48 HD21 LEU 7 HD21 LEU 7 8.173 2.843 -5.782 49 HD22 LEU 7 HD22 LEU 7 6.830 3.506 -4.853 50 HD23 LEU 7 HD23 LEU 7 7.710 4.533 -5.982 51 H THR 8 HN THR 8 6.417 -1.503 -8.354 52 HA THR 8 HA THR 8 4.541 -2.800 -6.703 53 HB THR 8 HB THR 8 4.964 -4.766 -8.242 54 HG1 THR 8 HG1 THR 8 6.298 -3.319 -10.109 55 HG21 THR 8 HG21 THR 8 3.203 -3.136 -8.700 56 HG22 THR 8 HG22 THR 8 3.968 -3.637 -10.208 57 HG23 THR 8 HG23 THR 8 4.367 -2.073 -9.491 58 H GLY 9 HN GLY 9 4.728 -4.354 -5.204 59 HA2 GLY 9 HA2 GLY 9 5.769 -6.050 -3.979 60 HA3 GLY 9 HA1 GLY 9 7.297 -5.648 -4.747 61 H THR 10 HN THR 10 6.409 -2.734 -4.005 62 HA THR 10 HA THR 10 8.022 -2.540 -1.675 63 HB THR 10 HB THR 10 6.089 -0.544 -2.805 64 HG1 THR 10 HG1 THR 10 7.403 -0.690 -4.421 65 HG21 THR 10 HG21 THR 10 8.557 -0.127 -1.094 66 HG22 THR 10 HG22 THR 10 6.888 0.060 -0.567 67 HG23 THR 10 HG23 THR 10 7.558 1.158 -1.770 68 H LYS 11 HN LYS 11 7.424 -2.802 0.314 69 HA LYS 11 HA LYS 11 4.647 -3.243 0.928 70 HB2 LYS 11 HB2 LYS 11 7.081 -3.396 2.730 71 HB3 LYS 11 HB1 LYS 11 5.444 -3.865 3.169 72 HG2 LYS 11 HG2 LYS 11 5.482 -5.580 1.394 73 HG3 LYS 11 HG1 LYS 11 7.163 -5.160 1.064 74 HD2 LYS 11 HD2 LYS 11 7.789 -5.801 3.316 75 HD3 LYS 11 HD1 LYS 11 6.103 -6.132 3.708 76 HE2 LYS 11 HE2 LYS 11 7.227 -8.220 3.241 77 HE3 LYS 11 HE1 LYS 11 6.067 -7.876 1.966 78 HZ1 LYS 11 HZ1 LYS 11 7.944 -7.098 0.572 79 HZ2 LYS 11 HZ2 LYS 11 8.126 -8.691 1.066 80 HZ3 LYS 11 HZ3 LYS 11 9.006 -7.500 1.824 81 H VAL 12 HN VAL 12 3.382 -1.781 1.671 82 HA VAL 12 HA VAL 12 4.555 0.717 2.660 83 HB VAL 12 HB VAL 12 2.703 1.934 1.561 84 HG11 VAL 12 HG11 VAL 12 4.373 0.274 -0.316 85 HG12 VAL 12 HG12 VAL 12 4.869 1.775 0.459 86 HG13 VAL 12 HG13 VAL 12 3.565 1.787 -0.724 87 HG21 VAL 12 HG21 VAL 12 2.101 -0.723 0.250 88 HG22 VAL 12 HG22 VAL 12 1.337 0.819 -0.142 89 HG23 VAL 12 HG23 VAL 12 1.094 0.087 1.446 90 H LYS 13 HN LYS 13 2.717 2.069 3.618 91 HA LYS 13 HA LYS 13 1.113 0.419 5.443 92 HB2 LYS 13 HB2 LYS 13 3.012 2.526 5.775 93 HB3 LYS 13 HB1 LYS 13 1.422 3.149 6.182 94 HG2 LYS 13 HG2 LYS 13 2.567 0.666 7.399 95 HG3 LYS 13 HG1 LYS 13 2.786 2.299 8.090 96 HD2 LYS 13 HD2 LYS 13 0.217 2.382 7.918 97 HD3 LYS 13 HD1 LYS 13 0.335 0.627 7.809 98 HE2 LYS 13 HE2 LYS 13 1.513 2.310 10.006 99 HE3 LYS 13 HE1 LYS 13 -0.031 1.489 10.113 100 HZ1 LYS 13 HZ1 LYS 13 1.115 -0.631 9.928 101 HZ2 LYS 13 HZ2 LYS 13 1.699 0.260 11.208 102 HZ3 LYS 13 HZ3 LYS 13 2.620 0.150 9.808 103 H VAL 14 HN VAL 14 -1.129 0.925 5.396 104 HA VAL 14 HA VAL 14 -1.961 3.061 3.530 105 HB VAL 14 HB VAL 14 -3.061 0.236 3.711 106 HG11 VAL 14 HG11 VAL 14 -4.623 0.864 1.960 107 HG12 VAL 14 HG12 VAL 14 -4.046 2.533 2.033 108 HG13 VAL 14 HG13 VAL 14 -4.891 1.827 3.414 109 HG21 VAL 14 HG21 VAL 14 -1.746 1.701 1.413 110 HG22 VAL 14 HG22 VAL 14 -2.384 0.059 1.372 111 HG23 VAL 14 HG23 VAL 14 -1.009 0.444 2.404 112 H LYS 15 HN LYS 15 -3.538 4.381 4.290 113 HA LYS 15 HA LYS 15 -4.865 3.676 6.863 114 HB2 LYS 15 HB2 LYS 15 -3.126 5.553 6.797 115 HB3 LYS 15 HB1 LYS 15 -4.286 6.355 5.714 116 HG2 LYS 15 HG2 LYS 15 -4.916 5.635 8.600 117 HG3 LYS 15 HG1 LYS 15 -4.229 7.174 8.124 118 HD2 LYS 15 HD2 LYS 15 -6.241 7.592 6.743 119 HD3 LYS 15 HD1 LYS 15 -6.904 6.047 7.288 120 HE2 LYS 15 HE2 LYS 15 -6.796 6.861 9.616 121 HE3 LYS 15 HE1 LYS 15 -6.187 8.405 9.023 122 HZ1 LYS 15 HZ1 LYS 15 -8.498 8.597 9.424 123 HZ2 LYS 15 HZ2 LYS 15 -8.892 7.244 8.571 124 HZ3 LYS 15 HZ3 LYS 15 -8.322 8.618 7.756 125 H TYR 16 HN TYR 16 -7.076 3.276 6.397 126 HA TYR 16 HA TYR 16 -8.453 5.430 5.461 127 HB2 TYR 16 HB2 TYR 16 -9.841 4.427 3.600 128 HB3 TYR 16 HB1 TYR 16 -8.191 4.766 3.157 129 HD1 TYR 16 HD2 TYR 16 -7.718 2.223 4.936 130 HD2 TYR 16 HD1 TYR 16 -9.727 3.138 1.433 131 HE1 TYR 16 HE2 TYR 16 -7.432 -0.192 4.171 132 HE2 TYR 16 HE1 TYR 16 -9.500 0.825 0.577 133 HH TYR 16 HH TYR 16 -8.005 -1.109 1.023 134 H GLY 17 HN GLY 17 -10.809 5.268 5.632 135 HA2 GLY 17 HA2 GLY 17 -11.736 2.995 7.009 136 HA3 GLY 17 HA1 GLY 17 -11.330 4.329 8.084 137 H ARG 18 HN ARG 18 -13.745 2.903 7.103 138 HA ARG 18 HA ARG 18 -15.365 5.238 7.251 139 HB2 ARG 18 HB2 ARG 18 -16.885 4.361 5.443 140 HB3 ARG 18 HB1 ARG 18 -15.338 4.939 4.858 141 HG2 ARG 18 HG2 ARG 18 -14.555 2.601 4.736 142 HG3 ARG 18 HG1 ARG 18 -16.158 2.064 5.246 143 HD2 ARG 18 HD2 ARG 18 -17.131 3.164 3.286 144 HD3 ARG 18 HD1 ARG 18 -15.518 3.679 2.796 145 HE ARG 18 HE ARG 18 -15.733 0.864 3.158 146 HH11 ARG 18 HH11 ARG 18 -16.259 3.503 0.876 147 HH12 ARG 18 HH12 ARG 18 -16.126 2.508 -0.504 148 HH21 ARG 18 HH21 ARG 18 -15.524 -0.469 1.301 149 HH22 ARG 18 HH22 ARG 18 -15.641 0.211 -0.269 150 H GLY 19 HN GLY 19 -16.232 4.803 9.126 151 HA2 GLY 19 HA2 GLY 19 -17.575 3.765 10.683 152 HA3 GLY 19 HA1 GLY 19 -18.019 2.603 9.439 153 H LYS 20 HN LYS 20 -17.373 0.605 9.737 154 HA LYS 20 HA LYS 20 -15.517 0.027 11.898 155 HB2 LYS 20 HB2 LYS 20 -17.678 -1.170 11.760 156 HB3 LYS 20 HB1 LYS 20 -17.227 -1.809 10.196 157 HG2 LYS 20 HG2 LYS 20 -16.960 -3.534 11.862 158 HG3 LYS 20 HG1 LYS 20 -15.377 -3.050 11.262 159 HD2 LYS 20 HD2 LYS 20 -15.263 -3.350 13.653 160 HD3 LYS 20 HD1 LYS 20 -15.081 -1.640 13.284 161 HE2 LYS 20 HE2 LYS 20 -17.422 -1.250 13.900 162 HE3 LYS 20 HE1 LYS 20 -17.635 -2.975 14.200 163 HZ1 LYS 20 HZ1 LYS 20 -15.979 -2.816 15.965 164 HZ2 LYS 20 HZ2 LYS 20 -17.278 -1.809 16.264 165 HZ3 LYS 20 HZ3 LYS 20 -15.824 -1.156 15.705 166 H THR 21 HN THR 21 -15.290 0.528 8.584 167 HA THR 21 HA THR 21 -13.211 -1.422 8.087 168 HB THR 21 HB THR 21 -13.930 0.974 6.347 169 HG1 THR 21 HG1 THR 21 -15.405 -1.257 6.962 170 HG21 THR 21 HG21 THR 21 -13.162 -0.457 4.505 171 HG22 THR 21 HG22 THR 21 -12.828 -1.760 5.643 172 HG23 THR 21 HG23 THR 21 -11.882 -0.275 5.707 173 H GLN 22 HN GLN 22 -13.214 1.330 9.903 174 HA GLN 22 HA GLN 22 -10.846 2.588 8.885 175 HB2 GLN 22 HB2 GLN 22 -12.479 3.999 10.001 176 HB3 GLN 22 HB1 GLN 22 -12.293 3.077 11.483 177 HG2 GLN 22 HG2 GLN 22 -11.082 5.224 11.625 178 HG3 GLN 22 HG1 GLN 22 -10.027 3.811 11.707 179 HE21 GLN 22 HE21 GLN 22 -8.426 3.601 10.329 180 HE22 GLN 22 HE22 GLN 22 -8.072 4.617 8.996 181 H LYS 23 HN LYS 23 -9.085 1.704 8.880 182 HA LYS 23 HA LYS 23 -7.652 1.243 11.257 183 HB2 LYS 23 HB2 LYS 23 -7.071 -1.018 10.984 184 HB3 LYS 23 HB1 LYS 23 -8.820 -0.924 11.033 185 HG2 LYS 23 HG2 LYS 23 -9.000 -1.341 8.736 186 HG3 LYS 23 HG1 LYS 23 -7.268 -1.082 8.483 187 HD2 LYS 23 HD2 LYS 23 -7.533 -3.427 8.530 188 HD3 LYS 23 HD1 LYS 23 -6.895 -2.866 10.097 189 HE2 LYS 23 HE2 LYS 23 -9.068 -3.025 11.113 190 HE3 LYS 23 HE1 LYS 23 -9.786 -3.491 9.569 191 HZ1 LYS 23 HZ1 LYS 23 -7.824 -5.069 11.144 192 HZ2 LYS 23 HZ2 LYS 23 -8.354 -5.485 9.633 193 HZ3 LYS 23 HZ3 LYS 23 -9.450 -5.440 10.910 194 H ILE 24 HN ILE 24 -5.423 0.700 10.749 195 HA ILE 24 HA ILE 24 -4.698 1.694 8.116 196 HB ILE 24 HB ILE 24 -3.080 1.664 10.695 197 HG12 ILE 24 HG12 ILE 24 -4.286 4.019 9.319 198 HG13 ILE 24 HG11 ILE 24 -5.140 3.172 10.609 199 HG21 ILE 24 HG21 ILE 24 -1.590 3.170 9.462 200 HG22 ILE 24 HG22 ILE 24 -2.628 3.033 8.039 201 HG23 ILE 24 HG23 ILE 24 -1.746 1.629 8.625 202 HD11 ILE 24 HD11 ILE 24 -4.006 5.137 11.460 203 HD12 ILE 24 HD12 ILE 24 -2.464 4.537 10.824 204 HD13 ILE 24 HD13 ILE 24 -3.310 3.651 12.105 205 H TYR 25 HN TYR 25 -3.719 0.279 6.862 206 HA TYR 25 HA TYR 25 -3.188 -2.448 7.887 207 HB2 TYR 25 HB2 TYR 25 -3.721 -1.475 5.090 208 HB3 TYR 25 HB1 TYR 25 -3.361 -3.116 5.537 209 HD1 TYR 25 HD1 TYR 25 -5.923 -0.435 5.904 210 HD2 TYR 25 HD2 TYR 25 -5.105 -4.604 5.973 211 HE1 TYR 25 HE1 TYR 25 -8.340 -0.920 5.794 212 HE2 TYR 25 HE2 TYR 25 -7.509 -5.087 5.878 213 HH TYR 25 HH TYR 25 -9.677 -3.950 6.376 214 H GLU 26 HN GLU 26 -1.430 -3.556 6.773 215 HA GLU 26 HA GLU 26 0.590 -1.790 5.627 216 HB2 GLU 26 HB2 GLU 26 0.923 -4.357 7.195 217 HB3 GLU 26 HB1 GLU 26 2.236 -3.521 6.371 218 HG2 GLU 26 HG2 GLU 26 1.865 -1.553 7.757 219 HG3 GLU 26 HG1 GLU 26 0.545 -2.372 8.577 220 H ALA 27 HN ALA 27 1.061 -2.250 3.560 221 HA ALA 27 HA ALA 27 -0.092 -4.694 2.379 222 HB1 ALA 27 HB1 ALA 27 -0.946 -3.387 0.540 223 HB2 ALA 27 HB2 ALA 27 -0.341 -1.909 1.286 224 HB3 ALA 27 HB3 ALA 27 -1.629 -2.823 2.064 225 H SER 28 HN SER 28 0.569 -4.717 -0.009 226 HA SER 28 HA SER 28 3.176 -3.511 -0.467 227 HB2 SER 28 HB2 SER 28 2.395 -6.348 -1.206 228 HB3 SER 28 HB1 SER 28 3.947 -5.555 -1.520 229 HG SER 28 HG SER 28 3.377 -5.288 1.037 230 H ILE 29 HN ILE 29 3.341 -2.623 -2.435 231 HA ILE 29 HA ILE 29 0.972 -2.079 -3.905 232 HB ILE 29 HB ILE 29 3.835 -1.689 -4.831 233 HG12 ILE 29 HG12 ILE 29 3.544 -0.555 -2.700 234 HG13 ILE 29 HG11 ILE 29 3.621 0.635 -3.990 235 HG21 ILE 29 HG21 ILE 29 2.262 -1.491 -6.662 236 HG22 ILE 29 HG22 ILE 29 2.899 0.105 -6.262 237 HG23 ILE 29 HG23 ILE 29 1.281 -0.358 -5.734 238 HD11 ILE 29 HD11 ILE 29 1.156 -0.310 -2.540 239 HD12 ILE 29 HD12 ILE 29 1.153 0.793 -3.914 240 HD13 ILE 29 HD13 ILE 29 1.931 1.273 -2.407 241 H LYS 30 HN LYS 30 0.033 -3.226 -5.455 242 HA LYS 30 HA LYS 30 1.499 -5.537 -6.499 243 HB2 LYS 30 HB2 LYS 30 -0.660 -5.765 -5.112 244 HB3 LYS 30 HB1 LYS 30 -1.496 -5.097 -6.495 245 HG2 LYS 30 HG2 LYS 30 0.183 -7.591 -6.663 246 HG3 LYS 30 HG1 LYS 30 -1.511 -7.616 -6.210 247 HD2 LYS 30 HD2 LYS 30 -0.463 -6.442 -8.755 248 HD3 LYS 30 HD1 LYS 30 -1.024 -8.113 -8.618 249 HE2 LYS 30 HE2 LYS 30 -2.656 -5.609 -8.151 250 HE3 LYS 30 HE1 LYS 30 -2.791 -6.710 -9.514 251 HZ1 LYS 30 HZ1 LYS 30 -4.522 -7.208 -7.986 252 HZ2 LYS 30 HZ2 LYS 30 -3.529 -7.301 -6.666 253 HZ3 LYS 30 HZ3 LYS 30 -3.429 -8.472 -7.875 254 H SER 31 HN SER 31 -0.718 -2.889 -7.509 255 HA SER 31 HA SER 31 0.769 -2.690 -9.953 256 HB2 SER 31 HB2 SER 31 -0.983 -4.400 -10.473 257 HB3 SER 31 HB1 SER 31 -2.222 -3.260 -9.953 258 HG SER 31 HG SER 31 -2.204 -2.738 -11.977 259 H THR 32 HN THR 32 0.088 -0.608 -11.073 260 HA THR 32 HA THR 32 -1.349 1.193 -9.252 261 HB THR 32 HB THR 32 0.943 2.210 -10.838 262 HG1 THR 32 HG1 THR 32 1.319 0.296 -9.176 263 HG21 THR 32 HG21 THR 32 1.061 3.797 -9.005 264 HG22 THR 32 HG22 THR 32 -0.247 2.937 -8.192 265 HG23 THR 32 HG23 THR 32 -0.542 3.738 -9.740 266 H GLU 33 HN GLU 33 -2.580 2.658 -10.336 267 HA GLU 33 HA GLU 33 -2.342 2.935 -13.202 268 HB2 GLU 33 HB2 GLU 33 -4.856 1.821 -11.960 269 HB3 GLU 33 HB1 GLU 33 -4.819 2.639 -13.516 270 HG2 GLU 33 HG2 GLU 33 -3.236 0.982 -14.352 271 HG3 GLU 33 HG1 GLU 33 -3.311 0.124 -12.817 272 H ILE 34 HN ILE 34 -3.767 4.588 -14.035 273 HA ILE 34 HA ILE 34 -4.108 6.617 -11.980 274 HB ILE 34 HB ILE 34 -3.471 6.964 -14.910 275 HG12 ILE 34 HG12 ILE 34 -1.508 8.298 -14.064 276 HG13 ILE 34 HG11 ILE 34 -1.950 7.823 -12.432 277 HG21 ILE 34 HG21 ILE 34 -3.528 9.410 -14.558 278 HG22 ILE 34 HG22 ILE 34 -4.167 9.127 -12.937 279 HG23 ILE 34 HG23 ILE 34 -5.103 8.640 -14.348 280 HD11 ILE 34 HD11 ILE 34 -1.568 5.498 -13.039 281 HD12 ILE 34 HD12 ILE 34 -0.117 6.487 -13.218 282 HD13 ILE 34 HD13 ILE 34 -1.041 5.994 -14.651 283 H ASP 35 HN ASP 35 -6.032 7.342 -11.661 284 HA ASP 35 HA ASP 35 -8.188 6.751 -13.556 285 HB2 ASP 35 HB2 ASP 35 -8.281 5.004 -11.884 286 HB3 ASP 35 HB1 ASP 35 -8.133 6.179 -10.590 287 H ASP 36 HN ASP 36 -8.988 8.621 -14.119 288 HA ASP 36 HA ASP 36 -9.838 10.681 -14.127 289 HB2 ASP 36 HB2 ASP 36 -10.488 9.884 -11.326 290 HB3 ASP 36 HB1 ASP 36 -10.708 11.570 -11.775 291 H GLY 37 HN GLY 37 -6.969 10.378 -13.616 292 HA2 GLY 37 HA2 GLY 37 -5.505 12.270 -13.890 293 HA3 GLY 37 HA1 GLY 37 -6.581 13.194 -12.854 294 H GLU 38 HN GLU 38 -6.593 10.665 -11.099 295 HA GLU 38 HA GLU 38 -4.089 11.301 -9.684 296 HB2 GLU 38 HB2 GLU 38 -5.330 10.368 -7.705 297 HB3 GLU 38 HB1 GLU 38 -5.905 11.932 -8.286 298 HG2 GLU 38 HG2 GLU 38 -7.757 10.822 -9.404 299 HG3 GLU 38 HG1 GLU 38 -7.150 9.258 -8.879 300 H VAL 39 HN VAL 39 -3.009 9.659 -8.691 301 HA VAL 39 HA VAL 39 -3.330 7.227 -10.201 302 HB VAL 39 HB VAL 39 -1.161 8.327 -10.442 303 HG11 VAL 39 HG11 VAL 39 -0.812 7.948 -7.492 304 HG12 VAL 39 HG12 VAL 39 -1.044 9.459 -8.368 305 HG13 VAL 39 HG13 VAL 39 0.431 8.514 -8.623 306 HG21 VAL 39 HG21 VAL 39 -1.280 5.904 -10.651 307 HG22 VAL 39 HG22 VAL 39 -0.957 5.707 -8.940 308 HG23 VAL 39 HG23 VAL 39 0.282 6.370 -9.999 309 H LEU 40 HN LEU 40 -3.983 5.501 -9.419 310 HA LEU 40 HA LEU 40 -4.348 5.298 -6.533 311 HB2 LEU 40 HB2 LEU 40 -5.860 3.899 -8.728 312 HB3 LEU 40 HB1 LEU 40 -6.182 3.814 -7.008 313 HG LEU 40 HG LEU 40 -6.596 6.181 -8.815 314 HD11 LEU 40 HD11 LEU 40 -8.506 4.465 -7.254 315 HD12 LEU 40 HD12 LEU 40 -8.258 4.435 -8.998 316 HD13 LEU 40 HD13 LEU 40 -8.931 5.875 -8.229 317 HD21 LEU 40 HD21 LEU 40 -7.488 7.320 -6.846 318 HD22 LEU 40 HD22 LEU 40 -5.781 6.937 -6.659 319 HD23 LEU 40 HD23 LEU 40 -7.000 5.961 -5.832 320 H TYR 41 HN TYR 41 -3.757 3.476 -5.598 321 HA TYR 41 HA TYR 41 -2.060 1.736 -7.192 322 HB2 TYR 41 HB2 TYR 41 -1.982 2.454 -4.262 323 HB3 TYR 41 HB1 TYR 41 -0.989 1.207 -5.001 324 HD1 TYR 41 HD1 TYR 41 -1.760 4.834 -5.205 325 HD2 TYR 41 HD2 TYR 41 1.054 1.762 -5.937 326 HE1 TYR 41 HE1 TYR 41 -0.078 6.525 -5.774 327 HE2 TYR 41 HE2 TYR 41 2.752 3.437 -6.499 328 HH TYR 41 HH TYR 41 2.444 6.656 -5.749 329 H LEU 42 HN LEU 42 -2.349 -0.352 -7.037 330 HA LEU 42 HA LEU 42 -4.708 -1.263 -5.570 331 HB2 LEU 42 HB2 LEU 42 -4.275 -1.566 -8.198 332 HB3 LEU 42 HB1 LEU 42 -3.233 -2.856 -7.650 333 HG LEU 42 HG LEU 42 -6.210 -2.626 -7.347 334 HD11 LEU 42 HD11 LEU 42 -6.244 -4.728 -8.578 335 HD12 LEU 42 HD12 LEU 42 -4.492 -4.610 -8.785 336 HD13 LEU 42 HD13 LEU 42 -5.551 -3.386 -9.483 337 HD21 LEU 42 HD21 LEU 42 -6.187 -4.786 -6.223 338 HD22 LEU 42 HD22 LEU 42 -5.394 -3.530 -5.269 339 HD23 LEU 42 HD23 LEU 42 -4.423 -4.727 -6.134 340 H VAL 43 HN VAL 43 -4.035 -2.083 -3.741 341 HA VAL 43 HA VAL 43 -1.268 -3.098 -3.521 342 HB VAL 43 HB VAL 43 -1.156 -2.151 -1.316 343 HG11 VAL 43 HG11 VAL 43 -0.715 -0.604 -3.114 344 HG12 VAL 43 HG12 VAL 43 -1.360 0.203 -1.683 345 HG13 VAL 43 HG13 VAL 43 -2.396 -0.077 -3.080 346 HG21 VAL 43 HG21 VAL 43 -3.451 -2.608 -0.550 347 HG22 VAL 43 HG22 VAL 43 -4.067 -1.358 -1.627 348 HG23 VAL 43 HG23 VAL 43 -3.036 -0.915 -0.272 349 H HIS 44 HN HIS 44 -1.042 -4.888 -2.202 350 HA HIS 44 HA HIS 44 -3.555 -5.952 -1.256 351 HB2 HIS 44 HB2 HIS 44 -2.993 -8.289 -1.789 352 HB3 HIS 44 HB1 HIS 44 -3.072 -7.312 -3.235 353 HD1 HIS 44 HD1 HIS 44 -1.693 -9.046 -4.564 354 HD2 HIS 44 HD2 HIS 44 0.315 -7.564 -1.238 355 HE1 HIS 44 HE1 HIS 44 0.654 -9.881 -4.762 356 HE2 HIS 44 HE2 HIS 44 1.623 -9.341 -2.511 357 H TYR 45 HN TYR 45 -3.626 -6.836 0.605 358 HA TYR 45 HA TYR 45 -1.412 -6.286 2.357 359 HB2 TYR 45 HB2 TYR 45 -4.094 -7.569 2.994 360 HB3 TYR 45 HB1 TYR 45 -3.001 -6.781 4.140 361 HD1 TYR 45 HD2 TYR 45 -2.344 -4.312 3.347 362 HD2 TYR 45 HD1 TYR 45 -5.953 -6.291 2.336 363 HE1 TYR 45 HE2 TYR 45 -3.381 -2.146 2.825 364 HE2 TYR 45 HE1 TYR 45 -6.992 -4.118 1.798 365 HH TYR 45 HH TYR 45 -6.685 -1.742 2.326 366 H TYR 46 HN TYR 46 0.048 -7.761 2.917 367 HA TYR 46 HA TYR 46 0.153 -10.063 1.393 368 HB2 TYR 46 HB2 TYR 46 2.234 -10.660 2.803 369 HB3 TYR 46 HB1 TYR 46 2.257 -9.241 1.778 370 HD1 TYR 46 HD2 TYR 46 2.289 -10.466 5.224 371 HD2 TYR 46 HD1 TYR 46 2.345 -7.001 2.763 372 HE1 TYR 46 HE2 TYR 46 3.072 -9.124 7.136 373 HE2 TYR 46 HE1 TYR 46 3.138 -5.651 4.664 374 HH TYR 46 HH TYR 46 4.287 -7.113 7.508 375 H GLY 47 HN GLY 47 0.718 -12.221 2.017 376 HA2 GLY 47 HA2 GLY 47 -1.463 -13.667 2.509 377 HA3 GLY 47 HA1 GLY 47 0.147 -14.275 2.815 378 H TRP 48 HN TRP 48 -2.725 -13.001 4.096 379 HA TRP 48 HA TRP 48 -2.796 -14.347 6.526 380 HB2 TRP 48 HB2 TRP 48 -0.871 -12.956 7.203 381 HB3 TRP 48 HB1 TRP 48 -1.738 -11.502 6.747 382 HD1 TRP 48 HD1 TRP 48 -2.844 -10.283 8.712 383 HE1 TRP 48 HE1 TRP 48 -3.535 -10.910 11.116 384 HE3 TRP 48 HE3 TRP 48 -1.832 -15.285 8.564 385 HZ2 TRP 48 HZ2 TRP 48 -3.658 -13.224 12.709 386 HZ3 TRP 48 HZ3 TRP 48 -2.268 -16.633 10.566 387 HH2 TRP 48 HH2 TRP 48 -3.158 -15.617 12.600 388 H ASN 49 HN ASN 49 -3.291 -11.269 5.012 389 HA ASN 49 HA ASN 49 -5.954 -10.997 6.122 390 HB2 ASN 49 HB2 ASN 49 -4.423 -9.092 6.159 391 HB3 ASN 49 HB1 ASN 49 -4.216 -9.206 4.420 392 HD21 ASN 49 HD21 ASN 49 -6.320 -8.275 7.001 393 HD22 ASN 49 HD22 ASN 49 -7.393 -7.327 6.049 394 H VAL 50 HN VAL 50 -7.556 -12.004 5.056 395 HA VAL 50 HA VAL 50 -7.248 -12.915 2.351 396 HB VAL 50 HB VAL 50 -9.727 -13.004 4.118 397 HG11 VAL 50 HG11 VAL 50 -9.039 -14.654 1.687 398 HG12 VAL 50 HG12 VAL 50 -10.256 -13.382 1.762 399 HG13 VAL 50 HG13 VAL 50 -10.466 -14.857 2.705 400 HG21 VAL 50 HG21 VAL 50 -7.839 -14.117 5.189 401 HG22 VAL 50 HG22 VAL 50 -7.573 -15.082 3.738 402 HG23 VAL 50 HG23 VAL 50 -9.052 -15.290 4.677 403 H ARG 51 HN ARG 51 -8.567 -10.216 3.884 404 HA ARG 51 HA ARG 51 -10.387 -9.118 2.075 405 HB2 ARG 51 HB2 ARG 51 -9.718 -8.449 4.457 406 HB3 ARG 51 HB1 ARG 51 -8.309 -7.700 3.768 407 HG2 ARG 51 HG2 ARG 51 -11.085 -6.834 3.058 408 HG3 ARG 51 HG1 ARG 51 -10.256 -6.262 4.495 409 HD2 ARG 51 HD2 ARG 51 -8.391 -5.562 2.917 410 HD3 ARG 51 HD1 ARG 51 -9.567 -5.806 1.619 411 HE ARG 51 HE ARG 51 -9.948 -3.971 3.894 412 HH11 ARG 51 HH11 ARG 51 -10.540 -4.812 0.506 413 HH12 ARG 51 HH12 ARG 51 -11.234 -3.316 0.100 414 HH21 ARG 51 HH21 ARG 51 -10.980 -1.975 3.387 415 HH22 ARG 51 HH22 ARG 51 -11.552 -1.657 1.814 416 H TYR 52 HN TYR 52 -6.891 -8.928 2.256 417 HA TYR 52 HA TYR 52 -5.213 -8.867 0.850 418 HB2 TYR 52 HB2 TYR 52 -6.631 -10.898 0.157 419 HB3 TYR 52 HB1 TYR 52 -6.899 -10.006 -1.327 420 HD1 TYR 52 HD2 TYR 52 -4.114 -11.018 0.911 421 HD2 TYR 52 HD1 TYR 52 -5.415 -10.405 -3.074 422 HE1 TYR 52 HE2 TYR 52 -1.975 -11.891 0.098 423 HE2 TYR 52 HE1 TYR 52 -3.279 -11.298 -3.907 424 HH TYR 52 HH TYR 52 -1.078 -12.918 -1.868 425 H ASP 53 HN ASP 53 -7.243 -8.300 -1.989 426 HA ASP 53 HA ASP 53 -5.421 -6.094 -2.620 427 HB2 ASP 53 HB2 ASP 53 -7.405 -7.595 -4.308 428 HB3 ASP 53 HB1 ASP 53 -6.707 -6.086 -4.851 429 H GLU 54 HN GLU 54 -5.957 -4.016 -2.789 430 HA GLU 54 HA GLU 54 -8.657 -3.163 -3.173 431 HB2 GLU 54 HB2 GLU 54 -8.610 -3.576 -0.710 432 HB3 GLU 54 HB1 GLU 54 -7.270 -2.456 -0.569 433 HG2 GLU 54 HG2 GLU 54 -9.401 -1.437 0.089 434 HG3 GLU 54 HG1 GLU 54 -8.687 -0.621 -1.303 435 H TRP 55 HN TRP 55 -8.832 -0.937 -3.460 436 HA TRP 55 HA TRP 55 -6.475 0.219 -4.742 437 HB2 TRP 55 HB2 TRP 55 -9.391 0.696 -4.870 438 HB3 TRP 55 HB1 TRP 55 -8.232 1.730 -5.702 439 HD1 TRP 55 HD1 TRP 55 -9.615 -1.861 -5.780 440 HE1 TRP 55 HE1 TRP 55 -9.089 -2.889 -8.080 441 HE3 TRP 55 HE3 TRP 55 -6.681 1.860 -7.651 442 HZ2 TRP 55 HZ2 TRP 55 -7.592 -2.191 -10.398 443 HZ3 TRP 55 HZ3 TRP 55 -5.722 1.612 -9.893 444 HH2 TRP 55 HH2 TRP 55 -6.156 -0.373 -11.234 445 H VAL 56 HN VAL 56 -5.487 1.833 -3.808 446 HA VAL 56 HA VAL 56 -7.001 3.772 -2.240 447 HB VAL 56 HB VAL 56 -5.108 3.979 -0.586 448 HG11 VAL 56 HG11 VAL 56 -6.485 1.300 -0.640 449 HG12 VAL 56 HG12 VAL 56 -7.162 2.803 -0.018 450 HG13 VAL 56 HG13 VAL 56 -5.771 2.070 0.777 451 HG21 VAL 56 HG21 VAL 56 -3.532 2.124 -0.331 452 HG22 VAL 56 HG22 VAL 56 -3.379 2.858 -1.927 453 HG23 VAL 56 HG23 VAL 56 -4.228 1.329 -1.744 454 H LYS 57 HN LYS 57 -6.027 5.858 -2.165 455 HA LYS 57 HA LYS 57 -4.464 6.368 -4.549 456 HB2 LYS 57 HB2 LYS 57 -6.524 7.683 -4.033 457 HB3 LYS 57 HB1 LYS 57 -5.752 8.266 -2.574 458 HG2 LYS 57 HG2 LYS 57 -4.074 9.426 -3.912 459 HG3 LYS 57 HG1 LYS 57 -4.831 8.821 -5.392 460 HD2 LYS 57 HD2 LYS 57 -6.882 9.991 -4.879 461 HD3 LYS 57 HD1 LYS 57 -6.251 10.499 -3.317 462 HE2 LYS 57 HE2 LYS 57 -4.596 11.881 -4.396 463 HE3 LYS 57 HE1 LYS 57 -5.086 11.305 -5.984 464 HZ1 LYS 57 HZ1 LYS 57 -6.800 12.849 -4.108 465 HZ2 LYS 57 HZ2 LYS 57 -7.247 12.273 -5.641 466 HZ3 LYS 57 HZ3 LYS 57 -6.070 13.452 -5.509 467 H ALA 58 HN ALA 58 -2.624 7.814 -4.396 468 HA ALA 58 HA ALA 58 -0.572 6.877 -2.812 469 HB1 ALA 58 HB1 ALA 58 0.743 8.682 -3.670 470 HB2 ALA 58 HB2 ALA 58 -0.706 9.620 -3.999 471 HB3 ALA 58 HB3 ALA 58 -0.379 8.185 -4.950 472 H ASP 59 HN ASP 59 -2.811 9.423 -2.205 473 HA ASP 59 HA ASP 59 -1.334 10.778 -0.163 474 HB2 ASP 59 HB2 ASP 59 -4.249 10.936 -0.891 475 HB3 ASP 59 HB1 ASP 59 -3.464 11.976 0.289 476 H ARG 60 HN ARG 60 -3.135 7.930 -0.107 477 HA ARG 60 HA ARG 60 -3.558 8.178 2.785 478 HB2 ARG 60 HB2 ARG 60 -4.869 6.559 0.685 479 HB3 ARG 60 HB1 ARG 60 -4.794 5.938 2.325 480 HG2 ARG 60 HG2 ARG 60 -5.878 8.111 3.040 481 HG3 ARG 60 HG1 ARG 60 -6.191 8.396 1.318 482 HD2 ARG 60 HD2 ARG 60 -7.371 6.268 1.146 483 HD3 ARG 60 HD1 ARG 60 -6.770 5.942 2.781 484 HE ARG 60 HE ARG 60 -8.243 7.490 3.675 485 HH11 ARG 60 HH11 ARG 60 -8.970 6.595 0.320 486 HH12 ARG 60 HH12 ARG 60 -10.639 6.912 0.407 487 HH21 ARG 60 HH21 ARG 60 -10.573 7.999 3.788 488 HH22 ARG 60 HH22 ARG 60 -11.561 7.795 2.414 489 H ILE 61 HN ILE 61 -1.173 7.293 0.949 490 HA ILE 61 HA ILE 61 -0.742 4.761 2.310 491 HB ILE 61 HB ILE 61 0.584 5.822 -0.211 492 HG12 ILE 61 HG12 ILE 61 -1.509 3.667 0.149 493 HG13 ILE 61 HG11 ILE 61 -1.753 5.232 -0.612 494 HG21 ILE 61 HG21 ILE 61 0.771 3.125 1.115 495 HG22 ILE 61 HG22 ILE 61 2.044 4.352 1.083 496 HG23 ILE 61 HG23 ILE 61 1.528 3.570 -0.416 497 HD11 ILE 61 HD11 ILE 61 0.008 3.009 -1.591 498 HD12 ILE 61 HD12 ILE 61 -0.159 4.584 -2.376 499 HD13 ILE 61 HD13 ILE 61 -1.543 3.492 -2.276 500 H ILE 62 HN ILE 62 1.048 4.557 3.535 501 HA ILE 62 HA ILE 62 2.709 6.947 3.832 502 HB ILE 62 HB ILE 62 2.592 4.599 5.764 503 HG12 ILE 62 HG12 ILE 62 1.519 6.390 7.353 504 HG13 ILE 62 HG11 ILE 62 1.035 7.185 5.859 505 HG21 ILE 62 HG21 ILE 62 3.840 7.309 6.060 506 HG22 ILE 62 HG22 ILE 62 4.671 5.775 5.799 507 HG23 ILE 62 HG23 ILE 62 3.789 6.053 7.301 508 HD11 ILE 62 HD11 ILE 62 -0.170 5.046 5.249 509 HD12 ILE 62 HD12 ILE 62 -0.798 5.894 6.653 510 HD13 ILE 62 HD13 ILE 62 0.206 4.469 6.880 511 H TRP 63 HN TRP 63 4.269 6.722 2.528 512 HA TRP 63 HA TRP 63 5.309 4.175 1.725 513 HB2 TRP 63 HB2 TRP 63 6.122 7.003 1.032 514 HB3 TRP 63 HB1 TRP 63 6.789 5.551 0.291 515 HD1 TRP 63 HD1 TRP 63 3.607 7.692 0.351 516 HE1 TRP 63 HE1 TRP 63 2.136 7.013 -1.637 517 HE3 TRP 63 HE3 TRP 63 6.282 3.662 -1.248 518 HZ2 TRP 63 HZ2 TRP 63 2.133 5.004 -3.636 519 HZ3 TRP 63 HZ3 TRP 63 5.487 2.412 -3.203 520 HH2 TRP 63 HH2 TRP 63 3.459 3.064 -4.365 521 HA PRO 64 HA PRO 64 8.412 4.397 4.967 522 HB2 PRO 64 HB2 PRO 64 9.663 2.212 3.401 523 HB3 PRO 64 HB1 PRO 64 9.198 2.220 5.104 524 HG2 PRO 64 HG2 PRO 64 7.814 0.807 3.312 525 HG3 PRO 64 HG1 PRO 64 7.008 1.649 4.650 526 HD2 PRO 64 HD2 PRO 64 7.219 2.445 1.771 527 HD3 PRO 64 HD1 PRO 64 5.838 2.562 2.887 528 H LEU 65 HN LEU 65 9.808 5.901 4.777 529 HA LEU 65 HA LEU 65 11.960 6.150 3.026 530 HB2 LEU 65 HB2 LEU 65 9.855 6.559 1.483 531 HB3 LEU 65 HB1 LEU 65 9.740 8.075 2.343 532 HG LEU 65 HG LEU 65 10.774 8.407 0.183 533 HD11 LEU 65 HD11 LEU 65 12.814 8.704 2.364 534 HD12 LEU 65 HD12 LEU 65 11.580 9.877 1.906 535 HD13 LEU 65 HD13 LEU 65 12.882 9.485 0.783 536 HD21 LEU 65 HD21 LEU 65 12.860 6.442 1.075 537 HD22 LEU 65 HD22 LEU 65 12.866 7.370 -0.435 538 HD23 LEU 65 HD23 LEU 65 11.610 6.169 -0.138 539 H ASP 66 HN ASP 66 12.476 6.483 5.294 540 HA ASP 66 HA ASP 66 13.334 7.846 6.889 541 HB2 ASP 66 HB2 ASP 66 14.011 9.452 5.291 542 HB3 ASP 66 HB1 ASP 66 12.370 10.003 5.019 543 H LYS 67 HN LYS 67 10.041 8.442 6.009 544 HA LYS 67 HA LYS 67 8.101 8.442 7.161 545 HB2 LYS 67 HB2 LYS 67 9.196 6.813 8.769 546 HB3 LYS 67 HB1 LYS 67 9.697 8.180 9.741 547 HG2 LYS 67 HG2 LYS 67 7.765 7.199 10.760 548 HG3 LYS 67 HG1 LYS 67 7.280 8.743 10.059 549 HD2 LYS 67 HD2 LYS 67 6.326 7.599 8.133 550 HD3 LYS 67 HD1 LYS 67 6.885 6.048 8.749 551 HE2 LYS 67 HE2 LYS 67 4.836 7.847 10.058 552 HE3 LYS 67 HE1 LYS 67 4.498 6.370 9.172 553 HZ1 LYS 67 HZ1 LYS 67 5.829 5.168 10.888 554 HZ2 LYS 67 HZ2 LYS 67 4.428 5.878 11.441 555 HZ3 LYS 67 HZ3 LYS 67 5.897 6.605 11.791 556 H GLY 68 HN GLY 68 6.733 10.054 8.002 557 HA2 GLY 68 HA2 GLY 68 6.427 12.081 9.243 558 HA3 GLY 68 HA1 GLY 68 8.098 12.488 8.890 559 H LEU 69 HN LEU 69 8.110 11.798 6.162 560 HA LEU 69 HA LEU 69 7.814 12.619 4.140 561 HB2 LEU 69 HB2 LEU 69 5.075 13.133 5.207 562 HB3 LEU 69 HB1 LEU 69 5.496 13.640 3.579 563 HG LEU 69 HG LEU 69 6.069 11.196 3.134 564 HD11 LEU 69 HD11 LEU 69 6.262 10.392 5.401 565 HD12 LEU 69 HD12 LEU 69 5.020 9.495 4.529 566 HD13 LEU 69 HD13 LEU 69 4.558 10.738 5.692 567 HD21 LEU 69 HD21 LEU 69 4.057 12.221 2.256 568 HD22 LEU 69 HD22 LEU 69 3.207 11.896 3.768 569 HD23 LEU 69 HD23 LEU 69 3.733 10.558 2.746 570 H GLU 70 HN GLU 70 8.367 14.327 6.598 571 HA GLU 70 HA GLU 70 9.088 16.661 5.133 572 HB2 GLU 70 HB2 GLU 70 6.724 17.166 5.793 573 HB3 GLU 70 HB1 GLU 70 7.162 16.920 7.468 574 HG2 GLU 70 HG2 GLU 70 8.398 19.070 5.746 575 HG3 GLU 70 HG1 GLU 70 6.941 19.320 6.691 576 H HIS 71 HN HIS 71 11.091 16.743 5.712 577 HA HIS 71 HA HIS 71 11.716 17.132 8.453 578 HB2 HIS 71 HB2 HIS 71 12.910 14.820 6.945 579 HB3 HIS 71 HB1 HIS 71 13.899 15.685 8.119 580 HD1 HIS 71 HD1 HIS 71 12.080 12.725 7.997 581 HD2 HIS 71 HD2 HIS 71 12.115 15.913 10.664 582 HE1 HIS 71 HE1 HIS 71 11.110 11.840 10.120 583 HE2 HIS 71 HE2 HIS 71 10.875 13.869 11.594 584 H HIS 72 HN HIS 72 11.722 19.137 7.540 585 HA HIS 72 HA HIS 72 13.560 19.956 5.557 586 HB2 HIS 72 HB2 HIS 72 13.040 22.262 6.190 587 HB3 HIS 72 HB1 HIS 72 11.578 21.296 6.101 588 HD1 HIS 72 HD1 HIS 72 10.398 20.760 8.395 589 HD2 HIS 72 HD2 HIS 72 13.586 23.402 8.655 590 HE1 HIS 72 HE1 HIS 72 10.143 21.916 10.623 591 HE2 HIS 72 HE2 HIS 72 12.190 23.375 10.820 592 H HIS 73 HN HIS 73 14.085 19.176 8.808 593 HA HIS 73 HA HIS 73 16.459 20.807 9.049 594 HB2 HIS 73 HB2 HIS 73 15.067 20.364 11.049 595 HB3 HIS 73 HB1 HIS 73 15.416 18.646 10.912 596 HD1 HIS 73 HD1 HIS 73 17.197 17.924 12.506 597 HD2 HIS 73 HD2 HIS 73 17.704 21.872 11.323 598 HE1 HIS 73 HE1 HIS 73 19.213 18.742 13.733 599 HE2 HIS 73 HE2 HIS 73 19.689 20.942 12.682 600 H HIS 74 HN HIS 74 15.733 17.843 7.607 601 HA HIS 74 HA HIS 74 18.570 17.312 7.402 602 HB2 HIS 74 HB2 HIS 74 17.777 15.829 9.218 603 HB3 HIS 74 HB1 HIS 74 16.569 15.159 8.128 604 HD1 HIS 74 HD1 HIS 74 17.279 13.061 6.958 605 HD2 HIS 74 HD2 HIS 74 20.525 15.339 8.197 606 HE1 HIS 74 HE1 HIS 74 19.316 11.719 6.383 607 HE2 HIS 74 HE2 HIS 74 21.192 12.972 7.456 608 H HIS 75 HN HIS 75 18.830 17.656 5.378 609 HA HIS 75 HA HIS 75 16.875 17.408 3.367 610 HB2 HIS 75 HB2 HIS 75 18.906 18.915 3.337 611 HB3 HIS 75 HB1 HIS 75 19.871 17.491 2.991 612 HD1 HIS 75 HD1 HIS 75 19.941 16.694 0.577 613 HD2 HIS 75 HD2 HIS 75 17.104 19.654 1.236 614 HE1 HIS 75 HE1 HIS 75 19.097 17.344 -1.676 615 HE2 HIS 75 HE2 HIS 75 17.651 19.326 -1.247 616 H HIS 76 HN HIS 76 16.497 15.840 1.896 617 HA HIS 76 HA HIS 76 17.637 13.216 2.455 618 HB2 HIS 76 HB2 HIS 76 15.227 13.969 0.761 619 HB3 HIS 76 HB1 HIS 76 15.718 12.342 1.202 620 HD1 HIS 76 HD1 HIS 76 13.515 15.038 2.236 621 HD2 HIS 76 HD2 HIS 76 15.490 11.910 4.130 622 HE1 HIS 76 HE1 HIS 76 12.348 14.736 4.411 623 HE2 HIS 76 HE2 HIS 76 13.459 12.766 5.499 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 12.111 -13.229 -16.657 2 H2 GLU 1 HT2 GLU 1 10.707 -14.117 -17.004 3 H3 GLU 1 HT3 GLU 1 10.863 -13.252 -15.544 4 HA GLU 1 HA GLU 1 10.873 -11.972 -18.184 5 HB2 GLU 1 HB2 GLU 1 8.601 -12.167 -16.167 6 HB3 GLU 1 HB1 GLU 1 8.626 -11.061 -17.516 7 HG2 GLU 1 HG2 GLU 1 7.209 -12.916 -18.041 8 HG3 GLU 1 HG1 GLU 1 8.648 -13.012 -19.049 9 H ASP 2 HN ASP 2 10.588 -9.657 -17.949 10 HA ASP 2 HA ASP 2 11.382 -8.698 -15.312 11 HB2 ASP 2 HB2 ASP 2 13.263 -8.513 -16.958 12 HB3 ASP 2 HB1 ASP 2 12.228 -7.519 -17.975 13 H MET 3 HN MET 3 9.258 -8.351 -14.806 14 HA MET 3 HA MET 3 8.030 -6.129 -16.239 15 HB2 MET 3 HB2 MET 3 6.892 -8.224 -16.916 16 HB3 MET 3 HB1 MET 3 6.594 -8.586 -15.222 17 HG2 MET 3 HG2 MET 3 5.195 -6.580 -15.035 18 HG3 MET 3 HG1 MET 3 5.489 -6.221 -16.734 19 HE1 MET 3 HE1 MET 3 4.824 -9.752 -15.027 20 HE2 MET 3 HE2 MET 3 3.074 -9.862 -15.194 21 HE3 MET 3 HE3 MET 3 3.783 -8.624 -14.155 22 H GLU 4 HN GLU 4 8.070 -4.562 -14.846 23 HA GLU 4 HA GLU 4 7.204 -5.101 -12.104 24 HB2 GLU 4 HB2 GLU 4 9.343 -3.151 -12.998 25 HB3 GLU 4 HB1 GLU 4 8.762 -3.353 -11.349 26 HG2 GLU 4 HG2 GLU 4 9.644 -5.566 -11.238 27 HG3 GLU 4 HG1 GLU 4 10.074 -5.530 -12.945 28 HA PRO 5 HA PRO 5 3.963 -2.590 -14.078 29 HB2 PRO 5 HB2 PRO 5 3.172 -2.855 -11.207 30 HB3 PRO 5 HB1 PRO 5 2.159 -2.919 -12.654 31 HG2 PRO 5 HG2 PRO 5 2.903 -5.164 -11.466 32 HG3 PRO 5 HG1 PRO 5 2.895 -5.044 -13.235 33 HD2 PRO 5 HD2 PRO 5 5.217 -5.098 -11.371 34 HD3 PRO 5 HD1 PRO 5 5.094 -5.643 -13.044 35 H CYS 6 HN CYS 6 4.459 -1.677 -10.703 36 HA CYS 6 HA CYS 6 5.704 0.813 -11.201 37 HB2 CYS 6 HB2 CYS 6 3.372 1.145 -12.227 38 HB3 CYS 6 HB1 CYS 6 2.726 0.997 -10.606 39 HG CYS 6 HG CYS 6 2.933 3.661 -11.774 40 H LEU 7 HN LEU 7 6.781 1.014 -9.311 41 HA LEU 7 HA LEU 7 7.384 1.001 -7.140 42 HB2 LEU 7 HB2 LEU 7 4.435 1.487 -6.751 43 HB3 LEU 7 HB1 LEU 7 5.535 1.403 -5.398 44 HG LEU 7 HG LEU 7 5.150 3.672 -5.793 45 HD11 LEU 7 HD11 LEU 7 7.803 3.053 -7.039 46 HD12 LEU 7 HD12 LEU 7 7.441 3.211 -5.324 47 HD13 LEU 7 HD13 LEU 7 7.298 4.610 -6.387 48 HD21 LEU 7 HD21 LEU 7 5.455 4.800 -7.961 49 HD22 LEU 7 HD22 LEU 7 4.169 3.601 -8.001 50 HD23 LEU 7 HD23 LEU 7 5.735 3.233 -8.720 51 H THR 8 HN THR 8 6.622 -1.569 -8.394 52 HA THR 8 HA THR 8 5.191 -3.117 -6.575 53 HB THR 8 HB THR 8 6.241 -4.971 -8.082 54 HG1 THR 8 HG1 THR 8 7.829 -3.631 -9.036 55 HG21 THR 8 HG21 THR 8 3.921 -4.166 -8.061 56 HG22 THR 8 HG22 THR 8 4.488 -4.502 -9.686 57 HG23 THR 8 HG23 THR 8 4.390 -2.834 -9.114 58 H GLY 9 HN GLY 9 5.758 -4.700 -5.204 59 HA2 GLY 9 HA2 GLY 9 7.268 -6.131 -4.082 60 HA3 GLY 9 HA1 GLY 9 8.597 -5.109 -4.621 61 H THR 10 HN THR 10 7.369 -2.658 -3.920 62 HA THR 10 HA THR 10 8.334 -2.303 -1.336 63 HB THR 10 HB THR 10 6.283 -0.549 -2.641 64 HG1 THR 10 HG1 THR 10 7.620 -0.464 -4.267 65 HG21 THR 10 HG21 THR 10 8.718 0.014 -0.926 66 HG22 THR 10 HG22 THR 10 7.037 0.089 -0.401 67 HG23 THR 10 HG23 THR 10 7.641 1.240 -1.592 68 H LYS 11 HN LYS 11 7.385 -2.728 0.568 69 HA LYS 11 HA LYS 11 4.502 -3.058 0.618 70 HB2 LYS 11 HB2 LYS 11 4.742 -3.904 2.900 71 HB3 LYS 11 HB1 LYS 11 5.713 -4.835 1.778 72 HG2 LYS 11 HG2 LYS 11 7.717 -3.978 2.587 73 HG3 LYS 11 HG1 LYS 11 6.929 -2.602 3.362 74 HD2 LYS 11 HD2 LYS 11 6.601 -5.483 4.218 75 HD3 LYS 11 HD1 LYS 11 7.709 -4.331 4.969 76 HE2 LYS 11 HE2 LYS 11 5.746 -2.861 5.454 77 HE3 LYS 11 HE1 LYS 11 4.698 -4.128 4.830 78 HZ1 LYS 11 HZ1 LYS 11 6.557 -4.533 7.088 79 HZ2 LYS 11 HZ2 LYS 11 5.272 -5.547 6.628 80 HZ3 LYS 11 HZ3 LYS 11 4.975 -4.029 7.263 81 H VAL 12 HN VAL 12 3.254 -1.631 1.445 82 HA VAL 12 HA VAL 12 4.487 0.713 2.726 83 HB VAL 12 HB VAL 12 2.771 2.097 1.675 84 HG11 VAL 12 HG11 VAL 12 4.309 0.429 -0.306 85 HG12 VAL 12 HG12 VAL 12 4.911 1.846 0.554 86 HG13 VAL 12 HG13 VAL 12 3.609 2.015 -0.625 87 HG21 VAL 12 HG21 VAL 12 1.319 1.206 -0.087 88 HG22 VAL 12 HG22 VAL 12 1.013 0.401 1.452 89 HG23 VAL 12 HG23 VAL 12 1.955 -0.416 0.204 90 H LYS 13 HN LYS 13 2.699 2.001 3.849 91 HA LYS 13 HA LYS 13 0.799 0.154 5.052 92 HB2 LYS 13 HB2 LYS 13 2.671 0.897 6.605 93 HB3 LYS 13 HB1 LYS 13 2.059 2.538 6.400 94 HG2 LYS 13 HG2 LYS 13 0.123 2.119 7.589 95 HG3 LYS 13 HG1 LYS 13 0.271 0.370 7.414 96 HD2 LYS 13 HD2 LYS 13 0.809 1.123 9.701 97 HD3 LYS 13 HD1 LYS 13 2.185 0.354 8.914 98 HE2 LYS 13 HE2 LYS 13 3.068 2.590 8.363 99 HE3 LYS 13 HE1 LYS 13 1.712 3.312 9.226 100 HZ1 LYS 13 HZ1 LYS 13 3.656 3.246 10.603 101 HZ2 LYS 13 HZ2 LYS 13 3.805 1.572 10.407 102 HZ3 LYS 13 HZ3 LYS 13 2.490 2.215 11.241 103 H VAL 14 HN VAL 14 -1.231 0.916 5.215 104 HA VAL 14 HA VAL 14 -1.739 3.395 3.715 105 HB VAL 14 HB VAL 14 -3.405 0.864 3.711 106 HG11 VAL 14 HG11 VAL 14 -4.720 2.927 3.478 107 HG12 VAL 14 HG12 VAL 14 -4.781 1.913 2.052 108 HG13 VAL 14 HG13 VAL 14 -3.765 3.358 2.057 109 HG21 VAL 14 HG21 VAL 14 -2.724 0.636 1.351 110 HG22 VAL 14 HG22 VAL 14 -1.346 0.546 2.443 111 HG23 VAL 14 HG23 VAL 14 -1.648 2.021 1.530 112 H LYS 15 HN LYS 15 -3.077 4.802 4.595 113 HA LYS 15 HA LYS 15 -4.515 4.081 7.067 114 HB2 LYS 15 HB2 LYS 15 -2.840 5.998 7.223 115 HB3 LYS 15 HB1 LYS 15 -3.826 6.808 5.997 116 HG2 LYS 15 HG2 LYS 15 -5.717 6.919 7.512 117 HG3 LYS 15 HG1 LYS 15 -4.820 6.041 8.749 118 HD2 LYS 15 HD2 LYS 15 -3.171 7.866 8.833 119 HD3 LYS 15 HD1 LYS 15 -4.087 8.745 7.616 120 HE2 LYS 15 HE2 LYS 15 -5.104 7.979 10.362 121 HE3 LYS 15 HE1 LYS 15 -4.513 9.572 9.909 122 HZ1 LYS 15 HZ1 LYS 15 -6.973 8.215 8.914 123 HZ2 LYS 15 HZ2 LYS 15 -6.338 9.637 8.239 124 HZ3 LYS 15 HZ3 LYS 15 -6.850 9.625 9.830 125 H TYR 16 HN TYR 16 -6.490 3.453 6.299 126 HA TYR 16 HA TYR 16 -7.755 5.130 4.248 127 HB2 TYR 16 HB2 TYR 16 -7.414 2.479 4.193 128 HB3 TYR 16 HB1 TYR 16 -8.808 2.511 5.259 129 HD1 TYR 16 HD1 TYR 16 -10.860 3.847 4.362 130 HD2 TYR 16 HD2 TYR 16 -7.705 2.423 1.927 131 HE1 TYR 16 HE1 TYR 16 -12.360 3.919 2.392 132 HE2 TYR 16 HE2 TYR 16 -9.184 2.489 -0.070 133 HH TYR 16 HH TYR 16 -11.572 2.417 -0.526 134 H GLY 17 HN GLY 17 -8.917 6.675 5.244 135 HA2 GLY 17 HA2 GLY 17 -10.104 5.990 7.837 136 HA3 GLY 17 HA1 GLY 17 -9.292 7.509 7.539 137 H ARG 18 HN ARG 18 -12.112 5.979 7.754 138 HA ARG 18 HA ARG 18 -13.639 8.295 6.895 139 HB2 ARG 18 HB2 ARG 18 -14.603 5.445 6.548 140 HB3 ARG 18 HB1 ARG 18 -15.425 6.894 6.070 141 HG2 ARG 18 HG2 ARG 18 -13.659 7.269 4.315 142 HG3 ARG 18 HG1 ARG 18 -13.021 5.669 4.749 143 HD2 ARG 18 HD2 ARG 18 -15.120 4.630 4.222 144 HD3 ARG 18 HD1 ARG 18 -15.846 6.189 3.854 145 HE ARG 18 HE ARG 18 -13.595 5.809 2.245 146 HH11 ARG 18 HH11 ARG 18 -16.842 4.468 2.688 147 HH12 ARG 18 HH12 ARG 18 -17.050 4.022 1.054 148 HH21 ARG 18 HH21 ARG 18 -13.880 5.181 -0.039 149 HH22 ARG 18 HH22 ARG 18 -15.342 4.460 -0.525 150 H GLY 19 HN GLY 19 -15.836 8.028 8.109 151 HA2 GLY 19 HA2 GLY 19 -15.499 8.016 10.827 152 HA3 GLY 19 HA1 GLY 19 -17.024 7.649 10.043 153 H LYS 20 HN LYS 20 -16.820 5.245 9.036 154 HA LYS 20 HA LYS 20 -16.206 3.518 11.310 155 HB2 LYS 20 HB2 LYS 20 -18.420 3.175 10.355 156 HB3 LYS 20 HB1 LYS 20 -17.737 2.963 8.750 157 HG2 LYS 20 HG2 LYS 20 -18.333 0.802 9.624 158 HG3 LYS 20 HG1 LYS 20 -16.575 0.940 9.550 159 HD2 LYS 20 HD2 LYS 20 -16.662 1.603 12.001 160 HD3 LYS 20 HD1 LYS 20 -18.349 1.099 11.972 161 HE2 LYS 20 HE2 LYS 20 -17.040 -0.739 12.795 162 HE3 LYS 20 HE1 LYS 20 -17.598 -1.142 11.173 163 HZ1 LYS 20 HZ1 LYS 20 -15.276 -1.731 11.456 164 HZ2 LYS 20 HZ2 LYS 20 -14.894 -0.174 11.908 165 HZ3 LYS 20 HZ3 LYS 20 -15.383 -0.478 10.327 166 H THR 21 HN THR 21 -15.504 3.860 7.866 167 HA THR 21 HA THR 21 -13.714 1.650 7.792 168 HB THR 21 HB THR 21 -14.006 3.867 5.759 169 HG1 THR 21 HG1 THR 21 -15.481 1.451 5.873 170 HG21 THR 21 HG21 THR 21 -12.163 2.278 5.399 171 HG22 THR 21 HG22 THR 21 -13.396 2.187 4.155 172 HG23 THR 21 HG23 THR 21 -13.321 0.936 5.405 173 H GLN 22 HN GLN 22 -12.572 2.807 9.760 174 HA GLN 22 HA GLN 22 -10.171 4.034 8.620 175 HB2 GLN 22 HB2 GLN 22 -11.183 5.813 9.889 176 HB3 GLN 22 HB1 GLN 22 -11.449 4.735 11.249 177 HG2 GLN 22 HG2 GLN 22 -9.562 6.227 11.749 178 HG3 GLN 22 HG1 GLN 22 -9.083 4.531 11.584 179 HE21 GLN 22 HE21 GLN 22 -7.617 3.949 10.115 180 HE22 GLN 22 HE22 GLN 22 -6.796 5.049 9.061 181 H LYS 23 HN LYS 23 -8.859 2.609 8.493 182 HA LYS 23 HA LYS 23 -7.808 1.394 10.807 183 HB2 LYS 23 HB2 LYS 23 -7.882 -0.976 9.985 184 HB3 LYS 23 HB1 LYS 23 -9.454 -0.341 10.379 185 HG2 LYS 23 HG2 LYS 23 -8.393 -0.661 7.568 186 HG3 LYS 23 HG1 LYS 23 -9.422 -1.822 8.400 187 HD2 LYS 23 HD2 LYS 23 -11.007 0.237 8.693 188 HD3 LYS 23 HD1 LYS 23 -10.073 0.906 7.361 189 HE2 LYS 23 HE2 LYS 23 -11.554 -1.697 7.372 190 HE3 LYS 23 HE1 LYS 23 -12.112 -0.222 6.584 191 HZ1 LYS 23 HZ1 LYS 23 -11.216 -1.555 4.922 192 HZ2 LYS 23 HZ2 LYS 23 -9.976 -2.087 5.832 193 HZ3 LYS 23 HZ3 LYS 23 -9.914 -0.519 5.176 194 H ILE 24 HN ILE 24 -5.711 0.975 10.628 195 HA ILE 24 HA ILE 24 -4.453 1.768 8.123 196 HB ILE 24 HB ILE 24 -3.369 1.700 10.962 197 HG12 ILE 24 HG12 ILE 24 -4.138 4.120 9.335 198 HG13 ILE 24 HG11 ILE 24 -5.208 3.371 10.515 199 HG21 ILE 24 HG21 ILE 24 -1.627 1.451 9.255 200 HG22 ILE 24 HG22 ILE 24 -1.511 3.024 10.044 201 HG23 ILE 24 HG23 ILE 24 -2.216 2.896 8.433 202 HD11 ILE 24 HD11 ILE 24 -2.507 4.569 11.089 203 HD12 ILE 24 HD12 ILE 24 -3.597 3.791 12.243 204 HD13 ILE 24 HD13 ILE 24 -4.088 5.291 11.452 205 H TYR 25 HN TYR 25 -3.263 0.301 7.137 206 HA TYR 25 HA TYR 25 -2.419 -2.128 8.439 207 HB2 TYR 25 HB2 TYR 25 -3.446 -3.338 6.271 208 HB3 TYR 25 HB1 TYR 25 -4.337 -3.197 7.772 209 HD1 TYR 25 HD2 TYR 25 -3.886 -0.405 5.310 210 HD2 TYR 25 HD1 TYR 25 -6.476 -3.405 6.860 211 HE1 TYR 25 HE2 TYR 25 -5.790 0.593 4.089 212 HE2 TYR 25 HE1 TYR 25 -8.333 -2.436 5.664 213 HH TYR 25 HH TYR 25 -8.019 -0.175 3.209 214 H GLU 26 HN GLU 26 -1.129 -3.480 6.960 215 HA GLU 26 HA GLU 26 0.475 -1.733 5.236 216 HB2 GLU 26 HB2 GLU 26 1.239 -4.227 6.752 217 HB3 GLU 26 HB1 GLU 26 2.314 -3.322 5.695 218 HG2 GLU 26 HG2 GLU 26 2.212 -1.409 7.128 219 HG3 GLU 26 HG1 GLU 26 0.984 -2.177 8.132 220 H ALA 27 HN ALA 27 0.918 -2.326 3.202 221 HA ALA 27 HA ALA 27 -0.171 -4.852 2.194 222 HB1 ALA 27 HB1 ALA 27 -1.340 -3.725 0.429 223 HB2 ALA 27 HB2 ALA 27 -0.810 -2.159 1.033 224 HB3 ALA 27 HB3 ALA 27 -1.928 -3.139 1.982 225 H SER 28 HN SER 28 0.617 -5.405 0.128 226 HA SER 28 HA SER 28 3.173 -4.131 -0.519 227 HB2 SER 28 HB2 SER 28 2.085 -6.698 -1.655 228 HB3 SER 28 HB1 SER 28 3.761 -6.149 -1.502 229 HG SER 28 HG SER 28 3.576 -6.406 0.773 230 H ILE 29 HN ILE 29 3.457 -3.186 -2.544 231 HA ILE 29 HA ILE 29 1.089 -2.478 -4.022 232 HB ILE 29 HB ILE 29 3.970 -1.950 -4.799 233 HG12 ILE 29 HG12 ILE 29 3.604 -1.045 -2.552 234 HG13 ILE 29 HG11 ILE 29 3.739 0.258 -3.720 235 HG21 ILE 29 HG21 ILE 29 2.413 -1.592 -6.612 236 HG22 ILE 29 HG22 ILE 29 3.025 -0.036 -6.041 237 HG23 ILE 29 HG23 ILE 29 1.408 -0.570 -5.585 238 HD11 ILE 29 HD11 ILE 29 2.018 0.767 -2.153 239 HD12 ILE 29 HD12 ILE 29 1.230 -0.781 -2.431 240 HD13 ILE 29 HD13 ILE 29 1.259 0.435 -3.714 241 H LYS 30 HN LYS 30 0.249 -3.586 -5.687 242 HA LYS 30 HA LYS 30 1.919 -5.613 -7.022 243 HB2 LYS 30 HB2 LYS 30 -0.598 -5.851 -6.035 244 HB3 LYS 30 HB1 LYS 30 -0.960 -5.389 -7.687 245 HG2 LYS 30 HG2 LYS 30 0.625 -7.804 -6.794 246 HG3 LYS 30 HG1 LYS 30 -0.999 -7.777 -7.427 247 HD2 LYS 30 HD2 LYS 30 1.404 -6.919 -9.037 248 HD3 LYS 30 HD1 LYS 30 0.757 -8.555 -9.047 249 HE2 LYS 30 HE2 LYS 30 -1.398 -7.650 -9.865 250 HE3 LYS 30 HE1 LYS 30 -0.682 -6.039 -9.905 251 HZ1 LYS 30 HZ1 LYS 30 0.997 -6.966 -11.493 252 HZ2 LYS 30 HZ2 LYS 30 -0.555 -6.950 -12.094 253 HZ3 LYS 30 HZ3 LYS 30 0.107 -8.391 -11.536 254 H SER 31 HN SER 31 -0.140 -2.789 -7.622 255 HA SER 31 HA SER 31 1.254 -2.157 -10.042 256 HB2 SER 31 HB2 SER 31 -1.693 -2.899 -10.199 257 HB3 SER 31 HB1 SER 31 -0.742 -2.178 -11.497 258 HG SER 31 HG SER 31 0.561 -4.279 -10.633 259 H THR 32 HN THR 32 0.306 -0.051 -10.966 260 HA THR 32 HA THR 32 -1.362 1.432 -9.094 261 HB THR 32 HB THR 32 1.014 2.763 -10.348 262 HG1 THR 32 HG1 THR 32 1.043 0.894 -8.314 263 HG21 THR 32 HG21 THR 32 -0.529 3.238 -7.832 264 HG22 THR 32 HG22 THR 32 -0.721 4.084 -9.373 265 HG23 THR 32 HG23 THR 32 0.786 4.232 -8.456 266 H GLU 33 HN GLU 33 -2.522 3.048 -10.238 267 HA GLU 33 HA GLU 33 -1.752 3.632 -12.904 268 HB2 GLU 33 HB2 GLU 33 -3.700 3.032 -14.022 269 HB3 GLU 33 HB1 GLU 33 -3.166 1.631 -13.063 270 HG2 GLU 33 HG2 GLU 33 -4.938 1.923 -11.514 271 HG3 GLU 33 HG1 GLU 33 -5.371 3.481 -12.220 272 H ILE 34 HN ILE 34 -3.165 5.300 -13.799 273 HA ILE 34 HA ILE 34 -4.010 7.018 -11.616 274 HB ILE 34 HB ILE 34 -3.136 7.761 -14.406 275 HG12 ILE 34 HG12 ILE 34 -1.271 9.034 -13.236 276 HG13 ILE 34 HG11 ILE 34 -1.825 8.297 -11.742 277 HG21 ILE 34 HG21 ILE 34 -4.019 9.555 -12.142 278 HG22 ILE 34 HG22 ILE 34 -4.892 9.248 -13.640 279 HG23 ILE 34 HG23 ILE 34 -3.354 10.119 -13.676 280 HD11 ILE 34 HD11 ILE 34 0.153 7.181 -12.591 281 HD12 ILE 34 HD12 ILE 34 -0.704 6.807 -14.106 282 HD13 ILE 34 HD13 ILE 34 -1.260 6.123 -12.579 283 H ASP 35 HN ASP 35 -6.068 7.076 -11.472 284 HA ASP 35 HA ASP 35 -7.733 6.936 -13.863 285 HB2 ASP 35 HB2 ASP 35 -7.639 4.631 -12.946 286 HB3 ASP 35 HB1 ASP 35 -8.231 5.243 -11.403 287 H ASP 36 HN ASP 36 -9.369 8.254 -13.815 288 HA ASP 36 HA ASP 36 -10.731 9.930 -13.256 289 HB2 ASP 36 HB2 ASP 36 -11.553 8.282 -11.490 290 HB3 ASP 36 HB1 ASP 36 -10.462 9.066 -10.353 291 H GLY 37 HN GLY 37 -7.834 10.101 -13.260 292 HA2 GLY 37 HA2 GLY 37 -6.545 12.045 -13.367 293 HA3 GLY 37 HA1 GLY 37 -7.710 12.836 -12.319 294 H GLU 38 HN GLU 38 -7.159 10.136 -10.650 295 HA GLU 38 HA GLU 38 -4.841 11.306 -9.333 296 HB2 GLU 38 HB2 GLU 38 -5.811 10.364 -7.210 297 HB3 GLU 38 HB1 GLU 38 -6.673 11.724 -7.920 298 HG2 GLU 38 HG2 GLU 38 -8.272 10.093 -8.909 299 HG3 GLU 38 HG1 GLU 38 -7.455 8.822 -8.000 300 H VAL 39 HN VAL 39 -3.669 9.654 -7.887 301 HA VAL 39 HA VAL 39 -3.251 7.367 -9.665 302 HB VAL 39 HB VAL 39 -1.397 8.061 -7.407 303 HG11 VAL 39 HG11 VAL 39 0.298 6.990 -8.896 304 HG12 VAL 39 HG12 VAL 39 -0.997 6.632 -10.032 305 HG13 VAL 39 HG13 VAL 39 -1.017 5.924 -8.443 306 HG21 VAL 39 HG21 VAL 39 -1.315 9.319 -10.159 307 HG22 VAL 39 HG22 VAL 39 -0.022 9.408 -8.969 308 HG23 VAL 39 HG23 VAL 39 -1.589 10.137 -8.625 309 H LEU 40 HN LEU 40 -4.010 5.560 -9.159 310 HA LEU 40 HA LEU 40 -4.673 4.939 -6.380 311 HB2 LEU 40 HB2 LEU 40 -5.877 3.876 -8.922 312 HB3 LEU 40 HB1 LEU 40 -6.384 3.482 -7.293 313 HG LEU 40 HG LEU 40 -6.635 6.176 -8.621 314 HD11 LEU 40 HD11 LEU 40 -8.154 4.483 -9.491 315 HD12 LEU 40 HD12 LEU 40 -9.009 5.733 -8.592 316 HD13 LEU 40 HD13 LEU 40 -8.719 4.155 -7.852 317 HD21 LEU 40 HD21 LEU 40 -6.250 6.409 -6.240 318 HD22 LEU 40 HD22 LEU 40 -7.519 5.238 -5.890 319 HD23 LEU 40 HD23 LEU 40 -7.929 6.795 -6.620 320 H TYR 41 HN TYR 41 -3.878 3.196 -5.609 321 HA TYR 41 HA TYR 41 -2.022 1.571 -7.206 322 HB2 TYR 41 HB2 TYR 41 -2.151 2.144 -4.240 323 HB3 TYR 41 HB1 TYR 41 -1.069 0.967 -4.963 324 HD1 TYR 41 HD1 TYR 41 -1.936 4.626 -5.162 325 HD2 TYR 41 HD2 TYR 41 1.070 1.625 -5.528 326 HE1 TYR 41 HE1 TYR 41 -0.249 6.347 -5.440 327 HE2 TYR 41 HE2 TYR 41 2.766 3.377 -5.817 328 HH TYR 41 HH TYR 41 2.882 5.702 -6.521 329 H LEU 42 HN LEU 42 -2.185 -0.628 -7.070 330 HA LEU 42 HA LEU 42 -4.575 -1.655 -5.721 331 HB2 LEU 42 HB2 LEU 42 -4.555 -2.081 -8.142 332 HB3 LEU 42 HB1 LEU 42 -2.970 -2.818 -8.009 333 HG LEU 42 HG LEU 42 -3.915 -4.651 -6.690 334 HD11 LEU 42 HD11 LEU 42 -5.762 -3.496 -5.593 335 HD12 LEU 42 HD12 LEU 42 -6.349 -4.904 -6.465 336 HD13 LEU 42 HD13 LEU 42 -6.569 -3.296 -7.144 337 HD21 LEU 42 HD21 LEU 42 -5.199 -5.711 -8.478 338 HD22 LEU 42 HD22 LEU 42 -3.779 -4.877 -9.109 339 HD23 LEU 42 HD23 LEU 42 -5.378 -4.152 -9.279 340 H VAL 43 HN VAL 43 -4.068 -2.398 -3.861 341 HA VAL 43 HA VAL 43 -1.413 -3.571 -3.465 342 HB VAL 43 HB VAL 43 -1.299 -2.512 -1.297 343 HG11 VAL 43 HG11 VAL 43 -2.201 -0.484 -3.290 344 HG12 VAL 43 HG12 VAL 43 -0.598 -1.194 -3.187 345 HG13 VAL 43 HG13 VAL 43 -1.203 -0.192 -1.862 346 HG21 VAL 43 HG21 VAL 43 -4.062 -1.388 -1.839 347 HG22 VAL 43 HG22 VAL 43 -3.057 -1.023 -0.438 348 HG23 VAL 43 HG23 VAL 43 -3.691 -2.654 -0.670 349 H HIS 44 HN HIS 44 -1.329 -5.307 -2.117 350 HA HIS 44 HA HIS 44 -3.892 -6.331 -1.114 351 HB2 HIS 44 HB2 HIS 44 -3.076 -7.875 -2.850 352 HB3 HIS 44 HB1 HIS 44 -1.492 -7.929 -2.097 353 HD1 HIS 44 HD1 HIS 44 -1.859 -10.559 -2.065 354 HD2 HIS 44 HD2 HIS 44 -4.471 -8.470 0.370 355 HE1 HIS 44 HE1 HIS 44 -2.753 -12.241 -0.430 356 HE2 HIS 44 HE2 HIS 44 -4.600 -11.015 0.717 357 H TYR 45 HN TYR 45 -3.987 -6.439 0.960 358 HA TYR 45 HA TYR 45 -1.884 -5.555 2.576 359 HB2 TYR 45 HB2 TYR 45 -4.431 -7.003 3.388 360 HB3 TYR 45 HB1 TYR 45 -3.440 -5.961 4.422 361 HD1 TYR 45 HD2 TYR 45 -3.044 -3.563 3.574 362 HD2 TYR 45 HD1 TYR 45 -6.220 -6.009 2.183 363 HE1 TYR 45 HE2 TYR 45 -4.165 -1.578 2.674 364 HE2 TYR 45 HE1 TYR 45 -7.356 -4.018 1.262 365 HH TYR 45 HH TYR 45 -7.390 -1.555 1.485 366 H TYR 46 HN TYR 46 -0.141 -6.634 2.648 367 HA TYR 46 HA TYR 46 1.397 -8.155 2.618 368 HB2 TYR 46 HB2 TYR 46 -0.484 -9.393 4.551 369 HB3 TYR 46 HB1 TYR 46 0.980 -10.267 4.068 370 HD1 TYR 46 HD2 TYR 46 3.169 -9.201 4.373 371 HD2 TYR 46 HD1 TYR 46 -0.354 -7.567 6.082 372 HE1 TYR 46 HE2 TYR 46 4.545 -7.836 5.849 373 HE2 TYR 46 HE1 TYR 46 1.022 -6.175 7.574 374 HH TYR 46 HH TYR 46 3.293 -6.190 8.495 375 H GLY 47 HN GLY 47 1.519 -8.514 0.514 376 HA2 GLY 47 HA2 GLY 47 1.981 -10.717 -0.625 377 HA3 GLY 47 HA1 GLY 47 0.259 -10.992 -0.416 378 H TRP 48 HN TRP 48 0.906 -11.216 -2.834 379 HA TRP 48 HA TRP 48 0.615 -8.663 -4.210 380 HB2 TRP 48 HB2 TRP 48 1.238 -11.447 -5.264 381 HB3 TRP 48 HB1 TRP 48 1.110 -10.008 -6.268 382 HD1 TRP 48 HD1 TRP 48 3.333 -11.412 -3.410 383 HE1 TRP 48 HE1 TRP 48 5.666 -10.379 -3.606 384 HE3 TRP 48 HE3 TRP 48 2.480 -8.188 -7.310 385 HZ2 TRP 48 HZ2 TRP 48 6.989 -8.455 -5.216 386 HZ3 TRP 48 HZ3 TRP 48 4.335 -6.803 -8.107 387 HH2 TRP 48 HH2 TRP 48 6.543 -6.936 -7.081 388 H ASN 49 HN ASN 49 -0.897 -9.006 -6.271 389 HA ASN 49 HA ASN 49 -3.500 -8.999 -5.189 390 HB2 ASN 49 HB2 ASN 49 -3.014 -7.598 -7.087 391 HB3 ASN 49 HB1 ASN 49 -2.638 -9.000 -8.085 392 HD21 ASN 49 HD21 ASN 49 -5.162 -7.144 -6.587 393 HD22 ASN 49 HD22 ASN 49 -6.457 -7.775 -7.515 394 H VAL 50 HN VAL 50 -4.470 -10.621 -4.475 395 HA VAL 50 HA VAL 50 -4.230 -13.156 -5.845 396 HB VAL 50 HB VAL 50 -5.407 -14.198 -3.862 397 HG11 VAL 50 HG11 VAL 50 -2.830 -12.728 -3.330 398 HG12 VAL 50 HG12 VAL 50 -2.992 -14.291 -4.130 399 HG13 VAL 50 HG13 VAL 50 -3.426 -14.121 -2.427 400 HG21 VAL 50 HG21 VAL 50 -4.913 -11.486 -2.612 401 HG22 VAL 50 HG22 VAL 50 -5.445 -12.934 -1.755 402 HG23 VAL 50 HG23 VAL 50 -6.494 -12.187 -2.958 403 H ARG 51 HN ARG 51 -6.936 -11.262 -4.536 404 HA ARG 51 HA ARG 51 -8.694 -12.870 -6.286 405 HB2 ARG 51 HB2 ARG 51 -9.365 -11.263 -3.832 406 HB3 ARG 51 HB1 ARG 51 -10.517 -12.155 -4.801 407 HG2 ARG 51 HG2 ARG 51 -9.503 -14.241 -4.190 408 HG3 ARG 51 HG1 ARG 51 -8.196 -13.411 -3.345 409 HD2 ARG 51 HD2 ARG 51 -9.904 -14.238 -1.779 410 HD3 ARG 51 HD1 ARG 51 -9.784 -12.478 -1.761 411 HE ARG 51 HE ARG 51 -11.809 -13.808 -3.386 412 HH11 ARG 51 HH11 ARG 51 -11.059 -11.727 -0.607 413 HH12 ARG 51 HH12 ARG 51 -12.618 -11.065 -0.489 414 HH21 ARG 51 HH21 ARG 51 -14.014 -12.931 -3.167 415 HH22 ARG 51 HH22 ARG 51 -14.333 -11.805 -1.920 416 H TYR 52 HN TYR 52 -8.493 -9.620 -4.998 417 HA TYR 52 HA TYR 52 -9.152 -8.405 -7.551 418 HB2 TYR 52 HB2 TYR 52 -10.944 -7.983 -5.123 419 HB3 TYR 52 HB1 TYR 52 -11.025 -7.070 -6.614 420 HD1 TYR 52 HD1 TYR 52 -11.777 -8.295 -8.715 421 HD2 TYR 52 HD2 TYR 52 -12.148 -9.960 -4.815 422 HE1 TYR 52 HE1 TYR 52 -13.474 -9.860 -9.548 423 HE2 TYR 52 HE2 TYR 52 -13.839 -11.533 -5.640 424 HH TYR 52 HH TYR 52 -15.449 -11.613 -7.487 425 H ASP 53 HN ASP 53 -8.981 -8.151 -4.114 426 HA ASP 53 HA ASP 53 -7.928 -6.958 -2.676 427 HB2 ASP 53 HB2 ASP 53 -5.952 -6.657 -4.907 428 HB3 ASP 53 HB1 ASP 53 -5.666 -5.928 -3.322 429 H GLU 54 HN GLU 54 -6.565 -4.413 -2.786 430 HA GLU 54 HA GLU 54 -9.015 -2.934 -3.343 431 HB2 GLU 54 HB2 GLU 54 -8.892 -3.713 -0.950 432 HB3 GLU 54 HB1 GLU 54 -7.450 -2.744 -0.760 433 HG2 GLU 54 HG2 GLU 54 -8.678 -0.724 -1.036 434 HG3 GLU 54 HG1 GLU 54 -10.121 -1.612 -1.534 435 H TRP 55 HN TRP 55 -8.878 -0.839 -3.708 436 HA TRP 55 HA TRP 55 -6.306 0.033 -4.761 437 HB2 TRP 55 HB2 TRP 55 -9.114 0.908 -5.300 438 HB3 TRP 55 HB1 TRP 55 -7.693 1.636 -6.034 439 HD1 TRP 55 HD1 TRP 55 -9.684 -1.657 -6.050 440 HE1 TRP 55 HE1 TRP 55 -9.097 -2.949 -8.189 441 HE3 TRP 55 HE3 TRP 55 -5.936 1.338 -7.810 442 HZ2 TRP 55 HZ2 TRP 55 -7.273 -2.740 -10.343 443 HZ3 TRP 55 HZ3 TRP 55 -4.812 0.718 -9.897 444 HH2 TRP 55 HH2 TRP 55 -5.466 -1.278 -11.146 445 H VAL 56 HN VAL 56 -5.302 1.544 -3.789 446 HA VAL 56 HA VAL 56 -6.785 3.356 -2.040 447 HB VAL 56 HB VAL 56 -4.872 3.406 -0.494 448 HG11 VAL 56 HG11 VAL 56 -5.033 1.049 0.362 449 HG12 VAL 56 HG12 VAL 56 -5.948 0.657 -1.091 450 HG13 VAL 56 HG13 VAL 56 -6.582 1.837 0.054 451 HG21 VAL 56 HG21 VAL 56 -3.000 1.832 -0.705 452 HG22 VAL 56 HG22 VAL 56 -3.085 2.901 -2.101 453 HG23 VAL 56 HG23 VAL 56 -3.665 1.240 -2.231 454 H LYS 57 HN LYS 57 -6.120 5.479 -2.087 455 HA LYS 57 HA LYS 57 -4.818 6.294 -4.527 456 HB2 LYS 57 HB2 LYS 57 -6.837 7.396 -3.545 457 HB3 LYS 57 HB1 LYS 57 -5.860 7.897 -2.181 458 HG2 LYS 57 HG2 LYS 57 -4.494 9.253 -3.681 459 HG3 LYS 57 HG1 LYS 57 -5.516 8.784 -5.043 460 HD2 LYS 57 HD2 LYS 57 -7.469 9.755 -3.890 461 HD3 LYS 57 HD1 LYS 57 -6.442 10.215 -2.537 462 HE2 LYS 57 HE2 LYS 57 -5.160 11.675 -4.044 463 HE3 LYS 57 HE1 LYS 57 -6.238 11.231 -5.368 464 HZ1 LYS 57 HZ1 LYS 57 -8.085 12.182 -4.091 465 HZ2 LYS 57 HZ2 LYS 57 -6.902 13.331 -4.413 466 HZ3 LYS 57 HZ3 LYS 57 -7.012 12.645 -2.876 467 H ALA 58 HN ALA 58 -2.927 7.775 -4.491 468 HA ALA 58 HA ALA 58 -0.789 6.846 -2.942 469 HB1 ALA 58 HB1 ALA 58 0.525 8.596 -3.880 470 HB2 ALA 58 HB2 ALA 58 -0.886 9.600 -4.122 471 HB3 ALA 58 HB3 ALA 58 -0.666 8.164 -5.120 472 H ASP 59 HN ASP 59 -2.971 9.447 -2.404 473 HA ASP 59 HA ASP 59 -1.843 10.811 -0.211 474 HB2 ASP 59 HB2 ASP 59 -3.707 11.721 -1.420 475 HB3 ASP 59 HB1 ASP 59 -4.697 10.319 -1.062 476 H ARG 60 HN ARG 60 -3.342 7.730 -0.424 477 HA ARG 60 HA ARG 60 -4.173 7.585 2.352 478 HB2 ARG 60 HB2 ARG 60 -5.102 6.569 -0.032 479 HB3 ARG 60 HB1 ARG 60 -4.305 5.189 0.697 480 HG2 ARG 60 HG2 ARG 60 -6.708 5.298 1.196 481 HG3 ARG 60 HG1 ARG 60 -5.701 5.365 2.642 482 HD2 ARG 60 HD2 ARG 60 -6.026 7.597 2.959 483 HD3 ARG 60 HD1 ARG 60 -6.580 7.895 1.296 484 HE ARG 60 HE ARG 60 -8.369 6.200 2.482 485 HH11 ARG 60 HH11 ARG 60 -7.053 9.386 3.179 486 HH12 ARG 60 HH12 ARG 60 -8.488 10.054 3.789 487 HH21 ARG 60 HH21 ARG 60 -10.471 7.148 3.269 488 HH22 ARG 60 HH22 ARG 60 -10.472 8.722 3.875 489 H ILE 61 HN ILE 61 -1.302 7.146 0.724 490 HA ILE 61 HA ILE 61 -0.640 4.706 2.180 491 HB ILE 61 HB ILE 61 0.667 5.894 -0.278 492 HG12 ILE 61 HG12 ILE 61 -1.266 3.595 0.037 493 HG13 ILE 61 HG11 ILE 61 -1.554 5.109 -0.805 494 HG21 ILE 61 HG21 ILE 61 2.196 4.566 1.093 495 HG22 ILE 61 HG22 ILE 61 1.817 3.759 -0.437 496 HG23 ILE 61 HG23 ILE 61 1.035 3.231 1.056 497 HD11 ILE 61 HD11 ILE 61 0.154 4.509 -2.452 498 HD12 ILE 61 HD12 ILE 61 -1.136 3.306 -2.356 499 HD13 ILE 61 HD13 ILE 61 0.415 2.990 -1.589 500 H ILE 62 HN ILE 62 1.185 4.570 3.337 501 HA ILE 62 HA ILE 62 2.673 7.006 4.002 502 HB ILE 62 HB ILE 62 2.429 4.340 5.467 503 HG12 ILE 62 HG12 ILE 62 1.463 5.551 7.337 504 HG13 ILE 62 HG11 ILE 62 1.465 7.068 6.441 505 HG21 ILE 62 HG21 ILE 62 4.658 5.182 5.747 506 HG22 ILE 62 HG22 ILE 62 3.783 5.330 7.269 507 HG23 ILE 62 HG23 ILE 62 4.041 6.754 6.258 508 HD11 ILE 62 HD11 ILE 62 -0.195 6.021 4.901 509 HD12 ILE 62 HD12 ILE 62 -0.753 6.134 6.570 510 HD13 ILE 62 HD13 ILE 62 -0.186 4.590 5.931 511 H TRP 63 HN TRP 63 4.428 7.052 2.732 512 HA TRP 63 HA TRP 63 5.683 4.579 1.873 513 HB2 TRP 63 HB2 TRP 63 6.117 7.453 1.043 514 HB3 TRP 63 HB1 TRP 63 7.046 6.093 0.423 515 HD1 TRP 63 HD1 TRP 63 3.687 7.810 0.105 516 HE1 TRP 63 HE1 TRP 63 2.397 6.766 -1.844 517 HE3 TRP 63 HE3 TRP 63 6.774 3.873 -0.853 518 HZ2 TRP 63 HZ2 TRP 63 2.656 4.532 -3.562 519 HZ3 TRP 63 HZ3 TRP 63 6.185 2.318 -2.673 520 HH2 TRP 63 HH2 TRP 63 4.173 2.635 -3.988 521 HA PRO 64 HA PRO 64 8.770 5.404 5.044 522 HB2 PRO 64 HB2 PRO 64 10.181 3.111 3.850 523 HB3 PRO 64 HB1 PRO 64 9.574 3.293 5.500 524 HG2 PRO 64 HG2 PRO 64 8.416 1.584 3.784 525 HG3 PRO 64 HG1 PRO 64 7.478 2.532 4.963 526 HD2 PRO 64 HD2 PRO 64 7.881 3.060 2.033 527 HD3 PRO 64 HD1 PRO 64 6.386 3.113 3.003 528 H LEU 65 HN LEU 65 10.047 6.936 4.693 529 HA LEU 65 HA LEU 65 12.258 7.172 3.042 530 HB2 LEU 65 HB2 LEU 65 10.307 6.944 1.329 531 HB3 LEU 65 HB1 LEU 65 9.814 8.518 1.889 532 HG LEU 65 HG LEU 65 12.446 7.920 0.535 533 HD11 LEU 65 HD11 LEU 65 10.538 7.510 -0.893 534 HD12 LEU 65 HD12 LEU 65 11.403 8.968 -1.410 535 HD13 LEU 65 HD13 LEU 65 9.888 9.101 -0.506 536 HD21 LEU 65 HD21 LEU 65 12.554 10.356 0.258 537 HD22 LEU 65 HD22 LEU 65 12.490 9.890 1.966 538 HD23 LEU 65 HD23 LEU 65 11.045 10.508 1.174 539 H ASP 66 HN ASP 66 12.909 8.122 4.940 540 HA ASP 66 HA ASP 66 13.356 9.821 6.409 541 HB2 ASP 66 HB2 ASP 66 12.419 11.250 3.980 542 HB3 ASP 66 HB1 ASP 66 12.909 12.184 5.406 543 H LYS 67 HN LYS 67 10.810 8.606 6.738 544 HA LYS 67 HA LYS 67 8.900 10.665 7.226 545 HB2 LYS 67 HB2 LYS 67 8.171 8.416 6.572 546 HB3 LYS 67 HB1 LYS 67 8.889 7.747 8.017 547 HG2 LYS 67 HG2 LYS 67 6.557 7.769 8.385 548 HG3 LYS 67 HG1 LYS 67 7.208 9.081 9.349 549 HD2 LYS 67 HD2 LYS 67 6.049 9.562 6.600 550 HD3 LYS 67 HD1 LYS 67 5.021 9.469 8.020 551 HE2 LYS 67 HE2 LYS 67 6.233 11.366 9.012 552 HE3 LYS 67 HE1 LYS 67 7.273 11.463 7.598 553 HZ1 LYS 67 HZ1 LYS 67 5.321 11.930 6.252 554 HZ2 LYS 67 HZ2 LYS 67 5.487 13.068 7.486 555 HZ3 LYS 67 HZ3 LYS 67 4.339 11.861 7.623 556 H GLY 68 HN GLY 68 10.512 8.344 9.337 557 HA2 GLY 68 HA2 GLY 68 11.414 8.562 11.448 558 HA3 GLY 68 HA1 GLY 68 11.127 10.297 11.339 559 H LEU 69 HN LEU 69 8.911 10.966 11.532 560 HA LEU 69 HA LEU 69 7.545 9.327 13.434 561 HB2 LEU 69 HB2 LEU 69 6.493 11.644 14.198 562 HB3 LEU 69 HB1 LEU 69 7.980 11.025 14.853 563 HG LEU 69 HG LEU 69 8.004 13.460 14.469 564 HD11 LEU 69 HD11 LEU 69 10.087 12.402 14.584 565 HD12 LEU 69 HD12 LEU 69 10.182 13.578 13.258 566 HD13 LEU 69 HD13 LEU 69 9.966 11.850 12.924 567 HD21 LEU 69 HD21 LEU 69 8.225 14.361 12.179 568 HD22 LEU 69 HD22 LEU 69 6.642 13.645 12.475 569 HD23 LEU 69 HD23 LEU 69 7.842 12.758 11.542 570 H GLU 70 HN GLU 70 5.626 8.599 12.873 571 HA GLU 70 HA GLU 70 4.442 9.571 10.408 572 HB2 GLU 70 HB2 GLU 70 3.575 7.408 12.308 573 HB3 GLU 70 HB1 GLU 70 2.761 7.801 10.810 574 HG2 GLU 70 HG2 GLU 70 4.771 7.185 9.573 575 HG3 GLU 70 HG1 GLU 70 5.556 6.756 11.100 576 H HIS 71 HN HIS 71 3.334 9.025 13.686 577 HA HIS 71 HA HIS 71 1.120 10.806 13.141 578 HB2 HIS 71 HB2 HIS 71 1.419 8.870 15.460 579 HB3 HIS 71 HB1 HIS 71 -0.025 9.788 15.048 580 HD1 HIS 71 HD1 HIS 71 1.225 6.491 14.742 581 HD2 HIS 71 HD2 HIS 71 -0.776 9.050 12.155 582 HE1 HIS 71 HE1 HIS 71 0.317 5.040 12.932 583 HE2 HIS 71 HE2 HIS 71 -0.448 6.685 11.229 584 H HIS 72 HN HIS 72 2.566 12.560 13.278 585 HA HIS 72 HA HIS 72 3.561 13.145 15.957 586 HB2 HIS 72 HB2 HIS 72 5.097 13.426 13.989 587 HB3 HIS 72 HB1 HIS 72 4.036 14.690 13.393 588 HD1 HIS 72 HD1 HIS 72 6.668 14.000 15.966 589 HD2 HIS 72 HD2 HIS 72 4.247 17.167 14.801 590 HE1 HIS 72 HE1 HIS 72 7.595 15.996 17.108 591 HE2 HIS 72 HE2 HIS 72 6.283 17.921 16.208 592 H HIS 73 HN HIS 73 1.122 14.069 13.675 593 HA HIS 73 HA HIS 73 0.607 16.484 15.123 594 HB2 HIS 73 HB2 HIS 73 -1.183 17.000 13.546 595 HB3 HIS 73 HB1 HIS 73 0.267 16.549 12.684 596 HD1 HIS 73 HD1 HIS 73 -0.050 14.797 10.865 597 HD2 HIS 73 HD2 HIS 73 -3.278 14.966 13.476 598 HE1 HIS 73 HE1 HIS 73 -1.878 13.445 9.800 599 HE2 HIS 73 HE2 HIS 73 -3.863 13.793 11.275 600 H HIS 74 HN HIS 74 -0.263 16.477 16.969 601 HA HIS 74 HA HIS 74 -2.429 14.560 17.485 602 HB2 HIS 74 HB2 HIS 74 -0.752 16.129 19.459 603 HB3 HIS 74 HB1 HIS 74 -2.075 15.058 19.902 604 HD1 HIS 74 HD1 HIS 74 1.489 15.043 19.501 605 HD2 HIS 74 HD2 HIS 74 -1.559 12.291 18.909 606 HE1 HIS 74 HE1 HIS 74 2.616 12.805 19.342 607 HE2 HIS 74 HE2 HIS 74 0.778 11.214 18.747 608 H HIS 75 HN HIS 75 -2.052 17.411 16.346 609 HA HIS 75 HA HIS 75 -4.041 18.930 17.743 610 HB2 HIS 75 HB2 HIS 75 -2.205 20.055 16.512 611 HB3 HIS 75 HB1 HIS 75 -2.765 19.332 15.015 612 HD1 HIS 75 HD1 HIS 75 -3.612 22.034 17.488 613 HD2 HIS 75 HD2 HIS 75 -4.917 20.632 13.806 614 HE1 HIS 75 HE1 HIS 75 -5.166 23.792 16.608 615 HE2 HIS 75 HE2 HIS 75 -6.159 22.749 14.542 616 H HIS 76 HN HIS 76 -5.953 18.000 17.755 617 HA HIS 76 HA HIS 76 -7.630 17.943 15.551 618 HB2 HIS 76 HB2 HIS 76 -6.425 15.860 14.920 619 HB3 HIS 76 HB1 HIS 76 -6.742 15.192 16.517 620 HD1 HIS 76 HD1 HIS 76 -8.748 13.734 16.642 621 HD2 HIS 76 HD2 HIS 76 -8.996 16.410 13.481 622 HE1 HIS 76 HE1 HIS 76 -10.850 13.142 15.432 623 HE2 HIS 76 HE2 HIS 76 -11.149 15.082 13.885 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 1.507 1.561 -23.024 2 H2 GLU 1 HT2 GLU 1 2.786 2.694 -23.045 3 H3 GLU 1 HT3 GLU 1 1.266 3.108 -22.434 4 HA GLU 1 HA GLU 1 2.917 1.030 -21.245 5 HB2 GLU 1 HB2 GLU 1 2.787 3.975 -20.737 6 HB3 GLU 1 HB1 GLU 1 3.042 2.885 -19.388 7 HG2 GLU 1 HG2 GLU 1 5.107 3.890 -20.414 8 HG3 GLU 1 HG1 GLU 1 5.102 2.143 -20.232 9 H ASP 2 HN ASP 2 1.349 -0.322 -20.660 10 HA ASP 2 HA ASP 2 -1.087 0.598 -19.405 11 HB2 ASP 2 HB2 ASP 2 -0.992 -1.559 -20.687 12 HB3 ASP 2 HB1 ASP 2 0.118 -2.198 -19.487 13 H MET 3 HN MET 3 1.640 -1.408 -18.421 14 HA MET 3 HA MET 3 2.753 -0.076 -16.412 15 HB2 MET 3 HB2 MET 3 0.581 -0.124 -15.141 16 HB3 MET 3 HB1 MET 3 0.651 -1.882 -15.180 17 HG2 MET 3 HG2 MET 3 2.806 -1.796 -13.976 18 HG3 MET 3 HG1 MET 3 2.640 -0.051 -13.863 19 HE1 MET 3 HE1 MET 3 3.210 -1.904 -11.394 20 HE2 MET 3 HE2 MET 3 2.140 -1.142 -10.208 21 HE3 MET 3 HE3 MET 3 3.044 -0.153 -11.351 22 H GLU 4 HN GLU 4 4.516 -1.120 -16.006 23 HA GLU 4 HA GLU 4 4.586 -4.033 -16.212 24 HB2 GLU 4 HB2 GLU 4 6.724 -1.920 -16.670 25 HB3 GLU 4 HB1 GLU 4 7.026 -3.657 -16.705 26 HG2 GLU 4 HG2 GLU 4 5.710 -3.962 -18.623 27 HG3 GLU 4 HG1 GLU 4 4.990 -2.364 -18.479 28 HA PRO 5 HA PRO 5 5.431 -4.299 -11.885 29 HB2 PRO 5 HB2 PRO 5 8.151 -5.379 -12.469 30 HB3 PRO 5 HB1 PRO 5 6.895 -6.016 -11.393 31 HG2 PRO 5 HG2 PRO 5 7.306 -7.142 -13.763 32 HG3 PRO 5 HG1 PRO 5 5.658 -6.905 -13.153 33 HD2 PRO 5 HD2 PRO 5 7.138 -5.372 -15.247 34 HD3 PRO 5 HD1 PRO 5 5.421 -5.802 -15.161 35 H CYS 6 HN CYS 6 5.579 -2.214 -11.247 36 HA CYS 6 HA CYS 6 8.207 -1.197 -10.621 37 HB2 CYS 6 HB2 CYS 6 7.361 -0.190 -12.827 38 HB3 CYS 6 HB1 CYS 6 6.039 0.503 -11.904 39 HG CYS 6 HG CYS 6 8.138 2.306 -12.619 40 H LEU 7 HN LEU 7 8.120 -0.270 -8.615 41 HA LEU 7 HA LEU 7 7.437 0.141 -6.523 42 HB2 LEU 7 HB2 LEU 7 4.673 0.581 -7.710 43 HB3 LEU 7 HB1 LEU 7 5.039 0.797 -6.020 44 HG LEU 7 HG LEU 7 4.948 2.936 -6.876 45 HD11 LEU 7 HD11 LEU 7 7.859 2.261 -6.845 46 HD12 LEU 7 HD12 LEU 7 6.842 2.692 -5.472 47 HD13 LEU 7 HD13 LEU 7 7.168 3.879 -6.732 48 HD21 LEU 7 HD21 LEU 7 4.901 2.490 -9.237 49 HD22 LEU 7 HD22 LEU 7 6.616 2.065 -9.230 50 HD23 LEU 7 HD23 LEU 7 6.113 3.725 -8.904 51 H THR 8 HN THR 8 6.354 -2.409 -8.281 52 HA THR 8 HA THR 8 4.606 -3.738 -6.589 53 HB THR 8 HB THR 8 5.425 -5.741 -7.986 54 HG1 THR 8 HG1 THR 8 7.433 -4.796 -8.571 55 HG21 THR 8 HG21 THR 8 4.207 -4.929 -9.962 56 HG22 THR 8 HG22 THR 8 4.332 -3.277 -9.361 57 HG23 THR 8 HG23 THR 8 3.377 -4.465 -8.478 58 H GLY 9 HN GLY 9 4.894 -4.975 -4.885 59 HA2 GLY 9 HA2 GLY 9 6.022 -6.505 -3.501 60 HA3 GLY 9 HA1 GLY 9 7.527 -6.099 -4.313 61 H THR 10 HN THR 10 6.451 -3.167 -3.852 62 HA THR 10 HA THR 10 8.024 -2.744 -1.532 63 HB THR 10 HB THR 10 6.083 -0.806 -2.782 64 HG1 THR 10 HG1 THR 10 7.449 -1.245 -4.408 65 HG21 THR 10 HG21 THR 10 6.922 -0.124 -0.589 66 HG22 THR 10 HG22 THR 10 7.616 0.904 -1.846 67 HG23 THR 10 HG23 THR 10 8.581 -0.381 -1.126 68 H LYS 11 HN LYS 11 7.438 -2.916 0.404 69 HA LYS 11 HA LYS 11 4.671 -3.474 1.082 70 HB2 LYS 11 HB2 LYS 11 7.162 -3.677 2.791 71 HB3 LYS 11 HB1 LYS 11 5.570 -4.353 3.138 72 HG2 LYS 11 HG2 LYS 11 5.734 -5.889 1.317 73 HG3 LYS 11 HG1 LYS 11 7.219 -5.139 0.749 74 HD2 LYS 11 HD2 LYS 11 7.762 -7.180 1.863 75 HD3 LYS 11 HD1 LYS 11 8.313 -5.846 2.863 76 HE2 LYS 11 HE2 LYS 11 6.405 -6.079 4.309 77 HE3 LYS 11 HE1 LYS 11 5.728 -7.328 3.267 78 HZ1 LYS 11 HZ1 LYS 11 7.623 -8.738 3.794 79 HZ2 LYS 11 HZ2 LYS 11 6.841 -8.263 5.198 80 HZ3 LYS 11 HZ3 LYS 11 8.288 -7.530 4.768 81 H VAL 12 HN VAL 12 3.544 -1.754 1.505 82 HA VAL 12 HA VAL 12 4.841 0.523 2.817 83 HB VAL 12 HB VAL 12 3.146 1.945 1.745 84 HG11 VAL 12 HG11 VAL 12 5.296 1.629 0.649 85 HG12 VAL 12 HG12 VAL 12 4.008 1.822 -0.539 86 HG13 VAL 12 HG13 VAL 12 4.666 0.221 -0.204 87 HG21 VAL 12 HG21 VAL 12 1.697 1.061 -0.016 88 HG22 VAL 12 HG22 VAL 12 1.370 0.267 1.526 89 HG23 VAL 12 HG23 VAL 12 2.307 -0.566 0.289 90 H LYS 13 HN LYS 13 3.022 1.961 3.748 91 HA LYS 13 HA LYS 13 1.325 0.306 5.455 92 HB2 LYS 13 HB2 LYS 13 3.156 2.410 5.950 93 HB3 LYS 13 HB1 LYS 13 1.548 3.053 6.219 94 HG2 LYS 13 HG2 LYS 13 2.617 0.568 7.458 95 HG3 LYS 13 HG1 LYS 13 2.613 2.165 8.259 96 HD2 LYS 13 HD2 LYS 13 0.072 2.029 7.756 97 HD3 LYS 13 HD1 LYS 13 0.374 0.300 7.552 98 HE2 LYS 13 HE2 LYS 13 0.827 2.005 9.972 99 HE3 LYS 13 HE1 LYS 13 -0.276 0.649 9.813 100 HZ1 LYS 13 HZ1 LYS 13 1.657 0.003 11.056 101 HZ2 LYS 13 HZ2 LYS 13 2.693 0.477 9.831 102 HZ3 LYS 13 HZ3 LYS 13 1.648 -0.840 9.610 103 H VAL 14 HN VAL 14 -0.884 0.879 5.466 104 HA VAL 14 HA VAL 14 -1.659 2.938 3.563 105 HB VAL 14 HB VAL 14 -2.853 0.158 3.852 106 HG11 VAL 14 HG11 VAL 14 -4.574 1.902 3.528 107 HG12 VAL 14 HG12 VAL 14 -4.458 0.761 2.199 108 HG13 VAL 14 HG13 VAL 14 -3.766 2.382 2.026 109 HG21 VAL 14 HG21 VAL 14 -2.240 -0.132 1.507 110 HG22 VAL 14 HG22 VAL 14 -0.818 0.214 2.488 111 HG23 VAL 14 HG23 VAL 14 -1.518 1.474 1.473 112 H LYS 15 HN LYS 15 -3.109 4.241 4.306 113 HA LYS 15 HA LYS 15 -4.469 3.695 6.852 114 HB2 LYS 15 HB2 LYS 15 -2.611 5.214 7.128 115 HB3 LYS 15 HB1 LYS 15 -3.146 6.199 5.769 116 HG2 LYS 15 HG2 LYS 15 -4.995 6.985 7.094 117 HG3 LYS 15 HG1 LYS 15 -4.566 5.892 8.416 118 HD2 LYS 15 HD2 LYS 15 -2.364 6.975 8.589 119 HD3 LYS 15 HD1 LYS 15 -2.809 8.072 7.291 120 HE2 LYS 15 HE2 LYS 15 -4.537 9.048 8.656 121 HE3 LYS 15 HE1 LYS 15 -4.236 7.863 9.932 122 HZ1 LYS 15 HZ1 LYS 15 -2.269 9.876 8.975 123 HZ2 LYS 15 HZ2 LYS 15 -2.048 8.775 10.238 124 HZ3 LYS 15 HZ3 LYS 15 -3.172 9.997 10.389 125 H TYR 16 HN TYR 16 -6.521 3.370 6.212 126 HA TYR 16 HA TYR 16 -7.704 5.027 4.120 127 HB2 TYR 16 HB2 TYR 16 -6.493 2.832 3.372 128 HB3 TYR 16 HB1 TYR 16 -7.836 2.020 4.139 129 HD1 TYR 16 HD1 TYR 16 -7.267 4.757 1.692 130 HD2 TYR 16 HD2 TYR 16 -9.472 1.308 2.724 131 HE1 TYR 16 HE1 TYR 16 -8.409 4.853 -0.502 132 HE2 TYR 16 HE2 TYR 16 -10.643 1.399 0.527 133 HH TYR 16 HH TYR 16 -9.521 3.134 -1.992 134 H GLY 17 HN GLY 17 -9.353 5.836 5.468 135 HA2 GLY 17 HA2 GLY 17 -11.397 4.167 6.297 136 HA3 GLY 17 HA1 GLY 17 -10.344 4.443 7.671 137 H ARG 18 HN ARG 18 -12.803 5.233 7.994 138 HA ARG 18 HA ARG 18 -12.728 8.131 7.605 139 HB2 ARG 18 HB2 ARG 18 -15.253 8.137 7.734 140 HB3 ARG 18 HB1 ARG 18 -14.590 7.424 6.279 141 HG2 ARG 18 HG2 ARG 18 -15.275 5.589 8.532 142 HG3 ARG 18 HG1 ARG 18 -16.599 6.301 7.604 143 HD2 ARG 18 HD2 ARG 18 -14.268 4.851 6.395 144 HD3 ARG 18 HD1 ARG 18 -15.789 4.055 6.831 145 HE ARG 18 HE ARG 18 -16.455 6.204 5.265 146 HH11 ARG 18 HH11 ARG 18 -14.406 3.357 4.792 147 HH12 ARG 18 HH12 ARG 18 -14.814 3.150 3.162 148 HH21 ARG 18 HH21 ARG 18 -17.037 5.927 3.024 149 HH22 ARG 18 HH22 ARG 18 -16.350 4.677 2.113 150 H GLY 19 HN GLY 19 -12.084 8.998 9.438 151 HA2 GLY 19 HA2 GLY 19 -12.118 9.717 11.587 152 HA3 GLY 19 HA1 GLY 19 -13.766 9.128 11.661 153 H LYS 20 HN LYS 20 -14.162 7.627 13.048 154 HA LYS 20 HA LYS 20 -12.092 6.407 14.616 155 HB2 LYS 20 HB2 LYS 20 -14.241 7.146 15.576 156 HB3 LYS 20 HB1 LYS 20 -15.068 5.983 14.562 157 HG2 LYS 20 HG2 LYS 20 -14.015 4.146 15.747 158 HG3 LYS 20 HG1 LYS 20 -13.106 5.289 16.735 159 HD2 LYS 20 HD2 LYS 20 -15.065 4.426 17.923 160 HD3 LYS 20 HD1 LYS 20 -15.181 6.165 17.662 161 HE2 LYS 20 HE2 LYS 20 -16.667 5.787 15.754 162 HE3 LYS 20 HE1 LYS 20 -16.530 4.045 15.979 163 HZ1 LYS 20 HZ1 LYS 20 -18.550 4.863 16.932 164 HZ2 LYS 20 HZ2 LYS 20 -17.730 6.009 17.842 165 HZ3 LYS 20 HZ3 LYS 20 -17.543 4.375 18.194 166 H THR 21 HN THR 21 -14.149 5.507 11.992 167 HA THR 21 HA THR 21 -13.431 2.706 12.106 168 HB THR 21 HB THR 21 -15.064 4.305 10.098 169 HG1 THR 21 HG1 THR 21 -15.678 2.938 12.495 170 HG21 THR 21 HG21 THR 21 -14.235 2.136 9.225 171 HG22 THR 21 HG22 THR 21 -15.982 2.184 9.386 172 HG23 THR 21 HG23 THR 21 -15.010 1.302 10.580 173 H GLN 22 HN GLN 22 -11.258 3.750 12.079 174 HA GLN 22 HA GLN 22 -10.140 4.511 9.498 175 HB2 GLN 22 HB2 GLN 22 -9.804 5.933 11.435 176 HB3 GLN 22 HB1 GLN 22 -9.129 4.592 12.337 177 HG2 GLN 22 HG2 GLN 22 -7.359 6.023 11.666 178 HG3 GLN 22 HG1 GLN 22 -7.252 4.544 10.718 179 HE21 GLN 22 HE21 GLN 22 -6.318 7.306 10.300 180 HE22 GLN 22 HE22 GLN 22 -6.890 7.725 8.707 181 H LYS 23 HN LYS 23 -8.937 2.911 8.379 182 HA LYS 23 HA LYS 23 -7.932 0.754 10.075 183 HB2 LYS 23 HB2 LYS 23 -8.662 0.562 7.154 184 HB3 LYS 23 HB1 LYS 23 -7.945 -0.723 8.099 185 HG2 LYS 23 HG2 LYS 23 -10.039 -1.440 8.404 186 HG3 LYS 23 HG1 LYS 23 -10.182 -0.112 9.550 187 HD2 LYS 23 HD2 LYS 23 -12.062 -0.051 8.031 188 HD3 LYS 23 HD1 LYS 23 -11.008 1.330 7.712 189 HE2 LYS 23 HE2 LYS 23 -10.061 0.226 5.774 190 HE3 LYS 23 HE1 LYS 23 -10.929 -1.257 6.150 191 HZ1 LYS 23 HZ1 LYS 23 -12.999 -0.052 5.747 192 HZ2 LYS 23 HZ2 LYS 23 -11.995 -0.076 4.399 193 HZ3 LYS 23 HZ3 LYS 23 -12.122 1.329 5.309 194 H ILE 24 HN ILE 24 -5.863 1.079 10.422 195 HA ILE 24 HA ILE 24 -4.270 1.933 8.133 196 HB ILE 24 HB ILE 24 -3.349 1.839 11.021 197 HG12 ILE 24 HG12 ILE 24 -4.356 4.273 9.559 198 HG13 ILE 24 HG11 ILE 24 -5.395 3.323 10.618 199 HG21 ILE 24 HG21 ILE 24 -1.620 3.360 10.176 200 HG22 ILE 24 HG22 ILE 24 -2.443 3.445 8.619 201 HG23 ILE 24 HG23 ILE 24 -1.691 1.948 9.108 202 HD11 ILE 24 HD11 ILE 24 -2.856 4.726 11.428 203 HD12 ILE 24 HD12 ILE 24 -3.915 3.759 12.464 204 HD13 ILE 24 HD13 ILE 24 -4.508 5.268 11.765 205 H TYR 25 HN TYR 25 -3.601 0.248 7.125 206 HA TYR 25 HA TYR 25 -2.565 -2.028 8.585 207 HB2 TYR 25 HB2 TYR 25 -3.570 -3.412 6.507 208 HB3 TYR 25 HB1 TYR 25 -4.432 -3.172 8.006 209 HD1 TYR 25 HD1 TYR 25 -4.240 -0.417 5.457 210 HD2 TYR 25 HD2 TYR 25 -6.541 -3.667 6.986 211 HE1 TYR 25 HE1 TYR 25 -6.225 0.356 4.162 212 HE2 TYR 25 HE2 TYR 25 -8.488 -2.901 5.709 213 HH TYR 25 HH TYR 25 -8.376 -0.805 3.201 214 H GLU 26 HN GLU 26 -1.234 -3.556 7.074 215 HA GLU 26 HA GLU 26 0.461 -1.715 5.555 216 HB2 GLU 26 HB2 GLU 26 1.137 -4.290 6.972 217 HB3 GLU 26 HB1 GLU 26 2.264 -3.377 5.984 218 HG2 GLU 26 HG2 GLU 26 2.021 -1.469 7.479 219 HG3 GLU 26 HG1 GLU 26 0.908 -2.402 8.475 220 H ALA 27 HN ALA 27 0.956 -2.229 3.444 221 HA ALA 27 HA ALA 27 -0.096 -4.739 2.348 222 HB1 ALA 27 HB1 ALA 27 -1.841 -3.042 2.100 223 HB2 ALA 27 HB2 ALA 27 -1.201 -3.582 0.550 224 HB3 ALA 27 HB3 ALA 27 -0.706 -2.021 1.216 225 H SER 28 HN SER 28 0.499 -4.890 0.002 226 HA SER 28 HA SER 28 3.091 -3.613 -0.511 227 HB2 SER 28 HB2 SER 28 2.191 -6.384 -1.302 228 HB3 SER 28 HB1 SER 28 3.755 -5.653 -1.684 229 HG SER 28 HG SER 28 3.048 -5.589 0.955 230 H ILE 29 HN ILE 29 3.315 -2.697 -2.493 231 HA ILE 29 HA ILE 29 0.946 -2.142 -3.967 232 HB ILE 29 HB ILE 29 3.774 -1.686 -4.959 233 HG12 ILE 29 HG12 ILE 29 3.669 -0.705 -2.724 234 HG13 ILE 29 HG11 ILE 29 3.660 0.572 -3.928 235 HG21 ILE 29 HG21 ILE 29 2.751 0.221 -6.178 236 HG22 ILE 29 HG22 ILE 29 1.177 -0.246 -5.551 237 HG23 ILE 29 HG23 ILE 29 2.047 -1.328 -6.633 238 HD11 ILE 29 HD11 ILE 29 2.135 1.103 -2.163 239 HD12 ILE 29 HD12 ILE 29 1.304 -0.439 -2.350 240 HD13 ILE 29 HD13 ILE 29 1.206 0.771 -3.625 241 H LYS 30 HN LYS 30 0.055 -3.277 -5.481 242 HA LYS 30 HA LYS 30 1.511 -5.518 -6.700 243 HB2 LYS 30 HB2 LYS 30 -0.526 -5.902 -5.216 244 HB3 LYS 30 HB1 LYS 30 -1.474 -5.073 -6.431 245 HG2 LYS 30 HG2 LYS 30 0.103 -7.576 -7.000 246 HG3 LYS 30 HG1 LYS 30 -1.560 -7.585 -6.429 247 HD2 LYS 30 HD2 LYS 30 -2.215 -6.296 -8.407 248 HD3 LYS 30 HD1 LYS 30 -0.527 -6.322 -8.936 249 HE2 LYS 30 HE2 LYS 30 -0.574 -8.715 -9.147 250 HE3 LYS 30 HE1 LYS 30 -2.190 -8.769 -8.435 251 HZ1 LYS 30 HZ1 LYS 30 -2.208 -8.974 -10.856 252 HZ2 LYS 30 HZ2 LYS 30 -1.529 -7.450 -11.003 253 HZ3 LYS 30 HZ3 LYS 30 -3.062 -7.626 -10.327 254 H SER 31 HN SER 31 -0.662 -2.785 -7.367 255 HA SER 31 HA SER 31 0.558 -2.478 -9.954 256 HB2 SER 31 HB2 SER 31 -2.461 -2.892 -9.739 257 HB3 SER 31 HB1 SER 31 -1.573 -2.482 -11.202 258 HG SER 31 HG SER 31 -0.381 -4.572 -10.230 259 H THR 32 HN THR 32 -0.261 -0.326 -10.975 260 HA THR 32 HA THR 32 -1.555 1.507 -9.131 261 HB THR 32 HB THR 32 0.912 2.521 -10.449 262 HG1 THR 32 HG1 THR 32 0.811 0.618 -8.390 263 HG21 THR 32 HG21 THR 32 -0.596 3.944 -9.202 264 HG22 THR 32 HG22 THR 32 1.025 3.876 -8.484 265 HG23 THR 32 HG23 THR 32 -0.290 2.966 -7.754 266 H GLU 33 HN GLU 33 -2.585 3.126 -10.352 267 HA GLU 33 HA GLU 33 -1.832 3.513 -13.085 268 HB2 GLU 33 HB2 GLU 33 -3.823 2.958 -14.136 269 HB3 GLU 33 HB1 GLU 33 -3.353 1.586 -13.096 270 HG2 GLU 33 HG2 GLU 33 -5.072 2.050 -11.553 271 HG3 GLU 33 HG1 GLU 33 -5.403 3.616 -12.289 272 H ILE 34 HN ILE 34 -3.232 5.154 -14.114 273 HA ILE 34 HA ILE 34 -3.923 7.149 -12.106 274 HB ILE 34 HB ILE 34 -3.069 7.477 -14.982 275 HG12 ILE 34 HG12 ILE 34 -1.167 8.823 -14.068 276 HG13 ILE 34 HG11 ILE 34 -1.732 8.454 -12.450 277 HG21 ILE 34 HG21 ILE 34 -3.935 9.620 -13.042 278 HG22 ILE 34 HG22 ILE 34 -4.789 9.108 -14.498 279 HG23 ILE 34 HG23 ILE 34 -3.234 9.928 -14.631 280 HD11 ILE 34 HD11 ILE 34 0.207 7.092 -13.056 281 HD12 ILE 34 HD12 ILE 34 -0.693 6.434 -14.442 282 HD13 ILE 34 HD13 ILE 34 -1.245 6.119 -12.802 283 H ASP 35 HN ASP 35 -5.946 7.484 -11.969 284 HA ASP 35 HA ASP 35 -7.714 7.082 -14.283 285 HB2 ASP 35 HB2 ASP 35 -7.989 5.103 -12.874 286 HB3 ASP 35 HB1 ASP 35 -8.310 6.128 -11.479 287 H ASP 36 HN ASP 36 -8.829 8.799 -14.667 288 HA ASP 36 HA ASP 36 -9.996 10.722 -14.475 289 HB2 ASP 36 HB2 ASP 36 -11.268 9.270 -12.799 290 HB3 ASP 36 HB1 ASP 36 -10.337 10.057 -11.532 291 H GLY 37 HN GLY 37 -7.128 10.499 -13.849 292 HA2 GLY 37 HA2 GLY 37 -5.582 12.262 -13.790 293 HA3 GLY 37 HA1 GLY 37 -6.809 13.276 -13.055 294 H GLU 38 HN GLU 38 -6.656 10.318 -11.409 295 HA GLU 38 HA GLU 38 -4.640 11.386 -9.579 296 HB2 GLU 38 HB2 GLU 38 -5.936 10.511 -7.697 297 HB3 GLU 38 HB1 GLU 38 -6.841 11.727 -8.586 298 HG2 GLU 38 HG2 GLU 38 -8.054 9.870 -9.733 299 HG3 GLU 38 HG1 GLU 38 -7.240 8.742 -8.655 300 H VAL 39 HN VAL 39 -3.545 9.708 -8.273 301 HA VAL 39 HA VAL 39 -3.255 7.334 -9.951 302 HB VAL 39 HB VAL 39 -1.342 8.132 -7.763 303 HG11 VAL 39 HG11 VAL 39 -1.149 5.823 -8.480 304 HG12 VAL 39 HG12 VAL 39 0.261 6.702 -9.046 305 HG13 VAL 39 HG13 VAL 39 -1.030 6.304 -10.160 306 HG21 VAL 39 HG21 VAL 39 0.092 9.151 -9.466 307 HG22 VAL 39 HG22 VAL 39 -1.464 9.984 -9.359 308 HG23 VAL 39 HG23 VAL 39 -1.153 8.857 -10.679 309 H LEU 40 HN LEU 40 -4.045 5.593 -9.407 310 HA LEU 40 HA LEU 40 -4.787 5.123 -6.625 311 HB2 LEU 40 HB2 LEU 40 -5.898 3.908 -9.147 312 HB3 LEU 40 HB1 LEU 40 -6.448 3.576 -7.518 313 HG LEU 40 HG LEU 40 -6.715 6.176 -9.011 314 HD11 LEU 40 HD11 LEU 40 -8.764 4.178 -8.091 315 HD12 LEU 40 HD12 LEU 40 -8.254 4.468 -9.753 316 HD13 LEU 40 HD13 LEU 40 -9.108 5.728 -8.856 317 HD21 LEU 40 HD21 LEU 40 -7.554 5.479 -6.190 318 HD22 LEU 40 HD22 LEU 40 -7.981 6.957 -7.055 319 HD23 LEU 40 HD23 LEU 40 -6.293 6.622 -6.666 320 H TYR 41 HN TYR 41 -4.139 3.360 -5.721 321 HA TYR 41 HA TYR 41 -2.126 1.738 -7.099 322 HB2 TYR 41 HB2 TYR 41 -2.399 2.536 -4.203 323 HB3 TYR 41 HB1 TYR 41 -1.301 1.293 -4.763 324 HD1 TYR 41 HD2 TYR 41 -2.104 4.906 -5.358 325 HD2 TYR 41 HD1 TYR 41 0.870 1.876 -5.242 326 HE1 TYR 41 HE2 TYR 41 -0.352 6.609 -5.690 327 HE2 TYR 41 HE1 TYR 41 2.618 3.563 -5.571 328 HH TYR 41 HH TYR 41 2.067 6.851 -5.191 329 H LEU 42 HN LEU 42 -2.292 -0.399 -6.929 330 HA LEU 42 HA LEU 42 -4.649 -1.496 -5.587 331 HB2 LEU 42 HB2 LEU 42 -4.523 -1.903 -8.024 332 HB3 LEU 42 HB1 LEU 42 -2.914 -2.570 -7.810 333 HG LEU 42 HG LEU 42 -3.838 -4.445 -6.554 334 HD11 LEU 42 HD11 LEU 42 -6.252 -4.797 -6.446 335 HD12 LEU 42 HD12 LEU 42 -6.515 -3.191 -7.131 336 HD13 LEU 42 HD13 LEU 42 -5.757 -3.363 -5.549 337 HD21 LEU 42 HD21 LEU 42 -5.023 -5.533 -8.413 338 HD22 LEU 42 HD22 LEU 42 -3.575 -4.695 -8.943 339 HD23 LEU 42 HD23 LEU 42 -5.163 -3.973 -9.224 340 H VAL 43 HN VAL 43 -4.097 -2.307 -3.716 341 HA VAL 43 HA VAL 43 -1.369 -3.352 -3.327 342 HB VAL 43 HB VAL 43 -1.225 -2.225 -1.182 343 HG11 VAL 43 HG11 VAL 43 -0.550 -0.926 -3.074 344 HG12 VAL 43 HG12 VAL 43 -1.200 0.085 -1.782 345 HG13 VAL 43 HG13 VAL 43 -2.176 -0.260 -3.210 346 HG21 VAL 43 HG21 VAL 43 -2.989 -0.723 -0.342 347 HG22 VAL 43 HG22 VAL 43 -3.580 -2.376 -0.479 348 HG23 VAL 43 HG23 VAL 43 -4.021 -1.180 -1.696 349 H HIS 44 HN HIS 44 -1.285 -5.168 -2.093 350 HA HIS 44 HA HIS 44 -3.789 -5.952 -0.825 351 HB2 HIS 44 HB2 HIS 44 -3.243 -8.389 -1.104 352 HB3 HIS 44 HB1 HIS 44 -3.618 -7.560 -2.596 353 HD1 HIS 44 HD1 HIS 44 -2.127 -7.943 -4.390 354 HD2 HIS 44 HD2 HIS 44 -0.333 -8.828 -0.772 355 HE1 HIS 44 HE1 HIS 44 0.150 -8.968 -4.972 356 HE2 HIS 44 HE2 HIS 44 1.137 -9.599 -2.754 357 H TYR 45 HN TYR 45 -3.738 -6.964 1.060 358 HA TYR 45 HA TYR 45 -1.567 -5.879 2.626 359 HB2 TYR 45 HB2 TYR 45 -4.230 -6.998 3.510 360 HB3 TYR 45 HB1 TYR 45 -3.105 -6.040 4.478 361 HD1 TYR 45 HD1 TYR 45 -2.822 -3.640 4.037 362 HD2 TYR 45 HD2 TYR 45 -5.617 -5.943 1.840 363 HE1 TYR 45 HE1 TYR 45 -3.838 -1.583 3.161 364 HE2 TYR 45 HE2 TYR 45 -6.656 -3.899 0.980 365 HH TYR 45 HH TYR 45 -6.841 -1.503 1.522 366 H TYR 46 HN TYR 46 -0.536 -7.011 4.227 367 HA TYR 46 HA TYR 46 -0.559 -9.859 3.731 368 HB2 TYR 46 HB2 TYR 46 1.843 -9.794 4.724 369 HB3 TYR 46 HB1 TYR 46 1.575 -9.309 3.063 370 HD1 TYR 46 HD1 TYR 46 2.269 -8.039 6.475 371 HD2 TYR 46 HD2 TYR 46 2.094 -7.130 2.333 372 HE1 TYR 46 HE1 TYR 46 3.493 -5.937 6.879 373 HE2 TYR 46 HE2 TYR 46 3.299 -5.038 2.730 374 HH TYR 46 HH TYR 46 3.689 -3.451 4.608 375 H GLY 47 HN GLY 47 -0.688 -11.292 5.248 376 HA2 GLY 47 HA2 GLY 47 -0.533 -11.331 7.872 377 HA3 GLY 47 HA1 GLY 47 -2.018 -10.391 7.636 378 H TRP 48 HN TRP 48 -3.755 -11.640 7.767 379 HA TRP 48 HA TRP 48 -3.474 -14.413 6.984 380 HB2 TRP 48 HB2 TRP 48 -4.528 -14.107 9.135 381 HB3 TRP 48 HB1 TRP 48 -5.700 -12.986 8.453 382 HD1 TRP 48 HD1 TRP 48 -7.974 -14.122 8.454 383 HE1 TRP 48 HE1 TRP 48 -8.898 -16.424 7.836 384 HE3 TRP 48 HE3 TRP 48 -3.578 -16.497 7.298 385 HZ2 TRP 48 HZ2 TRP 48 -7.922 -18.913 6.945 386 HZ3 TRP 48 HZ3 TRP 48 -3.676 -18.830 6.557 387 HH2 TRP 48 HH2 TRP 48 -5.800 -20.017 6.389 388 H ASN 49 HN ASN 49 -5.454 -11.590 6.181 389 HA ASN 49 HA ASN 49 -6.562 -13.127 3.961 390 HB2 ASN 49 HB2 ASN 49 -8.072 -11.715 5.440 391 HB3 ASN 49 HB1 ASN 49 -7.287 -10.298 4.750 392 HD21 ASN 49 HD21 ASN 49 -10.034 -11.001 4.620 393 HD22 ASN 49 HD22 ASN 49 -10.451 -11.157 2.951 394 H VAL 50 HN VAL 50 -4.864 -13.240 2.637 395 HA VAL 50 HA VAL 50 -3.515 -10.827 1.731 396 HB VAL 50 HB VAL 50 -3.112 -13.695 0.781 397 HG11 VAL 50 HG11 VAL 50 -0.907 -12.937 0.034 398 HG12 VAL 50 HG12 VAL 50 -1.302 -11.291 0.537 399 HG13 VAL 50 HG13 VAL 50 -2.203 -12.053 -0.773 400 HG21 VAL 50 HG21 VAL 50 -1.199 -13.783 2.310 401 HG22 VAL 50 HG22 VAL 50 -2.715 -13.529 3.180 402 HG23 VAL 50 HG23 VAL 50 -1.613 -12.180 2.914 403 H ARG 51 HN ARG 51 -6.306 -12.480 0.970 404 HA ARG 51 HA ARG 51 -6.232 -12.061 -1.904 405 HB2 ARG 51 HB2 ARG 51 -8.383 -13.113 -0.071 406 HB3 ARG 51 HB1 ARG 51 -8.707 -12.771 -1.755 407 HG2 ARG 51 HG2 ARG 51 -8.360 -15.135 -1.462 408 HG3 ARG 51 HG1 ARG 51 -7.008 -14.477 -2.377 409 HD2 ARG 51 HD2 ARG 51 -6.274 -16.100 -0.699 410 HD3 ARG 51 HD1 ARG 51 -5.635 -14.490 -0.377 411 HE ARG 51 HE ARG 51 -8.051 -14.903 1.031 412 HH11 ARG 51 HH11 ARG 51 -4.646 -15.885 1.075 413 HH12 ARG 51 HH12 ARG 51 -4.575 -16.095 2.764 414 HH21 ARG 51 HH21 ARG 51 -7.949 -15.178 3.395 415 HH22 ARG 51 HH22 ARG 51 -6.492 -15.638 4.108 416 H TYR 52 HN TYR 52 -6.749 -10.198 0.735 417 HA TYR 52 HA TYR 52 -8.808 -8.549 -0.380 418 HB2 TYR 52 HB2 TYR 52 -8.414 -8.990 2.137 419 HB3 TYR 52 HB1 TYR 52 -7.048 -7.897 1.995 420 HD1 TYR 52 HD1 TYR 52 -10.654 -7.959 1.040 421 HD2 TYR 52 HD2 TYR 52 -7.446 -5.714 2.678 422 HE1 TYR 52 HE1 TYR 52 -12.176 -6.077 1.447 423 HE2 TYR 52 HE2 TYR 52 -8.960 -3.830 3.081 424 HH TYR 52 HH TYR 52 -11.094 -3.044 2.015 425 H ASP 53 HN ASP 53 -7.859 -8.146 -2.283 426 HA ASP 53 HA ASP 53 -5.472 -6.444 -2.449 427 HB2 ASP 53 HB2 ASP 53 -5.884 -8.651 -3.792 428 HB3 ASP 53 HB1 ASP 53 -7.088 -7.743 -4.676 429 H GLU 54 HN GLU 54 -5.949 -4.303 -2.466 430 HA GLU 54 HA GLU 54 -8.655 -3.385 -3.265 431 HB2 GLU 54 HB2 GLU 54 -8.637 -3.824 -0.851 432 HB3 GLU 54 HB1 GLU 54 -7.171 -2.883 -0.687 433 HG2 GLU 54 HG2 GLU 54 -8.345 -0.853 -1.112 434 HG3 GLU 54 HG1 GLU 54 -9.813 -1.729 -1.543 435 H TRP 55 HN TRP 55 -8.835 -1.144 -3.554 436 HA TRP 55 HA TRP 55 -6.443 -0.006 -4.779 437 HB2 TRP 55 HB2 TRP 55 -9.361 0.514 -5.176 438 HB3 TRP 55 HB1 TRP 55 -8.080 1.423 -5.969 439 HD1 TRP 55 HD1 TRP 55 -9.654 -2.082 -5.903 440 HE1 TRP 55 HE1 TRP 55 -9.062 -3.273 -8.104 441 HE3 TRP 55 HE3 TRP 55 -6.391 1.355 -7.793 442 HZ2 TRP 55 HZ2 TRP 55 -7.380 -2.805 -10.353 443 HZ3 TRP 55 HZ3 TRP 55 -5.312 0.911 -9.941 444 HH2 TRP 55 HH2 TRP 55 -5.795 -1.120 -11.204 445 H VAL 56 HN VAL 56 -5.511 1.493 -3.693 446 HA VAL 56 HA VAL 56 -7.124 3.307 -2.062 447 HB VAL 56 HB VAL 56 -5.277 3.543 -0.461 448 HG11 VAL 56 HG11 VAL 56 -6.911 1.838 0.018 449 HG12 VAL 56 HG12 VAL 56 -5.311 1.306 0.546 450 HG13 VAL 56 HG13 VAL 56 -6.007 0.666 -0.942 451 HG21 VAL 56 HG21 VAL 56 -3.839 1.430 -2.087 452 HG22 VAL 56 HG22 VAL 56 -3.270 2.127 -0.566 453 HG23 VAL 56 HG23 VAL 56 -3.411 3.134 -2.001 454 H LYS 57 HN LYS 57 -5.947 5.422 -1.781 455 HA LYS 57 HA LYS 57 -4.845 6.142 -4.396 456 HB2 LYS 57 HB2 LYS 57 -6.976 7.177 -3.455 457 HB3 LYS 57 HB1 LYS 57 -5.949 7.965 -2.270 458 HG2 LYS 57 HG2 LYS 57 -4.739 9.061 -4.110 459 HG3 LYS 57 HG1 LYS 57 -5.846 8.348 -5.261 460 HD2 LYS 57 HD2 LYS 57 -7.749 9.400 -4.066 461 HD3 LYS 57 HD1 LYS 57 -6.605 10.167 -2.971 462 HE2 LYS 57 HE2 LYS 57 -5.620 11.374 -4.861 463 HE3 LYS 57 HE1 LYS 57 -6.763 10.559 -5.935 464 HZ1 LYS 57 HZ1 LYS 57 -7.499 12.387 -3.729 465 HZ2 LYS 57 HZ2 LYS 57 -8.572 11.615 -4.790 466 HZ3 LYS 57 HZ3 LYS 57 -7.512 12.765 -5.371 467 H ALA 58 HN ALA 58 -3.188 7.972 -4.253 468 HA ALA 58 HA ALA 58 -0.932 7.022 -2.922 469 HB1 ALA 58 HB1 ALA 58 -1.286 9.788 -4.048 470 HB2 ALA 58 HB2 ALA 58 -1.007 8.357 -5.014 471 HB3 ALA 58 HB3 ALA 58 0.222 8.883 -3.854 472 H ASP 59 HN ASP 59 -3.132 9.572 -2.052 473 HA ASP 59 HA ASP 59 -1.550 10.521 0.152 474 HB2 ASP 59 HB2 ASP 59 -4.429 11.057 -0.553 475 HB3 ASP 59 HB1 ASP 59 -3.701 11.676 0.920 476 H ARG 60 HN ARG 60 -3.213 7.730 -0.161 477 HA ARG 60 HA ARG 60 -3.885 7.617 2.684 478 HB2 ARG 60 HB2 ARG 60 -4.829 6.009 0.326 479 HB3 ARG 60 HB1 ARG 60 -5.105 5.489 1.977 480 HG2 ARG 60 HG2 ARG 60 -6.103 8.026 0.697 481 HG3 ARG 60 HG1 ARG 60 -7.085 6.627 1.125 482 HD2 ARG 60 HD2 ARG 60 -5.976 7.087 3.488 483 HD3 ARG 60 HD1 ARG 60 -5.888 8.731 2.852 484 HE ARG 60 HE ARG 60 -8.310 7.130 3.228 485 HH11 ARG 60 HH11 ARG 60 -6.747 10.345 3.105 486 HH12 ARG 60 HH12 ARG 60 -8.185 11.187 3.405 487 HH21 ARG 60 HH21 ARG 60 -10.287 8.381 3.661 488 HH22 ARG 60 HH22 ARG 60 -10.193 10.083 3.723 489 H ILE 61 HN ILE 61 -1.234 7.166 1.084 490 HA ILE 61 HA ILE 61 -0.643 4.577 2.295 491 HB ILE 61 HB ILE 61 0.539 5.829 -0.200 492 HG12 ILE 61 HG12 ILE 61 -1.280 3.450 0.159 493 HG13 ILE 61 HG11 ILE 61 -1.724 4.998 -0.547 494 HG21 ILE 61 HG21 ILE 61 1.734 3.720 -0.467 495 HG22 ILE 61 HG22 ILE 61 1.043 3.151 1.054 496 HG23 ILE 61 HG23 ILE 61 2.174 4.517 1.056 497 HD11 ILE 61 HD11 ILE 61 -0.168 4.600 -2.379 498 HD12 ILE 61 HD12 ILE 61 -1.372 3.315 -2.226 499 HD13 ILE 61 HD13 ILE 61 0.269 3.049 -1.641 500 H ILE 62 HN ILE 62 1.096 4.490 3.582 501 HA ILE 62 HA ILE 62 2.717 6.923 3.881 502 HB ILE 62 HB ILE 62 2.653 4.593 5.839 503 HG12 ILE 62 HG12 ILE 62 1.482 6.293 7.395 504 HG13 ILE 62 HG11 ILE 62 0.985 7.111 5.907 505 HG21 ILE 62 HG21 ILE 62 3.753 6.150 7.383 506 HG22 ILE 62 HG22 ILE 62 3.751 7.375 6.122 507 HG23 ILE 62 HG23 ILE 62 4.675 5.892 5.906 508 HD11 ILE 62 HD11 ILE 62 0.270 4.360 6.890 509 HD12 ILE 62 HD12 ILE 62 -0.076 4.923 5.250 510 HD13 ILE 62 HD13 ILE 62 -0.791 5.748 6.636 511 H TRP 63 HN TRP 63 4.526 6.706 2.794 512 HA TRP 63 HA TRP 63 5.461 4.098 2.049 513 HB2 TRP 63 HB2 TRP 63 6.469 6.880 1.437 514 HB3 TRP 63 HB1 TRP 63 7.216 5.412 0.810 515 HD1 TRP 63 HD1 TRP 63 4.048 7.556 0.432 516 HE1 TRP 63 HE1 TRP 63 2.858 6.879 -1.741 517 HE3 TRP 63 HE3 TRP 63 6.895 3.516 -0.818 518 HZ2 TRP 63 HZ2 TRP 63 3.088 4.888 -3.720 519 HZ3 TRP 63 HZ3 TRP 63 6.343 2.270 -2.879 520 HH2 TRP 63 HH2 TRP 63 4.483 2.938 -4.287 521 HA PRO 64 HA PRO 64 7.892 3.972 5.821 522 HB2 PRO 64 HB2 PRO 64 9.093 1.596 4.519 523 HB3 PRO 64 HB1 PRO 64 8.311 1.728 6.098 524 HG2 PRO 64 HG2 PRO 64 7.093 0.496 4.078 525 HG3 PRO 64 HG1 PRO 64 6.182 1.512 5.212 526 HD2 PRO 64 HD2 PRO 64 7.121 2.149 2.438 527 HD3 PRO 64 HD1 PRO 64 5.567 2.512 3.235 528 H LEU 65 HN LEU 65 9.473 5.287 6.001 529 HA LEU 65 HA LEU 65 11.982 4.932 4.689 530 HB2 LEU 65 HB2 LEU 65 10.373 6.319 3.128 531 HB3 LEU 65 HB1 LEU 65 10.579 7.574 4.326 532 HG LEU 65 HG LEU 65 12.005 7.954 2.383 533 HD11 LEU 65 HD11 LEU 65 13.629 7.228 4.803 534 HD12 LEU 65 HD12 LEU 65 12.839 8.773 4.495 535 HD13 LEU 65 HD13 LEU 65 14.163 8.236 3.457 536 HD21 LEU 65 HD21 LEU 65 12.283 5.667 1.658 537 HD22 LEU 65 HD22 LEU 65 13.270 5.312 3.072 538 HD23 LEU 65 HD23 LEU 65 13.855 6.443 1.850 539 H ASP 66 HN ASP 66 12.821 4.747 6.615 540 HA ASP 66 HA ASP 66 13.736 5.235 8.567 541 HB2 ASP 66 HB2 ASP 66 14.656 7.176 7.461 542 HB3 ASP 66 HB1 ASP 66 13.203 8.104 7.788 543 H LYS 67 HN LYS 67 11.342 7.792 8.630 544 HA LYS 67 HA LYS 67 9.729 8.355 10.022 545 HB2 LYS 67 HB2 LYS 67 9.594 5.437 10.510 546 HB3 LYS 67 HB1 LYS 67 8.663 6.554 11.502 547 HG2 LYS 67 HG2 LYS 67 7.823 7.508 9.391 548 HG3 LYS 67 HG1 LYS 67 8.501 6.078 8.570 549 HD2 LYS 67 HD2 LYS 67 7.267 4.640 10.110 550 HD3 LYS 67 HD1 LYS 67 6.663 6.101 10.903 551 HE2 LYS 67 HE2 LYS 67 5.483 6.730 8.893 552 HE3 LYS 67 HE1 LYS 67 6.054 5.268 8.079 553 HZ1 LYS 67 HZ1 LYS 67 4.339 5.388 10.486 554 HZ2 LYS 67 HZ2 LYS 67 4.900 3.970 9.830 555 HZ3 LYS 67 HZ3 LYS 67 3.807 4.929 8.962 556 H GLY 68 HN GLY 68 10.662 9.755 11.198 557 HA2 GLY 68 HA2 GLY 68 11.743 8.881 13.744 558 HA3 GLY 68 HA1 GLY 68 11.764 10.544 13.111 559 H LEU 69 HN LEU 69 8.957 10.023 12.280 560 HA LEU 69 HA LEU 69 7.552 11.167 14.515 561 HB2 LEU 69 HB2 LEU 69 6.449 9.942 11.987 562 HB3 LEU 69 HB1 LEU 69 5.612 11.035 13.064 563 HG LEU 69 HG LEU 69 8.030 11.790 11.424 564 HD11 LEU 69 HD11 LEU 69 5.107 12.334 10.936 565 HD12 LEU 69 HD12 LEU 69 6.123 11.232 10.013 566 HD13 LEU 69 HD13 LEU 69 6.454 12.967 9.986 567 HD21 LEU 69 HD21 LEU 69 7.734 13.140 13.447 568 HD22 LEU 69 HD22 LEU 69 6.061 13.461 12.993 569 HD23 LEU 69 HD23 LEU 69 7.380 14.081 12.000 570 H GLU 70 HN GLU 70 8.397 8.085 13.608 571 HA GLU 70 HA GLU 70 6.626 6.781 15.479 572 HB2 GLU 70 HB2 GLU 70 5.787 6.830 12.927 573 HB3 GLU 70 HB1 GLU 70 7.044 5.614 12.754 574 HG2 GLU 70 HG2 GLU 70 5.523 4.829 14.966 575 HG3 GLU 70 HG1 GLU 70 4.377 5.318 13.720 576 H HIS 71 HN HIS 71 7.835 4.135 14.319 577 HA HIS 71 HA HIS 71 10.622 4.825 14.757 578 HB2 HIS 71 HB2 HIS 71 9.217 3.955 16.859 579 HB3 HIS 71 HB1 HIS 71 9.600 2.391 16.152 580 HD1 HIS 71 HD1 HIS 71 11.571 1.426 17.241 581 HD2 HIS 71 HD2 HIS 71 11.834 5.553 17.045 582 HE1 HIS 71 HE1 HIS 71 13.758 2.013 18.337 583 HE2 HIS 71 HE2 HIS 71 13.646 4.496 18.545 584 H HIS 72 HN HIS 72 12.103 3.351 13.785 585 HA HIS 72 HA HIS 72 11.433 2.165 11.345 586 HB2 HIS 72 HB2 HIS 72 13.720 1.334 13.172 587 HB3 HIS 72 HB1 HIS 72 13.573 0.877 11.492 588 HD1 HIS 72 HD1 HIS 72 15.224 3.252 13.621 589 HD2 HIS 72 HD2 HIS 72 13.758 3.329 9.739 590 HE1 HIS 72 HE1 HIS 72 16.405 5.120 12.509 591 HE2 HIS 72 HE2 HIS 72 15.249 5.393 10.358 592 H HIS 73 HN HIS 73 12.077 0.517 14.387 593 HA HIS 73 HA HIS 73 10.060 -1.473 14.016 594 HB2 HIS 73 HB2 HIS 73 13.018 -2.222 14.180 595 HB3 HIS 73 HB1 HIS 73 11.726 -3.349 14.551 596 HD1 HIS 73 HD1 HIS 73 13.926 -2.499 11.957 597 HD2 HIS 73 HD2 HIS 73 9.923 -3.580 12.107 598 HE1 HIS 73 HE1 HIS 73 13.331 -3.221 9.630 599 HE2 HIS 73 HE2 HIS 73 10.882 -3.794 9.724 600 H HIS 74 HN HIS 74 10.985 -3.062 16.228 601 HA HIS 74 HA HIS 74 10.379 -1.227 18.272 602 HB2 HIS 74 HB2 HIS 74 9.843 -3.645 18.438 603 HB3 HIS 74 HB1 HIS 74 11.556 -3.998 18.638 604 HD1 HIS 74 HD1 HIS 74 12.194 -4.271 21.051 605 HD2 HIS 74 HD2 HIS 74 8.981 -1.692 20.560 606 HE1 HIS 74 HE1 HIS 74 11.530 -3.558 23.363 607 HE2 HIS 74 HE2 HIS 74 9.366 -2.370 22.999 608 H HIS 75 HN HIS 75 13.438 -2.620 17.219 609 HA HIS 75 HA HIS 75 14.780 -0.457 18.687 610 HB2 HIS 75 HB2 HIS 75 15.678 -3.296 18.279 611 HB3 HIS 75 HB1 HIS 75 16.870 -2.023 18.478 612 HD1 HIS 75 HD1 HIS 75 17.722 -2.925 20.704 613 HD2 HIS 75 HD2 HIS 75 13.657 -2.132 20.710 614 HE1 HIS 75 HE1 HIS 75 17.018 -3.068 23.091 615 HE2 HIS 75 HE2 HIS 75 14.707 -2.115 23.036 616 H HIS 76 HN HIS 76 15.811 -2.757 16.206 617 HA HIS 76 HA HIS 76 16.219 -0.580 14.345 618 HB2 HIS 76 HB2 HIS 76 18.362 -0.922 15.566 619 HB3 HIS 76 HB1 HIS 76 18.320 -2.623 15.113 620 HD1 HIS 76 HD1 HIS 76 19.193 -3.223 12.817 621 HD2 HIS 76 HD2 HIS 76 18.809 0.860 13.396 622 HE1 HIS 76 HE1 HIS 76 20.305 -2.162 10.837 623 HE2 HIS 76 HE2 HIS 76 19.780 0.298 11.096 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 12.231 -4.545 0.779 2 H2 GLU 1 HT2 GLU 1 13.059 -3.952 2.129 3 H3 GLU 1 HT3 GLU 1 12.752 -5.619 1.945 4 HA GLU 1 HA GLU 1 14.409 -4.123 0.030 5 HB2 GLU 1 HB2 GLU 1 16.348 -5.154 1.183 6 HB3 GLU 1 HB1 GLU 1 15.479 -4.079 2.263 7 HG2 GLU 1 HG2 GLU 1 14.327 -6.119 3.185 8 HG3 GLU 1 HG1 GLU 1 15.455 -7.078 2.234 9 H ASP 2 HN ASP 2 12.203 -5.776 -0.534 10 HA ASP 2 HA ASP 2 13.414 -8.381 -1.106 11 HB2 ASP 2 HB2 ASP 2 10.585 -7.884 -0.154 12 HB3 ASP 2 HB1 ASP 2 11.370 -9.439 -0.412 13 H MET 3 HN MET 3 13.728 -7.176 -3.175 14 HA MET 3 HA MET 3 13.277 -6.708 -5.308 15 HB2 MET 3 HB2 MET 3 12.637 -9.127 -5.342 16 HB3 MET 3 HB1 MET 3 10.974 -8.662 -5.022 17 HG2 MET 3 HG2 MET 3 11.257 -9.110 -7.370 18 HG3 MET 3 HG1 MET 3 10.947 -7.389 -7.123 19 HE1 MET 3 HE1 MET 3 11.830 -6.734 -9.485 20 HE2 MET 3 HE2 MET 3 12.062 -8.450 -9.830 21 HE3 MET 3 HE3 MET 3 13.354 -7.300 -10.174 22 H GLU 4 HN GLU 4 12.764 -4.586 -4.676 23 HA GLU 4 HA GLU 4 9.996 -3.936 -5.198 24 HB2 GLU 4 HB2 GLU 4 10.067 -2.309 -3.246 25 HB3 GLU 4 HB1 GLU 4 9.905 -4.026 -2.888 26 HG2 GLU 4 HG2 GLU 4 12.321 -4.094 -2.795 27 HG3 GLU 4 HG1 GLU 4 12.327 -2.333 -2.740 28 HA PRO 5 HA PRO 5 12.616 -0.965 -7.498 29 HB2 PRO 5 HB2 PRO 5 10.583 -1.503 -9.573 30 HB3 PRO 5 HB1 PRO 5 12.344 -1.578 -9.698 31 HG2 PRO 5 HG2 PRO 5 10.866 -3.810 -9.694 32 HG3 PRO 5 HG1 PRO 5 12.445 -3.740 -8.885 33 HD2 PRO 5 HD2 PRO 5 9.702 -3.527 -7.638 34 HD3 PRO 5 HD1 PRO 5 11.118 -4.445 -7.080 35 H CYS 6 HN CYS 6 11.864 0.616 -6.107 36 HA CYS 6 HA CYS 6 10.849 2.481 -5.436 37 HB2 CYS 6 HB2 CYS 6 9.670 2.491 -8.220 38 HB3 CYS 6 HB1 CYS 6 9.561 3.834 -7.092 39 HG CYS 6 HG CYS 6 12.395 4.073 -6.944 40 H LEU 7 HN LEU 7 8.216 1.201 -7.380 41 HA LEU 7 HA LEU 7 6.419 1.772 -5.126 42 HB2 LEU 7 HB2 LEU 7 5.694 1.146 -7.979 43 HB3 LEU 7 HB1 LEU 7 4.633 1.759 -6.734 44 HG LEU 7 HG LEU 7 6.924 3.266 -7.987 45 HD11 LEU 7 HD11 LEU 7 5.218 4.609 -9.038 46 HD12 LEU 7 HD12 LEU 7 3.954 3.635 -8.291 47 HD13 LEU 7 HD13 LEU 7 5.029 2.917 -9.490 48 HD21 LEU 7 HD21 LEU 7 4.864 4.175 -5.965 49 HD22 LEU 7 HD22 LEU 7 6.033 5.211 -6.775 50 HD23 LEU 7 HD23 LEU 7 6.589 3.953 -5.672 51 H THR 8 HN THR 8 6.520 -0.608 -7.753 52 HA THR 8 HA THR 8 4.833 -2.469 -6.563 53 HB THR 8 HB THR 8 5.855 -4.004 -8.305 54 HG1 THR 8 HG1 THR 8 7.832 -2.547 -8.185 55 HG21 THR 8 HG21 THR 8 3.845 -2.689 -8.728 56 HG22 THR 8 HG22 THR 8 4.859 -2.729 -10.171 57 HG23 THR 8 HG23 THR 8 4.825 -1.284 -9.152 58 H GLY 9 HN GLY 9 5.162 -4.079 -5.149 59 HA2 GLY 9 HA2 GLY 9 6.372 -5.851 -4.210 60 HA3 GLY 9 HA1 GLY 9 7.870 -5.091 -4.742 61 H THR 10 HN THR 10 7.111 -2.487 -3.691 62 HA THR 10 HA THR 10 8.263 -2.671 -1.166 63 HB THR 10 HB THR 10 6.571 -0.472 -2.321 64 HG1 THR 10 HG1 THR 10 8.348 0.212 -3.400 65 HG21 THR 10 HG21 THR 10 7.982 1.017 -0.940 66 HG22 THR 10 HG22 THR 10 8.783 -0.406 -0.256 67 HG23 THR 10 HG23 THR 10 7.061 -0.135 0.023 68 H LYS 11 HN LYS 11 7.363 -2.958 0.780 69 HA LYS 11 HA LYS 11 4.489 -3.093 0.888 70 HB2 LYS 11 HB2 LYS 11 4.701 -4.251 3.083 71 HB3 LYS 11 HB1 LYS 11 5.503 -5.089 1.787 72 HG2 LYS 11 HG2 LYS 11 6.915 -5.320 3.638 73 HG3 LYS 11 HG1 LYS 11 7.676 -4.086 2.645 74 HD2 LYS 11 HD2 LYS 11 7.757 -3.499 5.023 75 HD3 LYS 11 HD1 LYS 11 6.765 -2.352 4.123 76 HE2 LYS 11 HE2 LYS 11 4.729 -3.437 4.927 77 HE3 LYS 11 HE1 LYS 11 5.684 -4.674 5.742 78 HZ1 LYS 11 HZ1 LYS 11 5.753 -1.778 6.375 79 HZ2 LYS 11 HZ2 LYS 11 6.559 -3.004 7.200 80 HZ3 LYS 11 HZ3 LYS 11 4.873 -2.953 7.218 81 H VAL 12 HN VAL 12 3.265 -1.852 2.000 82 HA VAL 12 HA VAL 12 4.478 0.549 3.195 83 HB VAL 12 HB VAL 12 2.773 1.891 2.043 84 HG11 VAL 12 HG11 VAL 12 3.714 1.798 -0.210 85 HG12 VAL 12 HG12 VAL 12 4.400 0.212 0.139 86 HG13 VAL 12 HG13 VAL 12 4.982 1.628 1.005 87 HG21 VAL 12 HG21 VAL 12 1.073 0.139 1.792 88 HG22 VAL 12 HG22 VAL 12 2.071 -0.668 0.585 89 HG23 VAL 12 HG23 VAL 12 1.407 0.941 0.260 90 H LYS 13 HN LYS 13 2.532 1.889 4.101 91 HA LYS 13 HA LYS 13 0.667 0.075 5.450 92 HB2 LYS 13 HB2 LYS 13 1.766 2.745 6.388 93 HB3 LYS 13 HB1 LYS 13 0.501 1.850 7.185 94 HG2 LYS 13 HG2 LYS 13 3.101 0.550 6.637 95 HG3 LYS 13 HG1 LYS 13 2.874 1.627 8.064 96 HD2 LYS 13 HD2 LYS 13 1.120 -0.710 7.389 97 HD3 LYS 13 HD1 LYS 13 2.590 -0.893 8.345 98 HE2 LYS 13 HE2 LYS 13 1.723 0.686 9.971 99 HE3 LYS 13 HE1 LYS 13 0.264 0.896 9.003 100 HZ1 LYS 13 HZ1 LYS 13 1.196 -1.646 10.187 101 HZ2 LYS 13 HZ2 LYS 13 -0.300 -1.422 9.437 102 HZ3 LYS 13 HZ3 LYS 13 0.042 -0.662 10.910 103 H VAL 14 HN VAL 14 -1.416 0.507 5.239 104 HA VAL 14 HA VAL 14 -2.097 2.787 3.505 105 HB VAL 14 HB VAL 14 -3.426 0.066 3.620 106 HG11 VAL 14 HG11 VAL 14 -4.854 0.878 1.794 107 HG12 VAL 14 HG12 VAL 14 -4.087 2.461 1.904 108 HG13 VAL 14 HG13 VAL 14 -5.061 1.863 3.243 109 HG21 VAL 14 HG21 VAL 14 -1.270 0.115 2.440 110 HG22 VAL 14 HG22 VAL 14 -1.880 1.378 1.363 111 HG23 VAL 14 HG23 VAL 14 -2.618 -0.225 1.371 112 H LYS 15 HN LYS 15 -3.629 4.115 4.160 113 HA LYS 15 HA LYS 15 -4.820 3.634 6.793 114 HB2 LYS 15 HB2 LYS 15 -3.321 5.497 6.725 115 HB3 LYS 15 HB1 LYS 15 -4.055 6.103 5.259 116 HG2 LYS 15 HG2 LYS 15 -6.100 6.620 6.531 117 HG3 LYS 15 HG1 LYS 15 -5.290 6.066 8.003 118 HD2 LYS 15 HD2 LYS 15 -3.610 7.761 7.801 119 HD3 LYS 15 HD1 LYS 15 -4.209 8.232 6.214 120 HE2 LYS 15 HE2 LYS 15 -6.319 8.956 7.254 121 HE3 LYS 15 HE1 LYS 15 -5.668 8.525 8.837 122 HZ1 LYS 15 HZ1 LYS 15 -3.955 10.180 8.568 123 HZ2 LYS 15 HZ2 LYS 15 -5.456 10.920 8.303 124 HZ3 LYS 15 HZ3 LYS 15 -4.473 10.508 7.004 125 H TYR 16 HN TYR 16 -6.928 2.975 6.632 126 HA TYR 16 HA TYR 16 -8.693 4.667 5.091 127 HB2 TYR 16 HB2 TYR 16 -8.385 1.756 4.579 128 HB3 TYR 16 HB1 TYR 16 -10.025 2.364 4.654 129 HD1 TYR 16 HD1 TYR 16 -9.584 5.038 3.307 130 HD2 TYR 16 HD2 TYR 16 -8.190 1.141 2.323 131 HE1 TYR 16 HE1 TYR 16 -9.508 5.671 0.948 132 HE2 TYR 16 HE2 TYR 16 -8.112 1.781 -0.055 133 HH TYR 16 HH TYR 16 -8.919 3.356 -1.557 134 H GLY 17 HN GLY 17 -10.394 5.270 6.221 135 HA2 GLY 17 HA2 GLY 17 -11.834 3.519 7.821 136 HA3 GLY 17 HA1 GLY 17 -10.692 4.438 8.799 137 H ARG 18 HN ARG 18 -13.326 4.601 9.205 138 HA ARG 18 HA ARG 18 -13.573 7.425 8.724 139 HB2 ARG 18 HB2 ARG 18 -16.085 7.145 8.740 140 HB3 ARG 18 HB1 ARG 18 -15.286 6.541 7.304 141 HG2 ARG 18 HG2 ARG 18 -15.527 4.252 8.122 142 HG3 ARG 18 HG1 ARG 18 -16.269 4.847 9.603 143 HD2 ARG 18 HD2 ARG 18 -18.101 5.806 8.339 144 HD3 ARG 18 HD1 ARG 18 -17.347 5.317 6.825 145 HE ARG 18 HE ARG 18 -17.569 2.984 7.895 146 HH11 ARG 18 HH11 ARG 18 -19.965 5.595 8.120 147 HH12 ARG 18 HH12 ARG 18 -21.297 4.548 8.212 148 HH21 ARG 18 HH21 ARG 18 -19.385 1.575 8.023 149 HH22 ARG 18 HH22 ARG 18 -20.963 2.194 8.185 150 H GLY 19 HN GLY 19 -13.112 8.274 10.546 151 HA2 GLY 19 HA2 GLY 19 -13.284 8.868 12.755 152 HA3 GLY 19 HA1 GLY 19 -14.699 7.827 12.847 153 H LYS 20 HN LYS 20 -14.512 6.310 14.282 154 HA LYS 20 HA LYS 20 -11.895 5.493 15.221 155 HB2 LYS 20 HB2 LYS 20 -13.642 6.135 16.845 156 HB3 LYS 20 HB1 LYS 20 -14.665 4.832 16.288 157 HG2 LYS 20 HG2 LYS 20 -13.610 4.253 18.380 158 HG3 LYS 20 HG1 LYS 20 -12.989 3.216 17.092 159 HD2 LYS 20 HD2 LYS 20 -10.994 4.619 16.922 160 HD3 LYS 20 HD1 LYS 20 -11.620 5.667 18.197 161 HE2 LYS 20 HE2 LYS 20 -11.537 3.816 19.770 162 HE3 LYS 20 HE1 LYS 20 -10.988 2.736 18.491 163 HZ1 LYS 20 HZ1 LYS 20 -9.178 3.493 19.862 164 HZ2 LYS 20 HZ2 LYS 20 -9.497 5.108 19.491 165 HZ3 LYS 20 HZ3 LYS 20 -8.986 4.038 18.286 166 H THR 21 HN THR 21 -14.151 4.466 12.965 167 HA THR 21 HA THR 21 -13.717 1.618 13.150 168 HB THR 21 HB THR 21 -14.903 3.288 10.890 169 HG1 THR 21 HG1 THR 21 -15.758 2.898 13.367 170 HG21 THR 21 HG21 THR 21 -14.406 0.929 10.279 171 HG22 THR 21 HG22 THR 21 -16.128 1.288 10.285 172 HG23 THR 21 HG23 THR 21 -15.412 0.391 11.631 173 H GLN 22 HN GLN 22 -11.613 3.868 12.553 174 HA GLN 22 HA GLN 22 -10.506 3.063 10.000 175 HB2 GLN 22 HB2 GLN 22 -10.552 5.454 10.583 176 HB3 GLN 22 HB1 GLN 22 -9.571 5.118 11.995 177 HG2 GLN 22 HG2 GLN 22 -7.747 4.352 10.545 178 HG3 GLN 22 HG1 GLN 22 -8.706 4.754 9.129 179 HE21 GLN 22 HE21 GLN 22 -6.174 5.723 9.958 180 HE22 GLN 22 HE22 GLN 22 -6.311 7.428 10.190 181 H LYS 23 HN LYS 23 -8.646 2.060 9.639 182 HA LYS 23 HA LYS 23 -6.869 1.456 11.806 183 HB2 LYS 23 HB2 LYS 23 -6.730 -0.925 11.281 184 HB3 LYS 23 HB1 LYS 23 -8.382 -0.538 11.712 185 HG2 LYS 23 HG2 LYS 23 -7.477 -0.692 8.849 186 HG3 LYS 23 HG1 LYS 23 -7.985 -2.116 9.739 187 HD2 LYS 23 HD2 LYS 23 -9.723 0.329 9.457 188 HD3 LYS 23 HD1 LYS 23 -9.729 -0.981 8.273 189 HE2 LYS 23 HE2 LYS 23 -10.331 -2.554 10.021 190 HE3 LYS 23 HE1 LYS 23 -10.325 -1.262 11.218 191 HZ1 LYS 23 HZ1 LYS 23 -12.126 -1.406 8.858 192 HZ2 LYS 23 HZ2 LYS 23 -12.153 -0.201 10.050 193 HZ3 LYS 23 HZ3 LYS 23 -12.562 -1.794 10.436 194 H ILE 24 HN ILE 24 -4.784 0.901 10.977 195 HA ILE 24 HA ILE 24 -4.489 1.553 8.151 196 HB ILE 24 HB ILE 24 -2.469 1.976 10.410 197 HG12 ILE 24 HG12 ILE 24 -2.500 4.386 9.606 198 HG13 ILE 24 HG11 ILE 24 -3.863 3.971 8.597 199 HG21 ILE 24 HG21 ILE 24 -0.856 2.737 8.794 200 HG22 ILE 24 HG22 ILE 24 -2.050 2.605 7.511 201 HG23 ILE 24 HG23 ILE 24 -1.457 1.147 8.287 202 HD11 ILE 24 HD11 ILE 24 -5.200 3.497 10.579 203 HD12 ILE 24 HD12 ILE 24 -4.524 5.127 10.657 204 HD13 ILE 24 HD13 ILE 24 -3.810 3.826 11.603 205 H TYR 25 HN TYR 25 -3.443 0.116 6.905 206 HA TYR 25 HA TYR 25 -3.076 -2.568 8.109 207 HB2 TYR 25 HB2 TYR 25 -3.406 -1.989 5.185 208 HB3 TYR 25 HB1 TYR 25 -3.670 -3.500 6.030 209 HD1 TYR 25 HD2 TYR 25 -5.859 -3.871 7.240 210 HD2 TYR 25 HD1 TYR 25 -5.058 -0.307 5.046 211 HE1 TYR 25 HE2 TYR 25 -8.253 -3.348 7.188 212 HE2 TYR 25 HE1 TYR 25 -7.429 0.203 4.992 213 HH TYR 25 HH TYR 25 -9.519 -0.954 5.138 214 H GLU 26 HN GLU 26 -1.442 -3.930 6.963 215 HA GLU 26 HA GLU 26 0.969 -2.459 6.065 216 HB2 GLU 26 HB2 GLU 26 0.553 -5.367 6.926 217 HB3 GLU 26 HB1 GLU 26 2.089 -4.636 6.531 218 HG2 GLU 26 HG2 GLU 26 0.531 -3.503 8.793 219 HG3 GLU 26 HG1 GLU 26 1.355 -5.059 9.029 220 H ALA 27 HN ALA 27 1.051 -2.571 3.766 221 HA ALA 27 HA ALA 27 -0.235 -4.878 2.449 222 HB1 ALA 27 HB1 ALA 27 -1.794 -2.985 2.438 223 HB2 ALA 27 HB2 ALA 27 -1.261 -3.418 0.813 224 HB3 ALA 27 HB3 ALA 27 -0.578 -2.003 1.617 225 H SER 28 HN SER 28 0.401 -5.033 0.138 226 HA SER 28 HA SER 28 3.071 -3.880 -0.357 227 HB2 SER 28 HB2 SER 28 2.015 -6.555 -1.313 228 HB3 SER 28 HB1 SER 28 3.609 -5.876 -1.657 229 HG SER 28 HG SER 28 4.273 -6.551 0.151 230 H ILE 29 HN ILE 29 3.443 -2.946 -2.350 231 HA ILE 29 HA ILE 29 1.138 -2.137 -3.858 232 HB ILE 29 HB ILE 29 4.049 -1.664 -4.513 233 HG12 ILE 29 HG12 ILE 29 3.635 -0.850 -2.231 234 HG13 ILE 29 HG11 ILE 29 3.870 0.488 -3.327 235 HG21 ILE 29 HG21 ILE 29 3.201 0.334 -5.691 236 HG22 ILE 29 HG22 ILE 29 1.553 -0.189 -5.327 237 HG23 ILE 29 HG23 ILE 29 2.580 -1.176 -6.360 238 HD11 ILE 29 HD11 ILE 29 1.393 0.755 -3.426 239 HD12 ILE 29 HD12 ILE 29 2.119 1.041 -1.857 240 HD13 ILE 29 HD13 ILE 29 1.268 -0.476 -2.157 241 H LYS 30 HN LYS 30 0.375 -3.028 -5.633 242 HA LYS 30 HA LYS 30 1.773 -5.216 -7.016 243 HB2 LYS 30 HB2 LYS 30 -1.071 -4.266 -6.931 244 HB3 LYS 30 HB1 LYS 30 -0.522 -5.463 -8.087 245 HG2 LYS 30 HG2 LYS 30 -0.100 -5.840 -5.153 246 HG3 LYS 30 HG1 LYS 30 -1.644 -6.232 -5.907 247 HD2 LYS 30 HD2 LYS 30 1.012 -7.340 -6.824 248 HD3 LYS 30 HD1 LYS 30 -0.080 -8.160 -5.705 249 HE2 LYS 30 HE2 LYS 30 -1.849 -8.095 -7.414 250 HE3 LYS 30 HE1 LYS 30 -0.725 -7.368 -8.549 251 HZ1 LYS 30 HZ1 LYS 30 -0.364 -10.005 -7.261 252 HZ2 LYS 30 HZ2 LYS 30 0.632 -9.367 -8.454 253 HZ3 LYS 30 HZ3 LYS 30 -0.970 -9.784 -8.811 254 H SER 31 HN SER 31 -0.248 -2.401 -7.924 255 HA SER 31 HA SER 31 1.495 -1.804 -10.118 256 HB2 SER 31 HB2 SER 31 -0.095 -3.642 -10.928 257 HB3 SER 31 HB1 SER 31 -1.414 -2.528 -10.603 258 HG SER 31 HG SER 31 0.664 -2.324 -12.487 259 H THR 32 HN THR 32 0.566 0.215 -11.186 260 HA THR 32 HA THR 32 -1.184 1.713 -9.386 261 HB THR 32 HB THR 32 0.956 3.119 -10.881 262 HG1 THR 32 HG1 THR 32 2.030 1.437 -9.673 263 HG21 THR 32 HG21 THR 32 -0.334 3.527 -8.210 264 HG22 THR 32 HG22 THR 32 -0.795 4.284 -9.729 265 HG23 THR 32 HG23 THR 32 0.777 4.648 -9.006 266 H GLU 33 HN GLU 33 -2.585 2.946 -10.483 267 HA GLU 33 HA GLU 33 -2.348 3.228 -13.357 268 HB2 GLU 33 HB2 GLU 33 -4.673 1.877 -12.010 269 HB3 GLU 33 HB1 GLU 33 -4.756 2.604 -13.606 270 HG2 GLU 33 HG2 GLU 33 -3.114 1.130 -14.462 271 HG3 GLU 33 HG1 GLU 33 -2.798 0.441 -12.872 272 H ILE 34 HN ILE 34 -3.783 4.754 -14.180 273 HA ILE 34 HA ILE 34 -4.527 6.695 -12.135 274 HB ILE 34 HB ILE 34 -3.776 7.150 -15.022 275 HG12 ILE 34 HG12 ILE 34 -1.986 8.669 -14.032 276 HG13 ILE 34 HG11 ILE 34 -2.471 8.059 -12.461 277 HG21 ILE 34 HG21 ILE 34 -4.746 9.197 -13.028 278 HG22 ILE 34 HG22 ILE 34 -5.598 8.648 -14.469 279 HG23 ILE 34 HG23 ILE 34 -4.099 9.571 -14.628 280 HD11 ILE 34 HD11 ILE 34 -1.279 6.415 -14.684 281 HD12 ILE 34 HD12 ILE 34 -1.794 5.838 -13.097 282 HD13 ILE 34 HD13 ILE 34 -0.448 6.974 -13.216 283 H ASP 35 HN ASP 35 -6.573 6.972 -11.916 284 HA ASP 35 HA ASP 35 -8.455 6.364 -14.077 285 HB2 ASP 35 HB2 ASP 35 -8.247 4.308 -12.674 286 HB3 ASP 35 HB1 ASP 35 -8.679 5.257 -11.260 287 H ASP 36 HN ASP 36 -10.007 7.826 -14.159 288 HA ASP 36 HA ASP 36 -11.293 9.663 -13.769 289 HB2 ASP 36 HB2 ASP 36 -11.997 8.284 -11.741 290 HB3 ASP 36 HB1 ASP 36 -10.795 9.155 -10.808 291 H GLY 37 HN GLY 37 -8.316 9.704 -13.892 292 HA2 GLY 37 HA2 GLY 37 -6.883 11.494 -14.251 293 HA3 GLY 37 HA1 GLY 37 -7.995 12.543 -13.387 294 H GLU 38 HN GLU 38 -7.583 9.937 -11.414 295 HA GLU 38 HA GLU 38 -5.306 11.174 -10.127 296 HB2 GLU 38 HB2 GLU 38 -6.408 10.310 -7.979 297 HB3 GLU 38 HB1 GLU 38 -7.062 11.739 -8.774 298 HG2 GLU 38 HG2 GLU 38 -8.801 10.322 -9.791 299 HG3 GLU 38 HG1 GLU 38 -8.187 8.961 -8.850 300 H VAL 39 HN VAL 39 -4.119 9.722 -8.613 301 HA VAL 39 HA VAL 39 -3.641 7.324 -10.209 302 HB VAL 39 HB VAL 39 -1.703 8.388 -8.186 303 HG11 VAL 39 HG11 VAL 39 -0.052 7.273 -9.682 304 HG12 VAL 39 HG12 VAL 39 -1.404 6.699 -10.660 305 HG13 VAL 39 HG13 VAL 39 -1.251 6.183 -9.000 306 HG21 VAL 39 HG21 VAL 39 -2.139 10.287 -9.603 307 HG22 VAL 39 HG22 VAL 39 -1.949 9.310 -11.048 308 HG23 VAL 39 HG23 VAL 39 -0.556 9.624 -10.008 309 H LEU 40 HN LEU 40 -4.250 5.538 -9.542 310 HA LEU 40 HA LEU 40 -4.627 5.117 -6.679 311 HB2 LEU 40 HB2 LEU 40 -6.009 3.763 -8.991 312 HB3 LEU 40 HB1 LEU 40 -6.316 3.506 -7.283 313 HG LEU 40 HG LEU 40 -6.872 6.046 -8.801 314 HD11 LEU 40 HD11 LEU 40 -8.370 4.221 -9.387 315 HD12 LEU 40 HD12 LEU 40 -9.205 5.481 -8.477 316 HD13 LEU 40 HD13 LEU 40 -8.747 3.971 -7.681 317 HD21 LEU 40 HD21 LEU 40 -6.261 6.484 -6.497 318 HD22 LEU 40 HD22 LEU 40 -7.427 5.308 -5.919 319 HD23 LEU 40 HD23 LEU 40 -7.975 6.780 -6.737 320 H TYR 41 HN TYR 41 -3.766 3.372 -5.839 321 HA TYR 41 HA TYR 41 -1.933 1.771 -7.470 322 HB2 TYR 41 HB2 TYR 41 -1.982 2.419 -4.518 323 HB3 TYR 41 HB1 TYR 41 -0.937 1.205 -5.222 324 HD1 TYR 41 HD2 TYR 41 -1.735 4.879 -5.509 325 HD2 TYR 41 HD1 TYR 41 1.186 1.797 -5.876 326 HE1 TYR 41 HE2 TYR 41 -0.058 6.531 -5.895 327 HE2 TYR 41 HE1 TYR 41 2.915 3.494 -6.252 328 HH TYR 41 HH TYR 41 3.024 5.877 -7.081 329 H LEU 42 HN LEU 42 -1.873 -0.419 -7.027 330 HA LEU 42 HA LEU 42 -4.275 -1.556 -5.790 331 HB2 LEU 42 HB2 LEU 42 -2.407 -2.468 -7.925 332 HB3 LEU 42 HB1 LEU 42 -3.152 -3.674 -6.903 333 HG LEU 42 HG LEU 42 -4.674 -1.683 -8.570 334 HD11 LEU 42 HD11 LEU 42 -5.151 -3.637 -9.972 335 HD12 LEU 42 HD12 LEU 42 -4.051 -4.609 -8.982 336 HD13 LEU 42 HD13 LEU 42 -3.427 -3.275 -9.942 337 HD21 LEU 42 HD21 LEU 42 -6.553 -3.180 -8.036 338 HD22 LEU 42 HD22 LEU 42 -5.895 -2.405 -6.604 339 HD23 LEU 42 HD23 LEU 42 -5.501 -4.092 -6.955 340 H VAL 43 HN VAL 43 -3.949 -2.157 -3.830 341 HA VAL 43 HA VAL 43 -1.309 -3.197 -3.135 342 HB VAL 43 HB VAL 43 -1.331 -1.998 -1.017 343 HG11 VAL 43 HG11 VAL 43 -2.079 -0.072 -3.162 344 HG12 VAL 43 HG12 VAL 43 -0.503 -0.808 -2.948 345 HG13 VAL 43 HG13 VAL 43 -1.145 0.269 -1.701 346 HG21 VAL 43 HG21 VAL 43 -4.066 -1.003 -1.834 347 HG22 VAL 43 HG22 VAL 43 -3.151 -0.371 -0.485 348 HG23 VAL 43 HG23 VAL 43 -3.706 -2.052 -0.460 349 H HIS 44 HN HIS 44 -1.377 -4.938 -1.808 350 HA HIS 44 HA HIS 44 -4.055 -5.674 -0.914 351 HB2 HIS 44 HB2 HIS 44 -3.477 -8.105 -1.000 352 HB3 HIS 44 HB1 HIS 44 -3.533 -7.341 -2.572 353 HD1 HIS 44 HD1 HIS 44 -1.704 -7.846 -4.022 354 HD2 HIS 44 HD2 HIS 44 -0.668 -8.541 -0.067 355 HE1 HIS 44 HE1 HIS 44 0.613 -8.987 -4.073 356 HE2 HIS 44 HE2 HIS 44 1.117 -9.499 -1.686 357 H TYR 45 HN TYR 45 -4.409 -5.929 1.002 358 HA TYR 45 HA TYR 45 -2.445 -5.241 2.953 359 HB2 TYR 45 HB2 TYR 45 -5.221 -6.373 3.416 360 HB3 TYR 45 HB1 TYR 45 -4.317 -5.280 4.461 361 HD1 TYR 45 HD1 TYR 45 -3.656 -2.992 3.299 362 HD2 TYR 45 HD2 TYR 45 -6.920 -5.435 2.106 363 HE1 TYR 45 HE1 TYR 45 -4.684 -1.068 2.214 364 HE2 TYR 45 HE2 TYR 45 -7.975 -3.496 1.017 365 HH TYR 45 HH TYR 45 -7.914 -1.050 0.986 366 H TYR 46 HN TYR 46 -0.976 -6.759 3.624 367 HA TYR 46 HA TYR 46 -1.597 -9.423 2.814 368 HB2 TYR 46 HB2 TYR 46 0.701 -10.098 3.252 369 HB3 TYR 46 HB1 TYR 46 0.612 -8.691 2.223 370 HD1 TYR 46 HD1 TYR 46 1.594 -9.966 5.527 371 HD2 TYR 46 HD2 TYR 46 1.602 -6.585 2.943 372 HE1 TYR 46 HE1 TYR 46 3.313 -8.911 6.927 373 HE2 TYR 46 HE2 TYR 46 3.317 -5.512 4.348 374 HH TYR 46 HH TYR 46 5.104 -7.226 6.582 375 H GLY 47 HN GLY 47 -2.422 -7.966 5.472 376 HA2 GLY 47 HA2 GLY 47 -1.986 -10.214 7.238 377 HA3 GLY 47 HA1 GLY 47 -2.916 -8.758 7.602 378 H TRP 48 HN TRP 48 -2.960 -11.858 5.989 379 HA TRP 48 HA TRP 48 -4.566 -13.431 5.783 380 HB2 TRP 48 HB2 TRP 48 -5.541 -12.841 7.900 381 HB3 TRP 48 HB1 TRP 48 -6.330 -11.431 7.215 382 HD1 TRP 48 HD1 TRP 48 -8.759 -11.764 6.383 383 HE1 TRP 48 HE1 TRP 48 -10.339 -13.784 6.168 384 HE3 TRP 48 HE3 TRP 48 -5.432 -15.531 7.351 385 HZ2 TRP 48 HZ2 TRP 48 -10.204 -16.575 6.364 386 HZ3 TRP 48 HZ3 TRP 48 -6.252 -17.852 7.318 387 HH2 TRP 48 HH2 TRP 48 -8.585 -18.359 6.837 388 H ASN 49 HN ASN 49 -5.095 -10.317 4.524 389 HA ASN 49 HA ASN 49 -7.229 -11.058 2.745 390 HB2 ASN 49 HB2 ASN 49 -5.612 -8.560 3.088 391 HB3 ASN 49 HB1 ASN 49 -6.793 -8.729 1.814 392 HD21 ASN 49 HD21 ASN 49 -8.006 -7.010 2.675 393 HD22 ASN 49 HD22 ASN 49 -8.918 -7.147 4.130 394 H VAL 50 HN VAL 50 -6.635 -12.501 1.239 395 HA VAL 50 HA VAL 50 -4.164 -12.053 -0.187 396 HB VAL 50 HB VAL 50 -4.653 -14.230 -1.374 397 HG11 VAL 50 HG11 VAL 50 -3.161 -14.109 0.523 398 HG12 VAL 50 HG12 VAL 50 -4.095 -15.605 0.584 399 HG13 VAL 50 HG13 VAL 50 -4.525 -14.252 1.629 400 HG21 VAL 50 HG21 VAL 50 -7.093 -14.293 -1.075 401 HG22 VAL 50 HG22 VAL 50 -6.877 -14.406 0.672 402 HG23 VAL 50 HG23 VAL 50 -6.339 -15.722 -0.366 403 H ARG 51 HN ARG 51 -7.601 -12.227 -1.002 404 HA ARG 51 HA ARG 51 -6.896 -11.195 -3.645 405 HB2 ARG 51 HB2 ARG 51 -8.346 -13.247 -3.496 406 HB3 ARG 51 HB1 ARG 51 -9.593 -12.255 -2.760 407 HG2 ARG 51 HG2 ARG 51 -9.719 -10.887 -4.789 408 HG3 ARG 51 HG1 ARG 51 -8.459 -11.859 -5.535 409 HD2 ARG 51 HD2 ARG 51 -10.629 -12.544 -6.333 410 HD3 ARG 51 HD1 ARG 51 -9.920 -13.835 -5.370 411 HE ARG 51 HE ARG 51 -11.538 -12.185 -3.765 412 HH11 ARG 51 HH11 ARG 51 -11.898 -14.545 -6.373 413 HH12 ARG 51 HH12 ARG 51 -13.331 -15.237 -5.762 414 HH21 ARG 51 HH21 ARG 51 -13.577 -13.068 -2.953 415 HH22 ARG 51 HH22 ARG 51 -14.323 -14.338 -3.793 416 H TYR 52 HN TYR 52 -7.653 -9.960 -0.725 417 HA TYR 52 HA TYR 52 -9.210 -7.837 -1.905 418 HB2 TYR 52 HB2 TYR 52 -8.246 -8.013 0.973 419 HB3 TYR 52 HB1 TYR 52 -9.218 -6.715 0.315 420 HD1 TYR 52 HD2 TYR 52 -11.498 -7.278 -0.623 421 HD2 TYR 52 HD1 TYR 52 -9.257 -9.970 1.775 422 HE1 TYR 52 HE2 TYR 52 -13.542 -8.550 -0.149 423 HE2 TYR 52 HE1 TYR 52 -11.297 -11.254 2.249 424 HH TYR 52 HH TYR 52 -13.714 -10.868 2.277 425 H ASP 53 HN ASP 53 -7.827 -7.452 -3.385 426 HA ASP 53 HA ASP 53 -5.372 -5.961 -2.814 427 HB2 ASP 53 HB2 ASP 53 -5.647 -8.067 -4.356 428 HB3 ASP 53 HB1 ASP 53 -6.482 -6.982 -5.435 429 H GLU 54 HN GLU 54 -5.978 -3.856 -2.625 430 HA GLU 54 HA GLU 54 -8.490 -2.991 -3.931 431 HB2 GLU 54 HB2 GLU 54 -8.607 -3.595 -1.498 432 HB3 GLU 54 HB1 GLU 54 -7.469 -2.305 -1.179 433 HG2 GLU 54 HG2 GLU 54 -9.076 -0.668 -1.885 434 HG3 GLU 54 HG1 GLU 54 -10.207 -1.930 -2.375 435 H TRP 55 HN TRP 55 -8.724 -0.651 -3.928 436 HA TRP 55 HA TRP 55 -6.346 0.489 -5.166 437 HB2 TRP 55 HB2 TRP 55 -9.260 1.196 -5.390 438 HB3 TRP 55 HB1 TRP 55 -7.957 1.980 -6.275 439 HD1 TRP 55 HD1 TRP 55 -9.879 -1.353 -6.122 440 HE1 TRP 55 HE1 TRP 55 -9.455 -2.628 -8.328 441 HE3 TRP 55 HE3 TRP 55 -6.316 1.687 -8.145 442 HZ2 TRP 55 HZ2 TRP 55 -7.822 -2.370 -10.604 443 HZ3 TRP 55 HZ3 TRP 55 -5.356 1.109 -10.315 444 HH2 TRP 55 HH2 TRP 55 -6.085 -0.880 -11.532 445 H VAL 56 HN VAL 56 -5.351 2.091 -4.300 446 HA VAL 56 HA VAL 56 -6.639 3.890 -2.352 447 HB VAL 56 HB VAL 56 -4.583 3.867 -0.985 448 HG11 VAL 56 HG11 VAL 56 -6.289 2.390 -0.270 449 HG12 VAL 56 HG12 VAL 56 -4.735 1.560 -0.093 450 HG13 VAL 56 HG13 VAL 56 -5.801 1.163 -1.440 451 HG21 VAL 56 HG21 VAL 56 -3.662 1.653 -2.807 452 HG22 VAL 56 HG22 VAL 56 -2.837 2.209 -1.347 453 HG23 VAL 56 HG23 VAL 56 -3.005 3.286 -2.734 454 H LYS 57 HN LYS 57 -5.348 5.948 -2.175 455 HA LYS 57 HA LYS 57 -3.909 6.524 -4.675 456 HB2 LYS 57 HB2 LYS 57 -5.000 8.366 -2.539 457 HB3 LYS 57 HB1 LYS 57 -4.122 8.910 -3.963 458 HG2 LYS 57 HG2 LYS 57 -5.779 8.148 -5.409 459 HG3 LYS 57 HG1 LYS 57 -6.622 7.272 -4.133 460 HD2 LYS 57 HD2 LYS 57 -6.969 9.520 -3.015 461 HD3 LYS 57 HD1 LYS 57 -6.386 10.249 -4.516 462 HE2 LYS 57 HE2 LYS 57 -8.129 9.052 -5.754 463 HE3 LYS 57 HE1 LYS 57 -8.731 8.386 -4.237 464 HZ1 LYS 57 HZ1 LYS 57 -9.296 10.628 -3.523 465 HZ2 LYS 57 HZ2 LYS 57 -9.988 10.268 -5.034 466 HZ3 LYS 57 HZ3 LYS 57 -8.657 11.257 -4.969 467 H ALA 58 HN ALA 58 -1.971 7.992 -4.410 468 HA ALA 58 HA ALA 58 -0.031 6.702 -2.857 469 HB1 ALA 58 HB1 ALA 58 0.123 9.474 -4.018 470 HB2 ALA 58 HB2 ALA 58 0.381 7.987 -4.910 471 HB3 ALA 58 HB3 ALA 58 1.486 8.423 -3.598 472 H ASP 59 HN ASP 59 -1.988 9.494 -2.293 473 HA ASP 59 HA ASP 59 -0.644 10.569 -0.005 474 HB2 ASP 59 HB2 ASP 59 -3.520 10.941 -0.843 475 HB3 ASP 59 HB1 ASP 59 -2.612 11.966 0.256 476 H ARG 60 HN ARG 60 -2.661 7.907 -0.489 477 HA ARG 60 HA ARG 60 -3.892 8.011 2.167 478 HB2 ARG 60 HB2 ARG 60 -5.092 7.434 -0.128 479 HB3 ARG 60 HB1 ARG 60 -4.360 5.874 0.103 480 HG2 ARG 60 HG2 ARG 60 -6.612 5.851 0.944 481 HG3 ARG 60 HG1 ARG 60 -5.475 5.675 2.286 482 HD2 ARG 60 HD2 ARG 60 -5.690 8.042 2.812 483 HD3 ARG 60 HD1 ARG 60 -6.761 8.262 1.433 484 HE ARG 60 HE ARG 60 -7.682 6.309 3.236 485 HH11 ARG 60 HH11 ARG 60 -7.327 9.795 2.820 486 HH12 ARG 60 HH12 ARG 60 -8.721 10.221 3.695 487 HH21 ARG 60 HH21 ARG 60 -9.697 6.894 4.443 488 HH22 ARG 60 HH22 ARG 60 -10.094 8.536 4.603 489 H ILE 61 HN ILE 61 -1.111 7.082 0.915 490 HA ILE 61 HA ILE 61 -0.901 4.596 2.434 491 HB ILE 61 HB ILE 61 0.729 5.612 0.079 492 HG12 ILE 61 HG12 ILE 61 -1.298 3.385 0.241 493 HG13 ILE 61 HG11 ILE 61 -1.497 4.918 -0.599 494 HG21 ILE 61 HG21 ILE 61 2.083 4.250 1.578 495 HG22 ILE 61 HG22 ILE 61 1.759 3.413 0.054 496 HG23 ILE 61 HG23 ILE 61 0.861 2.975 1.505 497 HD11 ILE 61 HD11 ILE 61 -1.001 3.133 -2.148 498 HD12 ILE 61 HD12 ILE 61 0.471 2.757 -1.267 499 HD13 ILE 61 HD13 ILE 61 0.326 4.301 -2.127 500 H ILE 62 HN ILE 62 0.876 4.403 3.788 501 HA ILE 62 HA ILE 62 2.463 6.831 4.235 502 HB ILE 62 HB ILE 62 2.403 4.371 5.993 503 HG12 ILE 62 HG12 ILE 62 1.230 5.788 7.719 504 HG13 ILE 62 HG11 ILE 62 0.822 6.933 6.429 505 HG21 ILE 62 HG21 ILE 62 3.556 5.754 7.649 506 HG22 ILE 62 HG22 ILE 62 3.530 7.098 6.506 507 HG23 ILE 62 HG23 ILE 62 4.428 5.637 6.114 508 HD11 ILE 62 HD11 ILE 62 -1.052 5.510 6.943 509 HD12 ILE 62 HD12 ILE 62 -0.052 4.070 6.771 510 HD13 ILE 62 HD13 ILE 62 -0.436 5.058 5.349 511 H TRP 63 HN TRP 63 4.086 6.635 2.868 512 HA TRP 63 HA TRP 63 5.089 4.130 2.087 513 HB2 TRP 63 HB2 TRP 63 6.030 6.946 1.495 514 HB3 TRP 63 HB1 TRP 63 6.781 5.507 0.802 515 HD1 TRP 63 HD1 TRP 63 3.591 7.605 0.590 516 HE1 TRP 63 HE1 TRP 63 2.254 6.869 -1.465 517 HE3 TRP 63 HE3 TRP 63 6.380 3.541 -0.743 518 HZ2 TRP 63 HZ2 TRP 63 2.374 4.809 -3.427 519 HZ3 TRP 63 HZ3 TRP 63 5.709 2.238 -2.719 520 HH2 TRP 63 HH2 TRP 63 3.755 2.846 -4.024 521 HA PRO 64 HA PRO 64 8.195 3.748 5.165 522 HB2 PRO 64 HB2 PRO 64 9.925 2.246 3.337 523 HB3 PRO 64 HB1 PRO 64 9.010 1.670 4.734 524 HG2 PRO 64 HG2 PRO 64 8.311 0.995 2.226 525 HG3 PRO 64 HG1 PRO 64 7.127 1.273 3.527 526 HD2 PRO 64 HD2 PRO 64 8.003 3.159 1.365 527 HD3 PRO 64 HD1 PRO 64 6.357 2.715 1.868 528 H LEU 65 HN LEU 65 10.737 3.778 5.279 529 HA LEU 65 HA LEU 65 12.463 5.010 5.467 530 HB2 LEU 65 HB2 LEU 65 13.756 5.744 3.473 531 HB3 LEU 65 HB1 LEU 65 13.396 4.042 3.622 532 HG LEU 65 HG LEU 65 11.579 5.666 1.944 533 HD11 LEU 65 HD11 LEU 65 13.842 6.443 1.423 534 HD12 LEU 65 HD12 LEU 65 13.144 5.516 0.080 535 HD13 LEU 65 HD13 LEU 65 14.350 4.774 1.149 536 HD21 LEU 65 HD21 LEU 65 12.884 3.004 1.588 537 HD22 LEU 65 HD22 LEU 65 11.369 3.599 0.825 538 HD23 LEU 65 HD23 LEU 65 11.492 3.330 2.593 539 H ASP 66 HN ASP 66 12.246 6.749 6.585 540 HA ASP 66 HA ASP 66 12.598 8.964 7.065 541 HB2 ASP 66 HB2 ASP 66 13.667 9.029 4.689 542 HB3 ASP 66 HB1 ASP 66 12.114 9.677 4.205 543 H LYS 67 HN LYS 67 10.065 8.184 4.875 544 HA LYS 67 HA LYS 67 8.270 10.280 5.581 545 HB2 LYS 67 HB2 LYS 67 8.399 8.741 3.452 546 HB3 LYS 67 HB1 LYS 67 7.519 7.588 4.425 547 HG2 LYS 67 HG2 LYS 67 6.534 10.344 3.671 548 HG3 LYS 67 HG1 LYS 67 6.101 8.857 2.853 549 HD2 LYS 67 HD2 LYS 67 5.096 8.043 4.970 550 HD3 LYS 67 HD1 LYS 67 5.447 9.603 5.710 551 HE2 LYS 67 HE2 LYS 67 3.642 9.062 3.343 552 HE3 LYS 67 HE1 LYS 67 3.142 9.556 4.955 553 HZ1 LYS 67 HZ1 LYS 67 4.292 11.707 4.570 554 HZ2 LYS 67 HZ2 LYS 67 3.084 11.407 3.466 555 HZ3 LYS 67 HZ3 LYS 67 4.673 11.210 3.001 556 H GLY 68 HN GLY 68 7.926 10.332 7.745 557 HA2 GLY 68 HA2 GLY 68 6.662 7.992 8.984 558 HA3 GLY 68 HA1 GLY 68 7.997 8.809 9.795 559 H LEU 69 HN LEU 69 5.630 10.355 7.859 560 HA LEU 69 HA LEU 69 3.945 11.721 8.164 561 HB2 LEU 69 HB2 LEU 69 4.054 10.542 10.831 562 HB3 LEU 69 HB1 LEU 69 2.956 11.913 10.590 563 HG LEU 69 HG LEU 69 1.631 9.946 10.468 564 HD11 LEU 69 HD11 LEU 69 2.226 10.696 7.625 565 HD12 LEU 69 HD12 LEU 69 1.097 11.494 8.715 566 HD13 LEU 69 HD13 LEU 69 0.800 9.834 8.203 567 HD21 LEU 69 HD21 LEU 69 3.386 8.273 10.292 568 HD22 LEU 69 HD22 LEU 69 3.682 8.733 8.615 569 HD23 LEU 69 HD23 LEU 69 2.150 7.990 9.064 570 H GLU 70 HN GLU 70 4.562 13.544 7.692 571 HA GLU 70 HA GLU 70 6.569 15.039 8.720 572 HB2 GLU 70 HB2 GLU 70 5.535 16.947 7.461 573 HB3 GLU 70 HB1 GLU 70 5.805 15.476 6.540 574 HG2 GLU 70 HG2 GLU 70 3.509 14.852 7.023 575 HG3 GLU 70 HG1 GLU 70 3.258 16.462 7.701 576 H HIS 71 HN HIS 71 6.744 15.555 10.763 577 HA HIS 71 HA HIS 71 4.910 17.464 11.942 578 HB2 HIS 71 HB2 HIS 71 5.767 14.889 13.320 579 HB3 HIS 71 HB1 HIS 71 5.062 16.250 14.168 580 HD1 HIS 71 HD1 HIS 71 4.184 13.111 12.922 581 HD2 HIS 71 HD2 HIS 71 2.315 16.810 12.922 582 HE1 HIS 71 HE1 HIS 71 1.744 12.630 12.535 583 HE2 HIS 71 HE2 HIS 71 0.632 14.834 12.886 584 H HIS 72 HN HIS 72 6.044 18.782 13.474 585 HA HIS 72 HA HIS 72 8.834 18.896 12.811 586 HB2 HIS 72 HB2 HIS 72 7.568 20.995 12.984 587 HB3 HIS 72 HB1 HIS 72 7.258 20.680 14.686 588 HD1 HIS 72 HD1 HIS 72 10.339 21.049 12.439 589 HD2 HIS 72 HD2 HIS 72 9.084 21.911 16.310 590 HE1 HIS 72 HE1 HIS 72 12.252 22.206 13.532 591 HE2 HIS 72 HE2 HIS 72 11.589 22.417 15.909 592 H HIS 73 HN HIS 73 7.001 17.670 15.438 593 HA HIS 73 HA HIS 73 9.321 17.421 17.145 594 HB2 HIS 73 HB2 HIS 73 6.939 17.659 18.029 595 HB3 HIS 73 HB1 HIS 73 6.653 16.012 17.474 596 HD1 HIS 73 HD1 HIS 73 7.077 14.241 19.170 597 HD2 HIS 73 HD2 HIS 73 9.107 17.750 20.047 598 HE1 HIS 73 HE1 HIS 73 8.194 13.840 21.382 599 HE2 HIS 73 HE2 HIS 73 9.223 16.051 21.981 600 H HIS 74 HN HIS 74 8.608 16.066 14.388 601 HA HIS 74 HA HIS 74 9.753 13.472 15.074 602 HB2 HIS 74 HB2 HIS 74 7.501 13.334 13.990 603 HB3 HIS 74 HB1 HIS 74 8.124 14.256 12.631 604 HD1 HIS 74 HD1 HIS 74 8.312 10.873 14.228 605 HD2 HIS 74 HD2 HIS 74 9.539 12.780 10.752 606 HE1 HIS 74 HE1 HIS 74 9.074 9.043 12.679 607 HE2 HIS 74 HE2 HIS 74 10.152 10.284 10.796 608 H HIS 75 HN HIS 75 11.784 14.480 15.185 609 HA HIS 75 HA HIS 75 12.733 15.388 12.594 610 HB2 HIS 75 HB2 HIS 75 12.787 17.182 14.288 611 HB3 HIS 75 HB1 HIS 75 13.854 16.195 15.282 612 HD1 HIS 75 HD1 HIS 75 13.833 17.672 11.771 613 HD2 HIS 75 HD2 HIS 75 16.502 16.648 14.795 614 HE1 HIS 75 HE1 HIS 75 16.078 18.313 10.918 615 HE2 HIS 75 HE2 HIS 75 17.705 17.624 12.717 616 H HIS 76 HN HIS 76 13.778 14.033 11.592 617 HA HIS 76 HA HIS 76 15.849 12.529 12.951 618 HB2 HIS 76 HB2 HIS 76 14.030 10.973 12.450 619 HB3 HIS 76 HB1 HIS 76 13.957 11.555 10.795 620 HD1 HIS 76 HD1 HIS 76 15.352 10.310 9.144 621 HD2 HIS 76 HD2 HIS 76 16.525 9.545 13.041 622 HE1 HIS 76 HE1 HIS 76 17.041 8.459 8.987 623 HE2 HIS 76 HE2 HIS 76 18.007 8.400 11.288 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 21.609 -0.173 -9.253 2 H2 GLU 1 HT2 GLU 1 22.402 0.711 -10.466 3 H3 GLU 1 HT3 GLU 1 21.636 -0.772 -10.824 4 HA GLU 1 HA GLU 1 20.265 1.612 -9.793 5 HB2 GLU 1 HB2 GLU 1 20.480 0.586 -12.639 6 HB3 GLU 1 HB1 GLU 1 19.228 1.699 -12.119 7 HG2 GLU 1 HG2 GLU 1 20.933 2.965 -13.206 8 HG3 GLU 1 HG1 GLU 1 21.024 3.315 -11.488 9 H ASP 2 HN ASP 2 18.060 1.371 -9.525 10 HA ASP 2 HA ASP 2 17.068 -1.389 -9.782 11 HB2 ASP 2 HB2 ASP 2 16.623 0.531 -7.492 12 HB3 ASP 2 HB1 ASP 2 15.665 -0.914 -7.745 13 H MET 3 HN MET 3 15.001 -1.581 -10.472 14 HA MET 3 HA MET 3 13.383 0.829 -10.707 15 HB2 MET 3 HB2 MET 3 12.630 0.257 -12.952 16 HB3 MET 3 HB1 MET 3 14.378 0.418 -12.968 17 HG2 MET 3 HG2 MET 3 14.654 -1.981 -13.039 18 HG3 MET 3 HG1 MET 3 12.927 -2.218 -12.790 19 HE1 MET 3 HE1 MET 3 14.682 -0.381 -16.660 20 HE2 MET 3 HE2 MET 3 15.681 -0.920 -15.316 21 HE3 MET 3 HE3 MET 3 14.612 0.472 -15.118 22 H GLU 4 HN GLU 4 11.322 0.448 -10.122 23 HA GLU 4 HA GLU 4 10.675 -2.230 -9.298 24 HB2 GLU 4 HB2 GLU 4 8.999 0.294 -9.194 25 HB3 GLU 4 HB1 GLU 4 8.583 -1.240 -8.457 26 HG2 GLU 4 HG2 GLU 4 9.338 0.078 -6.680 27 HG3 GLU 4 HG1 GLU 4 10.711 -0.950 -7.092 28 HA PRO 5 HA PRO 5 8.806 -3.375 -13.173 29 HB2 PRO 5 HB2 PRO 5 6.585 -4.514 -11.536 30 HB3 PRO 5 HB1 PRO 5 7.582 -5.286 -12.780 31 HG2 PRO 5 HG2 PRO 5 7.977 -5.823 -10.200 32 HG3 PRO 5 HG1 PRO 5 9.333 -5.692 -11.327 33 HD2 PRO 5 HD2 PRO 5 8.391 -3.756 -9.260 34 HD3 PRO 5 HD1 PRO 5 10.042 -4.123 -9.802 35 H CYS 6 HN CYS 6 6.245 -2.681 -10.873 36 HA CYS 6 HA CYS 6 5.620 -0.208 -12.190 37 HB2 CYS 6 HB2 CYS 6 3.136 -0.792 -12.247 38 HB3 CYS 6 HB1 CYS 6 4.123 -1.551 -13.487 39 HG CYS 6 HG CYS 6 4.204 -3.766 -11.257 40 H LEU 7 HN LEU 7 6.890 -0.430 -10.028 41 HA LEU 7 HA LEU 7 7.132 0.275 -7.930 42 HB2 LEU 7 HB2 LEU 7 4.197 1.020 -8.108 43 HB3 LEU 7 HB1 LEU 7 5.153 1.320 -6.674 44 HG LEU 7 HG LEU 7 6.657 2.777 -8.107 45 HD11 LEU 7 HD11 LEU 7 5.756 3.677 -10.193 46 HD12 LEU 7 HD12 LEU 7 4.433 2.510 -10.120 47 HD13 LEU 7 HD13 LEU 7 6.087 1.948 -10.309 48 HD21 LEU 7 HD21 LEU 7 3.779 3.601 -7.882 49 HD22 LEU 7 HD22 LEU 7 5.158 4.683 -8.074 50 HD23 LEU 7 HD23 LEU 7 4.993 3.719 -6.606 51 H THR 8 HN THR 8 5.904 -2.308 -8.827 52 HA THR 8 HA THR 8 4.456 -3.607 -6.874 53 HB THR 8 HB THR 8 6.446 -4.930 -8.662 54 HG1 THR 8 HG1 THR 8 3.923 -3.889 -9.415 55 HG21 THR 8 HG21 THR 8 4.552 -6.504 -8.908 56 HG22 THR 8 HG22 THR 8 3.588 -5.398 -7.914 57 HG23 THR 8 HG23 THR 8 4.945 -6.256 -7.190 58 H GLY 9 HN GLY 9 5.038 -4.706 -5.071 59 HA2 GLY 9 HA2 GLY 9 6.476 -6.194 -3.890 60 HA3 GLY 9 HA1 GLY 9 7.855 -5.446 -4.682 61 H THR 10 HN THR 10 6.600 -2.785 -4.087 62 HA THR 10 HA THR 10 8.029 -2.215 -1.739 63 HB THR 10 HB THR 10 5.761 -0.606 -2.832 64 HG1 THR 10 HG1 THR 10 6.912 -0.658 -4.663 65 HG21 THR 10 HG21 THR 10 8.374 0.167 -1.505 66 HG22 THR 10 HG22 THR 10 6.773 0.231 -0.773 67 HG23 THR 10 HG23 THR 10 7.175 1.310 -2.110 68 H LYS 11 HN LYS 11 7.435 -2.711 0.240 69 HA LYS 11 HA LYS 11 4.640 -3.278 0.836 70 HB2 LYS 11 HB2 LYS 11 6.948 -3.552 2.779 71 HB3 LYS 11 HB1 LYS 11 5.355 -4.298 2.865 72 HG2 LYS 11 HG2 LYS 11 5.912 -5.645 0.865 73 HG3 LYS 11 HG1 LYS 11 7.532 -4.958 0.892 74 HD2 LYS 11 HD2 LYS 11 7.644 -5.857 3.315 75 HD3 LYS 11 HD1 LYS 11 6.231 -6.812 2.854 76 HE2 LYS 11 HE2 LYS 11 8.905 -6.859 1.478 77 HE3 LYS 11 HE1 LYS 11 8.285 -8.094 2.569 78 HZ1 LYS 11 HZ1 LYS 11 7.112 -7.354 -0.064 79 HZ2 LYS 11 HZ2 LYS 11 6.525 -8.559 0.954 80 HZ3 LYS 11 HZ3 LYS 11 8.042 -8.696 0.263 81 H VAL 12 HN VAL 12 3.430 -1.789 1.581 82 HA VAL 12 HA VAL 12 4.634 0.611 2.761 83 HB VAL 12 HB VAL 12 2.811 1.907 1.677 84 HG11 VAL 12 HG11 VAL 12 3.743 1.873 -0.592 85 HG12 VAL 12 HG12 VAL 12 4.535 0.341 -0.234 86 HG13 VAL 12 HG13 VAL 12 5.011 1.800 0.633 87 HG21 VAL 12 HG21 VAL 12 2.239 -0.680 0.212 88 HG22 VAL 12 HG22 VAL 12 1.519 0.886 -0.156 89 HG23 VAL 12 HG23 VAL 12 1.181 0.100 1.385 90 H LYS 13 HN LYS 13 2.689 1.945 3.708 91 HA LYS 13 HA LYS 13 1.073 0.118 5.324 92 HB2 LYS 13 HB2 LYS 13 3.033 1.339 6.409 93 HB3 LYS 13 HB1 LYS 13 2.153 2.809 6.035 94 HG2 LYS 13 HG2 LYS 13 0.354 2.142 7.484 95 HG3 LYS 13 HG1 LYS 13 1.185 0.636 7.875 96 HD2 LYS 13 HD2 LYS 13 3.111 1.982 8.615 97 HD3 LYS 13 HD1 LYS 13 2.115 3.439 8.444 98 HE2 LYS 13 HE2 LYS 13 1.768 2.952 10.672 99 HE3 LYS 13 HE1 LYS 13 0.479 2.028 9.883 100 HZ1 LYS 13 HZ1 LYS 13 3.062 0.965 10.826 101 HZ2 LYS 13 HZ2 LYS 13 1.967 0.021 10.002 102 HZ3 LYS 13 HZ3 LYS 13 1.573 0.670 11.516 103 H VAL 14 HN VAL 14 -1.070 0.786 5.462 104 HA VAL 14 HA VAL 14 -1.792 3.035 3.713 105 HB VAL 14 HB VAL 14 -3.300 0.414 3.993 106 HG11 VAL 14 HG11 VAL 14 -4.627 1.210 2.090 107 HG12 VAL 14 HG12 VAL 14 -3.738 2.737 2.150 108 HG13 VAL 14 HG13 VAL 14 -4.767 2.270 3.499 109 HG21 VAL 14 HG21 VAL 14 -1.606 1.379 1.688 110 HG22 VAL 14 HG22 VAL 14 -2.599 -0.081 1.703 111 HG23 VAL 14 HG23 VAL 14 -1.216 0.056 2.786 112 H LYS 15 HN LYS 15 -3.396 4.329 4.425 113 HA LYS 15 HA LYS 15 -4.597 3.778 7.057 114 HB2 LYS 15 HB2 LYS 15 -2.822 5.474 7.170 115 HB3 LYS 15 HB1 LYS 15 -3.604 6.361 5.863 116 HG2 LYS 15 HG2 LYS 15 -5.529 6.776 7.318 117 HG3 LYS 15 HG1 LYS 15 -4.740 5.909 8.627 118 HD2 LYS 15 HD2 LYS 15 -3.646 8.379 7.282 119 HD3 LYS 15 HD1 LYS 15 -4.516 8.367 8.813 120 HE2 LYS 15 HE2 LYS 15 -2.760 6.941 9.785 121 HE3 LYS 15 HE1 LYS 15 -1.901 6.962 8.249 122 HZ1 LYS 15 HZ1 LYS 15 -2.478 9.358 9.902 123 HZ2 LYS 15 HZ2 LYS 15 -1.598 9.324 8.452 124 HZ3 LYS 15 HZ3 LYS 15 -1.009 8.558 9.812 125 H TYR 16 HN TYR 16 -6.713 3.318 6.423 126 HA TYR 16 HA TYR 16 -7.909 5.119 4.412 127 HB2 TYR 16 HB2 TYR 16 -6.956 2.790 3.620 128 HB3 TYR 16 HB1 TYR 16 -8.427 2.175 4.346 129 HD1 TYR 16 HD1 TYR 16 -10.282 4.465 3.506 130 HD2 TYR 16 HD2 TYR 16 -7.320 2.268 1.418 131 HE1 TYR 16 HE1 TYR 16 -11.445 4.934 1.385 132 HE2 TYR 16 HE2 TYR 16 -8.472 2.728 -0.720 133 HH TYR 16 HH TYR 16 -10.727 3.299 -1.456 134 H GLY 17 HN GLY 17 -9.718 5.968 5.445 135 HA2 GLY 17 HA2 GLY 17 -11.802 4.325 6.120 136 HA3 GLY 17 HA1 GLY 17 -11.057 4.751 7.635 137 H ARG 18 HN ARG 18 -13.506 5.467 7.409 138 HA ARG 18 HA ARG 18 -13.426 8.309 6.755 139 HB2 ARG 18 HB2 ARG 18 -15.828 8.207 6.220 140 HB3 ARG 18 HB1 ARG 18 -14.915 7.114 5.205 141 HG2 ARG 18 HG2 ARG 18 -15.636 5.234 6.698 142 HG3 ARG 18 HG1 ARG 18 -16.643 6.366 7.568 143 HD2 ARG 18 HD2 ARG 18 -17.764 6.919 5.400 144 HD3 ARG 18 HD1 ARG 18 -16.861 5.594 4.664 145 HE ARG 18 HE ARG 18 -18.852 5.339 6.807 146 HH11 ARG 18 HH11 ARG 18 -17.028 3.807 4.148 147 HH12 ARG 18 HH12 ARG 18 -18.003 2.427 4.119 148 HH21 ARG 18 HH21 ARG 18 -20.163 3.409 6.740 149 HH22 ARG 18 HH22 ARG 18 -19.800 2.190 5.619 150 H GLY 19 HN GLY 19 -13.168 9.333 8.585 151 HA2 GLY 19 HA2 GLY 19 -13.814 10.238 10.595 152 HA3 GLY 19 HA1 GLY 19 -15.141 9.085 10.661 153 H LYS 20 HN LYS 20 -14.988 7.477 12.054 154 HA LYS 20 HA LYS 20 -12.470 7.192 13.472 155 HB2 LYS 20 HB2 LYS 20 -14.563 7.613 14.751 156 HB3 LYS 20 HB1 LYS 20 -15.208 6.096 14.154 157 HG2 LYS 20 HG2 LYS 20 -13.492 4.864 15.320 158 HG3 LYS 20 HG1 LYS 20 -12.743 6.366 15.852 159 HD2 LYS 20 HD2 LYS 20 -14.788 6.926 17.087 160 HD3 LYS 20 HD1 LYS 20 -15.502 5.401 16.570 161 HE2 LYS 20 HE2 LYS 20 -14.603 5.237 18.839 162 HE3 LYS 20 HE1 LYS 20 -13.741 4.170 17.732 163 HZ1 LYS 20 HZ1 LYS 20 -12.280 5.392 19.269 164 HZ2 LYS 20 HZ2 LYS 20 -12.781 6.848 18.587 165 HZ3 LYS 20 HZ3 LYS 20 -11.928 5.740 17.657 166 H THR 21 HN THR 21 -14.132 5.701 10.982 167 HA THR 21 HA THR 21 -13.345 2.970 11.550 168 HB THR 21 HB THR 21 -14.220 2.496 9.270 169 HG1 THR 21 HG1 THR 21 -15.107 5.166 9.109 170 HG21 THR 21 HG21 THR 21 -16.023 4.220 10.954 171 HG22 THR 21 HG22 THR 21 -15.827 2.462 11.100 172 HG23 THR 21 HG23 THR 21 -16.544 3.173 9.645 173 H GLN 22 HN GLN 22 -11.249 4.909 11.476 174 HA GLN 22 HA GLN 22 -9.841 4.615 8.953 175 HB2 GLN 22 HB2 GLN 22 -9.887 6.696 10.536 176 HB3 GLN 22 HB1 GLN 22 -8.694 5.787 11.451 177 HG2 GLN 22 HG2 GLN 22 -7.293 5.634 9.447 178 HG3 GLN 22 HG1 GLN 22 -8.468 6.604 8.566 179 HE21 GLN 22 HE21 GLN 22 -7.154 8.294 8.169 180 HE22 GLN 22 HE22 GLN 22 -6.554 9.350 9.403 181 H LYS 23 HN LYS 23 -9.215 2.653 8.635 182 HA LYS 23 HA LYS 23 -7.791 1.385 10.811 183 HB2 LYS 23 HB2 LYS 23 -8.006 -0.789 9.512 184 HB3 LYS 23 HB1 LYS 23 -9.522 -0.119 10.058 185 HG2 LYS 23 HG2 LYS 23 -8.617 0.396 7.275 186 HG3 LYS 23 HG1 LYS 23 -9.310 -1.164 7.716 187 HD2 LYS 23 HD2 LYS 23 -11.260 0.057 8.667 188 HD3 LYS 23 HD1 LYS 23 -10.592 1.547 8.001 189 HE2 LYS 23 HE2 LYS 23 -11.256 -0.901 6.452 190 HE3 LYS 23 HE1 LYS 23 -12.353 0.478 6.606 191 HZ1 LYS 23 HZ1 LYS 23 -11.243 0.737 4.549 192 HZ2 LYS 23 HZ2 LYS 23 -9.748 0.335 5.144 193 HZ3 LYS 23 HZ3 LYS 23 -10.451 1.812 5.582 194 H ILE 24 HN ILE 24 -5.767 1.083 10.773 195 HA ILE 24 HA ILE 24 -4.351 1.810 8.338 196 HB ILE 24 HB ILE 24 -3.396 1.964 11.236 197 HG12 ILE 24 HG12 ILE 24 -3.028 4.416 10.689 198 HG13 ILE 24 HG11 ILE 24 -3.885 4.143 9.184 199 HG21 ILE 24 HG21 ILE 24 -1.309 2.892 10.342 200 HG22 ILE 24 HG22 ILE 24 -1.865 2.516 8.708 201 HG23 ILE 24 HG23 ILE 24 -1.584 1.216 9.866 202 HD11 ILE 24 HD11 ILE 24 -5.912 3.612 10.446 203 HD12 ILE 24 HD12 ILE 24 -5.306 5.215 10.865 204 HD13 ILE 24 HD13 ILE 24 -5.044 3.857 11.956 205 H TYR 25 HN TYR 25 -3.530 0.253 7.342 206 HA TYR 25 HA TYR 25 -2.625 -2.126 8.708 207 HB2 TYR 25 HB2 TYR 25 -3.702 -3.396 6.638 208 HB3 TYR 25 HB1 TYR 25 -4.603 -3.105 8.110 209 HD1 TYR 25 HD2 TYR 25 -4.110 -0.345 5.649 210 HD2 TYR 25 HD1 TYR 25 -6.694 -3.452 6.975 211 HE1 TYR 25 HE2 TYR 25 -5.976 0.632 4.324 212 HE2 TYR 25 HE1 TYR 25 -8.530 -2.486 5.688 213 HH TYR 25 HH TYR 25 -8.149 -0.251 3.262 214 H GLU 26 HN GLU 26 -1.328 -3.530 7.227 215 HA GLU 26 HA GLU 26 0.138 -1.735 5.460 216 HB2 GLU 26 HB2 GLU 26 1.243 -3.826 7.331 217 HB3 GLU 26 HB1 GLU 26 2.197 -3.096 6.038 218 HG2 GLU 26 HG2 GLU 26 1.869 -0.924 6.954 219 HG3 GLU 26 HG1 GLU 26 0.832 -1.555 8.230 220 H ALA 27 HN ALA 27 0.876 -2.385 3.538 221 HA ALA 27 HA ALA 27 -0.032 -4.962 2.548 222 HB1 ALA 27 HB1 ALA 27 -1.934 -3.390 2.336 223 HB2 ALA 27 HB2 ALA 27 -1.366 -3.997 0.800 224 HB3 ALA 27 HB3 ALA 27 -0.971 -2.363 1.276 225 H SER 28 HN SER 28 0.400 -4.782 -0.041 226 HA SER 28 HA SER 28 3.017 -3.570 -0.413 227 HB2 SER 28 HB2 SER 28 3.804 -5.682 -1.514 228 HB3 SER 28 HB1 SER 28 3.561 -5.830 0.227 229 HG SER 28 HG SER 28 1.381 -6.638 -0.409 230 H ILE 29 HN ILE 29 3.288 -2.745 -2.359 231 HA ILE 29 HA ILE 29 0.993 -2.244 -3.962 232 HB ILE 29 HB ILE 29 3.891 -1.774 -4.641 233 HG12 ILE 29 HG12 ILE 29 3.317 -0.630 -2.528 234 HG13 ILE 29 HG11 ILE 29 3.603 0.525 -3.817 235 HG21 ILE 29 HG21 ILE 29 1.383 -0.606 -5.771 236 HG22 ILE 29 HG22 ILE 29 2.522 -1.706 -6.565 237 HG23 ILE 29 HG23 ILE 29 3.019 -0.048 -6.177 238 HD11 ILE 29 HD11 ILE 29 1.148 0.786 -4.053 239 HD12 ILE 29 HD12 ILE 29 1.760 1.232 -2.467 240 HD13 ILE 29 HD13 ILE 29 0.930 -0.297 -2.679 241 H LYS 30 HN LYS 30 0.218 -3.355 -5.676 242 HA LYS 30 HA LYS 30 1.980 -5.348 -6.850 243 HB2 LYS 30 HB2 LYS 30 -0.608 -5.668 -6.103 244 HB3 LYS 30 HB1 LYS 30 -0.852 -5.156 -7.765 245 HG2 LYS 30 HG2 LYS 30 0.834 -7.516 -6.892 246 HG3 LYS 30 HG1 LYS 30 -0.797 -7.612 -7.538 247 HD2 LYS 30 HD2 LYS 30 1.490 -6.395 -9.076 248 HD3 LYS 30 HD1 LYS 30 1.122 -8.116 -9.129 249 HE2 LYS 30 HE2 LYS 30 -0.828 -5.921 -9.844 250 HE3 LYS 30 HE1 LYS 30 0.160 -6.800 -11.011 251 HZ1 LYS 30 HZ1 LYS 30 -1.854 -8.055 -9.206 252 HZ2 LYS 30 HZ2 LYS 30 -0.923 -8.840 -10.337 253 HZ3 LYS 30 HZ3 LYS 30 -2.079 -7.724 -10.837 254 H SER 31 HN SER 31 -0.438 -2.904 -7.949 255 HA SER 31 HA SER 31 1.413 -2.012 -9.987 256 HB2 SER 31 HB2 SER 31 -1.353 -3.058 -10.665 257 HB3 SER 31 HB1 SER 31 -0.260 -2.253 -11.792 258 HG SER 31 HG SER 31 1.231 -3.962 -11.400 259 H THR 32 HN THR 32 0.497 -0.016 -11.094 260 HA THR 32 HA THR 32 -1.407 1.408 -9.366 261 HB THR 32 HB THR 32 0.908 2.817 -10.617 262 HG1 THR 32 HG1 THR 32 1.945 1.229 -9.346 263 HG21 THR 32 HG21 THR 32 -0.695 3.237 -8.130 264 HG22 THR 32 HG22 THR 32 -0.920 4.042 -9.682 265 HG23 THR 32 HG23 THR 32 0.560 4.307 -8.752 266 H GLU 33 HN GLU 33 -2.637 2.949 -10.524 267 HA GLU 33 HA GLU 33 -1.913 3.615 -13.206 268 HB2 GLU 33 HB2 GLU 33 -3.926 3.027 -14.248 269 HB3 GLU 33 HB1 GLU 33 -3.204 1.610 -13.431 270 HG2 GLU 33 HG2 GLU 33 -4.846 1.648 -11.742 271 HG3 GLU 33 HG1 GLU 33 -5.492 3.189 -12.309 272 H ILE 34 HN ILE 34 -3.459 5.257 -14.086 273 HA ILE 34 HA ILE 34 -4.235 6.966 -11.854 274 HB ILE 34 HB ILE 34 -3.277 7.719 -14.619 275 HG12 ILE 34 HG12 ILE 34 -1.500 9.020 -13.367 276 HG13 ILE 34 HG11 ILE 34 -2.129 8.295 -11.892 277 HG21 ILE 34 HG21 ILE 34 -4.303 9.576 -12.476 278 HG22 ILE 34 HG22 ILE 34 -5.075 9.223 -14.019 279 HG23 ILE 34 HG23 ILE 34 -3.539 10.090 -13.982 280 HD11 ILE 34 HD11 ILE 34 -0.101 7.181 -12.611 281 HD12 ILE 34 HD12 ILE 34 -0.850 6.812 -14.176 282 HD13 ILE 34 HD13 ILE 34 -1.496 6.101 -12.706 283 H ASP 35 HN ASP 35 -6.267 7.590 -11.767 284 HA ASP 35 HA ASP 35 -7.964 7.340 -14.134 285 HB2 ASP 35 HB2 ASP 35 -8.445 5.304 -12.904 286 HB3 ASP 35 HB1 ASP 35 -8.680 6.215 -11.415 287 H ASP 36 HN ASP 36 -8.697 9.216 -14.519 288 HA ASP 36 HA ASP 36 -9.732 11.198 -14.418 289 HB2 ASP 36 HB2 ASP 36 -11.408 9.771 -13.101 290 HB3 ASP 36 HB1 ASP 36 -10.703 10.476 -11.656 291 H GLY 37 HN GLY 37 -7.048 10.804 -13.270 292 HA2 GLY 37 HA2 GLY 37 -5.608 12.684 -12.869 293 HA3 GLY 37 HA1 GLY 37 -6.930 13.454 -12.010 294 H GLU 38 HN GLU 38 -7.179 10.524 -10.741 295 HA GLU 38 HA GLU 38 -5.109 11.110 -8.778 296 HB2 GLU 38 HB2 GLU 38 -6.462 9.865 -7.101 297 HB3 GLU 38 HB1 GLU 38 -7.294 11.275 -7.723 298 HG2 GLU 38 HG2 GLU 38 -8.637 9.817 -9.166 299 HG3 GLU 38 HG1 GLU 38 -7.803 8.411 -8.503 300 H VAL 39 HN VAL 39 -3.911 9.414 -7.887 301 HA VAL 39 HA VAL 39 -3.492 7.312 -9.884 302 HB VAL 39 HB VAL 39 -1.631 7.950 -7.610 303 HG11 VAL 39 HG11 VAL 39 0.085 7.039 -9.161 304 HG12 VAL 39 HG12 VAL 39 -1.197 6.683 -10.316 305 HG13 VAL 39 HG13 VAL 39 -1.172 5.882 -8.769 306 HG21 VAL 39 HG21 VAL 39 -1.920 10.070 -8.700 307 HG22 VAL 39 HG22 VAL 39 -1.723 9.345 -10.282 308 HG23 VAL 39 HG23 VAL 39 -0.352 9.415 -9.173 309 H LEU 40 HN LEU 40 -4.197 5.421 -9.441 310 HA LEU 40 HA LEU 40 -4.837 4.729 -6.689 311 HB2 LEU 40 HB2 LEU 40 -6.047 3.767 -9.267 312 HB3 LEU 40 HB1 LEU 40 -6.480 3.190 -7.668 313 HG LEU 40 HG LEU 40 -6.867 5.992 -8.704 314 HD11 LEU 40 HD11 LEU 40 -9.239 5.462 -8.589 315 HD12 LEU 40 HD12 LEU 40 -8.849 3.804 -8.118 316 HD13 LEU 40 HD13 LEU 40 -8.393 4.398 -9.712 317 HD21 LEU 40 HD21 LEU 40 -6.392 5.988 -6.315 318 HD22 LEU 40 HD22 LEU 40 -7.612 4.753 -6.049 319 HD23 LEU 40 HD23 LEU 40 -8.086 6.362 -6.602 320 H TYR 41 HN TYR 41 -3.956 3.138 -5.866 321 HA TYR 41 HA TYR 41 -2.113 1.426 -7.374 322 HB2 TYR 41 HB2 TYR 41 -2.253 2.194 -4.460 323 HB3 TYR 41 HB1 TYR 41 -1.184 0.952 -5.087 324 HD1 TYR 41 HD2 TYR 41 -2.004 4.571 -5.453 325 HD2 TYR 41 HD1 TYR 41 0.916 1.520 -5.808 326 HE1 TYR 41 HE2 TYR 41 -0.287 6.261 -5.900 327 HE2 TYR 41 HE1 TYR 41 2.633 3.191 -6.229 328 HH TYR 41 HH TYR 41 2.816 5.376 -7.014 329 H LEU 42 HN LEU 42 -2.270 -0.729 -7.089 330 HA LEU 42 HA LEU 42 -4.592 -1.688 -5.586 331 HB2 LEU 42 HB2 LEU 42 -4.609 -2.362 -7.938 332 HB3 LEU 42 HB1 LEU 42 -2.984 -3.002 -7.786 333 HG LEU 42 HG LEU 42 -3.805 -4.712 -6.221 334 HD11 LEU 42 HD11 LEU 42 -5.712 -3.547 -5.271 335 HD12 LEU 42 HD12 LEU 42 -6.214 -5.084 -5.967 336 HD13 LEU 42 HD13 LEU 42 -6.529 -3.583 -6.831 337 HD21 LEU 42 HD21 LEU 42 -3.636 -5.219 -8.588 338 HD22 LEU 42 HD22 LEU 42 -5.273 -4.606 -8.844 339 HD23 LEU 42 HD23 LEU 42 -5.011 -6.050 -7.860 340 H VAL 43 HN VAL 43 -4.048 -2.367 -3.683 341 HA VAL 43 HA VAL 43 -1.308 -3.340 -3.339 342 HB VAL 43 HB VAL 43 -2.205 -1.067 -2.356 343 HG11 VAL 43 HG11 VAL 43 -2.873 -1.055 -0.103 344 HG12 VAL 43 HG12 VAL 43 -3.274 -2.776 -0.257 345 HG13 VAL 43 HG13 VAL 43 -4.061 -1.589 -1.277 346 HG21 VAL 43 HG21 VAL 43 -0.368 -2.835 -0.814 347 HG22 VAL 43 HG22 VAL 43 -0.508 -1.048 -0.683 348 HG23 VAL 43 HG23 VAL 43 -0.008 -1.811 -2.174 349 H HIS 44 HN HIS 44 -1.020 -5.096 -1.995 350 HA HIS 44 HA HIS 44 -3.484 -6.472 -1.173 351 HB2 HIS 44 HB2 HIS 44 -0.915 -7.710 -2.181 352 HB3 HIS 44 HB1 HIS 44 -2.221 -8.625 -1.444 353 HD1 HIS 44 HD1 HIS 44 -1.022 -7.753 -4.630 354 HD2 HIS 44 HD2 HIS 44 -4.781 -8.010 -2.935 355 HE1 HIS 44 HE1 HIS 44 -2.622 -7.910 -6.558 356 HE2 HIS 44 HE2 HIS 44 -4.906 -7.826 -5.477 357 H TYR 45 HN TYR 45 -3.695 -6.995 0.815 358 HA TYR 45 HA TYR 45 -1.771 -5.937 2.663 359 HB2 TYR 45 HB2 TYR 45 -4.538 -7.076 3.097 360 HB3 TYR 45 HB1 TYR 45 -3.550 -6.292 4.329 361 HD1 TYR 45 HD1 TYR 45 -3.149 -3.908 4.254 362 HD2 TYR 45 HD2 TYR 45 -5.623 -5.773 1.364 363 HE1 TYR 45 HE1 TYR 45 -3.967 -1.714 3.549 364 HE2 TYR 45 HE2 TYR 45 -6.470 -3.573 0.650 365 HH TYR 45 HH TYR 45 -6.659 -1.190 1.578 366 H TYR 46 HN TYR 46 -0.151 -7.184 3.051 367 HA TYR 46 HA TYR 46 -0.385 -10.016 3.280 368 HB2 TYR 46 HB2 TYR 46 1.850 -8.059 3.543 369 HB3 TYR 46 HB1 TYR 46 2.051 -9.657 4.244 370 HD1 TYR 46 HD2 TYR 46 0.216 -8.902 1.086 371 HD2 TYR 46 HD1 TYR 46 3.749 -10.463 2.861 372 HE1 TYR 46 HE2 TYR 46 0.902 -9.822 -1.092 373 HE2 TYR 46 HE1 TYR 46 4.440 -11.384 0.716 374 HH TYR 46 HH TYR 46 3.485 -12.062 -1.345 375 H GLY 47 HN GLY 47 -1.880 -10.293 4.819 376 HA2 GLY 47 HA2 GLY 47 -0.820 -10.260 7.516 377 HA3 GLY 47 HA1 GLY 47 -2.339 -9.409 7.234 378 H TRP 48 HN TRP 48 -4.037 -10.582 7.713 379 HA TRP 48 HA TRP 48 -3.780 -13.470 7.600 380 HB2 TRP 48 HB2 TRP 48 -6.042 -11.766 8.663 381 HB3 TRP 48 HB1 TRP 48 -5.947 -13.525 8.776 382 HD1 TRP 48 HD1 TRP 48 -5.026 -10.473 10.623 383 HE1 TRP 48 HE1 TRP 48 -3.454 -11.034 12.576 384 HE3 TRP 48 HE3 TRP 48 -3.818 -15.259 9.338 385 HZ2 TRP 48 HZ2 TRP 48 -1.891 -13.211 13.455 386 HZ3 TRP 48 HZ3 TRP 48 -2.272 -16.511 10.771 387 HH2 TRP 48 HH2 TRP 48 -1.327 -15.512 12.794 388 H ASN 49 HN ASN 49 -5.623 -10.884 6.147 389 HA ASN 49 HA ASN 49 -6.429 -12.809 4.099 390 HB2 ASN 49 HB2 ASN 49 -8.421 -12.148 5.360 391 HB3 ASN 49 HB1 ASN 49 -8.033 -10.446 5.107 392 HD21 ASN 49 HD21 ASN 49 -10.022 -10.113 4.103 393 HD22 ASN 49 HD22 ASN 49 -10.343 -10.633 2.495 394 H VAL 50 HN VAL 50 -5.333 -12.440 2.391 395 HA VAL 50 HA VAL 50 -4.180 -9.836 1.850 396 HB VAL 50 HB VAL 50 -3.940 -12.424 0.276 397 HG11 VAL 50 HG11 VAL 50 -1.890 -11.462 -0.632 398 HG12 VAL 50 HG12 VAL 50 -2.185 -9.982 0.279 399 HG13 VAL 50 HG13 VAL 50 -3.295 -10.459 -1.004 400 HG21 VAL 50 HG21 VAL 50 -3.173 -12.776 2.558 401 HG22 VAL 50 HG22 VAL 50 -2.133 -11.355 2.442 402 HG23 VAL 50 HG23 VAL 50 -1.806 -12.772 1.444 403 H ARG 51 HN ARG 51 -6.837 -11.774 0.961 404 HA ARG 51 HA ARG 51 -7.214 -10.864 -1.703 405 HB2 ARG 51 HB2 ARG 51 -8.931 -12.516 0.121 406 HB3 ARG 51 HB1 ARG 51 -9.442 -12.059 -1.494 407 HG2 ARG 51 HG2 ARG 51 -6.935 -13.608 -0.862 408 HG3 ARG 51 HG1 ARG 51 -8.464 -14.325 -1.391 409 HD2 ARG 51 HD2 ARG 51 -8.339 -13.085 -3.485 410 HD3 ARG 51 HD1 ARG 51 -6.859 -12.296 -2.963 411 HE ARG 51 HE ARG 51 -6.651 -15.120 -2.920 412 HH11 ARG 51 HH11 ARG 51 -6.560 -12.345 -5.123 413 HH12 ARG 51 HH12 ARG 51 -5.524 -13.087 -6.242 414 HH21 ARG 51 HH21 ARG 51 -5.218 -16.122 -4.455 415 HH22 ARG 51 HH22 ARG 51 -4.720 -15.285 -5.851 416 H TYR 52 HN TYR 52 -7.518 -8.959 0.801 417 HA TYR 52 HA TYR 52 -10.054 -7.766 0.455 418 HB2 TYR 52 HB2 TYR 52 -7.433 -6.602 1.359 419 HB3 TYR 52 HB1 TYR 52 -8.842 -5.574 1.150 420 HD1 TYR 52 HD2 TYR 52 -10.954 -6.258 2.466 421 HD2 TYR 52 HD1 TYR 52 -7.058 -7.686 3.380 422 HE1 TYR 52 HE2 TYR 52 -11.699 -6.810 4.742 423 HE2 TYR 52 HE1 TYR 52 -7.796 -8.238 5.662 424 HH TYR 52 HH TYR 52 -9.488 -7.635 7.212 425 H ASP 53 HN ASP 53 -7.026 -7.386 -1.238 426 HA ASP 53 HA ASP 53 -6.382 -6.344 -3.193 427 HB2 ASP 53 HB2 ASP 53 -7.760 -8.363 -3.871 428 HB3 ASP 53 HB1 ASP 53 -9.120 -7.283 -4.095 429 H GLU 54 HN GLU 54 -6.349 -4.137 -2.502 430 HA GLU 54 HA GLU 54 -8.858 -2.705 -3.036 431 HB2 GLU 54 HB2 GLU 54 -8.359 -3.169 -0.577 432 HB3 GLU 54 HB1 GLU 54 -6.961 -2.125 -0.794 433 HG2 GLU 54 HG2 GLU 54 -8.259 -0.214 -1.039 434 HG3 GLU 54 HG1 GLU 54 -9.735 -1.143 -1.324 435 H TRP 55 HN TRP 55 -8.847 -0.774 -3.818 436 HA TRP 55 HA TRP 55 -6.372 0.127 -5.048 437 HB2 TRP 55 HB2 TRP 55 -9.269 0.651 -5.706 438 HB3 TRP 55 HB1 TRP 55 -7.905 1.391 -6.539 439 HD1 TRP 55 HD1 TRP 55 -9.507 -2.090 -5.989 440 HE1 TRP 55 HE1 TRP 55 -8.818 -3.586 -8.008 441 HE3 TRP 55 HE3 TRP 55 -6.259 1.095 -8.293 442 HZ2 TRP 55 HZ2 TRP 55 -7.113 -3.405 -10.248 443 HZ3 TRP 55 HZ3 TRP 55 -5.130 0.369 -10.334 444 HH2 TRP 55 HH2 TRP 55 -5.538 -1.812 -11.294 445 H VAL 56 HN VAL 56 -5.438 1.552 -3.891 446 HA VAL 56 HA VAL 56 -7.031 3.558 -2.487 447 HB VAL 56 HB VAL 56 -6.272 1.993 -0.848 448 HG11 VAL 56 HG11 VAL 56 -3.537 2.243 -2.050 449 HG12 VAL 56 HG12 VAL 56 -4.572 0.805 -1.944 450 HG13 VAL 56 HG13 VAL 56 -3.863 1.494 -0.487 451 HG21 VAL 56 HG21 VAL 56 -4.456 4.395 -0.743 452 HG22 VAL 56 HG22 VAL 56 -4.848 3.337 0.616 453 HG23 VAL 56 HG23 VAL 56 -6.112 4.306 -0.143 454 H LYS 57 HN LYS 57 -6.162 5.646 -2.320 455 HA LYS 57 HA LYS 57 -4.527 6.457 -4.499 456 HB2 LYS 57 HB2 LYS 57 -6.000 7.849 -2.344 457 HB3 LYS 57 HB1 LYS 57 -4.695 8.723 -3.130 458 HG2 LYS 57 HG2 LYS 57 -5.737 8.272 -5.288 459 HG3 LYS 57 HG1 LYS 57 -7.080 7.483 -4.449 460 HD2 LYS 57 HD2 LYS 57 -6.276 10.316 -3.849 461 HD3 LYS 57 HD1 LYS 57 -7.370 9.946 -5.174 462 HE2 LYS 57 HE2 LYS 57 -7.813 9.246 -2.270 463 HE3 LYS 57 HE1 LYS 57 -8.572 10.584 -3.135 464 HZ1 LYS 57 HZ1 LYS 57 -10.158 8.916 -3.233 465 HZ2 LYS 57 HZ2 LYS 57 -9.026 7.701 -3.422 466 HZ3 LYS 57 HZ3 LYS 57 -9.372 8.705 -4.728 467 H ALA 58 HN ALA 58 -2.698 7.823 -4.341 468 HA ALA 58 HA ALA 58 -0.541 6.563 -3.093 469 HB1 ALA 58 HB1 ALA 58 -0.523 7.960 -5.177 470 HB2 ALA 58 HB2 ALA 58 0.811 8.198 -4.058 471 HB3 ALA 58 HB3 ALA 58 -0.509 9.374 -4.121 472 H ASP 59 HN ASP 59 -2.278 9.464 -2.226 473 HA ASP 59 HA ASP 59 -0.471 10.030 -0.018 474 HB2 ASP 59 HB2 ASP 59 -2.976 11.473 -0.903 475 HB3 ASP 59 HB1 ASP 59 -1.949 11.993 0.424 476 H ARG 60 HN ARG 60 -2.900 7.993 -0.474 477 HA ARG 60 HA ARG 60 -4.022 8.168 2.218 478 HB2 ARG 60 HB2 ARG 60 -4.910 7.327 -0.394 479 HB3 ARG 60 HB1 ARG 60 -5.062 5.999 0.737 480 HG2 ARG 60 HG2 ARG 60 -6.090 8.678 1.522 481 HG3 ARG 60 HG1 ARG 60 -7.021 7.679 0.400 482 HD2 ARG 60 HD2 ARG 60 -7.155 5.905 1.963 483 HD3 ARG 60 HD1 ARG 60 -5.970 6.663 3.017 484 HE ARG 60 HE ARG 60 -7.625 7.665 4.038 485 HH11 ARG 60 HH11 ARG 60 -8.790 7.223 0.706 486 HH12 ARG 60 HH12 ARG 60 -10.338 7.825 0.990 487 HH21 ARG 60 HH21 ARG 60 -9.802 8.474 4.461 488 HH22 ARG 60 HH22 ARG 60 -10.953 8.522 3.229 489 H ILE 61 HN ILE 61 -1.352 7.125 0.956 490 HA ILE 61 HA ILE 61 -1.134 4.645 2.470 491 HB ILE 61 HB ILE 61 0.274 5.524 -0.091 492 HG12 ILE 61 HG12 ILE 61 -1.703 3.277 0.348 493 HG13 ILE 61 HG11 ILE 61 -2.031 4.790 -0.484 494 HG21 ILE 61 HG21 ILE 61 1.330 3.339 -0.124 495 HG22 ILE 61 HG22 ILE 61 0.584 2.963 1.431 496 HG23 ILE 61 HG23 ILE 61 1.777 4.263 1.315 497 HD11 ILE 61 HD11 ILE 61 -0.358 4.181 -2.189 498 HD12 ILE 61 HD12 ILE 61 -1.702 3.046 -2.083 499 HD13 ILE 61 HD13 ILE 61 -0.148 2.614 -1.383 500 H ILE 62 HN ILE 62 0.915 4.487 3.589 501 HA ILE 62 HA ILE 62 2.353 7.017 3.917 502 HB ILE 62 HB ILE 62 2.393 4.590 5.757 503 HG12 ILE 62 HG12 ILE 62 1.378 6.282 7.451 504 HG13 ILE 62 HG11 ILE 62 0.916 7.199 6.027 505 HG21 ILE 62 HG21 ILE 62 4.500 5.766 5.773 506 HG22 ILE 62 HG22 ILE 62 3.664 5.926 7.318 507 HG23 ILE 62 HG23 ILE 62 3.667 7.270 6.182 508 HD11 ILE 62 HD11 ILE 62 -0.920 5.863 6.798 509 HD12 ILE 62 HD12 ILE 62 0.064 4.405 6.724 510 HD13 ILE 62 HD13 ILE 62 -0.373 5.250 5.234 511 H TRP 63 HN TRP 63 4.019 7.016 2.647 512 HA TRP 63 HA TRP 63 5.167 4.549 1.715 513 HB2 TRP 63 HB2 TRP 63 5.641 7.424 0.958 514 HB3 TRP 63 HB1 TRP 63 6.514 6.066 0.244 515 HD1 TRP 63 HD1 TRP 63 3.072 7.709 0.316 516 HE1 TRP 63 HE1 TRP 63 1.664 6.750 -1.584 517 HE3 TRP 63 HE3 TRP 63 6.257 4.044 -1.222 518 HZ2 TRP 63 HZ2 TRP 63 1.890 4.692 -3.515 519 HZ3 TRP 63 HZ3 TRP 63 5.593 2.617 -3.110 520 HH2 TRP 63 HH2 TRP 63 3.456 2.934 -4.228 521 HA PRO 64 HA PRO 64 8.445 4.949 4.732 522 HB2 PRO 64 HB2 PRO 64 9.523 2.571 3.367 523 HB3 PRO 64 HB1 PRO 64 9.053 2.760 5.060 524 HG2 PRO 64 HG2 PRO 64 7.598 1.259 3.379 525 HG3 PRO 64 HG1 PRO 64 6.854 2.251 4.653 526 HD2 PRO 64 HD2 PRO 64 7.113 2.833 1.724 527 HD3 PRO 64 HD1 PRO 64 5.712 3.026 2.807 528 H LEU 65 HN LEU 65 9.830 6.398 4.293 529 HA LEU 65 HA LEU 65 12.084 6.201 2.706 530 HB2 LEU 65 HB2 LEU 65 10.143 6.579 0.919 531 HB3 LEU 65 HB1 LEU 65 10.127 8.208 1.547 532 HG LEU 65 HG LEU 65 11.365 8.099 -0.543 533 HD11 LEU 65 HD11 LEU 65 13.215 8.574 1.770 534 HD12 LEU 65 HD12 LEU 65 12.157 9.754 0.996 535 HD13 LEU 65 HD13 LEU 65 13.515 9.066 0.104 536 HD21 LEU 65 HD21 LEU 65 13.144 6.125 0.848 537 HD22 LEU 65 HD22 LEU 65 13.438 6.823 -0.747 538 HD23 LEU 65 HD23 LEU 65 12.031 5.789 -0.475 539 H ASP 66 HN ASP 66 12.669 6.817 4.808 540 HA ASP 66 HA ASP 66 13.469 8.304 6.333 541 HB2 ASP 66 HB2 ASP 66 14.016 9.864 4.540 542 HB3 ASP 66 HB1 ASP 66 12.339 10.366 4.431 543 H LYS 67 HN LYS 67 10.597 10.014 5.324 544 HA LYS 67 HA LYS 67 8.729 10.708 6.255 545 HB2 LYS 67 HB2 LYS 67 8.577 8.059 6.295 546 HB3 LYS 67 HB1 LYS 67 8.537 8.326 8.032 547 HG2 LYS 67 HG2 LYS 67 6.284 8.154 7.151 548 HG3 LYS 67 HG1 LYS 67 6.577 9.785 7.761 549 HD2 LYS 67 HD2 LYS 67 6.970 10.586 5.475 550 HD3 LYS 67 HD1 LYS 67 6.769 8.947 4.862 551 HE2 LYS 67 HE2 LYS 67 4.458 8.952 5.586 552 HE3 LYS 67 HE1 LYS 67 4.657 10.554 6.292 553 HZ1 LYS 67 HZ1 LYS 67 5.035 11.453 4.102 554 HZ2 LYS 67 HZ2 LYS 67 3.612 10.577 4.059 555 HZ3 LYS 67 HZ3 LYS 67 5.008 9.931 3.412 556 H GLY 68 HN GLY 68 8.491 12.348 7.523 557 HA2 GLY 68 HA2 GLY 68 10.206 12.545 9.860 558 HA3 GLY 68 HA1 GLY 68 9.346 13.860 9.081 559 H LEU 69 HN LEU 69 8.872 10.998 11.084 560 HA LEU 69 HA LEU 69 6.402 12.122 12.151 561 HB2 LEU 69 HB2 LEU 69 7.864 9.580 12.907 562 HB3 LEU 69 HB1 LEU 69 6.383 10.114 13.664 563 HG LEU 69 HG LEU 69 5.763 8.420 12.204 564 HD11 LEU 69 HD11 LEU 69 4.264 10.279 12.086 565 HD12 LEU 69 HD12 LEU 69 4.342 9.450 10.532 566 HD13 LEU 69 HD13 LEU 69 5.187 10.980 10.755 567 HD21 LEU 69 HD21 LEU 69 7.414 9.722 10.050 568 HD22 LEU 69 HD22 LEU 69 6.375 8.316 9.824 569 HD23 LEU 69 HD23 LEU 69 7.776 8.214 10.889 570 H GLU 70 HN GLU 70 6.362 13.451 13.743 571 HA GLU 70 HA GLU 70 6.789 14.669 15.542 572 HB2 GLU 70 HB2 GLU 70 8.674 12.432 16.313 573 HB3 GLU 70 HB1 GLU 70 8.304 13.799 17.360 574 HG2 GLU 70 HG2 GLU 70 6.326 11.773 16.320 575 HG3 GLU 70 HG1 GLU 70 6.969 11.851 17.962 576 H HIS 71 HN HIS 71 9.522 13.603 13.817 577 HA HIS 71 HA HIS 71 10.775 16.230 14.171 578 HB2 HIS 71 HB2 HIS 71 12.061 13.683 13.116 579 HB3 HIS 71 HB1 HIS 71 12.873 15.206 13.448 580 HD1 HIS 71 HD1 HIS 71 13.534 15.666 15.894 581 HD2 HIS 71 HD2 HIS 71 11.469 12.111 15.356 582 HE1 HIS 71 HE1 HIS 71 13.779 14.415 18.043 583 HE2 HIS 71 HE2 HIS 71 12.193 12.469 17.770 584 H HIS 72 HN HIS 72 9.243 17.035 12.640 585 HA HIS 72 HA HIS 72 9.430 15.840 9.978 586 HB2 HIS 72 HB2 HIS 72 7.156 16.101 10.948 587 HB3 HIS 72 HB1 HIS 72 7.391 17.844 10.972 588 HD1 HIS 72 HD1 HIS 72 6.183 18.903 9.077 589 HD2 HIS 72 HD2 HIS 72 7.658 15.156 8.060 590 HE1 HIS 72 HE1 HIS 72 5.520 18.530 6.675 591 HE2 HIS 72 HE2 HIS 72 6.521 16.309 6.059 592 H HIS 73 HN HIS 73 9.714 18.925 11.644 593 HA HIS 73 HA HIS 73 10.376 20.415 9.310 594 HB2 HIS 73 HB2 HIS 73 9.533 21.484 11.399 595 HB3 HIS 73 HB1 HIS 73 11.023 21.023 12.210 596 HD1 HIS 73 HD1 HIS 73 12.566 22.950 12.407 597 HD2 HIS 73 HD2 HIS 73 10.293 23.151 8.936 598 HE1 HIS 73 HE1 HIS 73 13.261 25.063 11.267 599 HE2 HIS 73 HE2 HIS 73 11.997 25.064 9.087 600 H HIS 74 HN HIS 74 12.268 19.005 11.887 601 HA HIS 74 HA HIS 74 14.565 19.086 10.100 602 HB2 HIS 74 HB2 HIS 74 14.997 20.447 12.064 603 HB3 HIS 74 HB1 HIS 74 14.527 19.134 13.131 604 HD1 HIS 74 HD1 HIS 74 16.581 18.266 14.227 605 HD2 HIS 74 HD2 HIS 74 17.269 19.271 10.259 606 HE1 HIS 74 HE1 HIS 74 18.948 17.638 13.782 607 HE2 HIS 74 HE2 HIS 74 19.402 18.656 11.545 608 H HIS 75 HN HIS 75 14.162 17.247 9.147 609 HA HIS 75 HA HIS 75 14.057 14.879 10.835 610 HB2 HIS 75 HB2 HIS 75 13.005 13.652 8.914 611 HB3 HIS 75 HB1 HIS 75 12.018 14.954 9.547 612 HD1 HIS 75 HD1 HIS 75 12.790 13.467 6.520 613 HD2 HIS 75 HD2 HIS 75 12.567 17.425 7.723 614 HE1 HIS 75 HE1 HIS 75 12.471 14.804 4.416 615 HE2 HIS 75 HE2 HIS 75 12.047 17.135 5.228 616 H HIS 76 HN HIS 76 16.148 14.770 11.153 617 HA HIS 76 HA HIS 76 17.678 13.325 9.266 618 HB2 HIS 76 HB2 HIS 76 18.034 15.722 8.497 619 HB3 HIS 76 HB1 HIS 76 18.670 16.080 10.097 620 HD1 HIS 76 HD1 HIS 76 21.061 15.095 10.661 621 HD2 HIS 76 HD2 HIS 76 19.771 14.410 6.769 622 HE1 HIS 76 HE1 HIS 76 23.099 14.445 9.386 623 HE2 HIS 76 HE2 HIS 76 22.274 13.857 7.089 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 19.354 -8.574 -18.799 2 H2 GLU 1 HT2 GLU 1 18.520 -9.853 -18.123 3 H3 GLU 1 HT3 GLU 1 20.188 -9.835 -18.035 4 HA GLU 1 HA GLU 1 19.139 -9.230 -15.958 5 HB2 GLU 1 HB2 GLU 1 20.576 -6.968 -17.360 6 HB3 GLU 1 HB1 GLU 1 20.197 -6.957 -15.646 7 HG2 GLU 1 HG2 GLU 1 21.900 -9.028 -17.019 8 HG3 GLU 1 HG1 GLU 1 22.515 -7.636 -16.128 9 H ASP 2 HN ASP 2 16.933 -9.262 -16.017 10 HA ASP 2 HA ASP 2 15.791 -6.641 -15.905 11 HB2 ASP 2 HB2 ASP 2 15.254 -7.175 -18.209 12 HB3 ASP 2 HB1 ASP 2 14.608 -8.745 -17.744 13 H MET 3 HN MET 3 15.771 -6.985 -13.813 14 HA MET 3 HA MET 3 13.370 -7.973 -12.781 15 HB2 MET 3 HB2 MET 3 14.490 -10.176 -12.810 16 HB3 MET 3 HB1 MET 3 15.869 -9.497 -11.951 17 HG2 MET 3 HG2 MET 3 14.353 -8.967 -10.052 18 HG3 MET 3 HG1 MET 3 13.063 -9.808 -10.904 19 HE1 MET 3 HE1 MET 3 14.193 -10.303 -7.923 20 HE2 MET 3 HE2 MET 3 14.131 -12.056 -7.828 21 HE3 MET 3 HE3 MET 3 12.794 -11.167 -8.570 22 H GLU 4 HN GLU 4 13.384 -5.794 -12.252 23 HA GLU 4 HA GLU 4 15.368 -4.973 -10.302 24 HB2 GLU 4 HB2 GLU 4 13.129 -3.410 -11.585 25 HB3 GLU 4 HB1 GLU 4 14.318 -2.757 -10.479 26 HG2 GLU 4 HG2 GLU 4 16.074 -3.365 -12.147 27 HG3 GLU 4 HG1 GLU 4 14.771 -3.785 -13.264 28 HA PRO 5 HA PRO 5 12.246 -5.595 -7.131 29 HB2 PRO 5 HB2 PRO 5 13.962 -3.886 -5.452 30 HB3 PRO 5 HB1 PRO 5 13.480 -5.565 -5.179 31 HG2 PRO 5 HG2 PRO 5 16.008 -4.961 -5.851 32 HG3 PRO 5 HG1 PRO 5 15.184 -6.411 -6.473 33 HD2 PRO 5 HD2 PRO 5 15.611 -3.770 -7.839 34 HD3 PRO 5 HD1 PRO 5 15.880 -5.419 -8.458 35 H CYS 6 HN CYS 6 10.812 -4.272 -8.227 36 HA CYS 6 HA CYS 6 11.065 -1.413 -8.212 37 HB2 CYS 6 HB2 CYS 6 8.924 -3.254 -9.266 38 HB3 CYS 6 HB1 CYS 6 9.036 -1.538 -9.599 39 HG CYS 6 HG CYS 6 9.954 -2.420 -11.878 40 H LEU 7 HN LEU 7 8.516 -0.534 -7.971 41 HA LEU 7 HA LEU 7 8.021 -0.403 -5.248 42 HB2 LEU 7 HB2 LEU 7 5.949 0.724 -5.760 43 HB3 LEU 7 HB1 LEU 7 7.165 1.268 -6.881 44 HG LEU 7 HG LEU 7 4.931 -0.681 -7.533 45 HD11 LEU 7 HD11 LEU 7 3.970 1.169 -8.805 46 HD12 LEU 7 HD12 LEU 7 5.251 2.228 -8.234 47 HD13 LEU 7 HD13 LEU 7 4.091 1.553 -7.092 48 HD21 LEU 7 HD21 LEU 7 6.912 0.684 -9.374 49 HD22 LEU 7 HD22 LEU 7 5.550 -0.314 -9.882 50 HD23 LEU 7 HD23 LEU 7 6.882 -1.038 -8.984 51 H THR 8 HN THR 8 6.836 -2.633 -7.665 52 HA THR 8 HA THR 8 4.827 -3.934 -6.331 53 HB THR 8 HB THR 8 6.836 -5.197 -8.171 54 HG1 THR 8 HG1 THR 8 5.098 -4.178 -9.713 55 HG21 THR 8 HG21 THR 8 4.968 -6.577 -7.273 56 HG22 THR 8 HG22 THR 8 4.840 -6.346 -9.016 57 HG23 THR 8 HG23 THR 8 3.828 -5.396 -7.928 58 H GLY 9 HN GLY 9 4.959 -5.044 -4.476 59 HA2 GLY 9 HA2 GLY 9 5.761 -6.968 -3.277 60 HA3 GLY 9 HA1 GLY 9 7.362 -6.663 -3.930 61 H THR 10 HN THR 10 6.543 -3.708 -3.229 62 HA THR 10 HA THR 10 7.997 -3.662 -0.754 63 HB THR 10 HB THR 10 6.476 -1.446 -2.091 64 HG1 THR 10 HG1 THR 10 7.844 -2.030 -3.614 65 HG21 THR 10 HG21 THR 10 8.120 0.023 -1.007 66 HG22 THR 10 HG22 THR 10 8.887 -1.382 -0.260 67 HG23 THR 10 HG23 THR 10 7.234 -0.936 0.178 68 H LYS 11 HN LYS 11 7.096 -3.715 1.214 69 HA LYS 11 HA LYS 11 4.230 -3.456 1.300 70 HB2 LYS 11 HB2 LYS 11 4.162 -4.583 3.438 71 HB3 LYS 11 HB1 LYS 11 5.105 -5.532 2.320 72 HG2 LYS 11 HG2 LYS 11 6.265 -5.761 4.304 73 HG3 LYS 11 HG1 LYS 11 7.143 -4.444 3.529 74 HD2 LYS 11 HD2 LYS 11 6.002 -2.812 4.889 75 HD3 LYS 11 HD1 LYS 11 4.923 -4.044 5.543 76 HE2 LYS 11 HE2 LYS 11 6.787 -5.137 6.632 77 HE3 LYS 11 HE1 LYS 11 7.910 -3.973 5.925 78 HZ1 LYS 11 HZ1 LYS 11 6.870 -2.236 7.208 79 HZ2 LYS 11 HZ2 LYS 11 7.353 -3.486 8.231 80 HZ3 LYS 11 HZ3 LYS 11 5.721 -3.302 7.837 81 H VAL 12 HN VAL 12 3.230 -1.883 1.988 82 HA VAL 12 HA VAL 12 4.680 0.302 3.341 83 HB VAL 12 HB VAL 12 3.288 1.868 2.021 84 HG11 VAL 12 HG11 VAL 12 4.833 -0.079 0.311 85 HG12 VAL 12 HG12 VAL 12 5.510 1.293 1.185 86 HG13 VAL 12 HG13 VAL 12 4.389 1.562 -0.149 87 HG21 VAL 12 HG21 VAL 12 2.360 -0.599 0.532 88 HG22 VAL 12 HG22 VAL 12 1.956 1.070 0.126 89 HG23 VAL 12 HG23 VAL 12 1.376 0.361 1.631 90 H LYS 13 HN LYS 13 2.849 1.919 4.113 91 HA LYS 13 HA LYS 13 0.732 0.256 5.192 92 HB2 LYS 13 HB2 LYS 13 2.082 2.619 6.431 93 HB3 LYS 13 HB1 LYS 13 0.444 2.194 6.895 94 HG2 LYS 13 HG2 LYS 13 1.197 -0.049 7.456 95 HG3 LYS 13 HG1 LYS 13 2.862 0.411 7.072 96 HD2 LYS 13 HD2 LYS 13 1.117 1.679 9.177 97 HD3 LYS 13 HD1 LYS 13 2.363 0.465 9.488 98 HE2 LYS 13 HE2 LYS 13 4.008 1.926 8.534 99 HE3 LYS 13 HE1 LYS 13 2.771 3.172 8.272 100 HZ1 LYS 13 HZ1 LYS 13 3.593 2.071 10.911 101 HZ2 LYS 13 HZ2 LYS 13 2.396 3.202 10.690 102 HZ3 LYS 13 HZ3 LYS 13 4.002 3.596 10.331 103 H VAL 14 HN VAL 14 -1.258 0.912 5.202 104 HA VAL 14 HA VAL 14 -1.863 3.027 3.263 105 HB VAL 14 HB VAL 14 -3.234 0.374 3.704 106 HG11 VAL 14 HG11 VAL 14 -3.931 2.512 1.692 107 HG12 VAL 14 HG12 VAL 14 -4.745 2.277 3.231 108 HG13 VAL 14 HG13 VAL 14 -4.801 0.998 2.019 109 HG21 VAL 14 HG21 VAL 14 -2.576 -0.129 1.439 110 HG22 VAL 14 HG22 VAL 14 -1.150 0.227 2.424 111 HG23 VAL 14 HG23 VAL 14 -1.764 1.427 1.286 112 H LYS 15 HN LYS 15 -3.135 4.513 4.054 113 HA LYS 15 HA LYS 15 -4.622 4.007 6.534 114 HB2 LYS 15 HB2 LYS 15 -2.940 5.806 6.511 115 HB3 LYS 15 HB1 LYS 15 -3.770 6.565 5.160 116 HG2 LYS 15 HG2 LYS 15 -5.719 6.932 6.592 117 HG3 LYS 15 HG1 LYS 15 -4.859 6.192 7.940 118 HD2 LYS 15 HD2 LYS 15 -3.946 8.650 6.440 119 HD3 LYS 15 HD1 LYS 15 -4.760 8.663 8.003 120 HE2 LYS 15 HE2 LYS 15 -2.895 7.358 8.955 121 HE3 LYS 15 HE1 LYS 15 -2.100 7.380 7.386 122 HZ1 LYS 15 HZ1 LYS 15 -1.226 9.032 8.866 123 HZ2 LYS 15 HZ2 LYS 15 -2.737 9.792 8.983 124 HZ3 LYS 15 HZ3 LYS 15 -1.921 9.757 7.520 125 H TYR 16 HN TYR 16 -6.606 3.338 5.938 126 HA TYR 16 HA TYR 16 -7.985 4.717 3.734 127 HB2 TYR 16 HB2 TYR 16 -6.764 2.642 2.978 128 HB3 TYR 16 HB1 TYR 16 -7.807 1.742 4.063 129 HD1 TYR 16 HD1 TYR 16 -7.679 3.736 0.978 130 HD2 TYR 16 HD2 TYR 16 -10.032 1.138 3.383 131 HE1 TYR 16 HE1 TYR 16 -9.229 3.403 -0.904 132 HE2 TYR 16 HE2 TYR 16 -11.591 0.813 1.513 133 HH TYR 16 HH TYR 16 -10.784 1.753 -1.657 134 H GLY 17 HN GLY 17 -9.717 5.522 4.787 135 HA2 GLY 17 HA2 GLY 17 -11.719 3.850 5.586 136 HA3 GLY 17 HA1 GLY 17 -10.927 4.415 7.049 137 H ARG 18 HN ARG 18 -13.426 5.089 6.751 138 HA ARG 18 HA ARG 18 -13.376 7.820 5.713 139 HB2 ARG 18 HB2 ARG 18 -15.843 7.663 5.635 140 HB3 ARG 18 HB1 ARG 18 -15.073 6.402 4.696 141 HG2 ARG 18 HG2 ARG 18 -15.429 4.847 6.614 142 HG3 ARG 18 HG1 ARG 18 -16.336 6.128 7.403 143 HD2 ARG 18 HD2 ARG 18 -17.874 6.177 5.523 144 HD3 ARG 18 HD1 ARG 18 -16.980 4.852 4.766 145 HE ARG 18 HE ARG 18 -18.312 4.631 7.373 146 HH11 ARG 18 HH11 ARG 18 -17.626 3.308 4.166 147 HH12 ARG 18 HH12 ARG 18 -18.413 1.818 4.462 148 HH21 ARG 18 HH21 ARG 18 -19.443 2.582 7.746 149 HH22 ARG 18 HH22 ARG 18 -19.458 1.410 6.512 150 H GLY 19 HN GLY 19 -12.731 9.121 7.248 151 HA2 GLY 19 HA2 GLY 19 -12.815 10.449 9.113 152 HA3 GLY 19 HA1 GLY 19 -14.434 9.831 9.382 153 H LYS 20 HN LYS 20 -14.765 8.557 11.036 154 HA LYS 20 HA LYS 20 -12.696 8.031 12.937 155 HB2 LYS 20 HB2 LYS 20 -14.957 8.577 13.657 156 HB3 LYS 20 HB1 LYS 20 -15.591 7.169 12.822 157 HG2 LYS 20 HG2 LYS 20 -14.319 5.720 14.343 158 HG3 LYS 20 HG1 LYS 20 -13.735 7.148 15.190 159 HD2 LYS 20 HD2 LYS 20 -15.995 7.748 15.812 160 HD3 LYS 20 HD1 LYS 20 -16.636 6.386 14.890 161 HE2 LYS 20 HE2 LYS 20 -14.764 6.159 17.238 162 HE3 LYS 20 HE1 LYS 20 -16.515 5.940 17.308 163 HZ1 LYS 20 HZ1 LYS 20 -16.312 4.057 15.820 164 HZ2 LYS 20 HZ2 LYS 20 -15.358 3.829 17.171 165 HZ3 LYS 20 HZ3 LYS 20 -14.639 4.244 15.706 166 H THR 21 HN THR 21 -14.270 6.268 10.423 167 HA THR 21 HA THR 21 -13.516 3.639 11.309 168 HB THR 21 HB THR 21 -14.635 4.543 8.631 169 HG1 THR 21 HG1 THR 21 -16.575 4.787 9.629 170 HG21 THR 21 HG21 THR 21 -15.728 2.357 8.637 171 HG22 THR 21 HG22 THR 21 -15.099 2.014 10.243 172 HG23 THR 21 HG23 THR 21 -13.993 2.127 8.871 173 H GLN 22 HN GLN 22 -11.422 5.579 10.873 174 HA GLN 22 HA GLN 22 -9.935 5.171 8.456 175 HB2 GLN 22 HB2 GLN 22 -10.016 7.198 9.904 176 HB3 GLN 22 HB1 GLN 22 -9.131 6.307 11.124 177 HG2 GLN 22 HG2 GLN 22 -7.601 7.709 10.020 178 HG3 GLN 22 HG1 GLN 22 -7.283 6.074 9.445 179 HE21 GLN 22 HE21 GLN 22 -6.817 8.753 8.343 180 HE22 GLN 22 HE22 GLN 22 -7.493 8.758 6.755 181 H LYS 23 HN LYS 23 -8.919 3.201 8.110 182 HA LYS 23 HA LYS 23 -7.654 1.887 10.418 183 HB2 LYS 23 HB2 LYS 23 -8.628 0.708 7.817 184 HB3 LYS 23 HB1 LYS 23 -7.620 -0.159 8.948 185 HG2 LYS 23 HG2 LYS 23 -9.430 -0.031 10.597 186 HG3 LYS 23 HG1 LYS 23 -10.440 0.789 9.376 187 HD2 LYS 23 HD2 LYS 23 -10.089 -1.140 7.879 188 HD3 LYS 23 HD1 LYS 23 -9.184 -1.926 9.177 189 HE2 LYS 23 HE2 LYS 23 -12.037 -1.083 9.323 190 HE3 LYS 23 HE1 LYS 23 -11.472 -2.702 8.891 191 HZ1 LYS 23 HZ1 LYS 23 -11.068 -1.333 11.510 192 HZ2 LYS 23 HZ2 LYS 23 -10.420 -2.830 11.096 193 HZ3 LYS 23 HZ3 LYS 23 -12.086 -2.646 11.206 194 H ILE 24 HN ILE 24 -5.438 1.695 10.365 195 HA ILE 24 HA ILE 24 -4.092 2.211 7.818 196 HB ILE 24 HB ILE 24 -2.953 2.167 10.631 197 HG12 ILE 24 HG12 ILE 24 -3.506 4.583 8.906 198 HG13 ILE 24 HG11 ILE 24 -4.609 4.010 10.154 199 HG21 ILE 24 HG21 ILE 24 -1.753 3.110 8.016 200 HG22 ILE 24 HG22 ILE 24 -1.299 1.648 8.889 201 HG23 ILE 24 HG23 ILE 24 -0.984 3.233 9.599 202 HD11 ILE 24 HD11 ILE 24 -2.907 4.288 11.799 203 HD12 ILE 24 HD12 ILE 24 -3.239 5.822 10.975 204 HD13 ILE 24 HD13 ILE 24 -1.769 4.898 10.592 205 H TYR 25 HN TYR 25 -3.586 0.412 6.797 206 HA TYR 25 HA TYR 25 -2.981 -2.059 8.336 207 HB2 TYR 25 HB2 TYR 25 -3.402 -2.268 5.416 208 HB3 TYR 25 HB1 TYR 25 -3.889 -3.355 6.687 209 HD1 TYR 25 HD2 TYR 25 -6.145 -2.934 7.858 210 HD2 TYR 25 HD1 TYR 25 -4.838 -0.716 4.457 211 HE1 TYR 25 HE2 TYR 25 -8.445 -2.265 7.387 212 HE2 TYR 25 HE1 TYR 25 -7.137 -0.083 3.983 213 HH TYR 25 HH TYR 25 -9.329 -0.971 4.413 214 H GLU 26 HN GLU 26 -1.280 -3.440 7.243 215 HA GLU 26 HA GLU 26 0.598 -1.816 5.678 216 HB2 GLU 26 HB2 GLU 26 1.060 -4.379 7.249 217 HB3 GLU 26 HB1 GLU 26 2.256 -3.670 6.184 218 HG2 GLU 26 HG2 GLU 26 2.363 -1.678 7.639 219 HG3 GLU 26 HG1 GLU 26 1.163 -2.408 8.704 220 H ALA 27 HN ALA 27 0.646 -2.247 3.618 221 HA ALA 27 HA ALA 27 -0.427 -4.802 2.673 222 HB1 ALA 27 HB1 ALA 27 -1.665 -3.680 0.892 223 HB2 ALA 27 HB2 ALA 27 -1.048 -2.131 1.347 224 HB3 ALA 27 HB3 ALA 27 -2.148 -2.984 2.433 225 H SER 28 HN SER 28 0.083 -4.778 0.092 226 HA SER 28 HA SER 28 2.851 -3.909 -0.138 227 HB2 SER 28 HB2 SER 28 3.329 -6.113 -1.291 228 HB3 SER 28 HB1 SER 28 3.148 -6.182 0.462 229 HG SER 28 HG SER 28 0.777 -6.608 -0.238 230 H ILE 29 HN ILE 29 3.342 -3.021 -1.941 231 HA ILE 29 HA ILE 29 1.260 -2.203 -3.707 232 HB ILE 29 HB ILE 29 4.254 -1.955 -4.123 233 HG12 ILE 29 HG12 ILE 29 3.513 -0.940 -1.966 234 HG13 ILE 29 HG11 ILE 29 4.124 0.244 -3.100 235 HG21 ILE 29 HG21 ILE 29 3.648 -0.037 -5.560 236 HG22 ILE 29 HG22 ILE 29 1.947 -0.440 -5.319 237 HG23 ILE 29 HG23 ILE 29 3.007 -1.575 -6.161 238 HD11 ILE 29 HD11 ILE 29 2.151 1.062 -1.929 239 HD12 ILE 29 HD12 ILE 29 1.193 -0.284 -2.547 240 HD13 ILE 29 HD13 ILE 29 1.851 0.917 -3.651 241 H LYS 30 HN LYS 30 0.548 -3.105 -5.542 242 HA LYS 30 HA LYS 30 2.175 -5.263 -6.649 243 HB2 LYS 30 HB2 LYS 30 -0.105 -5.755 -5.474 244 HB3 LYS 30 HB1 LYS 30 -0.820 -5.101 -6.932 245 HG2 LYS 30 HG2 LYS 30 1.136 -7.396 -6.999 246 HG3 LYS 30 HG1 LYS 30 -0.584 -7.636 -6.746 247 HD2 LYS 30 HD2 LYS 30 0.601 -6.230 -9.127 248 HD3 LYS 30 HD1 LYS 30 0.182 -7.948 -9.100 249 HE2 LYS 30 HE2 LYS 30 -1.705 -5.628 -8.687 250 HE3 LYS 30 HE1 LYS 30 -1.611 -6.633 -10.127 251 HZ1 LYS 30 HZ1 LYS 30 -2.518 -7.464 -7.406 252 HZ2 LYS 30 HZ2 LYS 30 -2.201 -8.557 -8.631 253 HZ3 LYS 30 HZ3 LYS 30 -3.431 -7.447 -8.824 254 H SER 31 HN SER 31 -0.084 -2.577 -7.452 255 HA SER 31 HA SER 31 1.441 -1.982 -9.820 256 HB2 SER 31 HB2 SER 31 -1.470 -2.834 -10.079 257 HB3 SER 31 HB1 SER 31 -0.495 -2.138 -11.371 258 HG SER 31 HG SER 31 0.829 -4.181 -10.325 259 H THR 32 HN THR 32 0.397 0.055 -10.947 260 HA THR 32 HA THR 32 -1.155 1.684 -9.048 261 HB THR 32 HB THR 32 0.783 3.134 -10.700 262 HG1 THR 32 HG1 THR 32 2.076 1.332 -10.053 263 HG21 THR 32 HG21 THR 32 1.130 4.339 -8.642 264 HG22 THR 32 HG22 THR 32 0.191 3.139 -7.768 265 HG23 THR 32 HG23 THR 32 -0.596 4.157 -8.990 266 H GLU 33 HN GLU 33 -2.673 2.928 -10.120 267 HA GLU 33 HA GLU 33 -2.360 3.454 -12.934 268 HB2 GLU 33 HB2 GLU 33 -4.773 1.943 -11.902 269 HB3 GLU 33 HB1 GLU 33 -4.799 2.878 -13.387 270 HG2 GLU 33 HG2 GLU 33 -2.942 1.545 -14.233 271 HG3 GLU 33 HG1 GLU 33 -3.026 0.523 -12.799 272 H ILE 34 HN ILE 34 -3.783 5.086 -13.701 273 HA ILE 34 HA ILE 34 -4.521 6.860 -11.483 274 HB ILE 34 HB ILE 34 -3.676 7.571 -14.302 275 HG12 ILE 34 HG12 ILE 34 -1.887 8.954 -13.136 276 HG13 ILE 34 HG11 ILE 34 -2.447 8.240 -11.636 277 HG21 ILE 34 HG21 ILE 34 -4.637 9.457 -12.146 278 HG22 ILE 34 HG22 ILE 34 -5.500 9.031 -13.615 279 HG23 ILE 34 HG23 ILE 34 -3.990 9.947 -13.715 280 HD11 ILE 34 HD11 ILE 34 -1.226 6.713 -13.918 281 HD12 ILE 34 HD12 ILE 34 -1.748 6.080 -12.346 282 HD13 ILE 34 HD13 ILE 34 -0.401 7.214 -12.431 283 H ASP 35 HN ASP 35 -6.585 7.339 -11.314 284 HA ASP 35 HA ASP 35 -8.318 6.698 -13.599 285 HB2 ASP 35 HB2 ASP 35 -8.329 4.916 -11.778 286 HB3 ASP 35 HB1 ASP 35 -9.049 6.120 -10.723 287 H ASP 36 HN ASP 36 -8.923 8.554 -14.246 288 HA ASP 36 HA ASP 36 -9.496 10.670 -14.423 289 HB2 ASP 36 HB2 ASP 36 -11.707 9.690 -13.908 290 HB3 ASP 36 HB1 ASP 36 -11.462 10.057 -12.207 291 H GLY 37 HN GLY 37 -7.341 11.020 -13.607 292 HA2 GLY 37 HA2 GLY 37 -6.146 12.889 -12.886 293 HA3 GLY 37 HA1 GLY 37 -7.528 13.381 -11.935 294 H GLU 38 HN GLU 38 -7.511 10.618 -10.592 295 HA GLU 38 HA GLU 38 -5.331 11.351 -8.772 296 HB2 GLU 38 HB2 GLU 38 -6.645 10.319 -6.949 297 HB3 GLU 38 HB1 GLU 38 -7.473 11.675 -7.700 298 HG2 GLU 38 HG2 GLU 38 -8.696 9.883 -9.070 299 HG3 GLU 38 HG1 GLU 38 -8.081 8.749 -7.866 300 H VAL 39 HN VAL 39 -4.128 9.711 -7.678 301 HA VAL 39 HA VAL 39 -3.808 7.445 -9.500 302 HB VAL 39 HB VAL 39 -1.818 8.208 -7.396 303 HG11 VAL 39 HG11 VAL 39 -1.444 6.036 -8.370 304 HG12 VAL 39 HG12 VAL 39 -0.176 7.102 -8.935 305 HG13 VAL 39 HG13 VAL 39 -1.512 6.688 -9.993 306 HG21 VAL 39 HG21 VAL 39 -2.142 10.246 -8.665 307 HG22 VAL 39 HG22 VAL 39 -1.900 9.400 -10.185 308 HG23 VAL 39 HG23 VAL 39 -0.571 9.556 -9.039 309 H LEU 40 HN LEU 40 -4.214 5.561 -9.019 310 HA LEU 40 HA LEU 40 -4.837 4.929 -6.246 311 HB2 LEU 40 HB2 LEU 40 -5.842 3.615 -8.764 312 HB3 LEU 40 HB1 LEU 40 -6.321 3.256 -7.120 313 HG LEU 40 HG LEU 40 -6.934 5.775 -8.645 314 HD11 LEU 40 HD11 LEU 40 -8.223 3.857 -9.368 315 HD12 LEU 40 HD12 LEU 40 -9.240 5.001 -8.488 316 HD13 LEU 40 HD13 LEU 40 -8.688 3.522 -7.700 317 HD21 LEU 40 HD21 LEU 40 -8.286 6.382 -6.683 318 HD22 LEU 40 HD22 LEU 40 -6.564 6.263 -6.324 319 HD23 LEU 40 HD23 LEU 40 -7.648 4.965 -5.830 320 H TYR 41 HN TYR 41 -3.843 3.271 -5.449 321 HA TYR 41 HA TYR 41 -1.957 1.808 -7.132 322 HB2 TYR 41 HB2 TYR 41 -2.023 2.368 -4.183 323 HB3 TYR 41 HB1 TYR 41 -1.061 1.068 -4.851 324 HD1 TYR 41 HD1 TYR 41 -1.581 4.745 -5.188 325 HD2 TYR 41 HD2 TYR 41 1.109 1.482 -5.460 326 HE1 TYR 41 HE1 TYR 41 0.305 6.312 -5.474 327 HE2 TYR 41 HE2 TYR 41 2.992 3.037 -5.747 328 HH TYR 41 HH TYR 41 2.691 6.305 -5.058 329 H LEU 42 HN LEU 42 -1.964 -0.347 -6.977 330 HA LEU 42 HA LEU 42 -4.380 -1.502 -5.835 331 HB2 LEU 42 HB2 LEU 42 -3.980 -1.714 -8.306 332 HB3 LEU 42 HB1 LEU 42 -2.488 -2.560 -7.948 333 HG LEU 42 HG LEU 42 -3.753 -4.386 -6.940 334 HD11 LEU 42 HD11 LEU 42 -6.206 -4.434 -7.190 335 HD12 LEU 42 HD12 LEU 42 -6.165 -2.766 -7.768 336 HD13 LEU 42 HD13 LEU 42 -5.675 -3.144 -6.117 337 HD21 LEU 42 HD21 LEU 42 -4.755 -5.242 -8.989 338 HD22 LEU 42 HD22 LEU 42 -3.215 -4.441 -9.312 339 HD23 LEU 42 HD23 LEU 42 -4.732 -3.621 -9.682 340 H VAL 43 HN VAL 43 -3.857 -2.114 -3.904 341 HA VAL 43 HA VAL 43 -1.183 -3.232 -3.382 342 HB VAL 43 HB VAL 43 -1.969 -0.879 -2.451 343 HG11 VAL 43 HG11 VAL 43 -3.990 -1.322 -1.583 344 HG12 VAL 43 HG12 VAL 43 -2.893 -0.742 -0.355 345 HG13 VAL 43 HG13 VAL 43 -3.331 -2.464 -0.414 346 HG21 VAL 43 HG21 VAL 43 -0.474 -2.811 -0.753 347 HG22 VAL 43 HG22 VAL 43 -0.486 -1.017 -0.613 348 HG23 VAL 43 HG23 VAL 43 0.127 -1.795 -2.043 349 H HIS 44 HN HIS 44 -1.172 -5.093 -2.292 350 HA HIS 44 HA HIS 44 -3.763 -6.073 -1.385 351 HB2 HIS 44 HB2 HIS 44 -3.143 -8.438 -2.000 352 HB3 HIS 44 HB1 HIS 44 -3.363 -7.380 -3.371 353 HD1 HIS 44 HD1 HIS 44 -1.841 -10.070 -3.500 354 HD2 HIS 44 HD2 HIS 44 -0.024 -6.369 -3.070 355 HE1 HIS 44 HE1 HIS 44 0.456 -10.345 -4.425 356 HE2 HIS 44 HE2 HIS 44 1.604 -8.259 -3.697 357 H TYR 45 HN TYR 45 -3.850 -7.403 0.404 358 HA TYR 45 HA TYR 45 -1.842 -6.475 2.285 359 HB2 TYR 45 HB2 TYR 45 -4.431 -7.930 2.888 360 HB3 TYR 45 HB1 TYR 45 -3.453 -6.983 3.996 361 HD1 TYR 45 HD1 TYR 45 -3.458 -4.523 3.874 362 HD2 TYR 45 HD2 TYR 45 -5.942 -6.844 1.324 363 HE1 TYR 45 HE1 TYR 45 -4.765 -2.519 3.313 364 HE2 TYR 45 HE2 TYR 45 -7.257 -4.846 0.767 365 HH TYR 45 HH TYR 45 -6.210 -1.729 1.458 366 H TYR 46 HN TYR 46 -0.133 -7.786 2.317 367 HA TYR 46 HA TYR 46 -0.122 -10.462 1.554 368 HB2 TYR 46 HB2 TYR 46 2.194 -10.516 2.398 369 HB3 TYR 46 HB1 TYR 46 1.880 -9.077 1.445 370 HD1 TYR 46 HD2 TYR 46 1.709 -6.859 2.573 371 HD2 TYR 46 HD1 TYR 46 2.764 -10.389 4.688 372 HE1 TYR 46 HE2 TYR 46 2.574 -5.492 4.432 373 HE2 TYR 46 HE1 TYR 46 3.624 -9.046 6.529 374 HH TYR 46 HH TYR 46 4.477 -6.865 6.905 375 H GLY 47 HN GLY 47 -0.131 -12.355 2.607 376 HA2 GLY 47 HA2 GLY 47 -0.122 -13.786 4.471 377 HA3 GLY 47 HA1 GLY 47 -0.368 -12.391 5.511 378 H TRP 48 HN TRP 48 -2.507 -11.221 4.526 379 HA TRP 48 HA TRP 48 -4.583 -13.143 5.212 380 HB2 TRP 48 HB2 TRP 48 -4.505 -11.119 6.521 381 HB3 TRP 48 HB1 TRP 48 -4.582 -10.122 5.080 382 HD1 TRP 48 HD1 TRP 48 -6.856 -9.009 4.938 383 HE1 TRP 48 HE1 TRP 48 -9.288 -9.664 5.457 384 HE3 TRP 48 HE3 TRP 48 -6.084 -13.748 6.704 385 HZ2 TRP 48 HZ2 TRP 48 -10.695 -11.871 6.473 386 HZ3 TRP 48 HZ3 TRP 48 -8.035 -15.062 7.428 387 HH2 TRP 48 HH2 TRP 48 -10.288 -14.140 7.315 388 H ASN 49 HN ASN 49 -4.129 -10.566 2.810 389 HA ASN 49 HA ASN 49 -6.124 -11.906 1.143 390 HB2 ASN 49 HB2 ASN 49 -5.432 -9.029 1.508 391 HB3 ASN 49 HB1 ASN 49 -6.246 -9.550 0.053 392 HD21 ASN 49 HD21 ASN 49 -7.226 -7.732 2.075 393 HD22 ASN 49 HD22 ASN 49 -8.624 -8.422 2.775 394 H VAL 50 HN VAL 50 -4.782 -13.220 0.034 395 HA VAL 50 HA VAL 50 -2.364 -12.309 -1.068 396 HB VAL 50 HB VAL 50 -2.342 -14.446 -2.423 397 HG11 VAL 50 HG11 VAL 50 -2.023 -15.891 -0.464 398 HG12 VAL 50 HG12 VAL 50 -2.813 -14.679 0.545 399 HG13 VAL 50 HG13 VAL 50 -1.283 -14.306 -0.245 400 HG21 VAL 50 HG21 VAL 50 -3.996 -16.185 -1.836 401 HG22 VAL 50 HG22 VAL 50 -4.749 -14.816 -2.651 402 HG23 VAL 50 HG23 VAL 50 -4.905 -14.994 -0.903 403 H ARG 51 HN ARG 51 -5.442 -13.030 -2.812 404 HA ARG 51 HA ARG 51 -4.367 -11.204 -4.822 405 HB2 ARG 51 HB2 ARG 51 -4.939 -13.558 -5.600 406 HB3 ARG 51 HB1 ARG 51 -6.631 -13.147 -5.313 407 HG2 ARG 51 HG2 ARG 51 -6.270 -11.160 -6.846 408 HG3 ARG 51 HG1 ARG 51 -4.742 -11.904 -7.297 409 HD2 ARG 51 HD2 ARG 51 -5.919 -13.854 -8.105 410 HD3 ARG 51 HD1 ARG 51 -7.451 -13.159 -7.561 411 HE ARG 51 HE ARG 51 -5.766 -11.847 -9.571 412 HH11 ARG 51 HH11 ARG 51 -8.920 -13.165 -8.648 413 HH12 ARG 51 HH12 ARG 51 -9.776 -12.461 -9.943 414 HH21 ARG 51 HH21 ARG 51 -6.914 -10.884 -11.363 415 HH22 ARG 51 HH22 ARG 51 -8.588 -11.094 -11.530 416 H TYR 52 HN TYR 52 -6.317 -11.021 -2.246 417 HA TYR 52 HA TYR 52 -8.359 -9.462 -3.581 418 HB2 TYR 52 HB2 TYR 52 -7.958 -9.741 -0.561 419 HB3 TYR 52 HB1 TYR 52 -9.202 -8.787 -1.327 420 HD1 TYR 52 HD1 TYR 52 -11.039 -9.905 -2.526 421 HD2 TYR 52 HD2 TYR 52 -8.154 -12.085 -0.294 422 HE1 TYR 52 HE1 TYR 52 -12.566 -11.825 -2.435 423 HE2 TYR 52 HE2 TYR 52 -9.672 -14.017 -0.209 424 HH TYR 52 HH TYR 52 -12.466 -14.184 -2.149 425 H ASP 53 HN ASP 53 -6.657 -8.363 -4.603 426 HA ASP 53 HA ASP 53 -5.187 -6.269 -3.369 427 HB2 ASP 53 HB2 ASP 53 -6.100 -6.644 -6.237 428 HB3 ASP 53 HB1 ASP 53 -4.958 -5.435 -5.692 429 H GLU 54 HN GLU 54 -5.770 -4.077 -3.250 430 HA GLU 54 HA GLU 54 -8.440 -3.332 -4.177 431 HB2 GLU 54 HB2 GLU 54 -8.541 -4.181 -1.776 432 HB3 GLU 54 HB1 GLU 54 -7.504 -2.840 -1.338 433 HG2 GLU 54 HG2 GLU 54 -9.173 -1.258 -1.766 434 HG3 GLU 54 HG1 GLU 54 -10.118 -2.383 -2.740 435 H TRP 55 HN TRP 55 -8.760 -1.070 -4.122 436 HA TRP 55 HA TRP 55 -6.317 0.190 -5.055 437 HB2 TRP 55 HB2 TRP 55 -9.212 0.886 -5.527 438 HB3 TRP 55 HB1 TRP 55 -7.825 1.691 -6.257 439 HD1 TRP 55 HD1 TRP 55 -9.775 -1.613 -6.372 440 HE1 TRP 55 HE1 TRP 55 -9.240 -2.790 -8.586 441 HE3 TRP 55 HE3 TRP 55 -6.022 1.441 -8.005 442 HZ2 TRP 55 HZ2 TRP 55 -7.419 -2.481 -10.737 443 HZ3 TRP 55 HZ3 TRP 55 -4.920 0.927 -10.129 444 HH2 TRP 55 HH2 TRP 55 -5.599 -0.993 -11.473 445 H VAL 56 HN VAL 56 -5.437 1.662 -3.911 446 HA VAL 56 HA VAL 56 -7.045 3.287 -2.084 447 HB VAL 56 HB VAL 56 -5.305 3.210 -0.388 448 HG11 VAL 56 HG11 VAL 56 -6.915 1.471 -0.151 449 HG12 VAL 56 HG12 VAL 56 -5.324 0.758 0.201 450 HG13 VAL 56 HG13 VAL 56 -6.093 0.483 -1.349 451 HG21 VAL 56 HG21 VAL 56 -3.751 1.369 -2.229 452 HG22 VAL 56 HG22 VAL 56 -3.286 1.813 -0.582 453 HG23 VAL 56 HG23 VAL 56 -3.350 3.040 -1.837 454 H LYS 57 HN LYS 57 -6.154 5.424 -1.825 455 HA LYS 57 HA LYS 57 -4.843 6.253 -4.222 456 HB2 LYS 57 HB2 LYS 57 -5.990 7.744 -1.926 457 HB3 LYS 57 HB1 LYS 57 -5.064 8.560 -3.184 458 HG2 LYS 57 HG2 LYS 57 -6.515 7.731 -4.858 459 HG3 LYS 57 HG1 LYS 57 -7.378 6.779 -3.623 460 HD2 LYS 57 HD2 LYS 57 -8.650 8.767 -4.197 461 HD3 LYS 57 HD1 LYS 57 -8.088 8.826 -2.525 462 HE2 LYS 57 HE2 LYS 57 -6.401 10.411 -3.085 463 HE3 LYS 57 HE1 LYS 57 -6.672 10.175 -4.812 464 HZ1 LYS 57 HZ1 LYS 57 -8.832 11.045 -4.600 465 HZ2 LYS 57 HZ2 LYS 57 -7.744 12.208 -3.984 466 HZ3 LYS 57 HZ3 LYS 57 -8.689 11.270 -2.938 467 H ALA 58 HN ALA 58 -3.130 7.550 -4.429 468 HA ALA 58 HA ALA 58 -0.778 6.567 -3.358 469 HB1 ALA 58 HB1 ALA 58 0.301 8.317 -4.576 470 HB2 ALA 58 HB2 ALA 58 -1.192 9.250 -4.637 471 HB3 ALA 58 HB3 ALA 58 -1.081 7.720 -5.509 472 H ASP 59 HN ASP 59 -2.608 9.429 -2.558 473 HA ASP 59 HA ASP 59 -0.709 10.341 -0.602 474 HB2 ASP 59 HB2 ASP 59 -2.357 12.096 -0.051 475 HB3 ASP 59 HB1 ASP 59 -2.015 12.011 -1.774 476 H ARG 60 HN ARG 60 -2.823 7.847 -0.489 477 HA ARG 60 HA ARG 60 -3.260 8.236 2.379 478 HB2 ARG 60 HB2 ARG 60 -4.580 6.265 0.516 479 HB3 ARG 60 HB1 ARG 60 -4.958 6.475 2.221 480 HG2 ARG 60 HG2 ARG 60 -5.537 8.871 1.664 481 HG3 ARG 60 HG1 ARG 60 -5.456 8.403 -0.033 482 HD2 ARG 60 HD2 ARG 60 -7.732 8.274 0.622 483 HD3 ARG 60 HD1 ARG 60 -7.133 6.627 0.482 484 HE ARG 60 HE ARG 60 -6.753 6.810 2.984 485 HH11 ARG 60 HH11 ARG 60 -9.537 8.316 1.340 486 HH12 ARG 60 HH12 ARG 60 -10.473 8.437 2.744 487 HH21 ARG 60 HH21 ARG 60 -8.094 7.025 4.945 488 HH22 ARG 60 HH22 ARG 60 -9.664 7.662 4.814 489 H ILE 61 HN ILE 61 -0.894 7.161 0.634 490 HA ILE 61 HA ILE 61 -0.531 4.683 2.103 491 HB ILE 61 HB ILE 61 0.726 5.650 -0.483 492 HG12 ILE 61 HG12 ILE 61 -1.204 3.412 0.124 493 HG13 ILE 61 HG11 ILE 61 -1.567 4.902 -0.734 494 HG21 ILE 61 HG21 ILE 61 1.150 3.065 0.986 495 HG22 ILE 61 HG22 ILE 61 2.336 4.373 0.839 496 HG23 ILE 61 HG23 ILE 61 1.818 3.470 -0.598 497 HD11 ILE 61 HD11 ILE 61 -1.347 3.058 -2.254 498 HD12 ILE 61 HD12 ILE 61 0.253 2.697 -1.646 499 HD13 ILE 61 HD13 ILE 61 -0.045 4.223 -2.522 500 H ILE 62 HN ILE 62 1.183 4.423 3.343 501 HA ILE 62 HA ILE 62 2.927 6.729 3.855 502 HB ILE 62 HB ILE 62 2.418 4.313 5.619 503 HG12 ILE 62 HG12 ILE 62 1.365 5.920 7.230 504 HG13 ILE 62 HG11 ILE 62 1.281 7.113 5.923 505 HG21 ILE 62 HG21 ILE 62 3.604 5.561 7.378 506 HG22 ILE 62 HG22 ILE 62 3.949 6.832 6.207 507 HG23 ILE 62 HG23 ILE 62 4.612 5.214 5.973 508 HD11 ILE 62 HD11 ILE 62 -0.191 5.522 4.713 509 HD12 ILE 62 HD12 ILE 62 -0.842 6.017 6.279 510 HD13 ILE 62 HD13 ILE 62 -0.076 4.436 6.101 511 H TRP 63 HN TRP 63 4.690 6.418 2.676 512 HA TRP 63 HA TRP 63 5.697 3.776 2.137 513 HB2 TRP 63 HB2 TRP 63 6.711 6.520 1.365 514 HB3 TRP 63 HB1 TRP 63 7.469 5.011 0.865 515 HD1 TRP 63 HD1 TRP 63 4.369 7.165 0.218 516 HE1 TRP 63 HE1 TRP 63 3.246 6.348 -1.944 517 HE3 TRP 63 HE3 TRP 63 7.154 2.975 -0.626 518 HZ2 TRP 63 HZ2 TRP 63 3.503 4.233 -3.765 519 HZ3 TRP 63 HZ3 TRP 63 6.650 1.602 -2.613 520 HH2 TRP 63 HH2 TRP 63 4.860 2.223 -4.148 521 HA PRO 64 HA PRO 64 8.211 3.683 5.836 522 HB2 PRO 64 HB2 PRO 64 9.971 1.962 4.185 523 HB3 PRO 64 HB1 PRO 64 9.236 1.619 5.752 524 HG2 PRO 64 HG2 PRO 64 8.315 0.459 3.543 525 HG3 PRO 64 HG1 PRO 64 7.209 0.995 4.819 526 HD2 PRO 64 HD2 PRO 64 7.796 2.254 2.173 527 HD3 PRO 64 HD1 PRO 64 6.267 2.131 3.079 528 H LEU 65 HN LEU 65 9.377 5.231 6.429 529 HA LEU 65 HA LEU 65 11.789 5.855 4.968 530 HB2 LEU 65 HB2 LEU 65 9.790 7.235 4.156 531 HB3 LEU 65 HB1 LEU 65 9.795 7.985 5.731 532 HG LEU 65 HG LEU 65 12.096 8.131 3.770 533 HD11 LEU 65 HD11 LEU 65 9.907 10.099 4.367 534 HD12 LEU 65 HD12 LEU 65 10.083 9.144 2.898 535 HD13 LEU 65 HD13 LEU 65 11.289 10.379 3.298 536 HD21 LEU 65 HD21 LEU 65 12.716 8.484 6.118 537 HD22 LEU 65 HD22 LEU 65 11.471 9.720 6.258 538 HD23 LEU 65 HD23 LEU 65 12.854 9.979 5.184 539 H ASP 66 HN ASP 66 12.841 4.967 6.690 540 HA ASP 66 HA ASP 66 14.131 5.018 8.493 541 HB2 ASP 66 HB2 ASP 66 14.508 7.412 7.886 542 HB3 ASP 66 HB1 ASP 66 13.189 7.857 8.955 543 H LYS 67 HN LYS 67 10.990 4.825 8.697 544 HA LYS 67 HA LYS 67 11.096 4.107 11.533 545 HB2 LYS 67 HB2 LYS 67 10.157 6.527 11.092 546 HB3 LYS 67 HB1 LYS 67 8.747 5.674 10.494 547 HG2 LYS 67 HG2 LYS 67 8.108 6.047 12.666 548 HG3 LYS 67 HG1 LYS 67 8.869 4.470 12.841 549 HD2 LYS 67 HD2 LYS 67 10.145 7.154 13.451 550 HD3 LYS 67 HD1 LYS 67 9.558 6.006 14.639 551 HE2 LYS 67 HE2 LYS 67 11.284 4.399 13.940 552 HE3 LYS 67 HE1 LYS 67 11.824 5.531 12.699 553 HZ1 LYS 67 HZ1 LYS 67 13.237 5.640 14.604 554 HZ2 LYS 67 HZ2 LYS 67 11.944 5.982 15.623 555 HZ3 LYS 67 HZ3 LYS 67 12.411 7.092 14.423 556 H GLY 68 HN GLY 68 11.112 2.636 9.081 557 HA2 GLY 68 HA2 GLY 68 8.492 1.293 9.300 558 HA3 GLY 68 HA1 GLY 68 9.322 1.479 7.764 559 H LEU 69 HN LEU 69 11.487 0.951 10.267 560 HA LEU 69 HA LEU 69 12.900 -0.601 10.813 561 HB2 LEU 69 HB2 LEU 69 10.454 -2.187 10.481 562 HB3 LEU 69 HB1 LEU 69 11.949 -3.060 10.814 563 HG LEU 69 HG LEU 69 10.747 -2.805 12.870 564 HD11 LEU 69 HD11 LEU 69 12.263 -1.535 14.271 565 HD12 LEU 69 HD12 LEU 69 12.948 -0.760 12.850 566 HD13 LEU 69 HD13 LEU 69 13.130 -2.502 13.078 567 HD21 LEU 69 HD21 LEU 69 10.042 -0.636 13.778 568 HD22 LEU 69 HD22 LEU 69 9.240 -0.998 12.249 569 HD23 LEU 69 HD23 LEU 69 10.576 0.154 12.294 570 H GLU 70 HN GLU 70 14.577 -1.530 10.035 571 HA GLU 70 HA GLU 70 14.744 -1.889 7.187 572 HB2 GLU 70 HB2 GLU 70 16.481 -0.953 9.047 573 HB3 GLU 70 HB1 GLU 70 16.974 -2.634 9.034 574 HG2 GLU 70 HG2 GLU 70 16.890 -0.859 6.597 575 HG3 GLU 70 HG1 GLU 70 18.319 -1.148 7.572 576 H HIS 71 HN HIS 71 15.697 -3.948 6.373 577 HA HIS 71 HA HIS 71 14.104 -6.110 7.435 578 HB2 HIS 71 HB2 HIS 71 15.808 -5.979 4.942 579 HB3 HIS 71 HB1 HIS 71 14.779 -7.331 5.387 580 HD1 HIS 71 HD1 HIS 71 14.723 -3.954 3.829 581 HD2 HIS 71 HD2 HIS 71 11.977 -6.790 5.159 582 HE1 HIS 71 HE1 HIS 71 12.546 -3.265 2.880 583 HE2 HIS 71 HE2 HIS 71 11.042 -5.184 3.347 584 H HIS 72 HN HIS 72 15.061 -6.793 9.224 585 HA HIS 72 HA HIS 72 17.858 -7.510 9.396 586 HB2 HIS 72 HB2 HIS 72 16.398 -6.839 11.386 587 HB3 HIS 72 HB1 HIS 72 15.572 -8.374 11.203 588 HD1 HIS 72 HD1 HIS 72 18.344 -6.817 12.934 589 HD2 HIS 72 HD2 HIS 72 17.428 -10.657 11.641 590 HE1 HIS 72 HE1 HIS 72 19.843 -8.332 14.214 591 HE2 HIS 72 HE2 HIS 72 19.129 -10.651 13.566 592 H HIS 73 HN HIS 73 14.870 -8.892 8.580 593 HA HIS 73 HA HIS 73 15.455 -11.644 8.630 594 HB2 HIS 73 HB2 HIS 73 13.179 -10.815 8.599 595 HB3 HIS 73 HB1 HIS 73 13.452 -10.003 7.068 596 HD1 HIS 73 HD1 HIS 73 12.947 -13.423 8.534 597 HD2 HIS 73 HD2 HIS 73 13.080 -11.577 4.826 598 HE1 HIS 73 HE1 HIS 73 12.070 -15.117 6.902 599 HE2 HIS 73 HE2 HIS 73 12.080 -13.946 4.688 600 H HIS 74 HN HIS 74 16.555 -12.875 7.259 601 HA HIS 74 HA HIS 74 18.302 -12.137 5.281 602 HB2 HIS 74 HB2 HIS 74 18.209 -14.378 6.307 603 HB3 HIS 74 HB1 HIS 74 16.701 -14.701 5.472 604 HD1 HIS 74 HD1 HIS 74 20.268 -15.132 5.195 605 HD2 HIS 74 HD2 HIS 74 17.094 -14.900 2.547 606 HE1 HIS 74 HE1 HIS 74 21.090 -16.182 3.063 607 HE2 HIS 74 HE2 HIS 74 19.095 -16.144 1.521 608 H HIS 75 HN HIS 75 18.073 -11.345 3.280 609 HA HIS 75 HA HIS 75 15.684 -11.900 1.739 610 HB2 HIS 75 HB2 HIS 75 15.083 -9.558 1.443 611 HB3 HIS 75 HB1 HIS 75 15.053 -9.967 3.146 612 HD1 HIS 75 HD1 HIS 75 16.436 -7.519 0.797 613 HD2 HIS 75 HD2 HIS 75 17.409 -8.926 4.587 614 HE1 HIS 75 HE1 HIS 75 17.933 -5.788 1.794 615 HE2 HIS 75 HE2 HIS 75 18.714 -6.801 3.967 616 H HIS 76 HN HIS 76 15.917 -10.462 -0.342 617 HA HIS 76 HA HIS 76 18.603 -10.869 -1.340 618 HB2 HIS 76 HB2 HIS 76 16.612 -11.501 -2.711 619 HB3 HIS 76 HB1 HIS 76 16.115 -9.813 -2.730 620 HD1 HIS 76 HD1 HIS 76 17.037 -8.413 -4.594 621 HD2 HIS 76 HD2 HIS 76 19.085 -11.986 -4.109 622 HE1 HIS 76 HE1 HIS 76 18.593 -8.561 -6.553 623 HE2 HIS 76 HE2 HIS 76 19.607 -10.849 -6.363 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 16.134 0.225 -15.026 2 H2 GLU 1 HT2 GLU 1 17.821 0.386 -15.011 3 H3 GLU 1 HT3 GLU 1 17.086 -0.900 -15.833 4 HA GLU 1 HA GLU 1 16.658 1.897 -16.540 5 HB2 GLU 1 HB2 GLU 1 18.595 -0.121 -17.682 6 HB3 GLU 1 HB1 GLU 1 18.106 1.317 -18.556 7 HG2 GLU 1 HG2 GLU 1 20.164 1.856 -17.611 8 HG3 GLU 1 HG1 GLU 1 18.987 2.639 -16.564 9 H ASP 2 HN ASP 2 15.748 2.064 -18.725 10 HA ASP 2 HA ASP 2 14.199 1.648 -20.281 11 HB2 ASP 2 HB2 ASP 2 15.103 -1.194 -19.853 12 HB3 ASP 2 HB1 ASP 2 13.831 -0.800 -21.001 13 H MET 3 HN MET 3 13.469 1.726 -17.456 14 HA MET 3 HA MET 3 10.735 0.994 -17.816 15 HB2 MET 3 HB2 MET 3 10.542 -0.417 -15.824 16 HB3 MET 3 HB1 MET 3 11.625 -1.149 -16.993 17 HG2 MET 3 HG2 MET 3 13.550 -0.369 -15.682 18 HG3 MET 3 HG1 MET 3 12.444 0.344 -14.508 19 HE1 MET 3 HE1 MET 3 13.954 -2.774 -12.617 20 HE2 MET 3 HE2 MET 3 13.743 -1.022 -12.587 21 HE3 MET 3 HE3 MET 3 14.793 -1.761 -13.794 22 H GLU 4 HN GLU 4 9.489 1.648 -15.894 23 HA GLU 4 HA GLU 4 10.515 4.148 -14.829 24 HB2 GLU 4 HB2 GLU 4 7.780 2.854 -14.829 25 HB3 GLU 4 HB1 GLU 4 8.133 4.444 -14.163 26 HG2 GLU 4 HG2 GLU 4 8.578 5.344 -16.274 27 HG3 GLU 4 HG1 GLU 4 8.717 3.752 -17.009 28 HA PRO 5 HA PRO 5 11.185 2.143 -10.902 29 HB2 PRO 5 HB2 PRO 5 10.199 4.555 -9.515 30 HB3 PRO 5 HB1 PRO 5 11.810 3.819 -9.480 31 HG2 PRO 5 HG2 PRO 5 11.385 6.140 -10.755 32 HG3 PRO 5 HG1 PRO 5 12.511 4.917 -11.372 33 HD2 PRO 5 HD2 PRO 5 9.694 5.482 -12.238 34 HD3 PRO 5 HD1 PRO 5 11.138 5.195 -13.235 35 H CYS 6 HN CYS 6 9.676 0.621 -10.733 36 HA CYS 6 HA CYS 6 6.913 1.307 -10.278 37 HB2 CYS 6 HB2 CYS 6 8.196 -1.416 -10.488 38 HB3 CYS 6 HB1 CYS 6 6.480 -1.009 -10.574 39 HG CYS 6 HG CYS 6 8.652 0.285 -12.844 40 H LEU 7 HN LEU 7 5.759 0.267 -8.519 41 HA LEU 7 HA LEU 7 7.415 0.274 -6.104 42 HB2 LEU 7 HB2 LEU 7 4.460 0.846 -6.446 43 HB3 LEU 7 HB1 LEU 7 5.339 0.927 -4.935 44 HG LEU 7 HG LEU 7 4.987 3.156 -5.604 45 HD11 LEU 7 HD11 LEU 7 7.792 2.452 -6.381 46 HD12 LEU 7 HD12 LEU 7 7.191 2.798 -4.760 47 HD13 LEU 7 HD13 LEU 7 7.204 4.067 -5.989 48 HD21 LEU 7 HD21 LEU 7 6.045 2.460 -8.353 49 HD22 LEU 7 HD22 LEU 7 5.597 4.080 -7.822 50 HD23 LEU 7 HD23 LEU 7 4.368 2.828 -7.968 51 H THR 8 HN THR 8 6.597 -1.867 -8.084 52 HA THR 8 HA THR 8 4.756 -3.634 -6.997 53 HB THR 8 HB THR 8 6.161 -5.220 -8.527 54 HG1 THR 8 HG1 THR 8 7.335 -3.915 -10.046 55 HG21 THR 8 HG21 THR 8 3.980 -4.236 -9.149 56 HG22 THR 8 HG22 THR 8 5.094 -4.251 -10.517 57 HG23 THR 8 HG23 THR 8 4.800 -2.753 -9.634 58 H GLY 9 HN GLY 9 4.932 -4.725 -5.158 59 HA2 GLY 9 HA2 GLY 9 5.870 -6.344 -3.756 60 HA3 GLY 9 HA1 GLY 9 7.413 -6.109 -4.557 61 H THR 10 HN THR 10 6.341 -3.086 -3.868 62 HA THR 10 HA THR 10 8.109 -2.870 -1.622 63 HB THR 10 HB THR 10 6.265 -0.822 -2.854 64 HG1 THR 10 HG1 THR 10 8.331 -1.918 -3.930 65 HG21 THR 10 HG21 THR 10 7.737 0.853 -1.773 66 HG22 THR 10 HG22 THR 10 8.638 -0.456 -1.006 67 HG23 THR 10 HG23 THR 10 6.945 -0.187 -0.586 68 H LYS 11 HN LYS 11 7.576 -2.806 0.428 69 HA LYS 11 HA LYS 11 4.849 -3.433 1.209 70 HB2 LYS 11 HB2 LYS 11 7.247 -3.087 3.049 71 HB3 LYS 11 HB1 LYS 11 5.694 -3.860 3.354 72 HG2 LYS 11 HG2 LYS 11 7.687 -4.938 1.392 73 HG3 LYS 11 HG1 LYS 11 7.623 -5.423 3.078 74 HD2 LYS 11 HD2 LYS 11 5.314 -5.686 1.143 75 HD3 LYS 11 HD1 LYS 11 6.474 -6.964 1.461 76 HE2 LYS 11 HE2 LYS 11 4.506 -7.417 2.758 77 HE3 LYS 11 HE1 LYS 11 5.765 -6.915 3.875 78 HZ1 LYS 11 HZ1 LYS 11 3.509 -6.004 4.277 79 HZ2 LYS 11 HZ2 LYS 11 3.639 -5.061 2.890 80 HZ3 LYS 11 HZ3 LYS 11 4.689 -4.833 4.197 81 H VAL 12 HN VAL 12 3.526 -1.960 2.085 82 HA VAL 12 HA VAL 12 4.602 0.625 2.950 83 HB VAL 12 HB VAL 12 2.733 1.797 1.815 84 HG11 VAL 12 HG11 VAL 12 4.436 0.179 -0.073 85 HG12 VAL 12 HG12 VAL 12 4.885 1.705 0.688 86 HG13 VAL 12 HG13 VAL 12 3.573 1.658 -0.483 87 HG21 VAL 12 HG21 VAL 12 1.403 0.652 0.094 88 HG22 VAL 12 HG22 VAL 12 1.147 -0.055 1.689 89 HG23 VAL 12 HG23 VAL 12 2.177 -0.877 0.516 90 H LYS 13 HN LYS 13 2.657 1.873 3.979 91 HA LYS 13 HA LYS 13 0.946 -0.060 5.308 92 HB2 LYS 13 HB2 LYS 13 2.593 0.783 6.931 93 HB3 LYS 13 HB1 LYS 13 2.174 2.437 6.516 94 HG2 LYS 13 HG2 LYS 13 0.112 2.328 7.598 95 HG3 LYS 13 HG1 LYS 13 0.125 0.565 7.633 96 HD2 LYS 13 HD2 LYS 13 0.603 1.733 9.826 97 HD3 LYS 13 HD1 LYS 13 1.779 0.519 9.319 98 HE2 LYS 13 HE2 LYS 13 3.214 2.223 8.482 99 HE3 LYS 13 HE1 LYS 13 2.061 3.501 8.912 100 HZ1 LYS 13 HZ1 LYS 13 3.820 3.313 10.577 101 HZ2 LYS 13 HZ2 LYS 13 3.516 1.681 10.773 102 HZ3 LYS 13 HZ3 LYS 13 2.362 2.806 11.255 103 H VAL 14 HN VAL 14 -1.192 0.691 5.714 104 HA VAL 14 HA VAL 14 -1.881 2.904 3.966 105 HB VAL 14 HB VAL 14 -3.160 0.146 3.991 106 HG11 VAL 14 HG11 VAL 14 -3.931 2.543 2.348 107 HG12 VAL 14 HG12 VAL 14 -4.784 1.988 3.782 108 HG13 VAL 14 HG13 VAL 14 -4.703 0.947 2.356 109 HG21 VAL 14 HG21 VAL 14 -1.074 0.262 2.686 110 HG22 VAL 14 HG22 VAL 14 -1.748 1.591 1.733 111 HG23 VAL 14 HG23 VAL 14 -2.485 -0.003 1.669 112 H LYS 15 HN LYS 15 -3.294 4.197 4.823 113 HA LYS 15 HA LYS 15 -4.887 3.410 7.170 114 HB2 LYS 15 HB2 LYS 15 -3.059 5.163 7.503 115 HB3 LYS 15 HB1 LYS 15 -3.850 6.100 6.251 116 HG2 LYS 15 HG2 LYS 15 -5.786 6.427 7.668 117 HG3 LYS 15 HG1 LYS 15 -5.081 5.421 8.931 118 HD2 LYS 15 HD2 LYS 15 -3.162 6.987 9.057 119 HD3 LYS 15 HD1 LYS 15 -3.948 8.011 7.861 120 HE2 LYS 15 HE2 LYS 15 -5.859 8.287 9.425 121 HE3 LYS 15 HE1 LYS 15 -4.986 7.325 10.607 122 HZ1 LYS 15 HZ1 LYS 15 -4.710 9.713 11.011 123 HZ2 LYS 15 HZ2 LYS 15 -3.994 9.923 9.510 124 HZ3 LYS 15 HZ3 LYS 15 -3.248 8.983 10.675 125 H TYR 16 HN TYR 16 -6.856 2.954 6.107 126 HA TYR 16 HA TYR 16 -7.809 4.920 4.171 127 HB2 TYR 16 HB2 TYR 16 -6.472 3.563 2.762 128 HB3 TYR 16 HB1 TYR 16 -7.096 2.091 3.468 129 HD1 TYR 16 HD2 TYR 16 -8.301 5.074 1.522 130 HD2 TYR 16 HD1 TYR 16 -8.648 0.909 2.279 131 HE1 TYR 16 HE2 TYR 16 -9.914 4.865 -0.339 132 HE2 TYR 16 HE1 TYR 16 -10.238 0.694 0.433 133 HH TYR 16 HH TYR 16 -11.777 2.035 -0.802 134 H GLY 17 HN GLY 17 -9.857 5.302 4.507 135 HA2 GLY 17 HA2 GLY 17 -11.806 3.394 4.222 136 HA3 GLY 17 HA1 GLY 17 -11.689 3.705 5.936 137 H ARG 18 HN ARG 18 -13.935 4.289 4.761 138 HA ARG 18 HA ARG 18 -13.891 7.127 4.263 139 HB2 ARG 18 HB2 ARG 18 -16.336 6.824 3.833 140 HB3 ARG 18 HB1 ARG 18 -15.285 5.921 2.760 141 HG2 ARG 18 HG2 ARG 18 -15.718 3.890 4.183 142 HG3 ARG 18 HG1 ARG 18 -16.915 4.848 5.057 143 HD2 ARG 18 HD2 ARG 18 -17.943 3.509 3.291 144 HD3 ARG 18 HD1 ARG 18 -18.134 5.239 2.980 145 HE ARG 18 HE ARG 18 -16.185 3.472 1.666 146 HH11 ARG 18 HH11 ARG 18 -18.252 6.363 1.588 147 HH12 ARG 18 HH12 ARG 18 -17.844 6.744 -0.031 148 HH21 ARG 18 HH21 ARG 18 -15.653 4.043 -0.536 149 HH22 ARG 18 HH22 ARG 18 -16.351 5.434 -1.232 150 H GLY 19 HN GLY 19 -13.837 8.397 5.893 151 HA2 GLY 19 HA2 GLY 19 -14.367 9.444 7.837 152 HA3 GLY 19 HA1 GLY 19 -15.851 8.506 7.847 153 H LYS 20 HN LYS 20 -16.040 6.839 9.177 154 HA LYS 20 HA LYS 20 -13.955 6.568 11.187 155 HB2 LYS 20 HB2 LYS 20 -16.230 7.097 11.930 156 HB3 LYS 20 HB1 LYS 20 -16.823 5.631 11.169 157 HG2 LYS 20 HG2 LYS 20 -15.552 4.277 12.687 158 HG3 LYS 20 HG1 LYS 20 -14.823 5.714 13.399 159 HD2 LYS 20 HD2 LYS 20 -17.029 6.455 14.142 160 HD3 LYS 20 HD1 LYS 20 -17.747 4.999 13.440 161 HE2 LYS 20 HE2 LYS 20 -17.376 4.795 15.850 162 HE3 LYS 20 HE1 LYS 20 -16.450 3.609 14.931 163 HZ1 LYS 20 HZ1 LYS 20 -15.150 4.642 16.701 164 HZ2 LYS 20 HZ2 LYS 20 -15.375 6.152 16.026 165 HZ3 LYS 20 HZ3 LYS 20 -14.476 4.980 15.202 166 H THR 21 HN THR 21 -15.294 4.929 8.530 167 HA THR 21 HA THR 21 -14.726 2.234 9.323 168 HB THR 21 HB THR 21 -15.263 3.324 6.540 169 HG1 THR 21 HG1 THR 21 -17.451 3.275 7.082 170 HG21 THR 21 HG21 THR 21 -16.422 1.180 6.228 171 HG22 THR 21 HG22 THR 21 -16.050 0.719 7.891 172 HG23 THR 21 HG23 THR 21 -14.751 0.905 6.714 173 H GLN 22 HN GLN 22 -12.457 3.997 9.514 174 HA GLN 22 HA GLN 22 -10.662 3.204 7.324 175 HB2 GLN 22 HB2 GLN 22 -10.902 5.624 7.605 176 HB3 GLN 22 HB1 GLN 22 -10.465 5.476 9.296 177 HG2 GLN 22 HG2 GLN 22 -8.233 4.814 8.718 178 HG3 GLN 22 HG1 GLN 22 -8.662 4.724 7.013 179 HE21 GLN 22 HE21 GLN 22 -8.117 6.837 9.691 180 HE22 GLN 22 HE22 GLN 22 -7.890 8.268 8.747 181 H LYS 23 HN LYS 23 -9.152 1.909 7.564 182 HA LYS 23 HA LYS 23 -8.426 1.096 10.282 183 HB2 LYS 23 HB2 LYS 23 -8.534 -0.599 7.773 184 HB3 LYS 23 HB1 LYS 23 -7.891 -1.122 9.305 185 HG2 LYS 23 HG2 LYS 23 -10.012 -2.100 9.166 186 HG3 LYS 23 HG1 LYS 23 -10.191 -0.734 10.261 187 HD2 LYS 23 HD2 LYS 23 -12.096 -0.842 8.777 188 HD3 LYS 23 HD1 LYS 23 -11.144 0.592 8.421 189 HE2 LYS 23 HE2 LYS 23 -10.152 -0.478 6.485 190 HE3 LYS 23 HE1 LYS 23 -10.959 -1.996 6.877 191 HZ1 LYS 23 HZ1 LYS 23 -12.376 0.534 6.196 192 HZ2 LYS 23 HZ2 LYS 23 -13.063 -0.985 6.432 193 HZ3 LYS 23 HZ3 LYS 23 -12.076 -0.721 5.113 194 H ILE 24 HN ILE 24 -6.226 0.789 10.630 195 HA ILE 24 HA ILE 24 -4.475 1.558 8.428 196 HB ILE 24 HB ILE 24 -3.839 1.357 11.389 197 HG12 ILE 24 HG12 ILE 24 -4.237 3.867 9.777 198 HG13 ILE 24 HG11 ILE 24 -5.541 3.141 10.708 199 HG21 ILE 24 HG21 ILE 24 -1.895 1.083 9.932 200 HG22 ILE 24 HG22 ILE 24 -1.808 2.673 10.702 201 HG23 ILE 24 HG23 ILE 24 -2.333 2.518 9.024 202 HD11 ILE 24 HD11 ILE 24 -4.249 3.396 12.713 203 HD12 ILE 24 HD12 ILE 24 -4.493 4.957 11.922 204 HD13 ILE 24 HD13 ILE 24 -2.922 4.132 11.812 205 H TYR 25 HN TYR 25 -3.356 0.048 7.559 206 HA TYR 25 HA TYR 25 -2.592 -2.340 8.920 207 HB2 TYR 25 HB2 TYR 25 -3.570 -3.633 6.782 208 HB3 TYR 25 HB1 TYR 25 -4.487 -3.431 8.257 209 HD1 TYR 25 HD2 TYR 25 -4.032 -0.754 5.667 210 HD2 TYR 25 HD1 TYR 25 -6.628 -3.661 7.350 211 HE1 TYR 25 HE2 TYR 25 -5.922 0.185 4.383 212 HE2 TYR 25 HE1 TYR 25 -8.509 -2.730 6.082 213 HH TYR 25 HH TYR 25 -8.121 -0.795 3.491 214 H GLU 26 HN GLU 26 -1.219 -3.724 7.395 215 HA GLU 26 HA GLU 26 0.323 -1.825 5.793 216 HB2 GLU 26 HB2 GLU 26 1.193 -4.253 7.317 217 HB3 GLU 26 HB1 GLU 26 2.206 -3.511 6.100 218 HG2 GLU 26 HG2 GLU 26 2.120 -1.371 7.443 219 HG3 GLU 26 HG1 GLU 26 1.220 -2.271 8.659 220 H ALA 27 HN ALA 27 0.944 -2.296 3.766 221 HA ALA 27 HA ALA 27 -0.228 -4.699 2.558 222 HB1 ALA 27 HB1 ALA 27 -1.103 -3.401 0.743 223 HB2 ALA 27 HB2 ALA 27 -0.480 -1.915 1.457 224 HB3 ALA 27 HB3 ALA 27 -1.765 -2.815 2.267 225 H SER 28 HN SER 28 0.418 -4.638 0.116 226 HA SER 28 HA SER 28 3.129 -3.635 -0.304 227 HB2 SER 28 HB2 SER 28 2.164 -6.371 -1.147 228 HB3 SER 28 HB1 SER 28 3.816 -5.740 -1.177 229 HG SER 28 HG SER 28 2.227 -6.478 1.019 230 H ILE 29 HN ILE 29 3.370 -2.906 -2.427 231 HA ILE 29 HA ILE 29 0.907 -2.363 -3.811 232 HB ILE 29 HB ILE 29 3.708 -1.735 -4.751 233 HG12 ILE 29 HG12 ILE 29 3.432 -0.756 -2.539 234 HG13 ILE 29 HG11 ILE 29 3.388 0.512 -3.754 235 HG21 ILE 29 HG21 ILE 29 2.071 -1.526 -6.508 236 HG22 ILE 29 HG22 ILE 29 2.600 0.083 -6.023 237 HG23 ILE 29 HG23 ILE 29 1.042 -0.538 -5.479 238 HD11 ILE 29 HD11 ILE 29 1.060 -0.671 -2.278 239 HD12 ILE 29 HD12 ILE 29 0.915 0.513 -3.577 240 HD13 ILE 29 HD13 ILE 29 1.738 0.945 -2.075 241 H LYS 30 HN LYS 30 0.126 -3.244 -5.578 242 HA LYS 30 HA LYS 30 1.544 -5.472 -6.889 243 HB2 LYS 30 HB2 LYS 30 -0.764 -5.803 -5.832 244 HB3 LYS 30 HB1 LYS 30 -1.391 -4.711 -7.043 245 HG2 LYS 30 HG2 LYS 30 -0.020 -7.327 -7.697 246 HG3 LYS 30 HG1 LYS 30 -1.758 -7.162 -7.480 247 HD2 LYS 30 HD2 LYS 30 -1.794 -5.562 -9.376 248 HD3 LYS 30 HD1 LYS 30 -0.055 -5.782 -9.546 249 HE2 LYS 30 HE2 LYS 30 -2.134 -7.952 -9.858 250 HE3 LYS 30 HE1 LYS 30 -1.332 -7.121 -11.178 251 HZ1 LYS 30 HZ1 LYS 30 0.783 -7.988 -10.347 252 HZ2 LYS 30 HZ2 LYS 30 -0.300 -9.198 -10.791 253 HZ3 LYS 30 HZ3 LYS 30 -0.049 -8.868 -9.152 254 H SER 31 HN SER 31 -0.634 -2.726 -7.741 255 HA SER 31 HA SER 31 1.028 -2.151 -10.031 256 HB2 SER 31 HB2 SER 31 -1.028 -2.201 -11.502 257 HB3 SER 31 HB1 SER 31 -0.456 -3.784 -10.967 258 HG SER 31 HG SER 31 -2.779 -3.375 -10.754 259 H THR 32 HN THR 32 -0.301 -0.257 -11.293 260 HA THR 32 HA THR 32 -1.351 1.629 -9.309 261 HB THR 32 HB THR 32 0.344 2.755 -11.428 262 HG1 THR 32 HG1 THR 32 2.162 1.843 -10.893 263 HG21 THR 32 HG21 THR 32 -0.586 4.081 -9.630 264 HG22 THR 32 HG22 THR 32 1.183 4.086 -9.553 265 HG23 THR 32 HG23 THR 32 0.259 3.082 -8.447 266 H GLU 33 HN GLU 33 -2.974 2.982 -10.276 267 HA GLU 33 HA GLU 33 -3.123 2.951 -13.184 268 HB2 GLU 33 HB2 GLU 33 -5.503 2.759 -13.252 269 HB3 GLU 33 HB1 GLU 33 -4.891 1.381 -12.325 270 HG2 GLU 33 HG2 GLU 33 -5.662 2.371 -10.288 271 HG3 GLU 33 HG1 GLU 33 -6.046 3.888 -11.113 272 H ILE 34 HN ILE 34 -4.126 4.831 -14.036 273 HA ILE 34 HA ILE 34 -4.329 6.960 -12.065 274 HB ILE 34 HB ILE 34 -3.478 7.199 -14.956 275 HG12 ILE 34 HG12 ILE 34 -1.394 8.289 -14.045 276 HG13 ILE 34 HG11 ILE 34 -1.967 7.935 -12.425 277 HG21 ILE 34 HG21 ILE 34 -4.002 9.432 -12.988 278 HG22 ILE 34 HG22 ILE 34 -4.938 9.052 -14.429 279 HG23 ILE 34 HG23 ILE 34 -3.282 9.648 -14.586 280 HD11 ILE 34 HD11 ILE 34 -1.213 5.908 -14.521 281 HD12 ILE 34 HD12 ILE 34 -1.827 5.584 -12.893 282 HD13 ILE 34 HD13 ILE 34 -0.257 6.370 -13.095 283 H ASP 35 HN ASP 35 -6.270 7.674 -11.925 284 HA ASP 35 HA ASP 35 -8.194 7.290 -14.120 285 HB2 ASP 35 HB2 ASP 35 -8.388 5.395 -12.544 286 HB3 ASP 35 HB1 ASP 35 -8.682 6.535 -11.241 287 H ASP 36 HN ASP 36 -9.048 9.187 -14.574 288 HA ASP 36 HA ASP 36 -10.090 11.207 -14.427 289 HB2 ASP 36 HB2 ASP 36 -11.632 10.014 -12.854 290 HB3 ASP 36 HB1 ASP 36 -10.540 10.414 -11.541 291 H GLY 37 HN GLY 37 -7.253 10.808 -13.755 292 HA2 GLY 37 HA2 GLY 37 -5.651 12.528 -13.642 293 HA3 GLY 37 HA1 GLY 37 -6.808 13.514 -12.760 294 H GLU 38 HN GLU 38 -7.095 10.727 -11.149 295 HA GLU 38 HA GLU 38 -4.794 11.367 -9.471 296 HB2 GLU 38 HB2 GLU 38 -6.051 10.429 -7.538 297 HB3 GLU 38 HB1 GLU 38 -6.781 11.870 -8.213 298 HG2 GLU 38 HG2 GLU 38 -8.518 10.565 -9.246 299 HG3 GLU 38 HG1 GLU 38 -7.722 9.066 -8.765 300 H VAL 39 HN VAL 39 -3.577 9.817 -8.597 301 HA VAL 39 HA VAL 39 -3.663 7.368 -10.169 302 HB VAL 39 HB VAL 39 -1.607 8.683 -10.371 303 HG11 VAL 39 HG11 VAL 39 -1.585 9.787 -8.262 304 HG12 VAL 39 HG12 VAL 39 -0.046 8.960 -8.526 305 HG13 VAL 39 HG13 VAL 39 -1.253 8.270 -7.427 306 HG21 VAL 39 HG21 VAL 39 -1.167 6.093 -8.889 307 HG22 VAL 39 HG22 VAL 39 -0.001 6.882 -9.961 308 HG23 VAL 39 HG23 VAL 39 -1.533 6.270 -10.599 309 H LEU 40 HN LEU 40 -4.161 5.590 -9.362 310 HA LEU 40 HA LEU 40 -4.561 5.299 -6.474 311 HB2 LEU 40 HB2 LEU 40 -5.777 3.814 -8.776 312 HB3 LEU 40 HB1 LEU 40 -6.196 3.629 -7.087 313 HG LEU 40 HG LEU 40 -6.652 6.098 -8.749 314 HD11 LEU 40 HD11 LEU 40 -8.992 5.457 -8.679 315 HD12 LEU 40 HD12 LEU 40 -8.572 3.987 -7.785 316 HD13 LEU 40 HD13 LEU 40 -8.010 4.203 -9.443 317 HD21 LEU 40 HD21 LEU 40 -7.515 5.389 -5.946 318 HD22 LEU 40 HD22 LEU 40 -7.990 6.842 -6.836 319 HD23 LEU 40 HD23 LEU 40 -6.303 6.587 -6.396 320 H TYR 41 HN TYR 41 -3.774 3.488 -5.532 321 HA TYR 41 HA TYR 41 -2.026 1.822 -7.173 322 HB2 TYR 41 HB2 TYR 41 -1.823 2.683 -4.308 323 HB3 TYR 41 HB1 TYR 41 -0.959 1.280 -4.920 324 HD1 TYR 41 HD2 TYR 41 -1.447 4.893 -5.538 325 HD2 TYR 41 HD1 TYR 41 1.093 1.541 -5.879 326 HE1 TYR 41 HE2 TYR 41 0.390 6.364 -6.336 327 HE2 TYR 41 HE1 TYR 41 2.918 2.967 -6.666 328 HH TYR 41 HH TYR 41 3.233 5.101 -7.717 329 H LEU 42 HN LEU 42 -2.017 -0.320 -6.776 330 HA LEU 42 HA LEU 42 -4.382 -1.301 -5.395 331 HB2 LEU 42 HB2 LEU 42 -4.279 -1.904 -7.740 332 HB3 LEU 42 HB1 LEU 42 -2.655 -2.525 -7.540 333 HG LEU 42 HG LEU 42 -3.477 -4.350 -6.174 334 HD11 LEU 42 HD11 LEU 42 -6.208 -3.142 -6.606 335 HD12 LEU 42 HD12 LEU 42 -5.325 -3.196 -5.078 336 HD13 LEU 42 HD13 LEU 42 -5.863 -4.691 -5.835 337 HD21 LEU 42 HD21 LEU 42 -5.063 -3.976 -8.695 338 HD22 LEU 42 HD22 LEU 42 -4.772 -5.508 -7.869 339 HD23 LEU 42 HD23 LEU 42 -3.425 -4.616 -8.586 340 H VAL 43 HN VAL 43 -3.978 -2.113 -3.521 341 HA VAL 43 HA VAL 43 -1.258 -2.994 -2.929 342 HB VAL 43 HB VAL 43 -1.435 -2.032 -0.736 343 HG11 VAL 43 HG11 VAL 43 -0.858 -0.449 -2.468 344 HG12 VAL 43 HG12 VAL 43 -1.709 0.321 -1.130 345 HG13 VAL 43 HG13 VAL 43 -2.555 -0.011 -2.640 346 HG21 VAL 43 HG21 VAL 43 -3.768 -2.576 -0.217 347 HG22 VAL 43 HG22 VAL 43 -4.314 -1.361 -1.366 348 HG23 VAL 43 HG23 VAL 43 -3.459 -0.865 0.089 349 H HIS 44 HN HIS 44 -1.089 -4.906 -1.876 350 HA HIS 44 HA HIS 44 -3.514 -5.981 -0.741 351 HB2 HIS 44 HB2 HIS 44 -2.918 -8.352 -1.431 352 HB3 HIS 44 HB1 HIS 44 -3.504 -7.303 -2.704 353 HD1 HIS 44 HD1 HIS 44 -2.329 -7.536 -4.716 354 HD2 HIS 44 HD2 HIS 44 0.098 -8.460 -1.501 355 HE1 HIS 44 HE1 HIS 44 -0.126 -8.351 -5.724 356 HE2 HIS 44 HE2 HIS 44 1.264 -9.026 -3.747 357 H TYR 45 HN TYR 45 -3.426 -7.184 0.953 358 HA TYR 45 HA TYR 45 -1.135 -6.509 2.646 359 HB2 TYR 45 HB2 TYR 45 -3.867 -7.529 3.455 360 HB3 TYR 45 HB1 TYR 45 -2.685 -6.686 4.452 361 HD1 TYR 45 HD1 TYR 45 -5.238 -6.286 1.825 362 HD2 TYR 45 HD2 TYR 45 -2.486 -4.270 4.344 363 HE1 TYR 45 HE1 TYR 45 -6.284 -4.142 1.226 364 HE2 TYR 45 HE2 TYR 45 -3.524 -2.127 3.756 365 HH TYR 45 HH TYR 45 -6.486 -1.841 2.054 366 H TYR 46 HN TYR 46 0.127 -8.040 3.489 367 HA TYR 46 HA TYR 46 -0.602 -10.817 3.020 368 HB2 TYR 46 HB2 TYR 46 2.089 -9.577 3.599 369 HB3 TYR 46 HB1 TYR 46 1.802 -11.309 3.531 370 HD1 TYR 46 HD1 TYR 46 0.770 -12.186 1.315 371 HD2 TYR 46 HD2 TYR 46 2.751 -8.464 1.702 372 HE1 TYR 46 HE1 TYR 46 1.221 -12.191 -1.099 373 HE2 TYR 46 HE2 TYR 46 3.213 -8.448 -0.714 374 HH TYR 46 HH TYR 46 3.455 -10.146 -2.524 375 H GLY 47 HN GLY 47 -2.009 -10.958 4.731 376 HA2 GLY 47 HA2 GLY 47 -0.646 -11.164 7.336 377 HA3 GLY 47 HA1 GLY 47 -2.358 -10.749 7.157 378 H TRP 48 HN TRP 48 -3.573 -12.295 5.813 379 HA TRP 48 HA TRP 48 -2.611 -15.028 5.918 380 HB2 TRP 48 HB2 TRP 48 -3.902 -14.929 7.959 381 HB3 TRP 48 HB1 TRP 48 -5.232 -14.117 7.144 382 HD1 TRP 48 HD1 TRP 48 -7.150 -15.644 6.388 383 HE1 TRP 48 HE1 TRP 48 -7.464 -18.163 6.000 384 HE3 TRP 48 HE3 TRP 48 -2.344 -17.185 7.169 385 HZ2 TRP 48 HZ2 TRP 48 -5.881 -20.505 6.032 386 HZ3 TRP 48 HZ3 TRP 48 -1.829 -19.576 6.963 387 HH2 TRP 48 HH2 TRP 48 -3.563 -21.203 6.410 388 H ASN 49 HN ASN 49 -5.439 -13.047 5.065 389 HA ASN 49 HA ASN 49 -5.679 -14.625 2.644 390 HB2 ASN 49 HB2 ASN 49 -7.741 -14.174 3.916 391 HB3 ASN 49 HB1 ASN 49 -7.471 -12.442 3.724 392 HD21 ASN 49 HD21 ASN 49 -9.429 -12.172 2.621 393 HD22 ASN 49 HD22 ASN 49 -9.644 -12.725 1.007 394 H VAL 50 HN VAL 50 -4.476 -14.046 1.040 395 HA VAL 50 HA VAL 50 -3.402 -11.390 0.808 396 HB VAL 50 HB VAL 50 -3.112 -13.739 -1.106 397 HG11 VAL 50 HG11 VAL 50 -1.035 -12.649 -1.817 398 HG12 VAL 50 HG12 VAL 50 -1.388 -11.287 -0.754 399 HG13 VAL 50 HG13 VAL 50 -2.447 -11.637 -2.118 400 HG21 VAL 50 HG21 VAL 50 -1.353 -12.968 1.225 401 HG22 VAL 50 HG22 VAL 50 -0.991 -14.227 0.045 402 HG23 VAL 50 HG23 VAL 50 -2.376 -14.401 1.118 403 H ARG 51 HN ARG 51 -6.219 -12.905 -0.126 404 HA ARG 51 HA ARG 51 -6.653 -11.647 -2.633 405 HB2 ARG 51 HB2 ARG 51 -8.692 -12.803 -0.740 406 HB3 ARG 51 HB1 ARG 51 -9.026 -12.282 -2.380 407 HG2 ARG 51 HG2 ARG 51 -7.395 -13.994 -3.176 408 HG3 ARG 51 HG1 ARG 51 -7.278 -14.568 -1.506 409 HD2 ARG 51 HD2 ARG 51 -8.888 -15.912 -2.719 410 HD3 ARG 51 HD1 ARG 51 -9.717 -14.939 -1.499 411 HE ARG 51 HE ARG 51 -9.533 -13.897 -4.210 412 HH11 ARG 51 HH11 ARG 51 -11.584 -15.392 -1.778 413 HH12 ARG 51 HH12 ARG 51 -13.053 -14.920 -2.499 414 HH21 ARG 51 HH21 ARG 51 -11.485 -13.234 -5.200 415 HH22 ARG 51 HH22 ARG 51 -12.996 -13.648 -4.519 416 H TYR 52 HN TYR 52 -6.495 -10.238 0.368 417 HA TYR 52 HA TYR 52 -8.443 -8.195 -0.221 418 HB2 TYR 52 HB2 TYR 52 -6.269 -8.277 1.889 419 HB3 TYR 52 HB1 TYR 52 -7.341 -6.906 1.655 420 HD1 TYR 52 HD2 TYR 52 -9.854 -7.315 1.910 421 HD2 TYR 52 HD1 TYR 52 -6.892 -10.047 3.250 422 HE1 TYR 52 HE2 TYR 52 -11.498 -8.345 3.427 423 HE2 TYR 52 HE1 TYR 52 -8.521 -11.075 4.761 424 HH TYR 52 HH TYR 52 -11.850 -10.438 4.577 425 H ASP 53 HN ASP 53 -7.857 -7.770 -2.219 426 HA ASP 53 HA ASP 53 -5.351 -6.319 -2.706 427 HB2 ASP 53 HB2 ASP 53 -6.021 -8.527 -3.928 428 HB3 ASP 53 HB1 ASP 53 -7.253 -7.568 -4.712 429 H GLU 54 HN GLU 54 -5.891 -4.286 -2.240 430 HA GLU 54 HA GLU 54 -8.560 -3.194 -2.939 431 HB2 GLU 54 HB2 GLU 54 -8.321 -3.814 -0.542 432 HB3 GLU 54 HB1 GLU 54 -6.877 -2.834 -0.449 433 HG2 GLU 54 HG2 GLU 54 -8.136 -0.831 -0.619 434 HG3 GLU 54 HG1 GLU 54 -9.604 -1.721 -1.025 435 H TRP 55 HN TRP 55 -8.653 -0.978 -3.347 436 HA TRP 55 HA TRP 55 -6.155 0.044 -4.490 437 HB2 TRP 55 HB2 TRP 55 -9.025 0.709 -5.125 438 HB3 TRP 55 HB1 TRP 55 -7.626 1.434 -5.904 439 HD1 TRP 55 HD1 TRP 55 -9.453 -1.946 -5.616 440 HE1 TRP 55 HE1 TRP 55 -8.871 -3.342 -7.705 441 HE3 TRP 55 HE3 TRP 55 -5.908 1.109 -7.688 442 HZ2 TRP 55 HZ2 TRP 55 -7.129 -3.177 -9.918 443 HZ3 TRP 55 HZ3 TRP 55 -4.822 0.405 -9.782 444 HH2 TRP 55 HH2 TRP 55 -5.419 -1.691 -10.870 445 H VAL 56 HN VAL 56 -5.273 1.845 -3.732 446 HA VAL 56 HA VAL 56 -6.855 3.695 -2.101 447 HB VAL 56 HB VAL 56 -4.095 2.725 -1.303 448 HG11 VAL 56 HG11 VAL 56 -4.525 3.877 0.811 449 HG12 VAL 56 HG12 VAL 56 -6.086 4.417 0.193 450 HG13 VAL 56 HG13 VAL 56 -4.596 4.972 -0.568 451 HG21 VAL 56 HG21 VAL 56 -5.685 0.886 -1.011 452 HG22 VAL 56 HG22 VAL 56 -6.724 1.932 -0.040 453 HG23 VAL 56 HG23 VAL 56 -5.110 1.499 0.533 454 H LYS 57 HN LYS 57 -6.209 5.844 -2.490 455 HA LYS 57 HA LYS 57 -4.508 6.296 -4.678 456 HB2 LYS 57 HB2 LYS 57 -6.466 7.653 -4.244 457 HB3 LYS 57 HB1 LYS 57 -5.794 8.173 -2.713 458 HG2 LYS 57 HG2 LYS 57 -4.257 9.558 -3.702 459 HG3 LYS 57 HG1 LYS 57 -4.328 8.707 -5.247 460 HD2 LYS 57 HD2 LYS 57 -5.487 10.861 -5.405 461 HD3 LYS 57 HD1 LYS 57 -6.581 9.477 -5.578 462 HE2 LYS 57 HE2 LYS 57 -7.318 9.724 -3.305 463 HE3 LYS 57 HE1 LYS 57 -6.208 11.077 -3.061 464 HZ1 LYS 57 HZ1 LYS 57 -8.479 11.818 -3.527 465 HZ2 LYS 57 HZ2 LYS 57 -8.426 11.060 -5.055 466 HZ3 LYS 57 HZ3 LYS 57 -7.402 12.318 -4.710 467 H ALA 58 HN ALA 58 -2.642 7.638 -4.709 468 HA ALA 58 HA ALA 58 -0.535 6.448 -3.433 469 HB1 ALA 58 HB1 ALA 58 -0.631 7.715 -5.553 470 HB2 ALA 58 HB2 ALA 58 0.797 7.954 -4.551 471 HB3 ALA 58 HB3 ALA 58 -0.473 9.192 -4.596 472 H ASP 59 HN ASP 59 -1.939 9.561 -2.858 473 HA ASP 59 HA ASP 59 -0.002 10.346 -0.852 474 HB2 ASP 59 HB2 ASP 59 -1.252 12.389 -0.598 475 HB3 ASP 59 HB1 ASP 59 -1.123 12.009 -2.310 476 H ARG 60 HN ARG 60 -2.594 8.347 -0.727 477 HA ARG 60 HA ARG 60 -3.284 9.062 2.022 478 HB2 ARG 60 HB2 ARG 60 -4.910 8.959 -0.061 479 HB3 ARG 60 HB1 ARG 60 -4.872 7.237 0.259 480 HG2 ARG 60 HG2 ARG 60 -5.493 9.077 2.501 481 HG3 ARG 60 HG1 ARG 60 -6.722 8.814 1.273 482 HD2 ARG 60 HD2 ARG 60 -6.579 6.404 1.675 483 HD3 ARG 60 HD1 ARG 60 -5.354 6.701 2.914 484 HE ARG 60 HE ARG 60 -6.916 7.337 4.343 485 HH11 ARG 60 HH11 ARG 60 -8.430 7.209 1.144 486 HH12 ARG 60 HH12 ARG 60 -9.991 7.587 1.712 487 HH21 ARG 60 HH21 ARG 60 -9.089 7.798 5.121 488 HH22 ARG 60 HH22 ARG 60 -10.380 7.881 4.029 489 H ILE 61 HN ILE 61 -1.169 7.297 0.505 490 HA ILE 61 HA ILE 61 -1.378 4.927 2.213 491 HB ILE 61 HB ILE 61 0.286 5.442 -0.291 492 HG12 ILE 61 HG12 ILE 61 -2.132 3.681 0.099 493 HG13 ILE 61 HG11 ILE 61 -2.110 5.228 -0.742 494 HG21 ILE 61 HG21 ILE 61 1.412 3.896 1.211 495 HG22 ILE 61 HG22 ILE 61 0.838 3.059 -0.237 496 HG23 ILE 61 HG23 ILE 61 -0.046 2.902 1.290 497 HD11 ILE 61 HD11 ILE 61 -0.649 2.736 -1.546 498 HD12 ILE 61 HD12 ILE 61 -0.618 4.281 -2.422 499 HD13 ILE 61 HD13 ILE 61 -2.124 3.370 -2.277 500 H ILE 62 HN ILE 62 0.676 4.308 3.290 501 HA ILE 62 HA ILE 62 2.340 6.634 3.932 502 HB ILE 62 HB ILE 62 1.948 4.036 5.459 503 HG12 ILE 62 HG12 ILE 62 1.070 5.428 7.310 504 HG13 ILE 62 HG11 ILE 62 0.996 6.822 6.223 505 HG21 ILE 62 HG21 ILE 62 3.616 6.425 6.195 506 HG22 ILE 62 HG22 ILE 62 4.200 4.825 5.736 507 HG23 ILE 62 HG23 ILE 62 3.314 5.041 7.247 508 HD11 ILE 62 HD11 ILE 62 -1.182 5.796 6.522 509 HD12 ILE 62 HD12 ILE 62 -0.518 4.230 6.034 510 HD13 ILE 62 HD13 ILE 62 -0.629 5.540 4.860 511 H TRP 63 HN TRP 63 4.051 6.563 2.727 512 HA TRP 63 HA TRP 63 5.165 4.034 1.800 513 HB2 TRP 63 HB2 TRP 63 5.785 6.897 1.016 514 HB3 TRP 63 HB1 TRP 63 6.430 5.453 0.244 515 HD1 TRP 63 HD1 TRP 63 3.247 7.546 0.495 516 HE1 TRP 63 HE1 TRP 63 1.636 6.833 -1.369 517 HE3 TRP 63 HE3 TRP 63 5.819 3.512 -1.228 518 HZ2 TRP 63 HZ2 TRP 63 1.495 4.791 -3.332 519 HZ3 TRP 63 HZ3 TRP 63 4.896 2.230 -3.099 520 HH2 TRP 63 HH2 TRP 63 2.788 2.843 -4.122 521 HA PRO 64 HA PRO 64 8.523 4.685 4.723 522 HB2 PRO 64 HB2 PRO 64 10.268 3.256 2.817 523 HB3 PRO 64 HB1 PRO 64 9.844 2.813 4.472 524 HG2 PRO 64 HG2 PRO 64 8.889 1.425 2.386 525 HG3 PRO 64 HG1 PRO 64 7.912 1.739 3.838 526 HD2 PRO 64 HD2 PRO 64 7.834 3.132 1.182 527 HD3 PRO 64 HD1 PRO 64 6.493 2.575 2.209 528 H LEU 65 HN LEU 65 9.330 6.607 4.750 529 HA LEU 65 HA LEU 65 11.352 7.611 3.118 530 HB2 LEU 65 HB2 LEU 65 9.266 7.696 1.543 531 HB3 LEU 65 HB1 LEU 65 8.684 8.962 2.591 532 HG LEU 65 HG LEU 65 9.672 9.831 0.511 533 HD11 LEU 65 HD11 LEU 65 11.180 11.503 1.449 534 HD12 LEU 65 HD12 LEU 65 11.278 10.559 2.938 535 HD13 LEU 65 HD13 LEU 65 9.744 11.270 2.451 536 HD21 LEU 65 HD21 LEU 65 12.224 8.606 1.522 537 HD22 LEU 65 HD22 LEU 65 12.075 9.661 0.115 538 HD23 LEU 65 HD23 LEU 65 11.285 8.078 0.128 539 H ASP 66 HN ASP 66 12.128 8.075 5.131 540 HA ASP 66 HA ASP 66 12.597 9.229 7.019 541 HB2 ASP 66 HB2 ASP 66 12.351 11.149 5.386 542 HB3 ASP 66 HB1 ASP 66 10.690 11.330 5.920 543 H LYS 67 HN LYS 67 10.260 7.449 6.841 544 HA LYS 67 HA LYS 67 8.306 8.713 8.641 545 HB2 LYS 67 HB2 LYS 67 7.635 7.820 6.352 546 HB3 LYS 67 HB1 LYS 67 7.887 6.216 7.011 547 HG2 LYS 67 HG2 LYS 67 5.559 6.709 7.119 548 HG3 LYS 67 HG1 LYS 67 6.194 6.752 8.765 549 HD2 LYS 67 HD2 LYS 67 6.332 9.174 8.668 550 HD3 LYS 67 HD1 LYS 67 5.748 9.165 7.006 551 HE2 LYS 67 HE2 LYS 67 3.638 8.140 7.824 552 HE3 LYS 67 HE1 LYS 67 4.255 8.283 9.470 553 HZ1 LYS 67 HZ1 LYS 67 2.813 10.131 8.953 554 HZ2 LYS 67 HZ2 LYS 67 3.724 10.520 7.599 555 HZ3 LYS 67 HZ3 LYS 67 4.387 10.710 9.125 556 H GLY 68 HN GLY 68 10.371 5.922 8.232 557 HA2 GLY 68 HA2 GLY 68 11.286 5.013 10.340 558 HA3 GLY 68 HA1 GLY 68 9.653 5.110 10.987 559 H LEU 69 HN LEU 69 9.396 4.191 7.849 560 HA LEU 69 HA LEU 69 9.077 1.387 8.610 561 HB2 LEU 69 HB2 LEU 69 8.240 2.896 6.120 562 HB3 LEU 69 HB1 LEU 69 8.143 1.158 6.238 563 HG LEU 69 HG LEU 69 6.518 1.448 8.131 564 HD11 LEU 69 HD11 LEU 69 6.554 4.339 7.295 565 HD12 LEU 69 HD12 LEU 69 7.110 3.691 8.840 566 HD13 LEU 69 HD13 LEU 69 5.405 3.591 8.403 567 HD21 LEU 69 HD21 LEU 69 5.771 2.668 5.480 568 HD22 LEU 69 HD22 LEU 69 4.642 2.052 6.683 569 HD23 LEU 69 HD23 LEU 69 5.768 0.954 5.886 570 H GLU 70 HN GLU 70 11.050 3.524 6.887 571 HA GLU 70 HA GLU 70 12.477 1.744 5.229 572 HB2 GLU 70 HB2 GLU 70 13.847 4.068 6.575 573 HB3 GLU 70 HB1 GLU 70 14.101 3.432 4.964 574 HG2 GLU 70 HG2 GLU 70 13.078 5.477 4.588 575 HG3 GLU 70 HG1 GLU 70 11.734 4.343 4.477 576 H HIS 71 HN HIS 71 14.019 0.302 5.766 577 HA HIS 71 HA HIS 71 14.455 0.003 8.605 578 HB2 HIS 71 HB2 HIS 71 14.984 -1.894 6.327 579 HB3 HIS 71 HB1 HIS 71 15.488 -2.225 7.986 580 HD1 HIS 71 HD1 HIS 71 12.856 -3.146 5.855 581 HD2 HIS 71 HD2 HIS 71 13.000 -1.713 9.751 582 HE1 HIS 71 HE1 HIS 71 10.644 -3.712 6.866 583 HE2 HIS 71 HE2 HIS 71 10.734 -2.815 9.207 584 H HIS 72 HN HIS 72 16.494 -0.404 9.536 585 HA HIS 72 HA HIS 72 18.371 1.545 8.711 586 HB2 HIS 72 HB2 HIS 72 17.954 0.852 11.096 587 HB3 HIS 72 HB1 HIS 72 18.750 -0.671 10.741 588 HD1 HIS 72 HD1 HIS 72 19.496 3.008 11.147 589 HD2 HIS 72 HD2 HIS 72 21.515 -0.606 10.842 590 HE1 HIS 72 HE1 HIS 72 21.863 3.507 11.763 591 HE2 HIS 72 HE2 HIS 72 22.967 1.269 11.862 592 H HIS 73 HN HIS 73 18.109 -1.905 8.394 593 HA HIS 73 HA HIS 73 20.575 -2.041 6.870 594 HB2 HIS 73 HB2 HIS 73 18.550 -4.172 7.631 595 HB3 HIS 73 HB1 HIS 73 19.918 -4.479 6.576 596 HD1 HIS 73 HD1 HIS 73 19.142 -5.442 9.690 597 HD2 HIS 73 HD2 HIS 73 22.290 -3.114 8.317 598 HE1 HIS 73 HE1 HIS 73 20.970 -5.693 11.395 599 HE2 HIS 73 HE2 HIS 73 22.903 -4.347 10.470 600 H HIS 74 HN HIS 74 20.405 -1.208 4.964 601 HA HIS 74 HA HIS 74 18.101 -0.650 3.540 602 HB2 HIS 74 HB2 HIS 74 19.493 -0.129 1.619 603 HB3 HIS 74 HB1 HIS 74 20.311 0.411 3.073 604 HD1 HIS 74 HD1 HIS 74 21.141 -1.062 -0.006 605 HD2 HIS 74 HD2 HIS 74 22.171 -1.925 3.916 606 HE1 HIS 74 HE1 HIS 74 23.176 -2.493 -0.145 607 HE2 HIS 74 HE2 HIS 74 23.917 -2.778 2.252 608 H HIS 75 HN HIS 75 16.925 -1.599 2.061 609 HA HIS 75 HA HIS 75 16.916 -4.421 1.720 610 HB2 HIS 75 HB2 HIS 75 14.830 -3.197 1.681 611 HB3 HIS 75 HB1 HIS 75 15.401 -2.168 0.379 612 HD1 HIS 75 HD1 HIS 75 13.885 -5.513 1.050 613 HD2 HIS 75 HD2 HIS 75 15.262 -3.330 -2.198 614 HE1 HIS 75 HE1 HIS 75 12.964 -6.656 -0.967 615 HE2 HIS 75 HE2 HIS 75 13.565 -5.145 -2.866 616 H HIS 76 HN HIS 76 17.781 -5.624 0.095 617 HA HIS 76 HA HIS 76 18.542 -4.391 -2.386 618 HB2 HIS 76 HB2 HIS 76 20.595 -4.185 -0.950 619 HB3 HIS 76 HB1 HIS 76 20.575 -5.932 -0.732 620 HD1 HIS 76 HD1 HIS 76 22.277 -7.000 -2.185 621 HD2 HIS 76 HD2 HIS 76 20.596 -3.677 -4.008 622 HE1 HIS 76 HE1 HIS 76 23.430 -6.789 -4.405 623 HE2 HIS 76 HE2 HIS 76 22.609 -4.606 -5.320 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 11.207 9.505 -13.921 2 H2 GLU 1 HT2 GLU 1 10.963 8.204 -12.897 3 H3 GLU 1 HT3 GLU 1 9.828 8.533 -14.112 4 HA GLU 1 HA GLU 1 11.156 6.671 -14.697 5 HB2 GLU 1 HB2 GLU 1 11.603 9.225 -16.247 6 HB3 GLU 1 HB1 GLU 1 12.299 7.721 -16.815 7 HG2 GLU 1 HG2 GLU 1 10.169 8.272 -17.917 8 HG3 GLU 1 HG1 GLU 1 10.113 6.740 -17.053 9 H ASP 2 HN ASP 2 13.640 6.783 -16.061 10 HA ASP 2 HA ASP 2 15.844 6.579 -15.794 11 HB2 ASP 2 HB2 ASP 2 15.607 8.173 -13.216 12 HB3 ASP 2 HB1 ASP 2 17.114 7.690 -13.983 13 H MET 3 HN MET 3 14.585 6.499 -12.538 14 HA MET 3 HA MET 3 15.777 3.930 -12.047 15 HB2 MET 3 HB2 MET 3 14.591 3.975 -9.921 16 HB3 MET 3 HB1 MET 3 15.297 5.558 -10.188 17 HG2 MET 3 HG2 MET 3 13.113 6.412 -10.896 18 HG3 MET 3 HG1 MET 3 12.411 4.817 -10.651 19 HE1 MET 3 HE1 MET 3 14.014 3.952 -7.905 20 HE2 MET 3 HE2 MET 3 12.321 3.611 -8.253 21 HE3 MET 3 HE3 MET 3 12.766 4.398 -6.741 22 H GLU 4 HN GLU 4 14.551 1.961 -11.886 23 HA GLU 4 HA GLU 4 12.633 1.731 -13.958 24 HB2 GLU 4 HB2 GLU 4 13.407 -0.251 -11.825 25 HB3 GLU 4 HB1 GLU 4 12.404 -0.610 -13.214 26 HG2 GLU 4 HG2 GLU 4 14.297 -0.040 -14.685 27 HG3 GLU 4 HG1 GLU 4 15.293 0.213 -13.250 28 HA PRO 5 HA PRO 5 9.106 2.682 -11.330 29 HB2 PRO 5 HB2 PRO 5 7.568 2.125 -13.785 30 HB3 PRO 5 HB1 PRO 5 7.624 3.606 -12.825 31 HG2 PRO 5 HG2 PRO 5 8.774 3.484 -15.246 32 HG3 PRO 5 HG1 PRO 5 9.500 4.395 -13.903 33 HD2 PRO 5 HD2 PRO 5 10.225 1.659 -14.915 34 HD3 PRO 5 HD1 PRO 5 11.273 3.032 -14.483 35 H CYS 6 HN CYS 6 9.658 0.624 -10.380 36 HA CYS 6 HA CYS 6 8.355 -1.750 -11.372 37 HB2 CYS 6 HB2 CYS 6 9.803 -1.253 -8.777 38 HB3 CYS 6 HB1 CYS 6 9.365 -2.832 -9.430 39 HG CYS 6 HG CYS 6 11.494 -3.174 -10.834 40 H LEU 7 HN LEU 7 8.370 -0.123 -8.241 41 HA LEU 7 HA LEU 7 6.918 0.251 -6.645 42 HB2 LEU 7 HB2 LEU 7 4.886 0.303 -8.885 43 HB3 LEU 7 HB1 LEU 7 4.501 0.694 -7.225 44 HG LEU 7 HG LEU 7 6.181 2.579 -7.366 45 HD11 LEU 7 HD11 LEU 7 7.464 1.787 -9.279 46 HD12 LEU 7 HD12 LEU 7 6.834 3.417 -9.536 47 HD13 LEU 7 HD13 LEU 7 6.063 2.035 -10.321 48 HD21 LEU 7 HD21 LEU 7 3.876 2.708 -9.290 49 HD22 LEU 7 HD22 LEU 7 4.674 4.081 -8.512 50 HD23 LEU 7 HD23 LEU 7 3.777 2.905 -7.546 51 H THR 8 HN THR 8 5.500 -2.225 -8.737 52 HA THR 8 HA THR 8 4.051 -3.621 -6.853 53 HB THR 8 HB THR 8 5.567 -4.702 -9.227 54 HG1 THR 8 HG1 THR 8 2.825 -4.110 -9.300 55 HG21 THR 8 HG21 THR 8 3.838 -6.453 -9.247 56 HG22 THR 8 HG22 THR 8 3.100 -5.724 -7.819 57 HG23 THR 8 HG23 THR 8 4.705 -6.451 -7.705 58 H GLY 9 HN GLY 9 4.695 -4.599 -5.072 59 HA2 GLY 9 HA2 GLY 9 6.023 -6.370 -4.070 60 HA3 GLY 9 HA1 GLY 9 7.397 -5.773 -4.995 61 H THR 10 HN THR 10 6.411 -2.935 -4.296 62 HA THR 10 HA THR 10 8.047 -2.675 -1.972 63 HB THR 10 HB THR 10 6.249 -0.675 -3.324 64 HG1 THR 10 HG1 THR 10 8.434 -1.867 -4.174 65 HG21 THR 10 HG21 THR 10 8.632 -0.215 -1.496 66 HG22 THR 10 HG22 THR 10 6.948 0.058 -1.059 67 HG23 THR 10 HG23 THR 10 7.705 1.048 -2.302 68 H LYS 11 HN LYS 11 7.422 -2.637 0.050 69 HA LYS 11 HA LYS 11 4.611 -2.965 0.572 70 HB2 LYS 11 HB2 LYS 11 5.271 -3.637 2.926 71 HB3 LYS 11 HB1 LYS 11 5.825 -4.699 1.659 72 HG2 LYS 11 HG2 LYS 11 7.577 -4.558 3.226 73 HG3 LYS 11 HG1 LYS 11 8.089 -3.566 1.871 74 HD2 LYS 11 HD2 LYS 11 7.392 -1.554 3.105 75 HD3 LYS 11 HD1 LYS 11 6.885 -2.567 4.457 76 HE2 LYS 11 HE2 LYS 11 9.091 -1.591 4.862 77 HE3 LYS 11 HE1 LYS 11 9.179 -3.346 4.745 78 HZ1 LYS 11 HZ1 LYS 11 10.969 -2.222 3.524 79 HZ2 LYS 11 HZ2 LYS 11 9.833 -1.472 2.539 80 HZ3 LYS 11 HZ3 LYS 11 10.008 -3.143 2.506 81 H VAL 12 HN VAL 12 3.344 -1.625 1.483 82 HA VAL 12 HA VAL 12 4.483 0.916 2.372 83 HB VAL 12 HB VAL 12 2.643 2.100 1.250 84 HG11 VAL 12 HG11 VAL 12 4.239 0.341 -0.593 85 HG12 VAL 12 HG12 VAL 12 4.773 1.868 0.110 86 HG13 VAL 12 HG13 VAL 12 3.440 1.849 -1.042 87 HG21 VAL 12 HG21 VAL 12 1.251 0.946 -0.404 88 HG22 VAL 12 HG22 VAL 12 0.993 0.299 1.217 89 HG23 VAL 12 HG23 VAL 12 1.985 -0.592 0.061 90 H LYS 13 HN LYS 13 2.581 2.258 3.345 91 HA LYS 13 HA LYS 13 1.155 0.517 5.226 92 HB2 LYS 13 HB2 LYS 13 2.762 2.880 5.454 93 HB3 LYS 13 HB1 LYS 13 1.144 3.190 6.056 94 HG2 LYS 13 HG2 LYS 13 2.875 0.921 6.926 95 HG3 LYS 13 HG1 LYS 13 2.739 2.488 7.799 96 HD2 LYS 13 HD2 LYS 13 0.222 1.886 7.692 97 HD3 LYS 13 HD1 LYS 13 0.805 0.246 7.440 98 HE2 LYS 13 HE2 LYS 13 1.272 2.091 9.732 99 HE3 LYS 13 HE1 LYS 13 0.446 0.540 9.773 100 HZ1 LYS 13 HZ1 LYS 13 3.351 1.066 9.530 101 HZ2 LYS 13 HZ2 LYS 13 2.738 -0.452 9.148 102 HZ3 LYS 13 HZ3 LYS 13 2.549 0.170 10.709 103 H VAL 14 HN VAL 14 -1.078 0.745 5.281 104 HA VAL 14 HA VAL 14 -2.206 2.845 3.573 105 HB VAL 14 HB VAL 14 -3.185 -0.015 3.846 106 HG11 VAL 14 HG11 VAL 14 -4.306 2.259 2.206 107 HG12 VAL 14 HG12 VAL 14 -5.061 1.533 3.624 108 HG13 VAL 14 HG13 VAL 14 -4.862 0.586 2.148 109 HG21 VAL 14 HG21 VAL 14 -2.037 1.417 1.445 110 HG22 VAL 14 HG22 VAL 14 -2.643 -0.244 1.509 111 HG23 VAL 14 HG23 VAL 14 -1.211 0.210 2.434 112 H LYS 15 HN LYS 15 -3.727 4.015 4.493 113 HA LYS 15 HA LYS 15 -4.699 3.222 7.148 114 HB2 LYS 15 HB2 LYS 15 -3.416 5.317 7.047 115 HB3 LYS 15 HB1 LYS 15 -4.462 5.910 5.774 116 HG2 LYS 15 HG2 LYS 15 -6.339 5.925 7.374 117 HG3 LYS 15 HG1 LYS 15 -5.222 5.416 8.647 118 HD2 LYS 15 HD2 LYS 15 -3.891 7.396 8.345 119 HD3 LYS 15 HD1 LYS 15 -4.871 7.894 6.970 120 HE2 LYS 15 HE2 LYS 15 -6.826 8.018 8.522 121 HE3 LYS 15 HE1 LYS 15 -5.719 7.694 9.853 122 HZ1 LYS 15 HZ1 LYS 15 -4.498 9.691 9.257 123 HZ2 LYS 15 HZ2 LYS 15 -6.095 10.054 9.616 124 HZ3 LYS 15 HZ3 LYS 15 -5.588 10.005 8.007 125 H TYR 16 HN TYR 16 -6.778 2.390 7.013 126 HA TYR 16 HA TYR 16 -8.492 3.590 4.972 127 HB2 TYR 16 HB2 TYR 16 -7.391 1.302 4.371 128 HB3 TYR 16 HB1 TYR 16 -8.543 0.634 5.519 129 HD1 TYR 16 HD1 TYR 16 -10.939 0.701 5.035 130 HD2 TYR 16 HD2 TYR 16 -8.090 2.131 2.235 131 HE1 TYR 16 HE1 TYR 16 -12.665 0.681 3.251 132 HE2 TYR 16 HE2 TYR 16 -9.793 2.103 0.453 133 HH TYR 16 HH TYR 16 -11.938 0.850 0.032 134 H GLY 17 HN GLY 17 -10.201 4.483 6.046 135 HA2 GLY 17 HA2 GLY 17 -11.593 2.883 7.981 136 HA3 GLY 17 HA1 GLY 17 -10.757 4.306 8.606 137 H ARG 18 HN ARG 18 -13.485 3.882 8.735 138 HA ARG 18 HA ARG 18 -14.306 6.318 7.481 139 HB2 ARG 18 HB2 ARG 18 -16.394 5.348 6.581 140 HB3 ARG 18 HB1 ARG 18 -14.977 4.689 5.793 141 HG2 ARG 18 HG2 ARG 18 -15.182 2.684 7.272 142 HG3 ARG 18 HG1 ARG 18 -16.714 3.344 7.852 143 HD2 ARG 18 HD2 ARG 18 -17.185 1.772 6.099 144 HD3 ARG 18 HD1 ARG 18 -17.500 3.395 5.484 145 HE ARG 18 HE ARG 18 -14.900 2.204 4.986 146 HH11 ARG 18 HH11 ARG 18 -18.068 3.129 3.664 147 HH12 ARG 18 HH12 ARG 18 -17.575 2.960 2.048 148 HH21 ARG 18 HH21 ARG 18 -14.266 1.968 2.743 149 HH22 ARG 18 HH22 ARG 18 -15.403 2.234 1.508 150 H GLY 19 HN GLY 19 -15.396 7.476 8.903 151 HA2 GLY 19 HA2 GLY 19 -16.680 8.034 10.714 152 HA3 GLY 19 HA1 GLY 19 -17.224 6.360 10.777 153 H LYS 20 HN LYS 20 -16.785 5.461 12.639 154 HA LYS 20 HA LYS 20 -14.699 6.490 14.356 155 HB2 LYS 20 HB2 LYS 20 -16.921 5.929 15.278 156 HB3 LYS 20 HB1 LYS 20 -16.701 4.263 14.774 157 HG2 LYS 20 HG2 LYS 20 -14.794 4.068 16.325 158 HG3 LYS 20 HG1 LYS 20 -15.098 5.721 16.865 159 HD2 LYS 20 HD2 LYS 20 -17.333 5.073 17.616 160 HD3 LYS 20 HD1 LYS 20 -17.058 3.429 17.047 161 HE2 LYS 20 HE2 LYS 20 -15.187 3.215 18.644 162 HE3 LYS 20 HE1 LYS 20 -15.522 4.846 19.221 163 HZ1 LYS 20 HZ1 LYS 20 -16.518 3.119 20.637 164 HZ2 LYS 20 HZ2 LYS 20 -17.444 2.590 19.334 165 HZ3 LYS 20 HZ3 LYS 20 -17.684 4.124 19.958 166 H THR 21 HN THR 21 -15.401 3.629 12.433 167 HA THR 21 HA THR 21 -13.088 2.320 13.516 168 HB THR 21 HB THR 21 -15.030 0.897 13.175 169 HG1 THR 21 HG1 THR 21 -12.774 0.108 12.696 170 HG21 THR 21 HG21 THR 21 -15.860 0.324 10.901 171 HG22 THR 21 HG22 THR 21 -14.796 1.555 10.227 172 HG23 THR 21 HG23 THR 21 -16.117 2.024 11.294 173 H GLN 22 HN GLN 22 -11.275 3.048 12.907 174 HA GLN 22 HA GLN 22 -10.684 3.143 10.068 175 HB2 GLN 22 HB2 GLN 22 -10.935 5.453 10.850 176 HB3 GLN 22 HB1 GLN 22 -9.818 5.138 12.166 177 HG2 GLN 22 HG2 GLN 22 -7.995 4.889 10.621 178 HG3 GLN 22 HG1 GLN 22 -9.068 5.043 9.239 179 HE21 GLN 22 HE21 GLN 22 -9.993 7.081 8.784 180 HE22 GLN 22 HE22 GLN 22 -9.317 8.512 9.455 181 H LYS 23 HN LYS 23 -9.196 1.717 9.633 182 HA LYS 23 HA LYS 23 -7.364 1.026 11.763 183 HB2 LYS 23 HB2 LYS 23 -7.509 -1.346 10.805 184 HB3 LYS 23 HB1 LYS 23 -8.796 -0.761 11.843 185 HG2 LYS 23 HG2 LYS 23 -10.029 -0.150 9.712 186 HG3 LYS 23 HG1 LYS 23 -8.821 -1.131 8.873 187 HD2 LYS 23 HD2 LYS 23 -9.393 -3.042 10.190 188 HD3 LYS 23 HD1 LYS 23 -10.482 -2.060 11.174 189 HE2 LYS 23 HE2 LYS 23 -11.873 -1.621 9.184 190 HE3 LYS 23 HE1 LYS 23 -10.786 -2.631 8.230 191 HZ1 LYS 23 HZ1 LYS 23 -11.435 -4.546 9.551 192 HZ2 LYS 23 HZ2 LYS 23 -12.827 -3.798 8.956 193 HZ3 LYS 23 HZ3 LYS 23 -12.380 -3.575 10.544 194 H ILE 24 HN ILE 24 -5.329 0.426 11.185 195 HA ILE 24 HA ILE 24 -4.626 1.353 8.519 196 HB ILE 24 HB ILE 24 -2.907 1.388 11.045 197 HG12 ILE 24 HG12 ILE 24 -2.986 3.935 10.692 198 HG13 ILE 24 HG11 ILE 24 -4.321 3.645 9.593 199 HG21 ILE 24 HG21 ILE 24 -1.587 1.064 9.040 200 HG22 ILE 24 HG22 ILE 24 -1.300 2.661 9.718 201 HG23 ILE 24 HG23 ILE 24 -2.329 2.478 8.298 202 HD11 ILE 24 HD11 ILE 24 -5.628 2.713 11.447 203 HD12 ILE 24 HD12 ILE 24 -5.096 4.357 11.802 204 HD13 ILE 24 HD13 ILE 24 -4.273 2.984 12.540 205 H TYR 25 HN TYR 25 -3.589 0.026 7.228 206 HA TYR 25 HA TYR 25 -2.843 -2.662 8.208 207 HB2 TYR 25 HB2 TYR 25 -3.805 -1.818 5.482 208 HB3 TYR 25 HB1 TYR 25 -3.338 -3.432 5.956 209 HD1 TYR 25 HD2 TYR 25 -4.830 -4.710 7.506 210 HD2 TYR 25 HD1 TYR 25 -6.002 -0.989 5.794 211 HE1 TYR 25 HE2 TYR 25 -7.180 -5.269 7.896 212 HE2 TYR 25 HE1 TYR 25 -8.360 -1.548 6.177 213 HH TYR 25 HH TYR 25 -9.646 -3.682 6.390 214 H GLU 26 HN GLU 26 -1.109 -3.636 6.852 215 HA GLU 26 HA GLU 26 0.587 -1.630 5.562 216 HB2 GLU 26 HB2 GLU 26 1.430 -4.300 6.711 217 HB3 GLU 26 HB1 GLU 26 2.482 -3.041 6.076 218 HG2 GLU 26 HG2 GLU 26 1.409 -1.577 7.918 219 HG3 GLU 26 HG1 GLU 26 0.970 -3.121 8.635 220 H ALA 27 HN ALA 27 1.190 -2.177 3.425 221 HA ALA 27 HA ALA 27 0.052 -4.633 2.352 222 HB1 ALA 27 HB1 ALA 27 -0.578 -1.975 1.045 223 HB2 ALA 27 HB2 ALA 27 -1.604 -2.702 2.238 224 HB3 ALA 27 HB3 ALA 27 -1.300 -3.547 0.731 225 H SER 28 HN SER 28 0.488 -4.546 -0.199 226 HA SER 28 HA SER 28 3.121 -3.452 -0.743 227 HB2 SER 28 HB2 SER 28 2.446 -6.378 -1.157 228 HB3 SER 28 HB1 SER 28 3.946 -5.553 -1.607 229 HG SER 28 HG SER 28 3.477 -5.043 0.933 230 H ILE 29 HN ILE 29 3.231 -2.697 -2.718 231 HA ILE 29 HA ILE 29 0.893 -2.279 -4.205 232 HB ILE 29 HB ILE 29 3.721 -2.081 -5.239 233 HG12 ILE 29 HG12 ILE 29 3.504 -0.748 -3.181 234 HG13 ILE 29 HG11 ILE 29 3.669 0.294 -4.584 235 HG21 ILE 29 HG21 ILE 29 1.169 -0.768 -6.146 236 HG22 ILE 29 HG22 ILE 29 2.091 -2.004 -7.007 237 HG23 ILE 29 HG23 ILE 29 2.769 -0.392 -6.782 238 HD11 ILE 29 HD11 ILE 29 1.199 0.619 -4.536 239 HD12 ILE 29 HD12 ILE 29 2.052 1.237 -3.127 240 HD13 ILE 29 HD13 ILE 29 1.161 -0.275 -3.015 241 H LYS 30 HN LYS 30 -0.155 -3.434 -5.589 242 HA LYS 30 HA LYS 30 1.037 -5.850 -6.763 243 HB2 LYS 30 HB2 LYS 30 -1.152 -5.883 -5.421 244 HB3 LYS 30 HB1 LYS 30 -1.854 -4.920 -6.699 245 HG2 LYS 30 HG2 LYS 30 -0.694 -7.667 -7.146 246 HG3 LYS 30 HG1 LYS 30 -2.374 -7.389 -6.719 247 HD2 LYS 30 HD2 LYS 30 -2.626 -6.026 -8.766 248 HD3 LYS 30 HD1 LYS 30 -0.935 -6.387 -9.148 249 HE2 LYS 30 HE2 LYS 30 -1.435 -8.753 -9.297 250 HE3 LYS 30 HE1 LYS 30 -3.094 -8.472 -8.786 251 HZ1 LYS 30 HZ1 LYS 30 -3.500 -7.255 -10.823 252 HZ2 LYS 30 HZ2 LYS 30 -2.905 -8.773 -11.193 253 HZ3 LYS 30 HZ3 LYS 30 -1.900 -7.448 -11.317 254 H SER 31 HN SER 31 -0.774 -2.888 -7.501 255 HA SER 31 HA SER 31 0.553 -2.653 -10.047 256 HB2 SER 31 HB2 SER 31 -1.404 -4.072 -10.589 257 HB3 SER 31 HB1 SER 31 -2.461 -2.909 -9.803 258 HG SER 31 HG SER 31 -2.599 -2.056 -11.712 259 H THR 32 HN THR 32 0.390 -0.483 -10.780 260 HA THR 32 HA THR 32 -1.198 1.299 -9.095 261 HB THR 32 HB THR 32 1.142 2.269 -10.616 262 HG1 THR 32 HG1 THR 32 1.878 0.550 -9.161 263 HG21 THR 32 HG21 THR 32 -0.197 3.109 -8.077 264 HG22 THR 32 HG22 THR 32 -0.494 3.746 -9.681 265 HG23 THR 32 HG23 THR 32 1.086 3.995 -8.913 266 H GLU 33 HN GLU 33 -2.438 2.586 -10.254 267 HA GLU 33 HA GLU 33 -2.131 2.666 -13.127 268 HB2 GLU 33 HB2 GLU 33 -4.564 1.475 -11.801 269 HB3 GLU 33 HB1 GLU 33 -4.520 2.088 -13.460 270 HG2 GLU 33 HG2 GLU 33 -2.940 0.505 -14.143 271 HG3 GLU 33 HG1 GLU 33 -2.562 0.031 -12.498 272 H ILE 34 HN ILE 34 -3.595 4.150 -14.110 273 HA ILE 34 HA ILE 34 -3.969 6.344 -12.237 274 HB ILE 34 HB ILE 34 -3.255 6.404 -15.164 275 HG12 ILE 34 HG12 ILE 34 -1.315 7.820 -14.346 276 HG13 ILE 34 HG11 ILE 34 -1.857 7.457 -12.713 277 HG21 ILE 34 HG21 ILE 34 -4.905 8.141 -14.837 278 HG22 ILE 34 HG22 ILE 34 -3.313 8.858 -15.088 279 HG23 ILE 34 HG23 ILE 34 -3.998 8.776 -13.462 280 HD11 ILE 34 HD11 ILE 34 -1.440 5.105 -13.096 281 HD12 ILE 34 HD12 ILE 34 0.028 6.059 -13.344 282 HD13 ILE 34 HD13 ILE 34 -0.883 5.445 -14.733 283 H ASP 35 HN ASP 35 -5.839 7.185 -12.026 284 HA ASP 35 HA ASP 35 -7.935 6.476 -13.924 285 HB2 ASP 35 HB2 ASP 35 -7.988 6.338 -10.950 286 HB3 ASP 35 HB1 ASP 35 -9.453 6.776 -11.822 287 H ASP 36 HN ASP 36 -8.147 8.182 -14.997 288 HA ASP 36 HA ASP 36 -8.425 10.281 -15.652 289 HB2 ASP 36 HB2 ASP 36 -10.685 9.615 -14.866 290 HB3 ASP 36 HB1 ASP 36 -10.341 10.400 -13.330 291 H GLY 37 HN GLY 37 -6.195 10.551 -14.858 292 HA2 GLY 37 HA2 GLY 37 -4.812 12.388 -14.467 293 HA3 GLY 37 HA1 GLY 37 -6.121 13.178 -13.626 294 H GLU 38 HN GLU 38 -6.387 10.643 -11.848 295 HA GLU 38 HA GLU 38 -4.062 11.349 -10.214 296 HB2 GLU 38 HB2 GLU 38 -5.366 10.750 -8.205 297 HB3 GLU 38 HB1 GLU 38 -6.132 12.029 -9.121 298 HG2 GLU 38 HG2 GLU 38 -7.698 10.351 -10.063 299 HG3 GLU 38 HG1 GLU 38 -6.960 9.135 -9.023 300 H VAL 39 HN VAL 39 -2.989 9.701 -9.000 301 HA VAL 39 HA VAL 39 -3.025 7.200 -10.522 302 HB VAL 39 HB VAL 39 -0.933 8.029 -8.522 303 HG11 VAL 39 HG11 VAL 39 0.510 6.515 -9.867 304 HG12 VAL 39 HG12 VAL 39 -0.892 6.118 -10.850 305 HG13 VAL 39 HG13 VAL 39 -0.876 5.712 -9.148 306 HG21 VAL 39 HG21 VAL 39 -0.903 8.670 -11.473 307 HG22 VAL 39 HG22 VAL 39 0.423 8.938 -10.341 308 HG23 VAL 39 HG23 VAL 39 -1.087 9.828 -10.161 309 H LEU 40 HN LEU 40 -3.933 5.516 -9.631 310 HA LEU 40 HA LEU 40 -4.345 5.517 -6.738 311 HB2 LEU 40 HB2 LEU 40 -5.895 4.057 -8.875 312 HB3 LEU 40 HB1 LEU 40 -6.224 4.034 -7.154 313 HG LEU 40 HG LEU 40 -6.521 6.394 -9.001 314 HD11 LEU 40 HD11 LEU 40 -8.890 6.194 -8.437 315 HD12 LEU 40 HD12 LEU 40 -8.534 4.737 -7.505 316 HD13 LEU 40 HD13 LEU 40 -8.262 4.759 -9.247 317 HD21 LEU 40 HD21 LEU 40 -7.003 6.192 -6.032 318 HD22 LEU 40 HD22 LEU 40 -7.427 7.565 -7.060 319 HD23 LEU 40 HD23 LEU 40 -5.738 7.128 -6.828 320 H TYR 41 HN TYR 41 -3.829 3.689 -5.627 321 HA TYR 41 HA TYR 41 -2.074 1.903 -7.104 322 HB2 TYR 41 HB2 TYR 41 -2.104 2.690 -4.189 323 HB3 TYR 41 HB1 TYR 41 -1.035 1.478 -4.880 324 HD1 TYR 41 HD2 TYR 41 -1.916 5.113 -5.110 325 HD2 TYR 41 HD1 TYR 41 1.015 2.119 -5.809 326 HE1 TYR 41 HE2 TYR 41 -0.328 6.825 -5.644 327 HE2 TYR 41 HE1 TYR 41 2.657 3.871 -6.342 328 HH TYR 41 HH TYR 41 2.678 6.144 -7.146 329 H LEU 42 HN LEU 42 -2.359 -0.190 -6.962 330 HA LEU 42 HA LEU 42 -4.711 -1.171 -5.543 331 HB2 LEU 42 HB2 LEU 42 -4.687 -1.492 -8.010 332 HB3 LEU 42 HB1 LEU 42 -3.145 -2.312 -7.868 333 HG LEU 42 HG LEU 42 -4.222 -4.116 -6.599 334 HD11 LEU 42 HD11 LEU 42 -6.040 -2.912 -5.563 335 HD12 LEU 42 HD12 LEU 42 -6.705 -4.205 -6.570 336 HD13 LEU 42 HD13 LEU 42 -6.723 -2.546 -7.141 337 HD21 LEU 42 HD21 LEU 42 -3.996 -4.312 -9.017 338 HD22 LEU 42 HD22 LEU 42 -5.549 -3.502 -9.234 339 HD23 LEU 42 HD23 LEU 42 -5.481 -5.080 -8.456 340 H VAL 43 HN VAL 43 -4.062 -1.900 -3.698 341 HA VAL 43 HA VAL 43 -1.415 -3.176 -3.501 342 HB VAL 43 HB VAL 43 -1.836 -0.741 -2.628 343 HG11 VAL 43 HG11 VAL 43 -2.440 -0.438 -0.421 344 HG12 VAL 43 HG12 VAL 43 -3.086 -2.093 -0.366 345 HG13 VAL 43 HG13 VAL 43 -3.764 -0.916 -1.475 346 HG21 VAL 43 HG21 VAL 43 0.187 -1.828 -2.422 347 HG22 VAL 43 HG22 VAL 43 -0.355 -2.801 -1.103 348 HG23 VAL 43 HG23 VAL 43 -0.194 -1.017 -0.918 349 H HIS 44 HN HIS 44 -1.380 -5.007 -2.270 350 HA HIS 44 HA HIS 44 -3.839 -5.584 -0.817 351 HB2 HIS 44 HB2 HIS 44 -3.453 -8.047 -1.112 352 HB3 HIS 44 HB1 HIS 44 -3.854 -7.203 -2.592 353 HD1 HIS 44 HD1 HIS 44 -2.505 -7.752 -4.451 354 HD2 HIS 44 HD2 HIS 44 -0.518 -8.584 -0.920 355 HE1 HIS 44 HE1 HIS 44 -0.342 -8.929 -5.136 356 HE2 HIS 44 HE2 HIS 44 0.904 -9.250 -2.989 357 H TYR 45 HN TYR 45 -3.683 -6.696 1.081 358 HA TYR 45 HA TYR 45 -1.521 -5.588 2.581 359 HB2 TYR 45 HB2 TYR 45 -3.863 -7.248 3.511 360 HB3 TYR 45 HB1 TYR 45 -2.838 -6.207 4.512 361 HD1 TYR 45 HD1 TYR 45 -2.673 -3.732 3.442 362 HD2 TYR 45 HD2 TYR 45 -5.965 -6.371 3.031 363 HE1 TYR 45 HE1 TYR 45 -4.140 -1.810 2.961 364 HE2 TYR 45 HE2 TYR 45 -7.449 -4.462 2.566 365 HH TYR 45 HH TYR 45 -7.547 -2.070 2.903 366 H TYR 46 HN TYR 46 0.380 -6.671 2.587 367 HA TYR 46 HA TYR 46 0.594 -9.406 1.966 368 HB2 TYR 46 HB2 TYR 46 2.971 -9.241 2.463 369 HB3 TYR 46 HB1 TYR 46 2.466 -7.811 1.589 370 HD1 TYR 46 HD1 TYR 46 2.345 -5.621 2.795 371 HD2 TYR 46 HD2 TYR 46 3.862 -9.119 4.672 372 HE1 TYR 46 HE1 TYR 46 3.412 -4.233 4.519 373 HE2 TYR 46 HE2 TYR 46 4.925 -7.742 6.401 374 HH TYR 46 HH TYR 46 4.185 -4.521 6.900 375 H GLY 47 HN GLY 47 0.634 -11.190 3.120 376 HA2 GLY 47 HA2 GLY 47 0.492 -12.613 4.922 377 HA3 GLY 47 HA1 GLY 47 0.970 -11.277 5.958 378 H TRP 48 HN TRP 48 -1.099 -9.564 5.311 379 HA TRP 48 HA TRP 48 -3.114 -10.417 7.153 380 HB2 TRP 48 HB2 TRP 48 -2.113 -8.031 6.494 381 HB3 TRP 48 HB1 TRP 48 -3.475 -8.054 5.387 382 HD1 TRP 48 HD1 TRP 48 -5.913 -8.799 6.896 383 HE1 TRP 48 HE1 TRP 48 -6.701 -7.612 9.025 384 HE3 TRP 48 HE3 TRP 48 -1.483 -6.683 8.316 385 HZ2 TRP 48 HZ2 TRP 48 -5.580 -5.961 11.053 386 HZ3 TRP 48 HZ3 TRP 48 -1.427 -5.312 10.353 387 HH2 TRP 48 HH2 TRP 48 -3.436 -4.958 11.691 388 H ASN 49 HN ASN 49 -3.366 -9.296 3.761 389 HA ASN 49 HA ASN 49 -5.300 -11.360 3.133 390 HB2 ASN 49 HB2 ASN 49 -5.936 -8.413 2.722 391 HB3 ASN 49 HB1 ASN 49 -6.811 -9.760 2.016 392 HD21 ASN 49 HD21 ASN 49 -8.138 -11.003 3.316 393 HD22 ASN 49 HD22 ASN 49 -8.693 -10.442 4.842 394 H VAL 50 HN VAL 50 -4.061 -12.220 1.577 395 HA VAL 50 HA VAL 50 -2.471 -10.489 -0.075 396 HB VAL 50 HB VAL 50 -1.534 -12.515 -1.105 397 HG11 VAL 50 HG11 VAL 50 -0.419 -13.393 0.891 398 HG12 VAL 50 HG12 VAL 50 -1.625 -12.601 1.903 399 HG13 VAL 50 HG13 VAL 50 -0.531 -11.633 0.916 400 HG21 VAL 50 HG21 VAL 50 -2.126 -14.742 -0.252 401 HG22 VAL 50 HG22 VAL 50 -3.515 -13.967 -1.018 402 HG23 VAL 50 HG23 VAL 50 -3.396 -14.024 0.739 403 H ARG 51 HN ARG 51 -5.491 -12.126 -0.407 404 HA ARG 51 HA ARG 51 -5.447 -11.563 -3.286 405 HB2 ARG 51 HB2 ARG 51 -5.996 -13.873 -2.668 406 HB3 ARG 51 HB1 ARG 51 -7.318 -13.313 -1.671 407 HG2 ARG 51 HG2 ARG 51 -8.140 -14.304 -3.735 408 HG3 ARG 51 HG1 ARG 51 -8.537 -12.597 -3.672 409 HD2 ARG 51 HD2 ARG 51 -6.139 -13.653 -5.186 410 HD3 ARG 51 HD1 ARG 51 -7.739 -13.553 -5.908 411 HE ARG 51 HE ARG 51 -6.322 -11.155 -4.885 412 HH11 ARG 51 HH11 ARG 51 -8.082 -12.764 -7.516 413 HH12 ARG 51 HH12 ARG 51 -8.110 -11.367 -8.495 414 HH21 ARG 51 HH21 ARG 51 -6.393 -9.281 -6.225 415 HH22 ARG 51 HH22 ARG 51 -7.149 -9.346 -7.753 416 H TYR 52 HN TYR 52 -6.214 -9.938 -0.661 417 HA TYR 52 HA TYR 52 -8.582 -8.754 -1.896 418 HB2 TYR 52 HB2 TYR 52 -8.917 -9.376 0.497 419 HB3 TYR 52 HB1 TYR 52 -7.556 -8.339 0.921 420 HD1 TYR 52 HD2 TYR 52 -11.035 -8.317 -0.347 421 HD2 TYR 52 HD1 TYR 52 -7.796 -6.009 1.137 422 HE1 TYR 52 HE2 TYR 52 -12.533 -6.368 -0.104 423 HE2 TYR 52 HE1 TYR 52 -9.268 -4.072 1.376 424 HH TYR 52 HH TYR 52 -11.311 -3.230 0.465 425 H ASP 53 HN ASP 53 -7.767 -7.529 -3.391 426 HA ASP 53 HA ASP 53 -5.611 -5.704 -2.746 427 HB2 ASP 53 HB2 ASP 53 -6.974 -6.307 -5.388 428 HB3 ASP 53 HB1 ASP 53 -5.624 -5.201 -5.165 429 H GLU 54 HN GLU 54 -5.903 -3.612 -2.495 430 HA GLU 54 HA GLU 54 -8.637 -2.510 -2.753 431 HB2 GLU 54 HB2 GLU 54 -7.954 -3.068 -0.404 432 HB3 GLU 54 HB1 GLU 54 -6.561 -2.022 -0.593 433 HG2 GLU 54 HG2 GLU 54 -8.272 -0.912 0.679 434 HG3 GLU 54 HG1 GLU 54 -8.079 -0.111 -0.882 435 H TRP 55 HN TRP 55 -8.789 -0.327 -3.055 436 HA TRP 55 HA TRP 55 -6.573 0.716 -4.655 437 HB2 TRP 55 HB2 TRP 55 -9.521 1.154 -4.825 438 HB3 TRP 55 HB1 TRP 55 -8.349 2.104 -5.731 439 HD1 TRP 55 HD1 TRP 55 -9.777 -1.440 -5.498 440 HE1 TRP 55 HE1 TRP 55 -9.303 -2.641 -7.757 441 HE3 TRP 55 HE3 TRP 55 -6.695 2.029 -7.622 442 HZ2 TRP 55 HZ2 TRP 55 -7.753 -2.166 -10.096 443 HZ3 TRP 55 HZ3 TRP 55 -5.716 1.589 -9.829 444 HH2 TRP 55 HH2 TRP 55 -6.240 -0.473 -11.049 445 H VAL 56 HN VAL 56 -5.489 2.101 -3.608 446 HA VAL 56 HA VAL 56 -6.857 4.283 -2.259 447 HB VAL 56 HB VAL 56 -5.040 4.266 -0.479 448 HG11 VAL 56 HG11 VAL 56 -6.051 2.495 0.878 449 HG12 VAL 56 HG12 VAL 56 -6.810 1.825 -0.565 450 HG13 VAL 56 HG13 VAL 56 -7.283 3.420 0.018 451 HG21 VAL 56 HG21 VAL 56 -4.521 1.480 -1.529 452 HG22 VAL 56 HG22 VAL 56 -3.797 2.202 -0.085 453 HG23 VAL 56 HG23 VAL 56 -3.431 2.858 -1.670 454 H LYS 57 HN LYS 57 -5.913 6.271 -2.645 455 HA LYS 57 HA LYS 57 -3.900 6.333 -4.665 456 HB2 LYS 57 HB2 LYS 57 -5.865 7.839 -4.621 457 HB3 LYS 57 HB1 LYS 57 -5.273 8.532 -3.126 458 HG2 LYS 57 HG2 LYS 57 -3.508 9.613 -4.191 459 HG3 LYS 57 HG1 LYS 57 -3.659 8.625 -5.649 460 HD2 LYS 57 HD2 LYS 57 -4.570 10.848 -6.049 461 HD3 LYS 57 HD1 LYS 57 -5.821 9.594 -6.075 462 HE2 LYS 57 HE2 LYS 57 -6.439 10.179 -3.782 463 HE3 LYS 57 HE1 LYS 57 -5.251 11.484 -3.798 464 HZ1 LYS 57 HZ1 LYS 57 -7.508 11.214 -5.675 465 HZ2 LYS 57 HZ2 LYS 57 -6.487 12.558 -5.548 466 HZ3 LYS 57 HZ3 LYS 57 -7.556 12.174 -4.296 467 H ALA 58 HN ALA 58 -2.049 7.998 -4.295 468 HA ALA 58 HA ALA 58 -0.270 6.829 -2.555 469 HB1 ALA 58 HB1 ALA 58 0.433 8.036 -4.503 470 HB2 ALA 58 HB2 ALA 58 1.243 8.676 -3.077 471 HB3 ALA 58 HB3 ALA 58 -0.106 9.557 -3.800 472 H ASP 59 HN ASP 59 -2.419 9.491 -2.056 473 HA ASP 59 HA ASP 59 -1.067 10.601 0.246 474 HB2 ASP 59 HB2 ASP 59 -2.813 12.197 0.329 475 HB3 ASP 59 HB1 ASP 59 -2.538 11.896 -1.383 476 H ARG 60 HN ARG 60 -3.273 8.118 -0.331 477 HA ARG 60 HA ARG 60 -4.435 8.017 2.365 478 HB2 ARG 60 HB2 ARG 60 -5.767 7.668 0.268 479 HB3 ARG 60 HB1 ARG 60 -4.777 6.278 -0.090 480 HG2 ARG 60 HG2 ARG 60 -6.821 5.486 0.771 481 HG3 ARG 60 HG1 ARG 60 -5.620 5.256 2.041 482 HD2 ARG 60 HD2 ARG 60 -6.420 7.205 3.204 483 HD3 ARG 60 HD1 ARG 60 -7.538 7.581 1.887 484 HE ARG 60 HE ARG 60 -7.643 5.130 3.464 485 HH11 ARG 60 HH11 ARG 60 -9.263 8.037 2.322 486 HH12 ARG 60 HH12 ARG 60 -10.848 7.429 2.466 487 HH21 ARG 60 HH21 ARG 60 -9.924 4.240 3.642 488 HH22 ARG 60 HH22 ARG 60 -11.222 5.258 3.215 489 H ILE 61 HN ILE 61 -1.701 7.124 0.816 490 HA ILE 61 HA ILE 61 -1.257 4.677 2.341 491 HB ILE 61 HB ILE 61 0.125 5.789 -0.136 492 HG12 ILE 61 HG12 ILE 61 -1.706 3.420 0.211 493 HG13 ILE 61 HG11 ILE 61 -2.051 4.903 -0.669 494 HG21 ILE 61 HG21 ILE 61 0.622 3.189 1.278 495 HG22 ILE 61 HG22 ILE 61 1.717 4.577 1.255 496 HG23 ILE 61 HG23 ILE 61 1.369 3.694 -0.239 497 HD11 ILE 61 HD11 ILE 61 -1.532 3.083 -2.184 498 HD12 ILE 61 HD12 ILE 61 0.003 2.832 -1.375 499 HD13 ILE 61 HD13 ILE 61 -0.282 4.331 -2.280 500 H ILE 62 HN ILE 62 0.653 4.621 3.549 501 HA ILE 62 HA ILE 62 2.070 7.178 3.875 502 HB ILE 62 HB ILE 62 2.209 4.782 5.756 503 HG12 ILE 62 HG12 ILE 62 1.010 6.369 7.409 504 HG13 ILE 62 HG11 ILE 62 0.423 7.209 5.968 505 HG21 ILE 62 HG21 ILE 62 3.255 6.327 7.326 506 HG22 ILE 62 HG22 ILE 62 3.200 7.581 6.087 507 HG23 ILE 62 HG23 ILE 62 4.164 6.128 5.828 508 HD11 ILE 62 HD11 ILE 62 -1.263 5.720 6.735 509 HD12 ILE 62 HD12 ILE 62 -0.117 4.400 6.884 510 HD13 ILE 62 HD13 ILE 62 -0.581 4.994 5.271 511 H TRP 63 HN TRP 63 3.898 7.150 2.718 512 HA TRP 63 HA TRP 63 4.894 4.664 1.724 513 HB2 TRP 63 HB2 TRP 63 5.740 7.519 1.236 514 HB3 TRP 63 HB1 TRP 63 6.554 6.134 0.495 515 HD1 TRP 63 HD1 TRP 63 3.330 8.145 0.289 516 HE1 TRP 63 HE1 TRP 63 1.937 7.308 -1.681 517 HE3 TRP 63 HE3 TRP 63 6.122 4.066 -0.958 518 HZ2 TRP 63 HZ2 TRP 63 2.022 5.163 -3.559 519 HZ3 TRP 63 HZ3 TRP 63 5.412 2.675 -2.851 520 HH2 TRP 63 HH2 TRP 63 3.418 3.190 -4.114 521 HA PRO 64 HA PRO 64 7.608 4.472 5.287 522 HB2 PRO 64 HB2 PRO 64 8.202 1.754 4.534 523 HB3 PRO 64 HB1 PRO 64 7.275 2.339 5.918 524 HG2 PRO 64 HG2 PRO 64 6.099 0.994 3.904 525 HG3 PRO 64 HG1 PRO 64 5.310 2.322 4.798 526 HD2 PRO 64 HD2 PRO 64 6.690 2.448 2.128 527 HD3 PRO 64 HD1 PRO 64 5.073 3.029 2.621 528 H LEU 65 HN LEU 65 9.418 5.446 5.129 529 HA LEU 65 HA LEU 65 11.615 3.917 4.287 530 HB2 LEU 65 HB2 LEU 65 11.128 5.072 2.177 531 HB3 LEU 65 HB1 LEU 65 11.195 6.620 3.001 532 HG LEU 65 HG LEU 65 13.547 6.399 3.401 533 HD11 LEU 65 HD11 LEU 65 13.568 4.069 3.949 534 HD12 LEU 65 HD12 LEU 65 14.788 4.374 2.698 535 HD13 LEU 65 HD13 LEU 65 13.235 3.614 2.283 536 HD21 LEU 65 HD21 LEU 65 12.876 7.176 1.184 537 HD22 LEU 65 HD22 LEU 65 12.879 5.512 0.601 538 HD23 LEU 65 HD23 LEU 65 14.392 6.273 1.112 539 H ASP 66 HN ASP 66 12.011 3.809 6.299 540 HA ASP 66 HA ASP 66 12.661 4.250 8.340 541 HB2 ASP 66 HB2 ASP 66 14.722 5.016 7.173 542 HB3 ASP 66 HB1 ASP 66 14.090 6.659 7.196 543 H LYS 67 HN LYS 67 10.538 4.566 8.669 544 HA LYS 67 HA LYS 67 9.477 7.219 9.044 545 HB2 LYS 67 HB2 LYS 67 7.954 5.430 8.409 546 HB3 LYS 67 HB1 LYS 67 8.384 4.507 9.836 547 HG2 LYS 67 HG2 LYS 67 6.199 5.500 10.143 548 HG3 LYS 67 HG1 LYS 67 7.360 6.228 11.247 549 HD2 LYS 67 HD2 LYS 67 5.909 7.935 10.336 550 HD3 LYS 67 HD1 LYS 67 7.550 8.174 9.751 551 HE2 LYS 67 HE2 LYS 67 6.976 7.186 7.619 552 HE3 LYS 67 HE1 LYS 67 5.361 6.793 8.204 553 HZ1 LYS 67 HZ1 LYS 67 5.420 8.805 6.832 554 HZ2 LYS 67 HZ2 LYS 67 6.443 9.538 7.941 555 HZ3 LYS 67 HZ3 LYS 67 4.869 9.121 8.388 556 H GLY 68 HN GLY 68 10.982 4.807 11.010 557 HA2 GLY 68 HA2 GLY 68 12.237 5.513 12.948 558 HA3 GLY 68 HA1 GLY 68 11.013 6.743 13.230 559 H LEU 69 HN LEU 69 9.863 3.670 12.317 560 HA LEU 69 HA LEU 69 9.398 3.000 15.118 561 HB2 LEU 69 HB2 LEU 69 7.398 2.738 12.873 562 HB3 LEU 69 HB1 LEU 69 7.275 1.874 14.386 563 HG LEU 69 HG LEU 69 7.135 4.122 15.549 564 HD11 LEU 69 HD11 LEU 69 8.072 5.519 13.780 565 HD12 LEU 69 HD12 LEU 69 6.455 6.050 14.249 566 HD13 LEU 69 HD13 LEU 69 6.685 5.131 12.762 567 HD21 LEU 69 HD21 LEU 69 5.178 2.742 15.192 568 HD22 LEU 69 HD22 LEU 69 4.982 3.409 13.572 569 HD23 LEU 69 HD23 LEU 69 4.773 4.447 14.982 570 H GLU 70 HN GLU 70 10.878 1.518 15.317 571 HA GLU 70 HA GLU 70 10.901 -0.719 13.451 572 HB2 GLU 70 HB2 GLU 70 13.070 0.232 14.344 573 HB3 GLU 70 HB1 GLU 70 12.594 -0.326 15.940 574 HG2 GLU 70 HG2 GLU 70 14.196 -1.812 14.775 575 HG3 GLU 70 HG1 GLU 70 12.697 -2.609 15.251 576 H HIS 71 HN HIS 71 10.029 0.212 16.648 577 HA HIS 71 HA HIS 71 8.700 -2.325 17.140 578 HB2 HIS 71 HB2 HIS 71 8.716 0.251 18.782 579 HB3 HIS 71 HB1 HIS 71 7.957 -1.255 19.282 580 HD1 HIS 71 HD1 HIS 71 9.452 -2.996 20.379 581 HD2 HIS 71 HD2 HIS 71 11.591 0.209 18.839 582 HE1 HIS 71 HE1 HIS 71 11.781 -3.264 21.230 583 HE2 HIS 71 HE2 HIS 71 13.087 -1.432 20.137 584 H HIS 72 HN HIS 72 7.339 -2.391 15.564 585 HA HIS 72 HA HIS 72 6.218 -0.407 14.100 586 HB2 HIS 72 HB2 HIS 72 6.046 -3.208 14.181 587 HB3 HIS 72 HB1 HIS 72 4.424 -2.563 13.991 588 HD1 HIS 72 HD1 HIS 72 7.696 -2.845 12.193 589 HD2 HIS 72 HD2 HIS 72 3.943 -1.188 11.637 590 HE1 HIS 72 HE1 HIS 72 7.578 -2.252 9.777 591 HE2 HIS 72 HE2 HIS 72 5.121 -1.707 9.472 592 H HIS 73 HN HIS 73 4.540 -1.998 16.789 593 HA HIS 73 HA HIS 73 2.208 -0.443 16.168 594 HB2 HIS 73 HB2 HIS 73 2.759 -2.447 18.329 595 HB3 HIS 73 HB1 HIS 73 1.303 -1.460 18.350 596 HD1 HIS 73 HD1 HIS 73 -0.604 -2.357 17.108 597 HD2 HIS 73 HD2 HIS 73 2.947 -4.069 15.845 598 HE1 HIS 73 HE1 HIS 73 -1.269 -4.167 15.489 599 HE2 HIS 73 HE2 HIS 73 0.907 -5.050 14.597 600 H HIS 74 HN HIS 74 4.804 -0.236 18.474 601 HA HIS 74 HA HIS 74 5.452 1.378 19.962 602 HB2 HIS 74 HB2 HIS 74 5.133 2.830 17.880 603 HB3 HIS 74 HB1 HIS 74 3.522 3.209 18.467 604 HD1 HIS 74 HD1 HIS 74 3.348 5.222 20.016 605 HD2 HIS 74 HD2 HIS 74 7.255 3.869 19.582 606 HE1 HIS 74 HE1 HIS 74 4.760 6.936 21.080 607 HE2 HIS 74 HE2 HIS 74 7.058 6.313 20.360 608 H HIS 75 HN HIS 75 3.183 -0.313 20.389 609 HA HIS 75 HA HIS 75 1.728 1.138 22.490 610 HB2 HIS 75 HB2 HIS 75 0.259 0.880 20.522 611 HB3 HIS 75 HB1 HIS 75 0.615 -0.836 20.467 612 HD1 HIS 75 HD1 HIS 75 -1.024 -2.287 21.603 613 HD2 HIS 75 HD2 HIS 75 -1.238 1.621 22.957 614 HE1 HIS 75 HE1 HIS 75 -2.997 -2.221 23.164 615 HE2 HIS 75 HE2 HIS 75 -3.012 0.125 24.066 616 H HIS 76 HN HIS 76 1.894 0.077 24.417 617 HA HIS 76 HA HIS 76 2.410 -2.775 24.461 618 HB2 HIS 76 HB2 HIS 76 4.223 -0.734 25.791 619 HB3 HIS 76 HB1 HIS 76 4.229 -2.451 26.161 620 HD1 HIS 76 HD1 HIS 76 5.508 0.044 23.774 621 HD2 HIS 76 HD2 HIS 76 5.292 -4.084 24.074 622 HE1 HIS 76 HE1 HIS 76 7.083 -0.825 22.048 623 HE2 HIS 76 HE2 HIS 76 7.168 -3.284 22.476 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 21.757 1.271 -12.753 2 H2 GLU 1 HT2 GLU 1 21.496 0.076 -13.940 3 H3 GLU 1 HT3 GLU 1 20.448 0.232 -12.629 4 HA GLU 1 HA GLU 1 20.832 2.344 -14.629 5 HB2 GLU 1 HB2 GLU 1 19.721 0.304 -15.571 6 HB3 GLU 1 HB1 GLU 1 18.553 0.364 -14.269 7 HG2 GLU 1 HG2 GLU 1 17.747 1.222 -16.472 8 HG3 GLU 1 HG1 GLU 1 17.562 2.344 -15.134 9 H ASP 2 HN ASP 2 19.302 4.110 -14.311 10 HA ASP 2 HA ASP 2 18.993 4.688 -11.503 11 HB2 ASP 2 HB2 ASP 2 18.335 6.292 -13.967 12 HB3 ASP 2 HB1 ASP 2 17.951 6.849 -12.342 13 H MET 3 HN MET 3 17.112 3.425 -13.938 14 HA MET 3 HA MET 3 14.535 4.004 -12.883 15 HB2 MET 3 HB2 MET 3 14.810 3.412 -15.242 16 HB3 MET 3 HB1 MET 3 15.478 1.856 -14.787 17 HG2 MET 3 HG2 MET 3 13.333 1.220 -13.793 18 HG3 MET 3 HG1 MET 3 12.656 2.774 -14.268 19 HE1 MET 3 HE1 MET 3 10.895 0.214 -16.677 20 HE2 MET 3 HE2 MET 3 10.657 1.462 -15.453 21 HE3 MET 3 HE3 MET 3 11.372 -0.084 -15.005 22 H GLU 4 HN GLU 4 13.936 3.253 -10.963 23 HA GLU 4 HA GLU 4 14.783 0.721 -9.972 24 HB2 GLU 4 HB2 GLU 4 12.539 2.580 -9.116 25 HB3 GLU 4 HB1 GLU 4 12.984 1.121 -8.242 26 HG2 GLU 4 HG2 GLU 4 15.190 2.017 -7.794 27 HG3 GLU 4 HG1 GLU 4 14.822 3.447 -8.746 28 HA PRO 5 HA PRO 5 12.073 -1.236 -12.919 29 HB2 PRO 5 HB2 PRO 5 12.745 -3.773 -11.611 30 HB3 PRO 5 HB1 PRO 5 13.064 -3.245 -13.265 31 HG2 PRO 5 HG2 PRO 5 15.039 -3.455 -11.455 32 HG3 PRO 5 HG1 PRO 5 15.030 -2.185 -12.697 33 HD2 PRO 5 HD2 PRO 5 14.280 -2.006 -9.801 34 HD3 PRO 5 HD1 PRO 5 15.249 -0.905 -10.813 35 H CYS 6 HN CYS 6 10.303 -0.254 -11.762 36 HA CYS 6 HA CYS 6 8.110 -0.405 -11.283 37 HB2 CYS 6 HB2 CYS 6 8.481 -3.397 -11.085 38 HB3 CYS 6 HB1 CYS 6 6.952 -2.541 -11.240 39 HG CYS 6 HG CYS 6 8.182 -1.400 -13.776 40 H LEU 7 HN LEU 7 6.608 -1.017 -9.514 41 HA LEU 7 HA LEU 7 8.085 -1.101 -6.994 42 HB2 LEU 7 HB2 LEU 7 6.404 0.319 -5.971 43 HB3 LEU 7 HB1 LEU 7 7.080 1.101 -7.372 44 HG LEU 7 HG LEU 7 4.351 -0.219 -7.304 45 HD11 LEU 7 HD11 LEU 7 3.474 2.054 -7.182 46 HD12 LEU 7 HD12 LEU 7 5.116 2.681 -7.037 47 HD13 LEU 7 HD13 LEU 7 4.448 1.653 -5.766 48 HD21 LEU 7 HD21 LEU 7 3.940 1.206 -9.315 49 HD22 LEU 7 HD22 LEU 7 5.107 -0.055 -9.592 50 HD23 LEU 7 HD23 LEU 7 5.657 1.613 -9.344 51 H THR 8 HN THR 8 6.911 -3.247 -8.652 52 HA THR 8 HA THR 8 4.635 -4.261 -7.341 53 HB THR 8 HB THR 8 5.511 -6.408 -8.545 54 HG1 THR 8 HG1 THR 8 6.829 -5.497 -10.423 55 HG21 THR 8 HG21 THR 8 4.629 -5.594 -10.677 56 HG22 THR 8 HG22 THR 8 4.780 -3.931 -10.105 57 HG23 THR 8 HG23 THR 8 3.636 -5.029 -9.334 58 H GLY 9 HN GLY 9 4.681 -4.947 -5.298 59 HA2 GLY 9 HA2 GLY 9 5.343 -6.535 -3.674 60 HA3 GLY 9 HA1 GLY 9 6.898 -6.671 -4.482 61 H THR 10 HN THR 10 6.086 -3.404 -4.215 62 HA THR 10 HA THR 10 7.931 -3.047 -2.054 63 HB THR 10 HB THR 10 6.099 -1.040 -3.375 64 HG1 THR 10 HG1 THR 10 8.127 -2.302 -4.412 65 HG21 THR 10 HG21 THR 10 7.679 0.664 -2.516 66 HG22 THR 10 HG22 THR 10 8.584 -0.612 -1.702 67 HG23 THR 10 HG23 THR 10 6.928 -0.254 -1.209 68 H LYS 11 HN LYS 11 7.417 -2.897 0.002 69 HA LYS 11 HA LYS 11 4.617 -3.239 0.680 70 HB2 LYS 11 HB2 LYS 11 7.085 -3.813 2.309 71 HB3 LYS 11 HB1 LYS 11 5.438 -4.013 2.900 72 HG2 LYS 11 HG2 LYS 11 5.021 -5.561 0.996 73 HG3 LYS 11 HG1 LYS 11 6.731 -5.455 0.609 74 HD2 LYS 11 HD2 LYS 11 7.312 -6.455 2.727 75 HD3 LYS 11 HD1 LYS 11 5.621 -6.432 3.242 76 HE2 LYS 11 HE2 LYS 11 5.020 -7.916 1.419 77 HE3 LYS 11 HE1 LYS 11 6.681 -7.928 0.844 78 HZ1 LYS 11 HZ1 LYS 11 5.811 -8.923 3.502 79 HZ2 LYS 11 HZ2 LYS 11 7.356 -9.084 2.821 80 HZ3 LYS 11 HZ3 LYS 11 6.051 -9.891 2.157 81 H VAL 12 HN VAL 12 3.459 -1.843 1.618 82 HA VAL 12 HA VAL 12 4.673 0.604 2.707 83 HB VAL 12 HB VAL 12 2.904 1.905 1.616 84 HG11 VAL 12 HG11 VAL 12 3.653 1.730 -0.708 85 HG12 VAL 12 HG12 VAL 12 4.399 0.177 -0.342 86 HG13 VAL 12 HG13 VAL 12 5.008 1.645 0.416 87 HG21 VAL 12 HG21 VAL 12 1.172 0.176 1.528 88 HG22 VAL 12 HG22 VAL 12 2.085 -0.693 0.294 89 HG23 VAL 12 HG23 VAL 12 1.415 0.903 -0.058 90 H LYS 13 HN LYS 13 2.661 1.900 3.702 91 HA LYS 13 HA LYS 13 0.911 -0.006 4.998 92 HB2 LYS 13 HB2 LYS 13 2.621 0.686 6.615 93 HB3 LYS 13 HB1 LYS 13 2.297 2.373 6.272 94 HG2 LYS 13 HG2 LYS 13 0.249 2.324 7.394 95 HG3 LYS 13 HG1 LYS 13 0.204 0.562 7.415 96 HD2 LYS 13 HD2 LYS 13 0.798 1.636 9.603 97 HD3 LYS 13 HD1 LYS 13 1.972 0.455 9.024 98 HE2 LYS 13 HE2 LYS 13 3.362 2.234 8.189 99 HE3 LYS 13 HE1 LYS 13 2.207 3.458 8.735 100 HZ1 LYS 13 HZ1 LYS 13 2.630 2.685 11.032 101 HZ2 LYS 13 HZ2 LYS 13 4.037 3.224 10.275 102 HZ3 LYS 13 HZ3 LYS 13 3.774 1.582 10.443 103 H VAL 14 HN VAL 14 -1.199 0.838 5.413 104 HA VAL 14 HA VAL 14 -1.854 3.117 3.682 105 HB VAL 14 HB VAL 14 -3.276 0.431 3.812 106 HG11 VAL 14 HG11 VAL 14 -4.006 2.841 2.155 107 HG12 VAL 14 HG12 VAL 14 -4.860 2.292 3.598 108 HG13 VAL 14 HG13 VAL 14 -4.801 1.260 2.165 109 HG21 VAL 14 HG21 VAL 14 -1.250 0.363 2.447 110 HG22 VAL 14 HG22 VAL 14 -1.807 1.754 1.519 111 HG23 VAL 14 HG23 VAL 14 -2.689 0.234 1.439 112 H LYS 15 HN LYS 15 -3.384 4.441 4.427 113 HA LYS 15 HA LYS 15 -4.516 3.963 7.102 114 HB2 LYS 15 HB2 LYS 15 -2.967 5.848 6.955 115 HB3 LYS 15 HB1 LYS 15 -3.846 6.474 5.565 116 HG2 LYS 15 HG2 LYS 15 -5.791 6.843 7.046 117 HG3 LYS 15 HG1 LYS 15 -4.794 6.338 8.416 118 HD2 LYS 15 HD2 LYS 15 -3.230 8.134 7.991 119 HD3 LYS 15 HD1 LYS 15 -4.114 8.598 6.538 120 HE2 LYS 15 HE2 LYS 15 -6.062 9.130 7.911 121 HE3 LYS 15 HE1 LYS 15 -5.157 8.691 9.357 122 HZ1 LYS 15 HZ1 LYS 15 -5.147 11.066 9.018 123 HZ2 LYS 15 HZ2 LYS 15 -4.481 10.898 7.483 124 HZ3 LYS 15 HZ3 LYS 15 -3.587 10.464 8.846 125 H TYR 16 HN TYR 16 -6.625 3.230 6.724 126 HA TYR 16 HA TYR 16 -8.179 4.707 4.693 127 HB2 TYR 16 HB2 TYR 16 -7.264 2.308 4.124 128 HB3 TYR 16 HB1 TYR 16 -8.558 1.776 5.176 129 HD1 TYR 16 HD1 TYR 16 -10.916 3.086 4.518 130 HD2 TYR 16 HD2 TYR 16 -7.691 2.197 1.923 131 HE1 TYR 16 HE1 TYR 16 -12.456 3.120 2.586 132 HE2 TYR 16 HE2 TYR 16 -9.211 2.236 -0.011 133 HH TYR 16 HH TYR 16 -11.547 1.934 -0.469 134 H GLY 17 HN GLY 17 -9.740 5.757 5.882 135 HA2 GLY 17 HA2 GLY 17 -11.301 4.096 7.670 136 HA3 GLY 17 HA1 GLY 17 -10.501 5.475 8.389 137 H ARG 18 HN ARG 18 -13.170 4.897 8.399 138 HA ARG 18 HA ARG 18 -14.098 7.388 7.411 139 HB2 ARG 18 HB2 ARG 18 -16.189 6.345 6.505 140 HB3 ARG 18 HB1 ARG 18 -14.744 6.009 5.575 141 HG2 ARG 18 HG2 ARG 18 -14.656 3.747 6.666 142 HG3 ARG 18 HG1 ARG 18 -16.190 4.116 7.435 143 HD2 ARG 18 HD2 ARG 18 -15.663 4.026 4.470 144 HD3 ARG 18 HD1 ARG 18 -16.599 2.862 5.404 145 HE ARG 18 HE ARG 18 -17.981 4.984 5.952 146 HH11 ARG 18 HH11 ARG 18 -16.623 4.198 2.772 147 HH12 ARG 18 HH12 ARG 18 -17.803 5.045 1.908 148 HH21 ARG 18 HH21 ARG 18 -19.571 6.140 4.780 149 HH22 ARG 18 HH22 ARG 18 -19.513 6.224 3.082 150 H GLY 19 HN GLY 19 -14.520 8.288 9.226 151 HA2 GLY 19 HA2 GLY 19 -15.766 8.828 11.070 152 HA3 GLY 19 HA1 GLY 19 -16.670 7.328 10.866 153 H LYS 20 HN LYS 20 -16.491 6.113 12.549 154 HA LYS 20 HA LYS 20 -14.250 6.247 14.318 155 HB2 LYS 20 HB2 LYS 20 -16.518 5.979 15.218 156 HB3 LYS 20 HB1 LYS 20 -16.724 4.500 14.312 157 HG2 LYS 20 HG2 LYS 20 -16.389 3.792 16.519 158 HG3 LYS 20 HG1 LYS 20 -14.831 3.548 15.746 159 HD2 LYS 20 HD2 LYS 20 -15.512 5.972 17.429 160 HD3 LYS 20 HD1 LYS 20 -14.777 4.520 18.080 161 HE2 LYS 20 HE2 LYS 20 -12.837 4.865 16.574 162 HE3 LYS 20 HE1 LYS 20 -13.591 6.346 15.986 163 HZ1 LYS 20 HZ1 LYS 20 -11.995 6.866 17.629 164 HZ2 LYS 20 HZ2 LYS 20 -12.714 5.832 18.745 165 HZ3 LYS 20 HZ3 LYS 20 -13.538 7.218 18.214 166 H THR 21 HN THR 21 -15.421 4.323 11.769 167 HA THR 21 HA THR 21 -13.735 2.059 12.253 168 HB THR 21 HB THR 21 -15.586 2.839 10.004 169 HG1 THR 21 HG1 THR 21 -15.809 1.396 12.392 170 HG21 THR 21 HG21 THR 21 -15.467 0.438 9.353 171 HG22 THR 21 HG22 THR 21 -14.146 0.212 10.512 172 HG23 THR 21 HG23 THR 21 -13.956 1.302 9.128 173 H GLN 22 HN GLN 22 -11.644 2.750 12.122 174 HA GLN 22 HA GLN 22 -10.684 3.476 9.463 175 HB2 GLN 22 HB2 GLN 22 -10.863 5.569 10.740 176 HB3 GLN 22 HB1 GLN 22 -9.886 4.875 12.020 177 HG2 GLN 22 HG2 GLN 22 -7.961 4.853 10.668 178 HG3 GLN 22 HG1 GLN 22 -8.832 5.251 9.203 179 HE21 GLN 22 HE21 GLN 22 -7.861 7.144 8.731 180 HE22 GLN 22 HE22 GLN 22 -7.880 8.535 9.738 181 H LYS 23 HN LYS 23 -8.982 2.250 8.866 182 HA LYS 23 HA LYS 23 -7.531 0.900 11.030 183 HB2 LYS 23 HB2 LYS 23 -7.935 -0.327 8.303 184 HB3 LYS 23 HB1 LYS 23 -7.280 -1.079 9.733 185 HG2 LYS 23 HG2 LYS 23 -9.312 -2.082 9.630 186 HG3 LYS 23 HG1 LYS 23 -9.745 -0.682 10.615 187 HD2 LYS 23 HD2 LYS 23 -10.629 0.469 8.739 188 HD3 LYS 23 HD1 LYS 23 -9.969 -0.717 7.612 189 HE2 LYS 23 HE2 LYS 23 -11.418 -2.424 8.649 190 HE3 LYS 23 HE1 LYS 23 -12.161 -1.153 9.626 191 HZ1 LYS 23 HZ1 LYS 23 -12.915 -0.082 7.580 192 HZ2 LYS 23 HZ2 LYS 23 -13.458 -1.674 7.629 193 HZ3 LYS 23 HZ3 LYS 23 -12.147 -1.264 6.661 194 H ILE 24 HN ILE 24 -5.385 1.209 10.916 195 HA ILE 24 HA ILE 24 -4.259 2.045 8.359 196 HB ILE 24 HB ILE 24 -3.015 2.125 11.135 197 HG12 ILE 24 HG12 ILE 24 -4.017 4.482 9.538 198 HG13 ILE 24 HG11 ILE 24 -5.019 3.664 10.736 199 HG21 ILE 24 HG21 ILE 24 -1.298 3.519 10.050 200 HG22 ILE 24 HG22 ILE 24 -2.160 3.377 8.512 201 HG23 ILE 24 HG23 ILE 24 -1.430 1.955 9.230 202 HD11 ILE 24 HD11 ILE 24 -3.974 5.653 11.651 203 HD12 ILE 24 HD12 ILE 24 -2.374 4.988 11.268 204 HD13 ILE 24 HD13 ILE 24 -3.425 4.172 12.439 205 H TYR 25 HN TYR 25 -3.599 0.347 7.319 206 HA TYR 25 HA TYR 25 -2.442 -1.856 8.814 207 HB2 TYR 25 HB2 TYR 25 -3.553 -3.326 6.880 208 HB3 TYR 25 HB1 TYR 25 -4.368 -2.984 8.389 209 HD1 TYR 25 HD1 TYR 25 -4.085 -0.570 5.519 210 HD2 TYR 25 HD2 TYR 25 -6.533 -3.306 7.649 211 HE1 TYR 25 HE1 TYR 25 -6.056 0.187 4.234 212 HE2 TYR 25 HE2 TYR 25 -8.486 -2.570 6.388 213 HH TYR 25 HH TYR 25 -8.287 -0.812 3.564 214 H GLU 26 HN GLU 26 -1.243 -3.414 7.359 215 HA GLU 26 HA GLU 26 0.385 -1.715 5.613 216 HB2 GLU 26 HB2 GLU 26 1.159 -4.170 7.167 217 HB3 GLU 26 HB1 GLU 26 2.225 -3.265 6.103 218 HG2 GLU 26 HG2 GLU 26 2.079 -1.316 7.550 219 HG3 GLU 26 HG1 GLU 26 0.904 -2.149 8.567 220 H ALA 27 HN ALA 27 0.996 -2.399 3.611 221 HA ALA 27 HA ALA 27 -0.036 -4.929 2.630 222 HB1 ALA 27 HB1 ALA 27 -1.256 -3.879 0.804 223 HB2 ALA 27 HB2 ALA 27 -0.864 -2.284 1.449 224 HB3 ALA 27 HB3 ALA 27 -1.903 -3.374 2.366 225 H SER 28 HN SER 28 0.448 -4.941 0.134 226 HA SER 28 HA SER 28 3.037 -3.670 -0.390 227 HB2 SER 28 HB2 SER 28 2.191 -6.411 -1.309 228 HB3 SER 28 HB1 SER 28 3.803 -5.676 -1.368 229 HG SER 28 HG SER 28 3.093 -5.560 1.111 230 H ILE 29 HN ILE 29 3.180 -2.758 -2.386 231 HA ILE 29 HA ILE 29 0.783 -2.293 -3.841 232 HB ILE 29 HB ILE 29 3.616 -1.734 -4.765 233 HG12 ILE 29 HG12 ILE 29 3.314 -0.696 -2.581 234 HG13 ILE 29 HG11 ILE 29 3.314 0.543 -3.827 235 HG21 ILE 29 HG21 ILE 29 2.562 0.049 -6.108 236 HG22 ILE 29 HG22 ILE 29 0.981 -0.479 -5.539 237 HG23 ILE 29 HG23 ILE 29 1.958 -1.554 -6.534 238 HD11 ILE 29 HD11 ILE 29 1.636 1.045 -2.199 239 HD12 ILE 29 HD12 ILE 29 0.938 -0.561 -2.347 240 HD13 ILE 29 HD13 ILE 29 0.827 0.578 -3.699 241 H LYS 30 HN LYS 30 -0.041 -3.374 -5.491 242 HA LYS 30 HA LYS 30 1.515 -5.595 -6.598 243 HB2 LYS 30 HB2 LYS 30 -0.928 -5.741 -5.546 244 HB3 LYS 30 HB1 LYS 30 -1.418 -5.175 -7.129 245 HG2 LYS 30 HG2 LYS 30 0.222 -7.665 -6.645 246 HG3 LYS 30 HG1 LYS 30 -1.524 -7.654 -6.820 247 HD2 LYS 30 HD2 LYS 30 0.376 -6.637 -8.930 248 HD3 LYS 30 HD1 LYS 30 -0.206 -8.299 -8.881 249 HE2 LYS 30 HE2 LYS 30 -2.505 -7.503 -9.078 250 HE3 LYS 30 HE1 LYS 30 -1.931 -5.837 -9.088 251 HZ1 LYS 30 HZ1 LYS 30 -1.212 -7.861 -11.137 252 HZ2 LYS 30 HZ2 LYS 30 -0.804 -6.225 -11.141 253 HZ3 LYS 30 HZ3 LYS 30 -2.405 -6.688 -11.324 254 H SER 31 HN SER 31 -0.542 -2.810 -7.545 255 HA SER 31 HA SER 31 1.077 -2.358 -9.880 256 HB2 SER 31 HB2 SER 31 -1.871 -3.021 -10.182 257 HB3 SER 31 HB1 SER 31 -0.801 -2.456 -11.473 258 HG SER 31 HG SER 31 0.443 -4.439 -10.463 259 H THR 32 HN THR 32 0.259 -0.312 -11.033 260 HA THR 32 HA THR 32 -1.401 1.371 -9.312 261 HB THR 32 HB THR 32 1.026 2.523 -10.627 262 HG1 THR 32 HG1 THR 32 0.885 0.831 -8.423 263 HG21 THR 32 HG21 THR 32 0.800 4.127 -8.832 264 HG22 THR 32 HG22 THR 32 -0.549 3.195 -8.178 265 HG23 THR 32 HG23 THR 32 -0.688 3.956 -9.761 266 H GLU 33 HN GLU 33 -2.492 2.985 -10.513 267 HA GLU 33 HA GLU 33 -1.902 3.408 -13.282 268 HB2 GLU 33 HB2 GLU 33 -4.096 2.898 -14.048 269 HB3 GLU 33 HB1 GLU 33 -3.270 1.475 -13.345 270 HG2 GLU 33 HG2 GLU 33 -4.604 1.722 -11.327 271 HG3 GLU 33 HG1 GLU 33 -5.461 3.082 -12.055 272 H ILE 34 HN ILE 34 -3.326 5.174 -14.123 273 HA ILE 34 HA ILE 34 -4.007 6.918 -11.876 274 HB ILE 34 HB ILE 34 -3.004 7.727 -14.612 275 HG12 ILE 34 HG12 ILE 34 -1.099 8.796 -13.337 276 HG13 ILE 34 HG11 ILE 34 -1.711 8.017 -11.891 277 HG21 ILE 34 HG21 ILE 34 -4.641 9.332 -13.874 278 HG22 ILE 34 HG22 ILE 34 -3.041 10.060 -13.774 279 HG23 ILE 34 HG23 ILE 34 -3.842 9.480 -12.311 280 HD11 ILE 34 HD11 ILE 34 -1.338 5.857 -12.936 281 HD12 ILE 34 HD12 ILE 34 0.151 6.782 -12.730 282 HD13 ILE 34 HD13 ILE 34 -0.601 6.646 -14.335 283 H ASP 35 HN ASP 35 -6.032 7.545 -11.771 284 HA ASP 35 HA ASP 35 -7.652 7.428 -14.203 285 HB2 ASP 35 HB2 ASP 35 -8.156 5.398 -12.843 286 HB3 ASP 35 HB1 ASP 35 -8.629 6.440 -11.511 287 H ASP 36 HN ASP 36 -8.047 9.370 -14.611 288 HA ASP 36 HA ASP 36 -8.788 11.444 -14.579 289 HB2 ASP 36 HB2 ASP 36 -10.912 10.343 -13.882 290 HB3 ASP 36 HB1 ASP 36 -10.486 10.650 -12.203 291 H GLY 37 HN GLY 37 -6.550 11.739 -13.949 292 HA2 GLY 37 HA2 GLY 37 -5.206 13.442 -13.148 293 HA3 GLY 37 HA1 GLY 37 -6.513 13.938 -12.096 294 H GLU 38 HN GLU 38 -6.580 11.107 -10.944 295 HA GLU 38 HA GLU 38 -4.241 11.479 -9.231 296 HB2 GLU 38 HB2 GLU 38 -5.681 10.447 -7.414 297 HB3 GLU 38 HB1 GLU 38 -6.082 12.083 -7.929 298 HG2 GLU 38 HG2 GLU 38 -7.927 11.262 -9.237 299 HG3 GLU 38 HG1 GLU 38 -7.489 9.601 -8.853 300 H VAL 39 HN VAL 39 -3.270 9.706 -8.330 301 HA VAL 39 HA VAL 39 -3.380 7.439 -10.144 302 HB VAL 39 HB VAL 39 -1.256 8.630 -10.052 303 HG11 VAL 39 HG11 VAL 39 -1.227 8.014 -7.133 304 HG12 VAL 39 HG12 VAL 39 -1.294 9.596 -7.909 305 HG13 VAL 39 HG13 VAL 39 0.165 8.604 -8.049 306 HG21 VAL 39 HG21 VAL 39 -1.210 6.227 -10.493 307 HG22 VAL 39 HG22 VAL 39 -1.052 5.884 -8.786 308 HG23 VAL 39 HG23 VAL 39 0.242 6.706 -9.637 309 H LEU 40 HN LEU 40 -4.011 5.563 -9.533 310 HA LEU 40 HA LEU 40 -4.662 5.098 -6.720 311 HB2 LEU 40 HB2 LEU 40 -5.882 3.872 -9.186 312 HB3 LEU 40 HB1 LEU 40 -6.380 3.594 -7.531 313 HG LEU 40 HG LEU 40 -6.654 6.164 -9.082 314 HD11 LEU 40 HD11 LEU 40 -8.221 4.461 -9.754 315 HD12 LEU 40 HD12 LEU 40 -9.036 5.747 -8.860 316 HD13 LEU 40 HD13 LEU 40 -8.697 4.206 -8.072 317 HD21 LEU 40 HD21 LEU 40 -7.861 7.005 -7.119 318 HD22 LEU 40 HD22 LEU 40 -6.175 6.642 -6.754 319 HD23 LEU 40 HD23 LEU 40 -7.446 5.535 -6.232 320 H TYR 41 HN TYR 41 -3.915 3.378 -5.819 321 HA TYR 41 HA TYR 41 -2.090 1.635 -7.303 322 HB2 TYR 41 HB2 TYR 41 -2.130 2.424 -4.378 323 HB3 TYR 41 HB1 TYR 41 -1.037 1.241 -5.080 324 HD1 TYR 41 HD2 TYR 41 -2.046 4.846 -5.443 325 HD2 TYR 41 HD1 TYR 41 1.063 1.957 -5.788 326 HE1 TYR 41 HE2 TYR 41 -0.497 6.592 -5.950 327 HE2 TYR 41 HE1 TYR 41 2.655 3.771 -6.298 328 HH TYR 41 HH TYR 41 2.558 6.106 -7.218 329 H LEU 42 HN LEU 42 -2.284 -0.520 -6.981 330 HA LEU 42 HA LEU 42 -4.634 -1.420 -5.484 331 HB2 LEU 42 HB2 LEU 42 -4.709 -2.051 -7.840 332 HB3 LEU 42 HB1 LEU 42 -3.094 -2.725 -7.737 333 HG LEU 42 HG LEU 42 -3.911 -4.482 -6.240 334 HD11 LEU 42 HD11 LEU 42 -6.314 -4.784 -5.881 335 HD12 LEU 42 HD12 LEU 42 -6.622 -3.236 -6.663 336 HD13 LEU 42 HD13 LEU 42 -5.727 -3.296 -5.149 337 HD21 LEU 42 HD21 LEU 42 -5.512 -4.221 -8.783 338 HD22 LEU 42 HD22 LEU 42 -5.249 -5.713 -7.881 339 HD23 LEU 42 HD23 LEU 42 -3.886 -4.890 -8.636 340 H VAL 43 HN VAL 43 -4.162 -2.369 -3.635 341 HA VAL 43 HA VAL 43 -1.403 -3.301 -3.279 342 HB VAL 43 HB VAL 43 -1.402 -2.462 -1.029 343 HG11 VAL 43 HG11 VAL 43 -2.615 -0.339 -2.742 344 HG12 VAL 43 HG12 VAL 43 -0.938 -0.849 -2.762 345 HG13 VAL 43 HG13 VAL 43 -1.612 -0.104 -1.307 346 HG21 VAL 43 HG21 VAL 43 -4.307 -1.687 -1.419 347 HG22 VAL 43 HG22 VAL 43 -3.334 -1.350 0.014 348 HG23 VAL 43 HG23 VAL 43 -3.731 -3.014 -0.412 349 H HIS 44 HN HIS 44 -1.120 -5.091 -2.013 350 HA HIS 44 HA HIS 44 -3.521 -6.592 -1.288 351 HB2 HIS 44 HB2 HIS 44 -2.508 -8.705 -1.987 352 HB3 HIS 44 HB1 HIS 44 -2.522 -7.610 -3.354 353 HD1 HIS 44 HD1 HIS 44 -0.125 -6.610 -4.036 354 HD2 HIS 44 HD2 HIS 44 -0.064 -9.700 -1.268 355 HE1 HIS 44 HE1 HIS 44 2.233 -7.454 -4.022 356 HE2 HIS 44 HE2 HIS 44 2.070 -9.562 -2.679 357 H TYR 45 HN TYR 45 -3.330 -7.692 0.659 358 HA TYR 45 HA TYR 45 -1.501 -6.220 2.254 359 HB2 TYR 45 HB2 TYR 45 -3.939 -7.794 3.005 360 HB3 TYR 45 HB1 TYR 45 -2.875 -7.057 4.213 361 HD1 TYR 45 HD1 TYR 45 -4.957 -6.260 1.226 362 HD2 TYR 45 HD2 TYR 45 -2.988 -4.760 4.672 363 HE1 TYR 45 HE1 TYR 45 -5.948 -4.050 0.815 364 HE2 TYR 45 HE2 TYR 45 -3.981 -2.557 4.278 365 HH TYR 45 HH TYR 45 -6.492 -1.892 2.106 366 H TYR 46 HN TYR 46 0.233 -6.682 3.026 367 HA TYR 46 HA TYR 46 2.068 -7.603 3.733 368 HB2 TYR 46 HB2 TYR 46 0.175 -9.671 4.735 369 HB3 TYR 46 HB1 TYR 46 1.913 -9.899 4.922 370 HD1 TYR 46 HD1 TYR 46 3.221 -8.010 6.024 371 HD2 TYR 46 HD2 TYR 46 -1.002 -8.380 6.299 372 HE1 TYR 46 HE1 TYR 46 3.260 -6.609 8.007 373 HE2 TYR 46 HE2 TYR 46 -0.999 -6.965 8.303 374 HH TYR 46 HH TYR 46 1.712 -5.141 9.319 375 H GLY 47 HN GLY 47 0.357 -10.027 1.894 376 HA2 GLY 47 HA2 GLY 47 1.694 -10.518 -0.222 377 HA3 GLY 47 HA1 GLY 47 3.001 -10.887 0.901 378 H TRP 48 HN TRP 48 1.261 -12.038 2.859 379 HA TRP 48 HA TRP 48 1.167 -14.716 1.991 380 HB2 TRP 48 HB2 TRP 48 1.356 -14.024 4.378 381 HB3 TRP 48 HB1 TRP 48 -0.301 -13.437 4.324 382 HD1 TRP 48 HD1 TRP 48 -2.128 -15.148 4.990 383 HE1 TRP 48 HE1 TRP 48 -2.168 -17.688 5.460 384 HE3 TRP 48 HE3 TRP 48 2.618 -16.334 3.489 385 HZ2 TRP 48 HZ2 TRP 48 -0.431 -19.889 5.210 386 HZ3 TRP 48 HZ3 TRP 48 3.343 -18.681 3.632 387 HH2 TRP 48 HH2 TRP 48 1.851 -20.416 4.471 388 H ASN 49 HN ASN 49 -1.374 -12.285 2.458 389 HA ASN 49 HA ASN 49 -3.123 -13.954 0.833 390 HB2 ASN 49 HB2 ASN 49 -4.097 -13.475 3.031 391 HB3 ASN 49 HB1 ASN 49 -3.868 -11.749 2.772 392 HD21 ASN 49 HD21 ASN 49 -6.128 -11.535 3.142 393 HD22 ASN 49 HD22 ASN 49 -7.269 -11.883 1.884 394 H VAL 50 HN VAL 50 -2.783 -13.446 -1.127 395 HA VAL 50 HA VAL 50 -2.201 -10.734 -1.947 396 HB VAL 50 HB VAL 50 -2.378 -13.256 -3.626 397 HG11 VAL 50 HG11 VAL 50 -1.018 -12.038 -5.264 398 HG12 VAL 50 HG12 VAL 50 -1.097 -10.598 -4.251 399 HG13 VAL 50 HG13 VAL 50 -2.568 -11.248 -4.977 400 HG21 VAL 50 HG21 VAL 50 0.032 -11.970 -2.357 401 HG22 VAL 50 HG22 VAL 50 0.085 -13.302 -3.508 402 HG23 VAL 50 HG23 VAL 50 -0.673 -13.528 -1.932 403 H ARG 51 HN ARG 51 -4.860 -12.883 -1.705 404 HA ARG 51 HA ARG 51 -6.308 -11.714 -3.876 405 HB2 ARG 51 HB2 ARG 51 -6.589 -14.122 -3.130 406 HB3 ARG 51 HB1 ARG 51 -7.460 -13.501 -1.730 407 HG2 ARG 51 HG2 ARG 51 -9.101 -12.461 -3.197 408 HG3 ARG 51 HG1 ARG 51 -8.221 -13.043 -4.599 409 HD2 ARG 51 HD2 ARG 51 -8.632 -15.342 -3.886 410 HD3 ARG 51 HD1 ARG 51 -9.569 -14.744 -2.506 411 HE ARG 51 HE ARG 51 -10.728 -13.533 -4.591 412 HH11 ARG 51 HH11 ARG 51 -10.043 -16.937 -3.954 413 HH12 ARG 51 HH12 ARG 51 -11.255 -17.513 -4.997 414 HH21 ARG 51 HH21 ARG 51 -12.383 -14.291 -5.958 415 HH22 ARG 51 HH22 ARG 51 -12.660 -15.961 -6.168 416 H TYR 52 HN TYR 52 -5.684 -10.761 -0.723 417 HA TYR 52 HA TYR 52 -8.133 -9.276 -0.369 418 HB2 TYR 52 HB2 TYR 52 -6.371 -9.945 1.485 419 HB3 TYR 52 HB1 TYR 52 -5.519 -8.506 0.938 420 HD1 TYR 52 HD1 TYR 52 -7.333 -6.407 0.647 421 HD2 TYR 52 HD2 TYR 52 -7.599 -9.627 3.401 422 HE1 TYR 52 HE1 TYR 52 -8.727 -5.019 2.115 423 HE2 TYR 52 HE2 TYR 52 -9.003 -8.253 4.875 424 HH TYR 52 HH TYR 52 -10.331 -5.267 3.853 425 H ASP 53 HN ASP 53 -8.557 -7.946 -1.854 426 HA ASP 53 HA ASP 53 -6.453 -6.511 -3.333 427 HB2 ASP 53 HB2 ASP 53 -7.755 -8.249 -4.502 428 HB3 ASP 53 HB1 ASP 53 -9.229 -7.385 -4.110 429 H GLU 54 HN GLU 54 -6.430 -4.349 -2.826 430 HA GLU 54 HA GLU 54 -8.958 -2.961 -2.788 431 HB2 GLU 54 HB2 GLU 54 -8.613 -3.579 -0.397 432 HB3 GLU 54 HB1 GLU 54 -7.043 -2.800 -0.437 433 HG2 GLU 54 HG2 GLU 54 -8.003 -0.649 -0.604 434 HG3 GLU 54 HG1 GLU 54 -9.600 -1.312 -0.941 435 H TRP 55 HN TRP 55 -8.918 -0.891 -3.299 436 HA TRP 55 HA TRP 55 -6.479 -0.023 -4.655 437 HB2 TRP 55 HB2 TRP 55 -9.382 0.624 -5.124 438 HB3 TRP 55 HB1 TRP 55 -8.055 1.410 -5.964 439 HD1 TRP 55 HD1 TRP 55 -9.749 -2.023 -5.637 440 HE1 TRP 55 HE1 TRP 55 -9.190 -3.377 -7.780 441 HE3 TRP 55 HE3 TRP 55 -6.424 1.195 -7.757 442 HZ2 TRP 55 HZ2 TRP 55 -7.520 -3.090 -10.047 443 HZ3 TRP 55 HZ3 TRP 55 -5.373 0.596 -9.879 444 HH2 TRP 55 HH2 TRP 55 -5.906 -1.495 -11.010 445 H VAL 56 HN VAL 56 -5.456 1.612 -3.842 446 HA VAL 56 HA VAL 56 -6.922 3.636 -2.363 447 HB VAL 56 HB VAL 56 -5.024 3.788 -0.701 448 HG11 VAL 56 HG11 VAL 56 -6.525 1.178 -0.772 449 HG12 VAL 56 HG12 VAL 56 -7.133 2.715 -0.153 450 HG13 VAL 56 HG13 VAL 56 -5.789 1.912 0.654 451 HG21 VAL 56 HG21 VAL 56 -3.559 1.864 -0.421 452 HG22 VAL 56 HG22 VAL 56 -3.354 2.569 -2.029 453 HG23 VAL 56 HG23 VAL 56 -4.291 1.091 -1.828 454 H LYS 57 HN LYS 57 -6.134 5.668 -2.532 455 HA LYS 57 HA LYS 57 -4.476 6.203 -4.796 456 HB2 LYS 57 HB2 LYS 57 -6.540 7.403 -4.408 457 HB3 LYS 57 HB1 LYS 57 -5.987 7.906 -2.824 458 HG2 LYS 57 HG2 LYS 57 -4.433 9.407 -3.746 459 HG3 LYS 57 HG1 LYS 57 -4.622 8.718 -5.361 460 HD2 LYS 57 HD2 LYS 57 -5.836 10.829 -5.190 461 HD3 LYS 57 HD1 LYS 57 -6.904 9.436 -5.409 462 HE2 LYS 57 HE2 LYS 57 -7.560 9.473 -3.115 463 HE3 LYS 57 HE1 LYS 57 -6.367 10.719 -2.738 464 HZ1 LYS 57 HZ1 LYS 57 -7.550 12.294 -3.978 465 HZ2 LYS 57 HZ2 LYS 57 -8.742 11.524 -3.075 466 HZ3 LYS 57 HZ3 LYS 57 -8.530 11.161 -4.712 467 H ALA 58 HN ALA 58 -2.660 7.768 -4.639 468 HA ALA 58 HA ALA 58 -0.602 6.966 -2.957 469 HB1 ALA 58 HB1 ALA 58 -0.327 8.187 -5.079 470 HB2 ALA 58 HB2 ALA 58 0.639 8.867 -3.775 471 HB3 ALA 58 HB3 ALA 58 -0.856 9.662 -4.277 472 H ASP 59 HN ASP 59 -2.961 9.427 -2.513 473 HA ASP 59 HA ASP 59 -1.738 10.775 -0.279 474 HB2 ASP 59 HB2 ASP 59 -4.610 10.849 -1.231 475 HB3 ASP 59 HB1 ASP 59 -3.873 11.966 -0.096 476 H ARG 60 HN ARG 60 -3.087 7.786 -0.487 477 HA ARG 60 HA ARG 60 -4.435 7.885 2.139 478 HB2 ARG 60 HB2 ARG 60 -5.599 7.212 -0.070 479 HB3 ARG 60 HB1 ARG 60 -4.623 5.768 0.006 480 HG2 ARG 60 HG2 ARG 60 -6.817 5.291 0.820 481 HG3 ARG 60 HG1 ARG 60 -5.691 5.231 2.181 482 HD2 ARG 60 HD2 ARG 60 -6.400 7.291 3.010 483 HD3 ARG 60 HD1 ARG 60 -7.223 7.726 1.507 484 HE ARG 60 HE ARG 60 -8.333 5.394 2.543 485 HH11 ARG 60 HH11 ARG 60 -8.076 8.779 3.500 486 HH12 ARG 60 HH12 ARG 60 -9.659 8.927 4.074 487 HH21 ARG 60 HH21 ARG 60 -10.622 5.572 3.373 488 HH22 ARG 60 HH22 ARG 60 -11.124 7.048 3.998 489 H ILE 61 HN ILE 61 -1.500 7.237 0.835 490 HA ILE 61 HA ILE 61 -1.103 4.703 2.249 491 HB ILE 61 HB ILE 61 0.370 5.727 -0.206 492 HG12 ILE 61 HG12 ILE 61 -1.714 3.553 0.063 493 HG13 ILE 61 HG11 ILE 61 -1.925 5.105 -0.739 494 HG21 ILE 61 HG21 ILE 61 1.783 4.294 1.180 495 HG22 ILE 61 HG22 ILE 61 1.349 3.488 -0.331 496 HG23 ILE 61 HG23 ILE 61 0.535 3.044 1.170 497 HD11 ILE 61 HD11 ILE 61 -0.189 4.441 -2.373 498 HD12 ILE 61 HD12 ILE 61 -1.598 3.384 -2.374 499 HD13 ILE 61 HD13 ILE 61 -0.113 2.865 -1.574 500 H ILE 62 HN ILE 62 0.832 4.400 3.329 501 HA ILE 62 HA ILE 62 2.441 6.740 4.046 502 HB ILE 62 HB ILE 62 2.103 4.045 5.398 503 HG12 ILE 62 HG12 ILE 62 1.323 5.317 7.396 504 HG13 ILE 62 HG11 ILE 62 1.260 6.782 6.410 505 HG21 ILE 62 HG21 ILE 62 4.390 4.749 5.625 506 HG22 ILE 62 HG22 ILE 62 3.584 4.848 7.191 507 HG23 ILE 62 HG23 ILE 62 3.885 6.318 6.264 508 HD11 ILE 62 HD11 ILE 62 -0.449 5.689 5.024 509 HD12 ILE 62 HD12 ILE 62 -0.938 5.792 6.721 510 HD13 ILE 62 HD13 ILE 62 -0.352 4.264 6.053 511 H TRP 63 HN TRP 63 4.207 6.756 2.888 512 HA TRP 63 HA TRP 63 5.092 4.348 1.581 513 HB2 TRP 63 HB2 TRP 63 5.747 7.256 1.139 514 HB3 TRP 63 HB1 TRP 63 6.532 5.935 0.274 515 HD1 TRP 63 HD1 TRP 63 3.324 7.949 0.341 516 HE1 TRP 63 HE1 TRP 63 1.801 7.152 -1.579 517 HE3 TRP 63 HE3 TRP 63 5.954 3.827 -1.093 518 HZ2 TRP 63 HZ2 TRP 63 1.747 5.035 -3.452 519 HZ3 TRP 63 HZ3 TRP 63 5.109 2.460 -2.951 520 HH2 TRP 63 HH2 TRP 63 3.061 3.037 -4.097 521 HA PRO 64 HA PRO 64 8.674 4.104 4.288 522 HB2 PRO 64 HB2 PRO 64 9.823 2.522 2.092 523 HB3 PRO 64 HB1 PRO 64 9.519 2.041 3.767 524 HG2 PRO 64 HG2 PRO 64 8.050 1.046 1.765 525 HG3 PRO 64 HG1 PRO 64 7.343 1.440 3.349 526 HD2 PRO 64 HD2 PRO 64 7.240 3.005 0.796 527 HD3 PRO 64 HD1 PRO 64 5.961 2.654 1.988 528 H LEU 65 HN LEU 65 9.952 5.688 4.368 529 HA LEU 65 HA LEU 65 11.419 7.269 3.968 530 HB2 LEU 65 HB2 LEU 65 12.606 5.535 2.546 531 HB3 LEU 65 HB1 LEU 65 11.777 6.173 1.154 532 HG LEU 65 HG LEU 65 14.161 6.893 1.335 533 HD11 LEU 65 HD11 LEU 65 13.840 9.274 0.897 534 HD12 LEU 65 HD12 LEU 65 12.190 9.154 1.515 535 HD13 LEU 65 HD13 LEU 65 12.648 8.280 0.056 536 HD21 LEU 65 HD21 LEU 65 14.304 7.013 3.755 537 HD22 LEU 65 HD22 LEU 65 13.201 8.386 3.762 538 HD23 LEU 65 HD23 LEU 65 14.797 8.542 3.021 539 H ASP 66 HN ASP 66 10.088 8.819 4.273 540 HA ASP 66 HA ASP 66 9.135 10.818 3.921 541 HB2 ASP 66 HB2 ASP 66 10.796 10.984 1.959 542 HB3 ASP 66 HB1 ASP 66 9.487 10.445 0.918 543 H LYS 67 HN LYS 67 7.208 11.691 2.099 544 HA LYS 67 HA LYS 67 5.193 9.556 2.146 545 HB2 LYS 67 HB2 LYS 67 3.504 10.980 3.099 546 HB3 LYS 67 HB1 LYS 67 4.885 10.930 4.171 547 HG2 LYS 67 HG2 LYS 67 4.221 13.155 4.249 548 HG3 LYS 67 HG1 LYS 67 5.529 13.168 3.058 549 HD2 LYS 67 HD2 LYS 67 3.932 13.089 1.264 550 HD3 LYS 67 HD1 LYS 67 2.600 12.979 2.402 551 HE2 LYS 67 HE2 LYS 67 3.161 15.206 3.281 552 HE3 LYS 67 HE1 LYS 67 4.482 15.328 2.118 553 HZ1 LYS 67 HZ1 LYS 67 2.829 15.228 0.320 554 HZ2 LYS 67 HZ2 LYS 67 2.510 16.501 1.363 555 HZ3 LYS 67 HZ3 LYS 67 1.592 15.112 1.455 556 H GLY 68 HN GLY 68 6.756 11.858 0.381 557 HA2 GLY 68 HA2 GLY 68 5.959 11.534 -2.051 558 HA3 GLY 68 HA1 GLY 68 4.476 12.248 -1.440 559 H LEU 69 HN LEU 69 7.292 13.533 0.052 560 HA LEU 69 HA LEU 69 6.994 16.044 -1.374 561 HB2 LEU 69 HB2 LEU 69 8.823 15.188 0.875 562 HB3 LEU 69 HB1 LEU 69 8.685 16.828 0.268 563 HG LEU 69 HG LEU 69 6.527 15.275 1.699 564 HD11 LEU 69 HD11 LEU 69 8.379 15.874 3.158 565 HD12 LEU 69 HD12 LEU 69 6.952 16.841 3.533 566 HD13 LEU 69 HD13 LEU 69 8.283 17.546 2.616 567 HD21 LEU 69 HD21 LEU 69 5.362 17.428 1.781 568 HD22 LEU 69 HD22 LEU 69 5.598 16.878 0.123 569 HD23 LEU 69 HD23 LEU 69 6.628 18.147 0.792 570 H GLU 70 HN GLU 70 8.809 13.226 -1.296 571 HA GLU 70 HA GLU 70 11.258 13.822 -2.460 572 HB2 GLU 70 HB2 GLU 70 10.422 11.619 -1.508 573 HB3 GLU 70 HB1 GLU 70 9.472 11.413 -2.959 574 HG2 GLU 70 HG2 GLU 70 12.483 11.569 -2.891 575 HG3 GLU 70 HG1 GLU 70 11.565 10.074 -2.850 576 H HIS 71 HN HIS 71 11.233 15.272 -4.086 577 HA HIS 71 HA HIS 71 9.228 15.037 -6.121 578 HB2 HIS 71 HB2 HIS 71 9.820 17.189 -6.940 579 HB3 HIS 71 HB1 HIS 71 9.911 17.268 -5.203 580 HD1 HIS 71 HD1 HIS 71 11.434 18.832 -7.716 581 HD2 HIS 71 HD2 HIS 71 13.025 16.481 -4.706 582 HE1 HIS 71 HE1 HIS 71 13.820 19.578 -7.481 583 HE2 HIS 71 HE2 HIS 71 14.532 18.470 -5.364 584 H HIS 72 HN HIS 72 9.496 14.572 -8.211 585 HA HIS 72 HA HIS 72 11.526 12.613 -8.564 586 HB2 HIS 72 HB2 HIS 72 9.194 13.329 -10.307 587 HB3 HIS 72 HB1 HIS 72 10.335 12.034 -10.676 588 HD1 HIS 72 HD1 HIS 72 7.430 12.838 -8.568 589 HD2 HIS 72 HD2 HIS 72 10.367 9.917 -8.760 590 HE1 HIS 72 HE1 HIS 72 6.670 11.012 -7.021 591 HE2 HIS 72 HE2 HIS 72 8.725 9.559 -6.857 592 H HIS 73 HN HIS 73 11.846 15.706 -9.055 593 HA HIS 73 HA HIS 73 13.614 15.238 -11.287 594 HB2 HIS 73 HB2 HIS 73 12.579 17.761 -10.086 595 HB3 HIS 73 HB1 HIS 73 14.154 17.804 -10.874 596 HD1 HIS 73 HD1 HIS 73 13.878 18.621 -13.171 597 HD2 HIS 73 HD2 HIS 73 10.780 16.100 -12.081 598 HE1 HIS 73 HE1 HIS 73 12.519 18.313 -15.233 599 HE2 HIS 73 HE2 HIS 73 10.926 16.505 -14.624 600 H HIS 74 HN HIS 74 13.979 14.082 -8.633 601 HA HIS 74 HA HIS 74 16.515 15.080 -7.774 602 HB2 HIS 74 HB2 HIS 74 15.055 12.480 -7.276 603 HB3 HIS 74 HB1 HIS 74 16.765 12.599 -6.896 604 HD1 HIS 74 HD1 HIS 74 13.591 12.916 -5.307 605 HD2 HIS 74 HD2 HIS 74 17.189 14.997 -5.107 606 HE1 HIS 74 HE1 HIS 74 13.558 14.104 -3.129 607 HE2 HIS 74 HE2 HIS 74 15.916 14.909 -2.891 608 H HIS 75 HN HIS 75 15.343 12.801 -10.110 609 HA HIS 75 HA HIS 75 18.021 12.423 -11.124 610 HB2 HIS 75 HB2 HIS 75 15.361 11.417 -12.175 611 HB3 HIS 75 HB1 HIS 75 16.881 11.179 -13.021 612 HD1 HIS 75 HD1 HIS 75 18.755 9.891 -11.384 613 HD2 HIS 75 HD2 HIS 75 14.719 9.360 -10.571 614 HE1 HIS 75 HE1 HIS 75 18.599 7.793 -10.022 615 HE2 HIS 75 HE2 HIS 75 16.215 7.839 -9.209 616 H HIS 76 HN HIS 76 18.332 14.574 -11.297 617 HA HIS 76 HA HIS 76 16.916 15.954 -13.398 618 HB2 HIS 76 HB2 HIS 76 18.357 17.948 -12.736 619 HB3 HIS 76 HB1 HIS 76 17.213 17.394 -11.532 620 HD1 HIS 76 HD1 HIS 76 20.937 17.556 -12.214 621 HD2 HIS 76 HD2 HIS 76 18.327 16.535 -9.148 622 HE1 HIS 76 HE1 HIS 76 22.343 17.366 -10.170 623 HE2 HIS 76 HE2 HIS 76 20.787 16.310 -8.513 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 10.472 1.284 -22.193 2 H2 GLU 1 HT2 GLU 1 11.967 1.547 -22.871 3 H3 GLU 1 HT3 GLU 1 11.232 2.772 -21.962 4 HA GLU 1 HA GLU 1 12.997 1.724 -20.729 5 HB2 GLU 1 HB2 GLU 1 11.001 2.559 -19.519 6 HB3 GLU 1 HB1 GLU 1 10.237 0.989 -19.716 7 HG2 GLU 1 HG2 GLU 1 11.151 1.284 -17.477 8 HG3 GLU 1 HG1 GLU 1 11.946 -0.037 -18.330 9 H ASP 2 HN ASP 2 14.081 -0.063 -20.151 10 HA ASP 2 HA ASP 2 13.338 -2.524 -21.546 11 HB2 ASP 2 HB2 ASP 2 15.839 -1.785 -20.015 12 HB3 ASP 2 HB1 ASP 2 15.569 -3.369 -20.708 13 H MET 3 HN MET 3 14.512 -1.691 -18.347 14 HA MET 3 HA MET 3 12.840 -3.835 -17.247 15 HB2 MET 3 HB2 MET 3 15.251 -4.233 -16.913 16 HB3 MET 3 HB1 MET 3 15.412 -2.646 -16.172 17 HG2 MET 3 HG2 MET 3 13.852 -3.387 -14.377 18 HG3 MET 3 HG1 MET 3 13.862 -4.994 -15.088 19 HE1 MET 3 HE1 MET 3 16.929 -5.286 -16.017 20 HE2 MET 3 HE2 MET 3 16.025 -6.559 -15.195 21 HE3 MET 3 HE3 MET 3 17.612 -6.079 -14.597 22 H GLU 4 HN GLU 4 11.057 -2.844 -16.527 23 HA GLU 4 HA GLU 4 11.151 -0.144 -15.564 24 HB2 GLU 4 HB2 GLU 4 8.920 -2.179 -15.383 25 HB3 GLU 4 HB1 GLU 4 8.776 -0.474 -15.005 26 HG2 GLU 4 HG2 GLU 4 9.317 0.031 -17.376 27 HG3 GLU 4 HG1 GLU 4 9.283 -1.703 -17.703 28 HA PRO 5 HA PRO 5 12.186 -1.463 -11.376 29 HB2 PRO 5 HB2 PRO 5 11.346 1.301 -10.698 30 HB3 PRO 5 HB1 PRO 5 12.889 0.508 -10.379 31 HG2 PRO 5 HG2 PRO 5 12.677 2.407 -12.243 32 HG3 PRO 5 HG1 PRO 5 13.733 0.996 -12.465 33 HD2 PRO 5 HD2 PRO 5 11.025 1.536 -13.630 34 HD3 PRO 5 HD1 PRO 5 12.472 0.824 -14.384 35 H CYS 6 HN CYS 6 10.502 -2.789 -10.977 36 HA CYS 6 HA CYS 6 7.828 -1.882 -11.096 37 HB2 CYS 6 HB2 CYS 6 8.890 -4.537 -10.162 38 HB3 CYS 6 HB1 CYS 6 7.210 -4.136 -10.534 39 HG CYS 6 HG CYS 6 9.533 -3.636 -12.949 40 H LEU 7 HN LEU 7 6.689 -1.072 -9.666 41 HA LEU 7 HA LEU 7 7.499 -0.763 -6.972 42 HB2 LEU 7 HB2 LEU 7 5.052 0.169 -6.827 43 HB3 LEU 7 HB1 LEU 7 6.316 1.071 -7.626 44 HG LEU 7 HG LEU 7 5.463 0.317 -9.822 45 HD11 LEU 7 HD11 LEU 7 4.461 -1.799 -9.246 46 HD12 LEU 7 HD12 LEU 7 3.279 -0.760 -10.035 47 HD13 LEU 7 HD13 LEU 7 3.226 -0.992 -8.284 48 HD21 LEU 7 HD21 LEU 7 3.406 1.615 -8.059 49 HD22 LEU 7 HD22 LEU 7 3.433 1.668 -9.822 50 HD23 LEU 7 HD23 LEU 7 4.729 2.427 -8.899 51 H THR 8 HN THR 8 5.819 -3.187 -8.658 52 HA THR 8 HA THR 8 4.162 -4.228 -6.702 53 HB THR 8 HB THR 8 5.756 -5.743 -8.763 54 HG1 THR 8 HG1 THR 8 3.220 -4.782 -9.417 55 HG21 THR 8 HG21 THR 8 2.977 -6.106 -7.641 56 HG22 THR 8 HG22 THR 8 4.383 -7.090 -7.212 57 HG23 THR 8 HG23 THR 8 3.726 -7.148 -8.853 58 H GLY 9 HN GLY 9 4.818 -4.849 -4.754 59 HA2 GLY 9 HA2 GLY 9 6.136 -6.575 -3.544 60 HA3 GLY 9 HA1 GLY 9 7.524 -6.004 -4.468 61 H THR 10 HN THR 10 6.581 -3.191 -4.183 62 HA THR 10 HA THR 10 8.023 -2.492 -1.901 63 HB THR 10 HB THR 10 5.978 -1.000 -3.481 64 HG1 THR 10 HG1 THR 10 7.957 -0.091 -4.467 65 HG21 THR 10 HG21 THR 10 7.079 1.073 -2.645 66 HG22 THR 10 HG22 THR 10 8.048 0.079 -1.552 67 HG23 THR 10 HG23 THR 10 6.287 0.140 -1.381 68 H LYS 11 HN LYS 11 7.459 -2.486 0.052 69 HA LYS 11 HA LYS 11 4.671 -2.955 0.729 70 HB2 LYS 11 HB2 LYS 11 5.432 -3.795 2.993 71 HB3 LYS 11 HB1 LYS 11 5.830 -4.816 1.640 72 HG2 LYS 11 HG2 LYS 11 7.801 -2.903 2.894 73 HG3 LYS 11 HG1 LYS 11 7.577 -4.544 3.486 74 HD2 LYS 11 HD2 LYS 11 8.475 -3.781 0.678 75 HD3 LYS 11 HD1 LYS 11 9.515 -4.335 1.977 76 HE2 LYS 11 HE2 LYS 11 8.498 -6.487 1.981 77 HE3 LYS 11 HE1 LYS 11 7.224 -5.957 0.889 78 HZ1 LYS 11 HZ1 LYS 11 8.894 -7.229 -0.263 79 HZ2 LYS 11 HZ2 LYS 11 10.109 -6.125 0.152 80 HZ3 LYS 11 HZ3 LYS 11 8.830 -5.659 -0.839 81 H VAL 12 HN VAL 12 3.528 -1.643 1.705 82 HA VAL 12 HA VAL 12 4.734 0.766 2.837 83 HB VAL 12 HB VAL 12 2.913 2.058 1.756 84 HG11 VAL 12 HG11 VAL 12 3.859 2.063 -0.495 85 HG12 VAL 12 HG12 VAL 12 4.630 0.513 -0.170 86 HG13 VAL 12 HG13 VAL 12 5.136 1.951 0.721 87 HG21 VAL 12 HG21 VAL 12 1.634 1.047 -0.082 88 HG22 VAL 12 HG22 VAL 12 1.312 0.227 1.446 89 HG23 VAL 12 HG23 VAL 12 2.382 -0.514 0.258 90 H LYS 13 HN LYS 13 2.788 2.061 3.739 91 HA LYS 13 HA LYS 13 1.166 0.323 5.464 92 HB2 LYS 13 HB2 LYS 13 3.005 2.422 5.908 93 HB3 LYS 13 HB1 LYS 13 1.404 3.081 6.176 94 HG2 LYS 13 HG2 LYS 13 2.367 0.595 7.502 95 HG3 LYS 13 HG1 LYS 13 2.626 2.218 8.189 96 HD2 LYS 13 HD2 LYS 13 0.078 2.415 7.926 97 HD3 LYS 13 HD1 LYS 13 0.112 0.653 7.776 98 HE2 LYS 13 HE2 LYS 13 1.280 2.249 10.036 99 HE3 LYS 13 HE1 LYS 13 -0.258 1.403 10.095 100 HZ1 LYS 13 HZ1 LYS 13 0.835 -0.667 9.931 101 HZ2 LYS 13 HZ2 LYS 13 1.631 0.200 11.131 102 HZ3 LYS 13 HZ3 LYS 13 2.345 -0.003 9.624 103 H VAL 14 HN VAL 14 -1.123 0.857 5.385 104 HA VAL 14 HA VAL 14 -1.897 2.959 3.479 105 HB VAL 14 HB VAL 14 -2.960 0.106 3.555 106 HG11 VAL 14 HG11 VAL 14 -4.336 0.741 1.642 107 HG12 VAL 14 HG12 VAL 14 -3.800 2.416 1.825 108 HG13 VAL 14 HG13 VAL 14 -4.754 1.652 3.092 109 HG21 VAL 14 HG21 VAL 14 -2.041 -0.109 1.317 110 HG22 VAL 14 HG22 VAL 14 -0.772 0.331 2.456 111 HG23 VAL 14 HG23 VAL 14 -1.444 1.549 1.374 112 H LYS 15 HN LYS 15 -3.697 4.116 4.065 113 HA LYS 15 HA LYS 15 -5.102 3.334 6.546 114 HB2 LYS 15 HB2 LYS 15 -5.001 6.029 5.167 115 HB3 LYS 15 HB1 LYS 15 -5.772 5.679 6.707 116 HG2 LYS 15 HG2 LYS 15 -3.574 5.169 7.664 117 HG3 LYS 15 HG1 LYS 15 -2.855 5.566 6.094 118 HD2 LYS 15 HD2 LYS 15 -3.689 7.848 6.270 119 HD3 LYS 15 HD1 LYS 15 -4.466 7.462 7.805 120 HE2 LYS 15 HE2 LYS 15 -2.214 6.915 8.737 121 HE3 LYS 15 HE1 LYS 15 -1.507 7.450 7.217 122 HZ1 LYS 15 HZ1 LYS 15 -3.062 9.135 9.087 123 HZ2 LYS 15 HZ2 LYS 15 -2.410 9.660 7.625 124 HZ3 LYS 15 HZ3 LYS 15 -1.395 9.162 8.869 125 H TYR 16 HN TYR 16 -7.387 3.119 6.414 126 HA TYR 16 HA TYR 16 -8.738 4.123 4.068 127 HB2 TYR 16 HB2 TYR 16 -7.725 1.832 3.500 128 HB3 TYR 16 HB1 TYR 16 -8.946 1.180 4.585 129 HD1 TYR 16 HD2 TYR 16 -11.414 1.943 4.072 130 HD2 TYR 16 HD1 TYR 16 -8.201 2.134 1.367 131 HE1 TYR 16 HE2 TYR 16 -13.038 2.042 2.221 132 HE2 TYR 16 HE1 TYR 16 -9.789 2.251 -0.541 133 HH TYR 16 HH TYR 16 -12.087 1.629 -1.005 134 H GLY 17 HN GLY 17 -10.433 5.080 5.040 135 HA2 GLY 17 HA2 GLY 17 -12.479 3.457 5.964 136 HA3 GLY 17 HA1 GLY 17 -11.733 4.210 7.352 137 H ARG 18 HN ARG 18 -14.285 4.749 6.856 138 HA ARG 18 HA ARG 18 -14.042 7.540 6.063 139 HB2 ARG 18 HB2 ARG 18 -16.469 7.515 5.534 140 HB3 ARG 18 HB1 ARG 18 -15.596 6.372 4.538 141 HG2 ARG 18 HG2 ARG 18 -16.405 4.516 5.927 142 HG3 ARG 18 HG1 ARG 18 -17.226 5.656 6.980 143 HD2 ARG 18 HD2 ARG 18 -18.793 4.664 5.437 144 HD3 ARG 18 HD1 ARG 18 -18.609 6.380 5.093 145 HE ARG 18 HE ARG 18 -17.035 4.448 3.581 146 HH11 ARG 18 HH11 ARG 18 -19.656 6.830 3.642 147 HH12 ARG 18 HH12 ARG 18 -19.786 6.895 1.941 148 HH21 ARG 18 HH21 ARG 18 -17.221 4.594 1.280 149 HH22 ARG 18 HH22 ARG 18 -18.364 5.632 0.570 150 H GLY 19 HN GLY 19 -13.688 8.549 7.895 151 HA2 GLY 19 HA2 GLY 19 -13.895 9.278 10.044 152 HA3 GLY 19 HA1 GLY 19 -15.571 8.768 9.934 153 H LYS 20 HN LYS 20 -16.164 6.814 10.741 154 HA LYS 20 HA LYS 20 -14.617 5.903 12.946 155 HB2 LYS 20 HB2 LYS 20 -17.046 6.205 13.099 156 HB3 LYS 20 HB1 LYS 20 -17.284 4.926 11.921 157 HG2 LYS 20 HG2 LYS 20 -17.687 4.161 14.217 158 HG3 LYS 20 HG1 LYS 20 -16.338 3.302 13.461 159 HD2 LYS 20 HD2 LYS 20 -14.750 4.714 14.633 160 HD3 LYS 20 HD1 LYS 20 -16.068 5.652 15.338 161 HE2 LYS 20 HE2 LYS 20 -16.824 3.686 16.542 162 HE3 LYS 20 HE1 LYS 20 -15.571 2.718 15.772 163 HZ1 LYS 20 HZ1 LYS 20 -15.031 3.487 18.064 164 HZ2 LYS 20 HZ2 LYS 20 -14.929 5.084 17.445 165 HZ3 LYS 20 HZ3 LYS 20 -13.897 3.888 16.896 166 H THR 21 HN THR 21 -15.272 4.584 9.703 167 HA THR 21 HA THR 21 -14.369 1.939 10.461 168 HB THR 21 HB THR 21 -14.616 1.505 7.974 169 HG1 THR 21 HG1 THR 21 -15.464 3.059 6.741 170 HG21 THR 21 HG21 THR 21 -17.056 1.583 8.020 171 HG22 THR 21 HG22 THR 21 -16.995 2.689 9.386 172 HG23 THR 21 HG23 THR 21 -16.429 1.022 9.576 173 H GLN 22 HN GLN 22 -12.546 4.144 10.738 174 HA GLN 22 HA GLN 22 -10.509 4.037 8.682 175 HB2 GLN 22 HB2 GLN 22 -11.127 6.047 10.075 176 HB3 GLN 22 HB1 GLN 22 -10.417 5.220 11.445 177 HG2 GLN 22 HG2 GLN 22 -8.855 6.804 10.575 178 HG3 GLN 22 HG1 GLN 22 -8.256 5.176 10.248 179 HE21 GLN 22 HE21 GLN 22 -6.950 6.014 8.620 180 HE22 GLN 22 HE22 GLN 22 -7.581 6.543 7.097 181 H LYS 23 HN LYS 23 -9.379 2.251 8.515 182 HA LYS 23 HA LYS 23 -8.003 1.416 10.931 183 HB2 LYS 23 HB2 LYS 23 -7.950 -0.965 10.196 184 HB3 LYS 23 HB1 LYS 23 -9.603 -0.425 10.417 185 HG2 LYS 23 HG2 LYS 23 -8.297 -0.525 7.744 186 HG3 LYS 23 HG1 LYS 23 -9.111 -1.914 8.467 187 HD2 LYS 23 HD2 LYS 23 -11.146 -0.596 8.666 188 HD3 LYS 23 HD1 LYS 23 -10.334 0.780 7.924 189 HE2 LYS 23 HE2 LYS 23 -9.916 -0.602 5.940 190 HE3 LYS 23 HE1 LYS 23 -10.841 -1.895 6.716 191 HZ1 LYS 23 HZ1 LYS 23 -12.785 -0.539 6.703 192 HZ2 LYS 23 HZ2 LYS 23 -12.176 -0.525 5.119 193 HZ3 LYS 23 HZ3 LYS 23 -11.927 0.794 6.152 194 H ILE 24 HN ILE 24 -5.870 0.769 10.618 195 HA ILE 24 HA ILE 24 -4.816 1.727 8.073 196 HB ILE 24 HB ILE 24 -3.410 1.986 10.771 197 HG12 ILE 24 HG12 ILE 24 -3.738 4.531 10.359 198 HG13 ILE 24 HG11 ILE 24 -4.997 4.064 9.232 199 HG21 ILE 24 HG21 ILE 24 -1.852 3.433 9.564 200 HG22 ILE 24 HG22 ILE 24 -2.758 3.153 8.075 201 HG23 ILE 24 HG23 ILE 24 -1.928 1.818 8.864 202 HD11 ILE 24 HD11 ILE 24 -5.945 4.696 11.382 203 HD12 ILE 24 HD12 ILE 24 -4.955 3.488 12.199 204 HD13 ILE 24 HD13 ILE 24 -6.217 2.980 11.080 205 H TYR 25 HN TYR 25 -3.880 0.167 7.013 206 HA TYR 25 HA TYR 25 -2.773 -2.087 8.487 207 HB2 TYR 25 HB2 TYR 25 -3.520 -3.382 6.224 208 HB3 TYR 25 HB1 TYR 25 -4.433 -3.367 7.713 209 HD1 TYR 25 HD2 TYR 25 -4.276 -0.719 4.986 210 HD2 TYR 25 HD1 TYR 25 -6.585 -3.637 7.065 211 HE1 TYR 25 HE2 TYR 25 -6.348 -0.005 3.748 212 HE2 TYR 25 HE1 TYR 25 -8.585 -2.939 5.857 213 HH TYR 25 HH TYR 25 -8.590 -1.090 3.113 214 H GLU 26 HN GLU 26 -1.295 -3.481 7.133 215 HA GLU 26 HA GLU 26 0.311 -1.648 5.527 216 HB2 GLU 26 HB2 GLU 26 1.240 -4.179 6.894 217 HB3 GLU 26 HB1 GLU 26 2.240 -2.964 6.105 218 HG2 GLU 26 HG2 GLU 26 1.297 -1.322 7.795 219 HG3 GLU 26 HG1 GLU 26 0.710 -2.732 8.662 220 H ALA 27 HN ALA 27 1.065 -2.384 3.511 221 HA ALA 27 HA ALA 27 0.146 -4.939 2.526 222 HB1 ALA 27 HB1 ALA 27 -0.903 -2.347 1.391 223 HB2 ALA 27 HB2 ALA 27 -1.845 -3.518 2.309 224 HB3 ALA 27 HB3 ALA 27 -1.186 -3.958 0.731 225 H SER 28 HN SER 28 0.758 -5.056 0.129 226 HA SER 28 HA SER 28 3.057 -3.356 -0.366 227 HB2 SER 28 HB2 SER 28 4.062 -5.324 -1.567 228 HB3 SER 28 HB1 SER 28 3.900 -5.555 0.172 229 HG SER 28 HG SER 28 2.280 -6.993 -0.151 230 H ILE 29 HN ILE 29 3.352 -2.713 -2.499 231 HA ILE 29 HA ILE 29 0.953 -2.208 -3.895 232 HB ILE 29 HB ILE 29 3.726 -2.001 -5.080 233 HG12 ILE 29 HG12 ILE 29 3.844 -0.878 -2.919 234 HG13 ILE 29 HG11 ILE 29 3.834 0.316 -4.207 235 HG21 ILE 29 HG21 ILE 29 1.918 -1.657 -6.637 236 HG22 ILE 29 HG22 ILE 29 2.756 -0.127 -6.339 237 HG23 ILE 29 HG23 ILE 29 1.200 -0.444 -5.577 238 HD11 ILE 29 HD11 ILE 29 2.510 1.035 -2.356 239 HD12 ILE 29 HD12 ILE 29 1.547 -0.442 -2.415 240 HD13 ILE 29 HD13 ILE 29 1.443 0.734 -3.738 241 H LYS 30 HN LYS 30 -0.017 -3.313 -5.451 242 HA LYS 30 HA LYS 30 1.248 -5.741 -6.500 243 HB2 LYS 30 HB2 LYS 30 -1.126 -5.595 -5.300 244 HB3 LYS 30 HB1 LYS 30 -1.658 -4.991 -6.850 245 HG2 LYS 30 HG2 LYS 30 -0.311 -7.671 -6.484 246 HG3 LYS 30 HG1 LYS 30 -2.049 -7.447 -6.418 247 HD2 LYS 30 HD2 LYS 30 -0.338 -6.739 -8.803 248 HD3 LYS 30 HD1 LYS 30 -1.153 -8.286 -8.606 249 HE2 LYS 30 HE2 LYS 30 -2.484 -5.576 -8.750 250 HE3 LYS 30 HE1 LYS 30 -2.425 -6.765 -10.044 251 HZ1 LYS 30 HZ1 LYS 30 -3.748 -8.289 -8.566 252 HZ2 LYS 30 HZ2 LYS 30 -4.528 -6.900 -8.999 253 HZ3 LYS 30 HZ3 LYS 30 -3.946 -7.024 -7.457 254 H SER 31 HN SER 31 -0.558 -2.792 -7.395 255 HA SER 31 HA SER 31 0.899 -2.425 -9.789 256 HB2 SER 31 HB2 SER 31 -0.689 -4.236 -10.527 257 HB3 SER 31 HB1 SER 31 -2.036 -3.195 -10.079 258 HG SER 31 HG SER 31 -0.803 -3.282 -12.379 259 H THR 32 HN THR 32 -0.601 -0.626 -11.093 260 HA THR 32 HA THR 32 -1.957 1.139 -9.287 261 HB THR 32 HB THR 32 0.343 1.961 -8.906 262 HG1 THR 32 HG1 THR 32 -1.383 3.450 -9.152 263 HG21 THR 32 HG21 THR 32 1.693 2.857 -10.718 264 HG22 THR 32 HG22 THR 32 0.494 2.321 -11.891 265 HG23 THR 32 HG23 THR 32 1.420 1.127 -10.970 266 H GLU 33 HN GLU 33 -2.735 3.002 -10.476 267 HA GLU 33 HA GLU 33 -2.897 3.021 -13.326 268 HB2 GLU 33 HB2 GLU 33 -5.293 2.106 -11.774 269 HB3 GLU 33 HB1 GLU 33 -5.471 3.049 -13.238 270 HG2 GLU 33 HG2 GLU 33 -4.242 1.313 -14.468 271 HG3 GLU 33 HG1 GLU 33 -4.180 0.346 -12.991 272 H ILE 34 HN ILE 34 -4.341 4.725 -14.077 273 HA ILE 34 HA ILE 34 -4.442 6.898 -12.145 274 HB ILE 34 HB ILE 34 -4.380 6.895 -15.159 275 HG12 ILE 34 HG12 ILE 34 -2.347 8.324 -14.957 276 HG13 ILE 34 HG11 ILE 34 -2.432 8.154 -13.218 277 HG21 ILE 34 HG21 ILE 34 -5.933 8.607 -14.488 278 HG22 ILE 34 HG22 ILE 34 -4.462 9.375 -15.097 279 HG23 ILE 34 HG23 ILE 34 -4.754 9.281 -13.361 280 HD11 ILE 34 HD11 ILE 34 -1.916 5.945 -15.213 281 HD12 ILE 34 HD12 ILE 34 -2.014 5.753 -13.465 282 HD13 ILE 34 HD13 ILE 34 -0.713 6.718 -14.169 283 H ASP 35 HN ASP 35 -6.339 7.244 -11.487 284 HA ASP 35 HA ASP 35 -8.675 6.619 -13.144 285 HB2 ASP 35 HB2 ASP 35 -8.431 4.758 -11.556 286 HB3 ASP 35 HB1 ASP 35 -8.367 5.901 -10.223 287 H ASP 36 HN ASP 36 -9.623 8.362 -13.497 288 HA ASP 36 HA ASP 36 -10.714 10.298 -13.319 289 HB2 ASP 36 HB2 ASP 36 -11.689 9.192 -11.233 290 HB3 ASP 36 HB1 ASP 36 -10.487 10.076 -10.303 291 H GLY 37 HN GLY 37 -7.798 10.038 -13.296 292 HA2 GLY 37 HA2 GLY 37 -6.395 11.861 -13.913 293 HA3 GLY 37 HA1 GLY 37 -7.277 12.876 -12.785 294 H GLU 38 HN GLU 38 -6.953 10.451 -10.857 295 HA GLU 38 HA GLU 38 -4.274 11.274 -10.051 296 HB2 GLU 38 HB2 GLU 38 -4.996 10.655 -7.723 297 HB3 GLU 38 HB1 GLU 38 -5.783 12.056 -8.417 298 HG2 GLU 38 HG2 GLU 38 -7.700 10.452 -9.021 299 HG3 GLU 38 HG1 GLU 38 -6.886 9.323 -7.927 300 H VAL 39 HN VAL 39 -3.034 9.696 -8.816 301 HA VAL 39 HA VAL 39 -3.216 7.150 -10.230 302 HB VAL 39 HB VAL 39 -0.889 8.320 -8.686 303 HG11 VAL 39 HG11 VAL 39 -0.826 5.842 -8.737 304 HG12 VAL 39 HG12 VAL 39 0.444 6.503 -9.745 305 HG13 VAL 39 HG13 VAL 39 -1.016 5.871 -10.475 306 HG21 VAL 39 HG21 VAL 39 -1.308 8.067 -11.642 307 HG22 VAL 39 HG22 VAL 39 0.138 8.719 -10.863 308 HG23 VAL 39 HG23 VAL 39 -1.407 9.573 -10.734 309 H LEU 40 HN LEU 40 -4.041 5.567 -9.203 310 HA LEU 40 HA LEU 40 -3.720 5.478 -6.319 311 HB2 LEU 40 HB2 LEU 40 -5.896 4.262 -7.980 312 HB3 LEU 40 HB1 LEU 40 -5.607 3.843 -6.309 313 HG LEU 40 HG LEU 40 -5.951 6.442 -5.953 314 HD11 LEU 40 HD11 LEU 40 -6.055 7.073 -8.207 315 HD12 LEU 40 HD12 LEU 40 -7.650 7.306 -7.449 316 HD13 LEU 40 HD13 LEU 40 -7.348 5.912 -8.496 317 HD21 LEU 40 HD21 LEU 40 -7.234 4.672 -4.967 318 HD22 LEU 40 HD22 LEU 40 -8.152 4.466 -6.460 319 HD23 LEU 40 HD23 LEU 40 -8.307 5.963 -5.525 320 H TYR 41 HN TYR 41 -3.458 3.475 -5.456 321 HA TYR 41 HA TYR 41 -1.955 1.755 -7.261 322 HB2 TYR 41 HB2 TYR 41 -1.400 2.414 -4.364 323 HB3 TYR 41 HB1 TYR 41 -0.511 1.233 -5.321 324 HD1 TYR 41 HD1 TYR 41 -1.198 4.847 -4.881 325 HD2 TYR 41 HD2 TYR 41 1.129 1.926 -6.920 326 HE1 TYR 41 HE1 TYR 41 0.277 6.589 -5.654 327 HE2 TYR 41 HE2 TYR 41 2.637 3.703 -7.718 328 HH TYR 41 HH TYR 41 2.660 6.779 -6.435 329 H LEU 42 HN LEU 42 -2.103 -0.364 -6.864 330 HA LEU 42 HA LEU 42 -4.470 -1.178 -5.362 331 HB2 LEU 42 HB2 LEU 42 -4.558 -1.630 -7.754 332 HB3 LEU 42 HB1 LEU 42 -2.986 -2.391 -7.696 333 HG LEU 42 HG LEU 42 -3.893 -4.279 -6.472 334 HD11 LEU 42 HD11 LEU 42 -6.280 -4.449 -6.018 335 HD12 LEU 42 HD12 LEU 42 -6.516 -2.797 -6.599 336 HD13 LEU 42 HD13 LEU 42 -5.569 -3.095 -5.144 337 HD21 LEU 42 HD21 LEU 42 -5.330 -5.167 -8.182 338 HD22 LEU 42 HD22 LEU 42 -4.039 -4.217 -8.934 339 HD23 LEU 42 HD23 LEU 42 -5.661 -3.548 -8.785 340 H VAL 43 HN VAL 43 -3.960 -2.097 -3.549 341 HA VAL 43 HA VAL 43 -1.238 -3.155 -3.247 342 HB VAL 43 HB VAL 43 -1.255 -2.358 -0.935 343 HG11 VAL 43 HG11 VAL 43 -1.132 0.030 -1.323 344 HG12 VAL 43 HG12 VAL 43 -2.005 -0.165 -2.841 345 HG13 VAL 43 HG13 VAL 43 -0.403 -0.873 -2.655 346 HG21 VAL 43 HG21 VAL 43 -3.988 -1.230 -1.587 347 HG22 VAL 43 HG22 VAL 43 -3.081 -0.855 -0.136 348 HG23 VAL 43 HG23 VAL 43 -3.643 -2.505 -0.420 349 H HIS 44 HN HIS 44 -0.979 -4.958 -2.096 350 HA HIS 44 HA HIS 44 -3.414 -6.367 -1.310 351 HB2 HIS 44 HB2 HIS 44 -2.370 -8.546 -1.913 352 HB3 HIS 44 HB1 HIS 44 -2.522 -7.507 -3.310 353 HD1 HIS 44 HD1 HIS 44 -0.253 -9.866 -1.944 354 HD2 HIS 44 HD2 HIS 44 0.227 -6.145 -3.748 355 HE1 HIS 44 HE1 HIS 44 2.060 -9.836 -2.810 356 HE2 HIS 44 HE2 HIS 44 2.335 -7.635 -3.953 357 H TYR 45 HN TYR 45 -3.503 -7.043 0.621 358 HA TYR 45 HA TYR 45 -1.855 -5.776 2.473 359 HB2 TYR 45 HB2 TYR 45 -3.920 -7.898 2.894 360 HB3 TYR 45 HB1 TYR 45 -3.267 -6.838 4.156 361 HD1 TYR 45 HD1 TYR 45 -3.473 -4.263 3.586 362 HD2 TYR 45 HD2 TYR 45 -5.874 -7.317 1.871 363 HE1 TYR 45 HE1 TYR 45 -5.172 -2.593 3.013 364 HE2 TYR 45 HE2 TYR 45 -7.588 -5.653 1.290 365 HH TYR 45 HH TYR 45 -7.060 -2.328 1.381 366 H TYR 46 HN TYR 46 -0.426 -6.461 3.940 367 HA TYR 46 HA TYR 46 1.097 -8.771 3.083 368 HB2 TYR 46 HB2 TYR 46 2.074 -6.450 3.483 369 HB3 TYR 46 HB1 TYR 46 1.795 -6.722 5.190 370 HD1 TYR 46 HD1 TYR 46 3.786 -7.680 2.275 371 HD2 TYR 46 HD2 TYR 46 3.229 -8.240 6.455 372 HE1 TYR 46 HE1 TYR 46 5.999 -8.730 2.419 373 HE2 TYR 46 HE2 TYR 46 5.442 -9.304 6.608 374 HH TYR 46 HH TYR 46 7.078 -10.361 5.262 375 H GLY 47 HN GLY 47 0.290 -10.599 3.925 376 HA2 GLY 47 HA2 GLY 47 0.174 -12.197 5.621 377 HA3 GLY 47 HA1 GLY 47 0.360 -10.915 6.810 378 H TRP 48 HN TRP 48 -1.991 -10.625 4.324 379 HA TRP 48 HA TRP 48 -4.138 -11.430 6.153 380 HB2 TRP 48 HB2 TRP 48 -4.075 -8.831 4.592 381 HB3 TRP 48 HB1 TRP 48 -5.464 -9.432 5.484 382 HD1 TRP 48 HD1 TRP 48 -2.082 -7.762 5.970 383 HE1 TRP 48 HE1 TRP 48 -1.890 -6.935 8.379 384 HE3 TRP 48 HE3 TRP 48 -6.315 -9.884 7.876 385 HZ2 TRP 48 HZ2 TRP 48 -3.343 -7.146 10.792 386 HZ3 TRP 48 HZ3 TRP 48 -6.846 -9.510 10.251 387 HH2 TRP 48 HH2 TRP 48 -5.393 -8.173 11.675 388 H ASN 49 HN ASN 49 -6.275 -10.753 4.467 389 HA ASN 49 HA ASN 49 -6.315 -12.976 2.763 390 HB2 ASN 49 HB2 ASN 49 -8.366 -12.086 3.711 391 HB3 ASN 49 HB1 ASN 49 -8.130 -10.560 2.874 392 HD21 ASN 49 HD21 ASN 49 -8.927 -13.904 2.513 393 HD22 ASN 49 HD22 ASN 49 -9.681 -13.813 0.984 394 H VAL 50 HN VAL 50 -5.648 -13.283 0.789 395 HA VAL 50 HA VAL 50 -4.305 -11.124 -0.592 396 HB VAL 50 HB VAL 50 -4.464 -14.093 -1.191 397 HG11 VAL 50 HG11 VAL 50 -2.602 -13.720 -2.759 398 HG12 VAL 50 HG12 VAL 50 -2.769 -11.978 -2.512 399 HG13 VAL 50 HG13 VAL 50 -4.076 -12.892 -3.261 400 HG21 VAL 50 HG21 VAL 50 -2.132 -14.127 -0.417 401 HG22 VAL 50 HG22 VAL 50 -3.245 -13.601 0.845 402 HG23 VAL 50 HG23 VAL 50 -2.260 -12.417 -0.017 403 H ARG 51 HN ARG 51 -7.161 -13.040 -0.859 404 HA ARG 51 HA ARG 51 -7.872 -12.869 -3.514 405 HB2 ARG 51 HB2 ARG 51 -9.172 -14.162 -1.964 406 HB3 ARG 51 HB1 ARG 51 -9.640 -12.723 -1.079 407 HG2 ARG 51 HG2 ARG 51 -10.832 -11.922 -3.130 408 HG3 ARG 51 HG1 ARG 51 -10.486 -13.486 -3.869 409 HD2 ARG 51 HD2 ARG 51 -11.769 -14.625 -2.189 410 HD3 ARG 51 HD1 ARG 51 -11.971 -13.132 -1.273 411 HE ARG 51 HE ARG 51 -12.986 -13.158 -3.984 412 HH11 ARG 51 HH11 ARG 51 -13.743 -13.608 -0.554 413 HH12 ARG 51 HH12 ARG 51 -15.397 -13.235 -0.714 414 HH21 ARG 51 HH21 ARG 51 -15.294 -12.652 -4.204 415 HH22 ARG 51 HH22 ARG 51 -16.301 -12.669 -2.836 416 H TYR 52 HN TYR 52 -8.662 -10.522 -0.997 417 HA TYR 52 HA TYR 52 -9.518 -8.745 -3.138 418 HB2 TYR 52 HB2 TYR 52 -11.271 -9.225 -1.528 419 HB3 TYR 52 HB1 TYR 52 -10.246 -8.674 -0.211 420 HD1 TYR 52 HD2 TYR 52 -11.596 -7.397 -3.465 421 HD2 TYR 52 HD1 TYR 52 -10.601 -6.529 0.577 422 HE1 TYR 52 HE2 TYR 52 -12.486 -5.121 -3.738 423 HE2 TYR 52 HE1 TYR 52 -11.487 -4.254 0.307 424 HH TYR 52 HH TYR 52 -11.992 -2.675 -1.341 425 H ASP 53 HN ASP 53 -7.802 -7.722 -3.789 426 HA ASP 53 HA ASP 53 -6.305 -6.197 -1.849 427 HB2 ASP 53 HB2 ASP 53 -4.677 -5.777 -3.766 428 HB3 ASP 53 HB1 ASP 53 -4.795 -7.449 -3.266 429 H GLU 54 HN GLU 54 -6.079 -3.901 -2.154 430 HA GLU 54 HA GLU 54 -8.504 -2.826 -3.485 431 HB2 GLU 54 HB2 GLU 54 -8.962 -3.281 -1.088 432 HB3 GLU 54 HB1 GLU 54 -7.596 -2.281 -0.647 433 HG2 GLU 54 HG2 GLU 54 -8.698 -0.314 -1.180 434 HG3 GLU 54 HG1 GLU 54 -9.885 -1.141 -2.187 435 H TRP 55 HN TRP 55 -8.602 -0.576 -3.793 436 HA TRP 55 HA TRP 55 -6.028 0.422 -4.723 437 HB2 TRP 55 HB2 TRP 55 -8.861 1.132 -5.457 438 HB3 TRP 55 HB1 TRP 55 -7.440 1.949 -6.088 439 HD1 TRP 55 HD1 TRP 55 -9.192 -1.478 -6.189 440 HE1 TRP 55 HE1 TRP 55 -8.432 -2.676 -8.362 441 HE3 TRP 55 HE3 TRP 55 -5.633 1.836 -7.727 442 HZ2 TRP 55 HZ2 TRP 55 -6.536 -2.251 -10.424 443 HZ3 TRP 55 HZ3 TRP 55 -4.377 1.367 -9.780 444 HH2 TRP 55 HH2 TRP 55 -4.820 -0.632 -11.098 445 H VAL 56 HN VAL 56 -5.110 2.049 -3.827 446 HA VAL 56 HA VAL 56 -6.625 4.085 -2.388 447 HB VAL 56 HB VAL 56 -4.829 4.073 -0.571 448 HG11 VAL 56 HG11 VAL 56 -7.064 3.166 -0.159 449 HG12 VAL 56 HG12 VAL 56 -5.837 2.235 0.702 450 HG13 VAL 56 HG13 VAL 56 -6.549 1.595 -0.777 451 HG21 VAL 56 HG21 VAL 56 -3.555 2.001 -0.238 452 HG22 VAL 56 HG22 VAL 56 -3.167 2.747 -1.786 453 HG23 VAL 56 HG23 VAL 56 -4.233 1.348 -1.730 454 H LYS 57 HN LYS 57 -5.720 6.136 -2.580 455 HA LYS 57 HA LYS 57 -3.803 6.482 -4.677 456 HB2 LYS 57 HB2 LYS 57 -5.784 7.922 -4.354 457 HB3 LYS 57 HB1 LYS 57 -5.132 8.433 -2.813 458 HG2 LYS 57 HG2 LYS 57 -3.389 9.658 -3.850 459 HG3 LYS 57 HG1 LYS 57 -3.726 8.910 -5.418 460 HD2 LYS 57 HD2 LYS 57 -4.626 11.178 -5.337 461 HD3 LYS 57 HD1 LYS 57 -5.880 9.938 -5.470 462 HE2 LYS 57 HE2 LYS 57 -6.269 10.137 -3.029 463 HE3 LYS 57 HE1 LYS 57 -5.120 11.474 -2.996 464 HZ1 LYS 57 HZ1 LYS 57 -7.557 11.396 -4.669 465 HZ2 LYS 57 HZ2 LYS 57 -6.540 12.723 -4.462 466 HZ3 LYS 57 HZ3 LYS 57 -7.479 12.178 -3.175 467 H ALA 58 HN ALA 58 -1.890 7.975 -4.377 468 HA ALA 58 HA ALA 58 -0.033 6.881 -2.636 469 HB1 ALA 58 HB1 ALA 58 0.524 8.163 -4.688 470 HB2 ALA 58 HB2 ALA 58 1.474 8.627 -3.284 471 HB3 ALA 58 HB3 ALA 58 0.143 9.648 -3.815 472 H ASP 59 HN ASP 59 -2.125 9.602 -2.218 473 HA ASP 59 HA ASP 59 -1.051 10.827 0.116 474 HB2 ASP 59 HB2 ASP 59 -3.846 10.731 -1.000 475 HB3 ASP 59 HB1 ASP 59 -3.408 11.688 0.402 476 H ARG 60 HN ARG 60 -2.888 7.997 -0.373 477 HA ARG 60 HA ARG 60 -4.084 7.938 2.293 478 HB2 ARG 60 HB2 ARG 60 -5.248 7.535 0.072 479 HB3 ARG 60 HB1 ARG 60 -4.340 6.046 -0.027 480 HG2 ARG 60 HG2 ARG 60 -6.546 5.600 0.731 481 HG3 ARG 60 HG1 ARG 60 -5.414 5.306 2.051 482 HD2 ARG 60 HD2 ARG 60 -6.058 7.211 3.204 483 HD3 ARG 60 HD1 ARG 60 -6.746 7.969 1.764 484 HE ARG 60 HE ARG 60 -8.149 5.693 2.157 485 HH11 ARG 60 HH11 ARG 60 -7.520 8.559 4.133 486 HH12 ARG 60 HH12 ARG 60 -9.084 8.681 4.761 487 HH21 ARG 60 HH21 ARG 60 -10.351 5.869 2.950 488 HH22 ARG 60 HH22 ARG 60 -10.756 7.083 4.089 489 H ILE 61 HN ILE 61 -1.303 7.047 0.769 490 HA ILE 61 HA ILE 61 -0.911 4.569 2.265 491 HB ILE 61 HB ILE 61 0.523 5.664 -0.180 492 HG12 ILE 61 HG12 ILE 61 -1.440 3.380 0.073 493 HG13 ILE 61 HG11 ILE 61 -1.739 4.928 -0.708 494 HG21 ILE 61 HG21 ILE 61 1.619 3.500 -0.313 495 HG22 ILE 61 HG22 ILE 61 0.815 3.001 1.171 496 HG23 ILE 61 HG23 ILE 61 1.997 4.316 1.210 497 HD11 ILE 61 HD11 ILE 61 -0.036 4.400 -2.384 498 HD12 ILE 61 HD12 ILE 61 -1.309 3.180 -2.342 499 HD13 ILE 61 HD13 ILE 61 0.250 2.852 -1.587 500 H ILE 62 HN ILE 62 0.967 4.443 3.529 501 HA ILE 62 HA ILE 62 2.475 6.938 3.851 502 HB ILE 62 HB ILE 62 2.488 4.573 5.765 503 HG12 ILE 62 HG12 ILE 62 1.351 6.304 7.359 504 HG13 ILE 62 HG11 ILE 62 0.838 7.085 5.871 505 HG21 ILE 62 HG21 ILE 62 4.512 5.828 5.821 506 HG22 ILE 62 HG22 ILE 62 3.612 6.089 7.318 507 HG23 ILE 62 HG23 ILE 62 3.622 7.330 6.066 508 HD11 ILE 62 HD11 ILE 62 0.146 4.288 6.791 509 HD12 ILE 62 HD12 ILE 62 -0.297 4.946 5.220 510 HD13 ILE 62 HD13 ILE 62 -0.927 5.667 6.700 511 H TRP 63 HN TRP 63 4.091 6.819 2.554 512 HA TRP 63 HA TRP 63 5.259 4.316 1.822 513 HB2 TRP 63 HB2 TRP 63 5.974 7.160 1.038 514 HB3 TRP 63 HB1 TRP 63 6.703 5.716 0.343 515 HD1 TRP 63 HD1 TRP 63 3.404 7.673 0.373 516 HE1 TRP 63 HE1 TRP 63 1.957 6.907 -1.586 517 HE3 TRP 63 HE3 TRP 63 6.302 3.800 -1.277 518 HZ2 TRP 63 HZ2 TRP 63 2.035 4.901 -3.612 519 HZ3 TRP 63 HZ3 TRP 63 5.545 2.510 -3.233 520 HH2 TRP 63 HH2 TRP 63 3.466 3.034 -4.364 521 HA PRO 64 HA PRO 64 8.289 4.331 5.077 522 HB2 PRO 64 HB2 PRO 64 9.985 3.009 3.025 523 HB3 PRO 64 HB1 PRO 64 9.594 2.477 4.666 524 HG2 PRO 64 HG2 PRO 64 8.458 1.296 2.581 525 HG3 PRO 64 HG1 PRO 64 7.511 1.652 4.039 526 HD2 PRO 64 HD2 PRO 64 7.558 3.095 1.417 527 HD3 PRO 64 HD1 PRO 64 6.192 2.713 2.492 528 H LEU 65 HN LEU 65 9.368 5.974 5.613 529 HA LEU 65 HA LEU 65 11.495 7.178 4.260 530 HB2 LEU 65 HB2 LEU 65 9.410 7.825 2.845 531 HB3 LEU 65 HB1 LEU 65 8.851 8.660 4.270 532 HG LEU 65 HG LEU 65 11.468 9.430 2.997 533 HD11 LEU 65 HD11 LEU 65 9.758 9.411 1.250 534 HD12 LEU 65 HD12 LEU 65 10.212 11.064 1.674 535 HD13 LEU 65 HD13 LEU 65 8.694 10.374 2.273 536 HD21 LEU 65 HD21 LEU 65 10.919 11.590 3.981 537 HD22 LEU 65 HD22 LEU 65 10.870 10.322 5.214 538 HD23 LEU 65 HD23 LEU 65 9.369 10.949 4.538 539 H ASP 66 HN ASP 66 12.321 8.737 5.667 540 HA ASP 66 HA ASP 66 11.780 8.233 8.378 541 HB2 ASP 66 HB2 ASP 66 13.956 8.958 7.414 542 HB3 ASP 66 HB1 ASP 66 13.273 10.565 7.197 543 H LYS 67 HN LYS 67 9.906 8.757 9.156 544 HA LYS 67 HA LYS 67 8.543 11.134 8.232 545 HB2 LYS 67 HB2 LYS 67 7.420 8.990 8.120 546 HB3 LYS 67 HB1 LYS 67 7.582 8.808 9.856 547 HG2 LYS 67 HG2 LYS 67 6.011 10.464 10.291 548 HG3 LYS 67 HG1 LYS 67 6.111 11.110 8.657 549 HD2 LYS 67 HD2 LYS 67 4.038 9.927 8.855 550 HD3 LYS 67 HD1 LYS 67 5.142 9.029 7.818 551 HE2 LYS 67 HE2 LYS 67 4.721 8.353 10.743 552 HE3 LYS 67 HE1 LYS 67 3.739 7.652 9.468 553 HZ1 LYS 67 HZ1 LYS 67 6.670 7.279 9.874 554 HZ2 LYS 67 HZ2 LYS 67 5.854 6.737 8.512 555 HZ3 LYS 67 HZ3 LYS 67 5.458 6.131 10.027 556 H GLY 68 HN GLY 68 9.528 12.761 9.342 557 HA2 GLY 68 HA2 GLY 68 9.422 12.677 12.293 558 HA3 GLY 68 HA1 GLY 68 10.518 13.688 11.360 559 H LEU 69 HN LEU 69 7.993 14.040 9.579 560 HA LEU 69 HA LEU 69 6.379 15.435 9.166 561 HB2 LEU 69 HB2 LEU 69 6.106 15.254 12.069 562 HB3 LEU 69 HB1 LEU 69 5.044 16.365 11.197 563 HG LEU 69 HG LEU 69 3.793 14.402 11.596 564 HD11 LEU 69 HD11 LEU 69 3.521 15.186 9.340 565 HD12 LEU 69 HD12 LEU 69 3.332 13.441 9.441 566 HD13 LEU 69 HD13 LEU 69 4.820 14.121 8.791 567 HD21 LEU 69 HD21 LEU 69 4.563 12.127 11.089 568 HD22 LEU 69 HD22 LEU 69 5.585 12.923 12.289 569 HD23 LEU 69 HD23 LEU 69 6.135 12.777 10.622 570 H GLU 70 HN GLU 70 8.393 16.772 11.707 571 HA GLU 70 HA GLU 70 7.732 19.405 10.701 572 HB2 GLU 70 HB2 GLU 70 7.762 19.109 13.129 573 HB3 GLU 70 HB1 GLU 70 9.460 18.664 13.056 574 HG2 GLU 70 HG2 GLU 70 9.209 20.955 13.816 575 HG3 GLU 70 HG1 GLU 70 10.018 20.897 12.250 576 H HIS 71 HN HIS 71 8.660 19.564 8.802 577 HA HIS 71 HA HIS 71 11.569 19.841 8.812 578 HB2 HIS 71 HB2 HIS 71 9.683 19.156 6.538 579 HB3 HIS 71 HB1 HIS 71 11.273 19.823 6.223 580 HD1 HIS 71 HD1 HIS 71 11.927 17.589 4.993 581 HD2 HIS 71 HD2 HIS 71 11.015 17.129 9.016 582 HE1 HIS 71 HE1 HIS 71 12.784 15.335 5.626 583 HE2 HIS 71 HE2 HIS 71 12.345 15.139 8.087 584 H HIS 72 HN HIS 72 11.806 21.882 9.418 585 HA HIS 72 HA HIS 72 9.670 23.713 9.043 586 HB2 HIS 72 HB2 HIS 72 11.301 23.601 11.028 587 HB3 HIS 72 HB1 HIS 72 12.379 24.566 10.023 588 HD1 HIS 72 HD1 HIS 72 9.178 24.739 11.940 589 HD2 HIS 72 HD2 HIS 72 11.589 27.266 9.693 590 HE1 HIS 72 HE1 HIS 72 8.287 27.046 12.323 591 HE2 HIS 72 HE2 HIS 72 9.602 28.503 10.759 592 H HIS 73 HN HIS 73 12.607 23.165 7.273 593 HA HIS 73 HA HIS 73 12.263 25.633 5.792 594 HB2 HIS 73 HB2 HIS 73 14.103 23.275 5.325 595 HB3 HIS 73 HB1 HIS 73 13.890 24.522 4.113 596 HD1 HIS 73 HD1 HIS 73 14.930 26.840 4.607 597 HD2 HIS 73 HD2 HIS 73 15.647 23.971 7.526 598 HE1 HIS 73 HE1 HIS 73 16.687 27.820 6.081 599 HE2 HIS 73 HE2 HIS 73 17.203 26.036 7.769 600 H HIS 74 HN HIS 74 11.370 22.336 5.579 601 HA HIS 74 HA HIS 74 9.901 21.163 4.389 602 HB2 HIS 74 HB2 HIS 74 8.291 22.955 4.826 603 HB3 HIS 74 HB1 HIS 74 8.889 23.869 3.450 604 HD1 HIS 74 HD1 HIS 74 6.785 23.912 2.083 605 HD2 HIS 74 HD2 HIS 74 7.791 20.067 3.279 606 HE1 HIS 74 HE1 HIS 74 5.168 22.384 0.902 607 HE2 HIS 74 HE2 HIS 74 5.623 20.130 1.892 608 H HIS 75 HN HIS 75 11.172 23.731 2.369 609 HA HIS 75 HA HIS 75 11.454 21.927 0.111 610 HB2 HIS 75 HB2 HIS 75 10.871 24.404 -0.148 611 HB3 HIS 75 HB1 HIS 75 12.494 24.760 0.410 612 HD1 HIS 75 HD1 HIS 75 14.513 24.179 -1.266 613 HD2 HIS 75 HD2 HIS 75 10.685 23.552 -2.801 614 HE1 HIS 75 HE1 HIS 75 14.797 23.946 -3.725 615 HE2 HIS 75 HE2 HIS 75 12.564 23.144 -4.503 616 H HIS 76 HN HIS 76 13.544 21.303 -0.653 617 HA HIS 76 HA HIS 76 15.683 21.622 1.320 618 HB2 HIS 76 HB2 HIS 76 15.539 19.776 -1.100 619 HB3 HIS 76 HB1 HIS 76 16.873 19.844 0.036 620 HD1 HIS 76 HD1 HIS 76 16.443 18.827 2.425 621 HD2 HIS 76 HD2 HIS 76 13.367 18.249 -0.308 622 HE1 HIS 76 HE1 HIS 76 14.963 17.084 3.434 623 HE2 HIS 76 HE2 HIS 76 13.032 16.863 1.835 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 0.291 -7.673 -17.344 2 H2 GLU 1 HT2 GLU 1 0.160 -7.914 -15.666 3 H3 GLU 1 HT3 GLU 1 0.372 -9.229 -16.699 4 HA GLU 1 HA GLU 1 2.551 -8.529 -17.269 5 HB2 GLU 1 HB2 GLU 1 2.025 -6.323 -15.275 6 HB3 GLU 1 HB1 GLU 1 3.567 -6.652 -16.043 7 HG2 GLU 1 HG2 GLU 1 2.516 -6.155 -18.230 8 HG3 GLU 1 HG1 GLU 1 1.039 -5.729 -17.371 9 H ASP 2 HN ASP 2 3.470 -10.246 -16.386 10 HA ASP 2 HA ASP 2 2.990 -10.800 -13.590 11 HB2 ASP 2 HB2 ASP 2 2.920 -12.671 -15.193 12 HB3 ASP 2 HB1 ASP 2 4.581 -12.325 -15.657 13 H MET 3 HN MET 3 4.285 -10.239 -12.059 14 HA MET 3 HA MET 3 5.890 -9.234 -10.918 15 HB2 MET 3 HB2 MET 3 7.391 -11.071 -11.669 16 HB3 MET 3 HB1 MET 3 7.778 -10.150 -13.114 17 HG2 MET 3 HG2 MET 3 8.814 -8.411 -11.728 18 HG3 MET 3 HG1 MET 3 8.411 -9.324 -10.282 19 HE1 MET 3 HE1 MET 3 10.569 -9.201 -13.560 20 HE2 MET 3 HE2 MET 3 9.732 -10.743 -13.762 21 HE3 MET 3 HE3 MET 3 11.467 -10.712 -13.471 22 H GLU 4 HN GLU 4 4.912 -7.322 -11.165 23 HA GLU 4 HA GLU 4 5.528 -5.611 -13.362 24 HB2 GLU 4 HB2 GLU 4 3.949 -5.194 -10.834 25 HB3 GLU 4 HB1 GLU 4 4.145 -3.968 -12.077 26 HG2 GLU 4 HG2 GLU 4 3.011 -5.295 -13.679 27 HG3 GLU 4 HG1 GLU 4 2.990 -6.689 -12.601 28 HA PRO 5 HA PRO 5 9.144 -3.984 -11.196 29 HB2 PRO 5 HB2 PRO 5 9.405 -2.230 -13.534 30 HB3 PRO 5 HB1 PRO 5 10.509 -3.479 -12.956 31 HG2 PRO 5 HG2 PRO 5 9.108 -3.850 -15.203 32 HG3 PRO 5 HG1 PRO 5 9.357 -5.178 -14.053 33 HD2 PRO 5 HD2 PRO 5 6.965 -3.388 -14.351 34 HD3 PRO 5 HD1 PRO 5 7.062 -5.170 -14.307 35 H CYS 6 HN CYS 6 6.496 -2.095 -12.440 36 HA CYS 6 HA CYS 6 7.520 0.400 -11.511 37 HB2 CYS 6 HB2 CYS 6 4.797 -0.324 -12.495 38 HB3 CYS 6 HB1 CYS 6 5.383 1.313 -12.246 39 HG CYS 6 HG CYS 6 5.563 1.159 -14.925 40 H LEU 7 HN LEU 7 7.790 0.313 -9.323 41 HA LEU 7 HA LEU 7 7.255 0.817 -7.176 42 HB2 LEU 7 HB2 LEU 7 4.461 1.146 -8.258 43 HB3 LEU 7 HB1 LEU 7 4.963 1.632 -6.648 44 HG LEU 7 HG LEU 7 6.212 2.756 -9.161 45 HD11 LEU 7 HD11 LEU 7 4.834 4.706 -8.861 46 HD12 LEU 7 HD12 LEU 7 4.033 3.967 -7.479 47 HD13 LEU 7 HD13 LEU 7 3.814 3.285 -9.095 48 HD21 LEU 7 HD21 LEU 7 7.590 2.961 -7.184 49 HD22 LEU 7 HD22 LEU 7 6.234 3.618 -6.275 50 HD23 LEU 7 HD23 LEU 7 6.923 4.539 -7.607 51 H THR 8 HN THR 8 5.488 -1.693 -8.677 52 HA THR 8 HA THR 8 4.264 -3.016 -6.634 53 HB THR 8 HB THR 8 5.673 -4.056 -9.075 54 HG1 THR 8 HG1 THR 8 2.974 -3.880 -9.200 55 HG21 THR 8 HG21 THR 8 4.068 -5.919 -8.937 56 HG22 THR 8 HG22 THR 8 3.469 -5.231 -7.421 57 HG23 THR 8 HG23 THR 8 5.117 -5.861 -7.508 58 H GLY 9 HN GLY 9 4.910 -4.437 -5.104 59 HA2 GLY 9 HA2 GLY 9 6.414 -6.056 -4.193 60 HA3 GLY 9 HA1 GLY 9 7.739 -5.242 -5.018 61 H THR 10 HN THR 10 6.339 -2.670 -4.093 62 HA THR 10 HA THR 10 7.967 -2.277 -1.812 63 HB THR 10 HB THR 10 5.721 -0.576 -2.840 64 HG1 THR 10 HG1 THR 10 7.052 -0.456 -4.492 65 HG21 THR 10 HG21 THR 10 6.965 1.303 -1.769 66 HG22 THR 10 HG22 THR 10 8.097 0.132 -1.090 67 HG23 THR 10 HG23 THR 10 6.401 0.109 -0.605 68 H LYS 11 HN LYS 11 7.501 -2.667 0.168 69 HA LYS 11 HA LYS 11 4.802 -3.398 1.005 70 HB2 LYS 11 HB2 LYS 11 7.439 -3.589 2.501 71 HB3 LYS 11 HB1 LYS 11 5.884 -4.214 3.050 72 HG2 LYS 11 HG2 LYS 11 5.832 -5.797 1.218 73 HG3 LYS 11 HG1 LYS 11 7.336 -5.133 0.583 74 HD2 LYS 11 HD2 LYS 11 8.516 -5.852 2.587 75 HD3 LYS 11 HD1 LYS 11 7.012 -6.472 3.270 76 HE2 LYS 11 HE2 LYS 11 6.821 -8.045 1.409 77 HE3 LYS 11 HE1 LYS 11 8.317 -7.427 0.720 78 HZ1 LYS 11 HZ1 LYS 11 8.724 -9.449 1.929 79 HZ2 LYS 11 HZ2 LYS 11 8.022 -8.856 3.312 80 HZ3 LYS 11 HZ3 LYS 11 9.471 -8.187 2.753 81 H VAL 12 HN VAL 12 3.616 -1.792 1.680 82 HA VAL 12 HA VAL 12 4.930 0.525 2.932 83 HB VAL 12 HB VAL 12 4.244 0.751 0.526 84 HG11 VAL 12 HG11 VAL 12 1.968 1.168 -0.054 85 HG12 VAL 12 HG12 VAL 12 1.477 0.611 1.551 86 HG13 VAL 12 HG13 VAL 12 2.282 -0.492 0.439 87 HG21 VAL 12 HG21 VAL 12 3.576 2.923 0.655 88 HG22 VAL 12 HG22 VAL 12 4.606 2.623 2.060 89 HG23 VAL 12 HG23 VAL 12 2.850 2.708 2.244 90 H LYS 13 HN LYS 13 3.152 1.855 3.874 91 HA LYS 13 HA LYS 13 1.193 0.115 5.167 92 HB2 LYS 13 HB2 LYS 13 2.737 1.070 6.845 93 HB3 LYS 13 HB1 LYS 13 2.326 2.693 6.306 94 HG2 LYS 13 HG2 LYS 13 0.286 2.694 7.341 95 HG3 LYS 13 HG1 LYS 13 0.125 0.941 7.259 96 HD2 LYS 13 HD2 LYS 13 0.464 1.793 9.561 97 HD3 LYS 13 HD1 LYS 13 1.706 0.658 9.052 98 HE2 LYS 13 HE2 LYS 13 3.174 2.535 8.538 99 HE3 LYS 13 HE1 LYS 13 1.947 3.665 9.121 100 HZ1 LYS 13 HZ1 LYS 13 3.273 1.539 10.711 101 HZ2 LYS 13 HZ2 LYS 13 2.100 2.601 11.308 102 HZ3 LYS 13 HZ3 LYS 13 3.594 3.190 10.832 103 H VAL 14 HN VAL 14 -0.946 0.810 5.353 104 HA VAL 14 HA VAL 14 -1.663 2.852 3.402 105 HB VAL 14 HB VAL 14 -2.775 0.059 3.776 106 HG11 VAL 14 HG11 VAL 14 -4.590 1.680 3.452 107 HG12 VAL 14 HG12 VAL 14 -4.410 0.573 2.097 108 HG13 VAL 14 HG13 VAL 14 -3.806 2.233 1.968 109 HG21 VAL 14 HG21 VAL 14 -0.766 0.175 2.392 110 HG22 VAL 14 HG22 VAL 14 -1.524 1.399 1.370 111 HG23 VAL 14 HG23 VAL 14 -2.179 -0.237 1.421 112 H LYS 15 HN LYS 15 -3.044 4.278 4.195 113 HA LYS 15 HA LYS 15 -4.558 3.646 6.625 114 HB2 LYS 15 HB2 LYS 15 -3.017 5.641 6.629 115 HB3 LYS 15 HB1 LYS 15 -4.016 6.275 5.289 116 HG2 LYS 15 HG2 LYS 15 -5.906 6.436 6.759 117 HG3 LYS 15 HG1 LYS 15 -4.994 5.701 8.077 118 HD2 LYS 15 HD2 LYS 15 -3.383 7.588 7.929 119 HD3 LYS 15 HD1 LYS 15 -4.444 8.346 6.743 120 HE2 LYS 15 HE2 LYS 15 -6.245 8.396 8.384 121 HE3 LYS 15 HE1 LYS 15 -5.203 7.605 9.561 122 HZ1 LYS 15 HZ1 LYS 15 -3.697 9.545 9.386 123 HZ2 LYS 15 HZ2 LYS 15 -5.210 9.915 9.992 124 HZ3 LYS 15 HZ3 LYS 15 -4.836 10.316 8.407 125 H TYR 16 HN TYR 16 -6.601 3.015 6.008 126 HA TYR 16 HA TYR 16 -7.773 4.450 3.764 127 HB2 TYR 16 HB2 TYR 16 -6.859 2.174 3.103 128 HB3 TYR 16 HB1 TYR 16 -8.027 1.484 4.225 129 HD1 TYR 16 HD2 TYR 16 -7.804 3.673 1.248 130 HD2 TYR 16 HD1 TYR 16 -10.092 0.923 3.483 131 HE1 TYR 16 HE2 TYR 16 -9.485 3.661 -0.550 132 HE2 TYR 16 HE1 TYR 16 -11.816 0.891 1.694 133 HH TYR 16 HH TYR 16 -11.240 1.970 -1.339 134 H GLY 17 HN GLY 17 -9.285 5.605 4.822 135 HA2 GLY 17 HA2 GLY 17 -11.280 4.108 6.240 136 HA3 GLY 17 HA1 GLY 17 -10.305 5.216 7.202 137 H ARG 18 HN ARG 18 -13.117 4.996 6.360 138 HA ARG 18 HA ARG 18 -13.498 7.831 5.999 139 HB2 ARG 18 HB2 ARG 18 -15.320 7.453 4.327 140 HB3 ARG 18 HB1 ARG 18 -13.711 7.114 3.707 141 HG2 ARG 18 HG2 ARG 18 -14.114 4.754 3.804 142 HG3 ARG 18 HG1 ARG 18 -15.615 4.985 4.691 143 HD2 ARG 18 HD2 ARG 18 -16.518 6.221 2.731 144 HD3 ARG 18 HD1 ARG 18 -15.041 5.843 1.855 145 HE ARG 18 HE ARG 18 -15.657 3.453 2.219 146 HH11 ARG 18 HH11 ARG 18 -18.237 5.918 2.195 147 HH12 ARG 18 HH12 ARG 18 -19.397 4.863 1.538 148 HH21 ARG 18 HH21 ARG 18 -17.274 2.034 1.399 149 HH22 ARG 18 HH22 ARG 18 -18.850 2.581 1.109 150 H GLY 19 HN GLY 19 -14.645 8.362 7.714 151 HA2 GLY 19 HA2 GLY 19 -16.378 8.432 9.227 152 HA3 GLY 19 HA1 GLY 19 -17.166 7.146 8.321 153 H LYS 20 HN LYS 20 -17.496 5.396 9.513 154 HA LYS 20 HA LYS 20 -15.771 4.882 11.770 155 HB2 LYS 20 HB2 LYS 20 -18.222 4.662 12.066 156 HB3 LYS 20 HB1 LYS 20 -18.246 3.382 10.862 157 HG2 LYS 20 HG2 LYS 20 -18.327 2.531 13.194 158 HG3 LYS 20 HG1 LYS 20 -16.934 1.954 12.263 159 HD2 LYS 20 HD2 LYS 20 -15.520 3.655 13.303 160 HD3 LYS 20 HD1 LYS 20 -16.899 4.225 14.249 161 HE2 LYS 20 HE2 LYS 20 -16.964 2.205 15.478 162 HE3 LYS 20 HE1 LYS 20 -15.840 1.411 14.372 163 HZ1 LYS 20 HZ1 LYS 20 -15.180 3.741 16.085 164 HZ2 LYS 20 HZ2 LYS 20 -14.107 2.908 15.093 165 HZ3 LYS 20 HZ3 LYS 20 -14.764 2.157 16.443 166 H THR 21 HN THR 21 -16.134 3.960 8.568 167 HA THR 21 HA THR 21 -14.784 1.441 8.734 168 HB THR 21 HB THR 21 -15.475 3.236 6.385 169 HG1 THR 21 HG1 THR 21 -16.818 0.957 7.392 170 HG21 THR 21 HG21 THR 21 -15.310 1.163 5.023 171 HG22 THR 21 HG22 THR 21 -14.705 0.295 6.442 172 HG23 THR 21 HG23 THR 21 -13.769 1.614 5.743 173 H GLN 22 HN GLN 22 -13.073 2.646 10.047 174 HA GLN 22 HA GLN 22 -10.974 3.755 8.294 175 HB2 GLN 22 HB2 GLN 22 -11.877 5.479 9.787 176 HB3 GLN 22 HB1 GLN 22 -11.611 4.439 11.172 177 HG2 GLN 22 HG2 GLN 22 -9.923 6.153 11.107 178 HG3 GLN 22 HG1 GLN 22 -9.190 4.580 10.785 179 HE21 GLN 22 HE21 GLN 22 -8.228 4.233 8.818 180 HE22 GLN 22 HE22 GLN 22 -8.017 5.492 7.645 181 H LYS 23 HN LYS 23 -9.335 2.332 8.080 182 HA LYS 23 HA LYS 23 -8.519 0.870 10.417 183 HB2 LYS 23 HB2 LYS 23 -10.223 -0.487 9.227 184 HB3 LYS 23 HB1 LYS 23 -9.259 -0.360 7.767 185 HG2 LYS 23 HG2 LYS 23 -7.523 -1.643 8.732 186 HG3 LYS 23 HG1 LYS 23 -8.355 -1.672 10.294 187 HD2 LYS 23 HD2 LYS 23 -10.218 -2.911 9.312 188 HD3 LYS 23 HD1 LYS 23 -9.455 -2.828 7.724 189 HE2 LYS 23 HE2 LYS 23 -7.583 -4.169 8.561 190 HE3 LYS 23 HE1 LYS 23 -8.339 -4.242 10.147 191 HZ1 LYS 23 HZ1 LYS 23 -8.708 -6.235 8.771 192 HZ2 LYS 23 HZ2 LYS 23 -9.557 -5.328 7.657 193 HZ3 LYS 23 HZ3 LYS 23 -10.154 -5.513 9.227 194 H ILE 24 HN ILE 24 -6.351 0.946 10.482 195 HA ILE 24 HA ILE 24 -4.961 1.578 8.000 196 HB ILE 24 HB ILE 24 -4.008 2.118 10.841 197 HG12 ILE 24 HG12 ILE 24 -4.148 4.587 9.668 198 HG13 ILE 24 HG11 ILE 24 -5.396 3.710 8.802 199 HG21 ILE 24 HG21 ILE 24 -2.143 3.352 9.781 200 HG22 ILE 24 HG22 ILE 24 -2.693 2.799 8.195 201 HG23 ILE 24 HG23 ILE 24 -2.121 1.638 9.377 202 HD11 ILE 24 HD11 ILE 24 -6.310 4.954 10.705 203 HD12 ILE 24 HD12 ILE 24 -5.347 3.954 11.794 204 HD13 ILE 24 HD13 ILE 24 -6.601 3.218 10.800 205 H TYR 25 HN TYR 25 -3.496 0.288 7.230 206 HA TYR 25 HA TYR 25 -2.602 -1.995 8.697 207 HB2 TYR 25 HB2 TYR 25 -3.434 -3.360 6.505 208 HB3 TYR 25 HB1 TYR 25 -4.309 -3.304 8.016 209 HD1 TYR 25 HD2 TYR 25 -4.388 -0.378 5.645 210 HD2 TYR 25 HD1 TYR 25 -6.353 -3.917 6.965 211 HE1 TYR 25 HE2 TYR 25 -6.466 0.306 4.459 212 HE2 TYR 25 HE1 TYR 25 -8.393 -3.224 5.780 213 HH TYR 25 HH TYR 25 -8.440 -1.046 3.438 214 H GLU 26 HN GLU 26 -1.164 -3.393 7.287 215 HA GLU 26 HA GLU 26 0.440 -1.587 5.622 216 HB2 GLU 26 HB2 GLU 26 1.300 -3.905 7.370 217 HB3 GLU 26 HB1 GLU 26 2.384 -3.008 6.308 218 HG2 GLU 26 HG2 GLU 26 2.118 -1.010 7.572 219 HG3 GLU 26 HG1 GLU 26 0.768 -1.691 8.467 220 H ALA 27 HN ALA 27 1.081 -2.256 3.605 221 HA ALA 27 HA ALA 27 0.116 -4.862 2.727 222 HB1 ALA 27 HB1 ALA 27 -1.702 -3.279 2.331 223 HB2 ALA 27 HB2 ALA 27 -1.029 -3.895 0.821 224 HB3 ALA 27 HB3 ALA 27 -0.609 -2.276 1.379 225 H SER 28 HN SER 28 0.638 -5.079 0.292 226 HA SER 28 HA SER 28 3.187 -3.810 -0.305 227 HB2 SER 28 HB2 SER 28 2.225 -6.549 -1.154 228 HB3 SER 28 HB1 SER 28 3.830 -5.843 -1.389 229 HG SER 28 HG SER 28 3.584 -5.608 1.078 230 H ILE 29 HN ILE 29 3.287 -2.863 -2.244 231 HA ILE 29 HA ILE 29 0.879 -2.305 -3.696 232 HB ILE 29 HB ILE 29 3.755 -1.717 -4.464 233 HG12 ILE 29 HG12 ILE 29 3.266 -0.652 -2.340 234 HG13 ILE 29 HG11 ILE 29 3.320 0.575 -3.595 235 HG21 ILE 29 HG21 ILE 29 1.205 -0.529 -5.528 236 HG22 ILE 29 HG22 ILE 29 2.314 -1.604 -6.383 237 HG23 ILE 29 HG23 ILE 29 2.835 0.022 -5.926 238 HD11 ILE 29 HD11 ILE 29 0.836 0.534 -3.648 239 HD12 ILE 29 HD12 ILE 29 1.520 1.048 -2.111 240 HD13 ILE 29 HD13 ILE 29 0.872 -0.584 -2.277 241 H LYS 30 HN LYS 30 0.049 -3.424 -5.367 242 HA LYS 30 HA LYS 30 1.792 -5.441 -6.547 243 HB2 LYS 30 HB2 LYS 30 -0.519 -5.943 -5.298 244 HB3 LYS 30 HB1 LYS 30 -1.165 -5.597 -6.891 245 HG2 LYS 30 HG2 LYS 30 0.919 -7.720 -6.314 246 HG3 LYS 30 HG1 LYS 30 -0.805 -8.019 -6.454 247 HD2 LYS 30 HD2 LYS 30 0.928 -6.885 -8.662 248 HD3 LYS 30 HD1 LYS 30 0.498 -8.589 -8.501 249 HE2 LYS 30 HE2 LYS 30 -1.878 -7.985 -8.683 250 HE3 LYS 30 HE1 LYS 30 -1.428 -6.295 -8.868 251 HZ1 LYS 30 HZ1 LYS 30 -1.872 -7.313 -10.989 252 HZ2 LYS 30 HZ2 LYS 30 -0.651 -8.470 -10.738 253 HZ3 LYS 30 HZ3 LYS 30 -0.262 -6.850 -10.896 254 H SER 31 HN SER 31 -0.629 -2.919 -7.314 255 HA SER 31 HA SER 31 0.623 -2.561 -9.924 256 HB2 SER 31 HB2 SER 31 -2.364 -3.084 -9.623 257 HB3 SER 31 HB1 SER 31 -1.569 -2.594 -11.114 258 HG SER 31 HG SER 31 -0.307 -4.542 -10.916 259 H THR 32 HN THR 32 -0.359 -0.471 -11.016 260 HA THR 32 HA THR 32 -1.681 1.306 -9.118 261 HB THR 32 HB THR 32 0.586 2.469 -10.662 262 HG1 THR 32 HG1 THR 32 0.726 0.718 -8.482 263 HG21 THR 32 HG21 THR 32 0.632 4.010 -8.799 264 HG22 THR 32 HG22 THR 32 -0.607 3.064 -7.983 265 HG23 THR 32 HG23 THR 32 -0.979 3.881 -9.503 266 H GLU 33 HN GLU 33 -2.927 2.810 -10.144 267 HA GLU 33 HA GLU 33 -2.803 2.996 -13.048 268 HB2 GLU 33 HB2 GLU 33 -5.280 2.283 -11.504 269 HB3 GLU 33 HB1 GLU 33 -5.342 2.998 -13.104 270 HG2 GLU 33 HG2 GLU 33 -3.871 1.157 -13.846 271 HG3 GLU 33 HG1 GLU 33 -4.213 0.332 -12.314 272 H ILE 34 HN ILE 34 -3.500 4.849 -13.866 273 HA ILE 34 HA ILE 34 -4.075 6.942 -11.885 274 HB ILE 34 HB ILE 34 -2.774 7.279 -14.586 275 HG12 ILE 34 HG12 ILE 34 -0.815 8.270 -13.323 276 HG13 ILE 34 HG11 ILE 34 -1.598 7.782 -11.836 277 HG21 ILE 34 HG21 ILE 34 -4.220 9.162 -14.174 278 HG22 ILE 34 HG22 ILE 34 -2.548 9.700 -14.025 279 HG23 ILE 34 HG23 ILE 34 -3.509 9.408 -12.578 280 HD11 ILE 34 HD11 ILE 34 -1.391 5.490 -12.445 281 HD12 ILE 34 HD12 ILE 34 0.194 6.270 -12.460 282 HD13 ILE 34 HD13 ILE 34 -0.638 5.906 -13.987 283 H ASP 35 HN ASP 35 -6.107 7.476 -12.034 284 HA ASP 35 HA ASP 35 -7.413 7.684 -14.623 285 HB2 ASP 35 HB2 ASP 35 -7.661 5.262 -13.877 286 HB3 ASP 35 HB1 ASP 35 -8.624 5.862 -12.533 287 H ASP 36 HN ASP 36 -8.837 9.252 -14.619 288 HA ASP 36 HA ASP 36 -10.253 10.893 -14.036 289 HB2 ASP 36 HB2 ASP 36 -11.404 9.116 -12.643 290 HB3 ASP 36 HB1 ASP 36 -10.419 9.620 -11.284 291 H GLY 37 HN GLY 37 -7.370 10.906 -13.589 292 HA2 GLY 37 HA2 GLY 37 -5.965 12.712 -13.198 293 HA3 GLY 37 HA1 GLY 37 -7.254 13.491 -12.299 294 H GLU 38 HN GLU 38 -6.892 10.387 -11.111 295 HA GLU 38 HA GLU 38 -4.846 11.228 -9.203 296 HB2 GLU 38 HB2 GLU 38 -6.109 10.123 -7.434 297 HB3 GLU 38 HB1 GLU 38 -6.987 11.498 -8.124 298 HG2 GLU 38 HG2 GLU 38 -8.311 9.787 -9.444 299 HG3 GLU 38 HG1 GLU 38 -7.531 8.553 -8.458 300 H VAL 39 HN VAL 39 -3.792 9.482 -8.117 301 HA VAL 39 HA VAL 39 -3.645 7.225 -9.902 302 HB VAL 39 HB VAL 39 -1.610 8.562 -9.977 303 HG11 VAL 39 HG11 VAL 39 -0.135 8.819 -8.045 304 HG12 VAL 39 HG12 VAL 39 -1.406 8.113 -7.031 305 HG13 VAL 39 HG13 VAL 39 -1.695 9.638 -7.875 306 HG21 VAL 39 HG21 VAL 39 -1.418 6.149 -10.274 307 HG22 VAL 39 HG22 VAL 39 -1.201 5.913 -8.559 308 HG23 VAL 39 HG23 VAL 39 0.029 6.760 -9.490 309 H LEU 40 HN LEU 40 -4.244 5.482 -9.206 310 HA LEU 40 HA LEU 40 -4.714 5.145 -6.356 311 HB2 LEU 40 HB2 LEU 40 -6.032 3.807 -8.704 312 HB3 LEU 40 HB1 LEU 40 -6.441 3.537 -7.016 313 HG LEU 40 HG LEU 40 -8.181 4.934 -7.784 314 HD11 LEU 40 HD11 LEU 40 -7.960 7.008 -6.720 315 HD12 LEU 40 HD12 LEU 40 -6.207 6.783 -6.613 316 HD13 LEU 40 HD13 LEU 40 -7.286 5.689 -5.755 317 HD21 LEU 40 HD21 LEU 40 -7.100 5.379 -9.974 318 HD22 LEU 40 HD22 LEU 40 -6.184 6.681 -9.216 319 HD23 LEU 40 HD23 LEU 40 -7.957 6.744 -9.288 320 H TYR 41 HN TYR 41 -3.901 3.458 -5.444 321 HA TYR 41 HA TYR 41 -2.119 1.792 -7.047 322 HB2 TYR 41 HB2 TYR 41 -2.073 2.589 -4.152 323 HB3 TYR 41 HB1 TYR 41 -1.116 1.257 -4.779 324 HD1 TYR 41 HD2 TYR 41 -1.732 4.896 -5.309 325 HD2 TYR 41 HD1 TYR 41 0.984 1.654 -5.589 326 HE1 TYR 41 HE2 TYR 41 0.065 6.457 -5.922 327 HE2 TYR 41 HE1 TYR 41 2.778 3.182 -6.201 328 HH TYR 41 HH TYR 41 2.932 5.457 -7.269 329 H LEU 42 HN LEU 42 -2.194 -0.326 -6.792 330 HA LEU 42 HA LEU 42 -4.566 -1.291 -5.456 331 HB2 LEU 42 HB2 LEU 42 -4.471 -1.638 -7.921 332 HB3 LEU 42 HB1 LEU 42 -2.956 -2.490 -7.719 333 HG LEU 42 HG LEU 42 -5.108 -3.861 -8.115 334 HD11 LEU 42 HD11 LEU 42 -3.038 -4.902 -7.519 335 HD12 LEU 42 HD12 LEU 42 -4.363 -5.664 -6.633 336 HD13 LEU 42 HD13 LEU 42 -3.290 -4.524 -5.813 337 HD21 LEU 42 HD21 LEU 42 -6.284 -4.440 -6.010 338 HD22 LEU 42 HD22 LEU 42 -6.551 -2.788 -6.546 339 HD23 LEU 42 HD23 LEU 42 -5.442 -3.119 -5.223 340 H VAL 43 HN VAL 43 -4.132 -2.185 -3.650 341 HA VAL 43 HA VAL 43 -1.407 -3.170 -3.149 342 HB VAL 43 HB VAL 43 -1.528 -2.317 -0.947 343 HG11 VAL 43 HG11 VAL 43 -2.741 -0.193 -2.674 344 HG12 VAL 43 HG12 VAL 43 -1.049 -0.633 -2.632 345 HG13 VAL 43 HG13 VAL 43 -1.810 0.069 -1.197 346 HG21 VAL 43 HG21 VAL 43 -3.853 -2.921 -0.381 347 HG22 VAL 43 HG22 VAL 43 -4.445 -1.628 -1.416 348 HG23 VAL 43 HG23 VAL 43 -3.533 -1.238 0.040 349 H HIS 44 HN HIS 44 -1.259 -5.015 -2.020 350 HA HIS 44 HA HIS 44 -3.704 -6.235 -1.046 351 HB2 HIS 44 HB2 HIS 44 -3.059 -7.435 -3.158 352 HB3 HIS 44 HB1 HIS 44 -1.488 -7.793 -2.441 353 HD1 HIS 44 HD1 HIS 44 -5.172 -8.674 -2.030 354 HD2 HIS 44 HD2 HIS 44 -1.446 -9.930 -0.660 355 HE1 HIS 44 HE1 HIS 44 -5.587 -10.727 -0.695 356 HE2 HIS 44 HE2 HIS 44 -3.378 -11.381 0.237 357 H TYR 45 HN TYR 45 -3.429 -7.151 0.936 358 HA TYR 45 HA TYR 45 -1.158 -6.046 2.202 359 HB2 TYR 45 HB2 TYR 45 -3.546 -7.529 3.349 360 HB3 TYR 45 HB1 TYR 45 -2.351 -6.632 4.293 361 HD1 TYR 45 HD2 TYR 45 -5.026 -6.238 1.718 362 HD2 TYR 45 HD1 TYR 45 -2.433 -4.259 4.443 363 HE1 TYR 45 HE2 TYR 45 -6.160 -4.104 1.240 364 HE2 TYR 45 HE1 TYR 45 -3.561 -2.137 3.959 365 HH TYR 45 HH TYR 45 -6.481 -1.852 2.160 366 H TYR 46 HN TYR 46 0.610 -7.041 1.815 367 HA TYR 46 HA TYR 46 2.194 -8.534 1.568 368 HB2 TYR 46 HB2 TYR 46 0.939 -9.291 4.133 369 HB3 TYR 46 HB1 TYR 46 2.297 -10.260 3.523 370 HD1 TYR 46 HD1 TYR 46 1.275 -6.789 4.462 371 HD2 TYR 46 HD2 TYR 46 4.481 -9.491 3.775 372 HE1 TYR 46 HE1 TYR 46 2.864 -5.114 5.313 373 HE2 TYR 46 HE2 TYR 46 6.073 -7.838 4.625 374 HH TYR 46 HH TYR 46 5.125 -5.014 6.260 375 H GLY 47 HN GLY 47 1.649 -9.347 -0.396 376 HA2 GLY 47 HA2 GLY 47 1.912 -11.812 -1.068 377 HA3 GLY 47 HA1 GLY 47 0.277 -11.925 -0.421 378 H TRP 48 HN TRP 48 -0.003 -12.642 -2.744 379 HA TRP 48 HA TRP 48 -0.187 -10.417 -4.618 380 HB2 TRP 48 HB2 TRP 48 -0.408 -12.182 -6.347 381 HB3 TRP 48 HB1 TRP 48 1.019 -12.436 -5.364 382 HD1 TRP 48 HD1 TRP 48 -2.123 -14.088 -6.504 383 HE1 TRP 48 HE1 TRP 48 -2.299 -16.461 -5.522 384 HE3 TRP 48 HE3 TRP 48 1.668 -13.844 -3.074 385 HZ2 TRP 48 HZ2 TRP 48 -1.015 -18.020 -3.565 386 HZ3 TRP 48 HZ3 TRP 48 2.126 -15.822 -1.690 387 HH2 TRP 48 HH2 TRP 48 0.813 -17.865 -1.929 388 H ASN 49 HN ASN 49 -2.249 -10.266 -5.937 389 HA ASN 49 HA ASN 49 -4.426 -10.821 -4.075 390 HB2 ASN 49 HB2 ASN 49 -5.762 -9.038 -5.144 391 HB3 ASN 49 HB1 ASN 49 -4.281 -8.439 -4.431 392 HD21 ASN 49 HD21 ASN 49 -6.144 -7.551 -6.669 393 HD22 ASN 49 HD22 ASN 49 -5.087 -7.203 -7.974 394 H VAL 50 HN VAL 50 -5.149 -12.744 -4.568 395 HA VAL 50 HA VAL 50 -6.126 -13.151 -7.255 396 HB VAL 50 HB VAL 50 -6.998 -15.383 -6.393 397 HG11 VAL 50 HG11 VAL 50 -4.052 -14.867 -6.079 398 HG12 VAL 50 HG12 VAL 50 -4.893 -15.230 -7.587 399 HG13 VAL 50 HG13 VAL 50 -4.801 -16.444 -6.315 400 HG21 VAL 50 HG21 VAL 50 -7.134 -14.823 -4.007 401 HG22 VAL 50 HG22 VAL 50 -5.377 -14.672 -3.939 402 HG23 VAL 50 HG23 VAL 50 -6.118 -16.238 -4.275 403 H ARG 51 HN ARG 51 -7.427 -12.807 -4.010 404 HA ARG 51 HA ARG 51 -10.078 -12.326 -5.185 405 HB2 ARG 51 HB2 ARG 51 -10.142 -14.191 -3.713 406 HB3 ARG 51 HB1 ARG 51 -9.229 -13.340 -2.490 407 HG2 ARG 51 HG2 ARG 51 -11.528 -13.572 -1.779 408 HG3 ARG 51 HG1 ARG 51 -11.188 -11.874 -2.082 409 HD2 ARG 51 HD2 ARG 51 -12.531 -13.688 -4.073 410 HD3 ARG 51 HD1 ARG 51 -13.425 -12.741 -2.889 411 HE ARG 51 HE ARG 51 -11.981 -10.851 -4.078 412 HH11 ARG 51 HH11 ARG 51 -13.945 -13.441 -5.404 413 HH12 ARG 51 HH12 ARG 51 -14.311 -12.629 -6.850 414 HH21 ARG 51 HH21 ARG 51 -12.454 -9.724 -6.066 415 HH22 ARG 51 HH22 ARG 51 -13.447 -10.455 -7.229 416 H TYR 52 HN TYR 52 -8.043 -11.206 -2.508 417 HA TYR 52 HA TYR 52 -9.822 -8.931 -2.253 418 HB2 TYR 52 HB2 TYR 52 -8.973 -10.248 -0.258 419 HB3 TYR 52 HB1 TYR 52 -7.407 -9.492 -0.538 420 HD1 TYR 52 HD1 TYR 52 -10.871 -8.951 0.499 421 HD2 TYR 52 HD2 TYR 52 -7.055 -7.134 0.037 422 HE1 TYR 52 HE1 TYR 52 -11.621 -7.052 1.853 423 HE2 TYR 52 HE2 TYR 52 -7.812 -5.217 1.395 424 HH TYR 52 HH TYR 52 -9.931 -4.126 2.028 425 H ASP 53 HN ASP 53 -9.488 -7.485 -3.730 426 HA ASP 53 HA ASP 53 -6.780 -6.393 -4.043 427 HB2 ASP 53 HB2 ASP 53 -7.322 -5.901 -6.388 428 HB3 ASP 53 HB1 ASP 53 -7.950 -7.473 -6.050 429 H GLU 54 HN GLU 54 -6.511 -4.273 -3.273 430 HA GLU 54 HA GLU 54 -8.976 -2.755 -3.010 431 HB2 GLU 54 HB2 GLU 54 -8.399 -3.791 -0.802 432 HB3 GLU 54 HB1 GLU 54 -6.886 -2.903 -0.827 433 HG2 GLU 54 HG2 GLU 54 -7.962 -0.839 -0.548 434 HG3 GLU 54 HG1 GLU 54 -9.532 -1.507 -0.987 435 H TRP 55 HN TRP 55 -8.888 -0.671 -3.432 436 HA TRP 55 HA TRP 55 -6.383 0.274 -4.638 437 HB2 TRP 55 HB2 TRP 55 -9.234 1.061 -5.272 438 HB3 TRP 55 HB1 TRP 55 -7.799 1.696 -6.067 439 HD1 TRP 55 HD1 TRP 55 -9.752 -1.610 -5.683 440 HE1 TRP 55 HE1 TRP 55 -9.240 -3.105 -7.683 441 HE3 TRP 55 HE3 TRP 55 -6.231 1.319 -7.953 442 HZ2 TRP 55 HZ2 TRP 55 -7.567 -3.036 -9.986 443 HZ3 TRP 55 HZ3 TRP 55 -5.225 0.528 -10.050 444 HH2 TRP 55 HH2 TRP 55 -5.883 -1.602 -11.043 445 H VAL 56 HN VAL 56 -5.417 1.828 -3.649 446 HA VAL 56 HA VAL 56 -6.942 3.702 -1.949 447 HB VAL 56 HB VAL 56 -4.112 2.756 -1.390 448 HG11 VAL 56 HG11 VAL 56 -5.985 4.266 0.379 449 HG12 VAL 56 HG12 VAL 56 -4.601 4.903 -0.508 450 HG13 VAL 56 HG13 VAL 56 -4.342 3.730 0.765 451 HG21 VAL 56 HG21 VAL 56 -5.002 1.360 0.394 452 HG22 VAL 56 HG22 VAL 56 -5.617 0.837 -1.172 453 HG23 VAL 56 HG23 VAL 56 -6.649 1.770 -0.083 454 H LYS 57 HN LYS 57 -6.203 5.847 -2.066 455 HA LYS 57 HA LYS 57 -4.776 6.527 -4.477 456 HB2 LYS 57 HB2 LYS 57 -6.866 7.682 -3.646 457 HB3 LYS 57 HB1 LYS 57 -5.926 8.292 -2.303 458 HG2 LYS 57 HG2 LYS 57 -4.605 9.648 -3.767 459 HG3 LYS 57 HG1 LYS 57 -5.355 8.926 -5.198 460 HD2 LYS 57 HD2 LYS 57 -7.552 9.789 -4.485 461 HD3 LYS 57 HD1 LYS 57 -6.808 10.515 -3.065 462 HE2 LYS 57 HE2 LYS 57 -6.019 11.242 -5.881 463 HE3 LYS 57 HE1 LYS 57 -7.310 12.062 -5.011 464 HZ1 LYS 57 HZ1 LYS 57 -4.487 11.908 -4.046 465 HZ2 LYS 57 HZ2 LYS 57 -5.748 12.811 -3.414 466 HZ3 LYS 57 HZ3 LYS 57 -5.149 13.174 -4.937 467 H ALA 58 HN ALA 58 -2.842 7.819 -4.451 468 HA ALA 58 HA ALA 58 -0.739 6.766 -3.012 469 HB1 ALA 58 HB1 ALA 58 -0.604 8.050 -5.130 470 HB2 ALA 58 HB2 ALA 58 0.624 8.482 -3.938 471 HB3 ALA 58 HB3 ALA 58 -0.773 9.527 -4.185 472 H ASP 59 HN ASP 59 -2.685 9.466 -2.277 473 HA ASP 59 HA ASP 59 -1.056 10.796 -0.377 474 HB2 ASP 59 HB2 ASP 59 -4.049 10.909 -0.735 475 HB3 ASP 59 HB1 ASP 59 -3.072 12.067 0.159 476 H ARG 60 HN ARG 60 -3.191 8.105 -0.120 477 HA ARG 60 HA ARG 60 -3.336 8.318 2.798 478 HB2 ARG 60 HB2 ARG 60 -4.815 6.860 0.719 479 HB3 ARG 60 HB1 ARG 60 -4.643 6.088 2.284 480 HG2 ARG 60 HG2 ARG 60 -5.662 8.092 3.315 481 HG3 ARG 60 HG1 ARG 60 -5.955 8.722 1.683 482 HD2 ARG 60 HD2 ARG 60 -7.264 6.782 1.108 483 HD3 ARG 60 HD1 ARG 60 -6.738 6.027 2.602 484 HE ARG 60 HE ARG 60 -8.133 7.358 3.856 485 HH11 ARG 60 HH11 ARG 60 -8.524 8.149 0.428 486 HH12 ARG 60 HH12 ARG 60 -10.148 8.603 0.522 487 HH21 ARG 60 HH21 ARG 60 -10.462 8.056 4.024 488 HH22 ARG 60 HH22 ARG 60 -11.251 8.588 2.631 489 H ILE 61 HN ILE 61 -1.117 7.306 0.824 490 HA ILE 61 HA ILE 61 -0.710 4.765 2.178 491 HB ILE 61 HB ILE 61 0.435 5.748 -0.476 492 HG12 ILE 61 HG12 ILE 61 -1.759 3.765 0.144 493 HG13 ILE 61 HG11 ILE 61 -1.964 5.340 -0.602 494 HG21 ILE 61 HG21 ILE 61 0.499 3.060 0.841 495 HG22 ILE 61 HG22 ILE 61 1.869 4.183 0.720 496 HG23 ILE 61 HG23 ILE 61 1.193 3.446 -0.740 497 HD11 ILE 61 HD11 ILE 61 -0.674 4.556 -2.540 498 HD12 ILE 61 HD12 ILE 61 -2.114 3.584 -2.229 499 HD13 ILE 61 HD13 ILE 61 -0.525 2.979 -1.759 500 H ILE 62 HN ILE 62 1.530 4.400 3.018 501 HA ILE 62 HA ILE 62 2.629 7.039 3.759 502 HB ILE 62 HB ILE 62 2.696 4.440 5.350 503 HG12 ILE 62 HG12 ILE 62 1.503 5.715 7.129 504 HG13 ILE 62 HG11 ILE 62 1.290 7.061 6.003 505 HG21 ILE 62 HG21 ILE 62 4.782 5.625 5.641 506 HG22 ILE 62 HG22 ILE 62 3.836 5.673 7.126 507 HG23 ILE 62 HG23 ILE 62 3.912 7.094 6.084 508 HD11 ILE 62 HD11 ILE 62 0.104 4.285 5.806 509 HD12 ILE 62 HD12 ILE 62 -0.115 5.565 4.616 510 HD13 ILE 62 HD13 ILE 62 -0.746 5.764 6.251 511 H TRP 63 HN TRP 63 4.297 7.346 2.513 512 HA TRP 63 HA TRP 63 5.580 5.082 1.425 513 HB2 TRP 63 HB2 TRP 63 5.950 8.013 0.840 514 HB3 TRP 63 HB1 TRP 63 6.828 6.725 0.005 515 HD1 TRP 63 HD1 TRP 63 3.605 8.586 -0.123 516 HE1 TRP 63 HE1 TRP 63 2.009 7.510 -1.811 517 HE3 TRP 63 HE3 TRP 63 6.143 4.226 -0.927 518 HZ2 TRP 63 HZ2 TRP 63 1.852 5.087 -3.304 519 HZ3 TRP 63 HZ3 TRP 63 5.200 2.578 -2.486 520 HH2 TRP 63 HH2 TRP 63 3.109 2.993 -3.647 521 HA PRO 64 HA PRO 64 8.729 4.988 4.503 522 HB2 PRO 64 HB2 PRO 64 10.249 3.304 2.635 523 HB3 PRO 64 HB1 PRO 64 9.627 2.917 4.240 524 HG2 PRO 64 HG2 PRO 64 8.540 1.871 2.021 525 HG3 PRO 64 HG1 PRO 64 7.562 2.305 3.437 526 HD2 PRO 64 HD2 PRO 64 7.927 3.793 0.867 527 HD3 PRO 64 HD1 PRO 64 6.462 3.498 1.832 528 H LEU 65 HN LEU 65 9.936 6.629 4.793 529 HA LEU 65 HA LEU 65 12.362 7.000 3.223 530 HB2 LEU 65 HB2 LEU 65 10.368 8.723 2.674 531 HB3 LEU 65 HB1 LEU 65 10.777 9.355 4.249 532 HG LEU 65 HG LEU 65 11.775 10.682 2.455 533 HD11 LEU 65 HD11 LEU 65 13.836 9.184 4.025 534 HD12 LEU 65 HD12 LEU 65 12.988 10.656 4.515 535 HD13 LEU 65 HD13 LEU 65 14.109 10.694 3.156 536 HD21 LEU 65 HD21 LEU 65 13.246 8.167 1.691 537 HD22 LEU 65 HD22 LEU 65 13.515 9.773 1.010 538 HD23 LEU 65 HD23 LEU 65 11.969 8.959 0.767 539 H ASP 66 HN ASP 66 12.847 5.577 4.816 540 HA ASP 66 HA ASP 66 13.725 4.933 6.757 541 HB2 ASP 66 HB2 ASP 66 13.680 7.865 7.178 542 HB3 ASP 66 HB1 ASP 66 14.206 6.836 8.541 543 H LYS 67 HN LYS 67 11.628 7.547 7.791 544 HA LYS 67 HA LYS 67 9.709 7.693 8.983 545 HB2 LYS 67 HB2 LYS 67 8.938 6.243 7.050 546 HB3 LYS 67 HB1 LYS 67 9.182 4.843 8.075 547 HG2 LYS 67 HG2 LYS 67 6.840 5.385 8.028 548 HG3 LYS 67 HG1 LYS 67 7.470 5.738 9.635 549 HD2 LYS 67 HD2 LYS 67 7.643 8.112 9.044 550 HD3 LYS 67 HD1 LYS 67 7.008 7.761 7.438 551 HE2 LYS 67 HE2 LYS 67 4.924 6.953 8.484 552 HE3 LYS 67 HE1 LYS 67 5.584 7.363 10.066 553 HZ1 LYS 67 HZ1 LYS 67 5.019 9.268 7.857 554 HZ2 LYS 67 HZ2 LYS 67 5.716 9.695 9.308 555 HZ3 LYS 67 HZ3 LYS 67 4.130 9.117 9.282 556 H GLY 68 HN GLY 68 12.181 6.372 10.146 557 HA2 GLY 68 HA2 GLY 68 10.959 4.815 12.292 558 HA3 GLY 68 HA1 GLY 68 12.670 4.843 11.899 559 H LEU 69 HN LEU 69 10.061 6.748 13.170 560 HA LEU 69 HA LEU 69 11.785 8.778 14.232 561 HB2 LEU 69 HB2 LEU 69 8.877 8.160 14.841 562 HB3 LEU 69 HB1 LEU 69 9.744 9.495 15.553 563 HG LEU 69 HG LEU 69 8.385 10.382 13.838 564 HD11 LEU 69 HD11 LEU 69 10.547 11.391 13.974 565 HD12 LEU 69 HD12 LEU 69 9.952 11.422 12.318 566 HD13 LEU 69 HD13 LEU 69 11.188 10.253 12.786 567 HD21 LEU 69 HD21 LEU 69 8.469 9.665 11.486 568 HD22 LEU 69 HD22 LEU 69 7.925 8.361 12.540 569 HD23 LEU 69 HD23 LEU 69 9.577 8.369 11.925 570 H GLU 70 HN GLU 70 10.067 6.025 15.539 571 HA GLU 70 HA GLU 70 11.961 6.086 17.681 572 HB2 GLU 70 HB2 GLU 70 10.147 4.787 19.041 573 HB3 GLU 70 HB1 GLU 70 10.094 6.535 18.936 574 HG2 GLU 70 HG2 GLU 70 7.883 5.816 18.609 575 HG3 GLU 70 HG1 GLU 70 8.656 6.284 17.071 576 H HIS 71 HN HIS 71 12.706 3.920 18.389 577 HA HIS 71 HA HIS 71 12.051 1.998 16.309 578 HB2 HIS 71 HB2 HIS 71 14.737 2.466 17.544 579 HB3 HIS 71 HB1 HIS 71 14.340 0.944 16.762 580 HD1 HIS 71 HD1 HIS 71 16.588 2.547 15.601 581 HD2 HIS 71 HD2 HIS 71 12.647 3.047 14.386 582 HE1 HIS 71 HE1 HIS 71 16.697 3.505 13.273 583 HE2 HIS 71 HE2 HIS 71 14.319 3.590 12.503 584 H HIS 72 HN HIS 72 10.349 1.331 17.541 585 HA HIS 72 HA HIS 72 11.161 -0.589 19.597 586 HB2 HIS 72 HB2 HIS 72 8.387 0.278 18.704 587 HB3 HIS 72 HB1 HIS 72 8.703 -0.940 19.938 588 HD1 HIS 72 HD1 HIS 72 8.587 2.688 19.347 589 HD2 HIS 72 HD2 HIS 72 9.707 0.121 22.402 590 HE1 HIS 72 HE1 HIS 72 8.847 4.129 21.382 591 HE2 HIS 72 HE2 HIS 72 9.986 2.611 22.982 592 H HIS 73 HN HIS 73 10.359 -0.200 16.368 593 HA HIS 73 HA HIS 73 10.380 -3.107 15.919 594 HB2 HIS 73 HB2 HIS 73 9.660 -0.893 13.959 595 HB3 HIS 73 HB1 HIS 73 9.608 -2.614 13.635 596 HD1 HIS 73 HD1 HIS 73 7.609 0.188 14.761 597 HD2 HIS 73 HD2 HIS 73 7.408 -3.946 15.036 598 HE1 HIS 73 HE1 HIS 73 5.230 -0.332 15.264 599 HE2 HIS 73 HE2 HIS 73 5.109 -2.823 15.011 600 H HIS 74 HN HIS 74 12.675 -3.069 16.328 601 HA HIS 74 HA HIS 74 14.254 -1.481 14.458 602 HB2 HIS 74 HB2 HIS 74 15.084 -1.521 16.754 603 HB3 HIS 74 HB1 HIS 74 15.170 -3.279 16.714 604 HD1 HIS 74 HD1 HIS 74 17.401 -4.226 16.091 605 HD2 HIS 74 HD2 HIS 74 16.944 -0.320 14.753 606 HE1 HIS 74 HE1 HIS 74 19.554 -3.636 15.006 607 HE2 HIS 74 HE2 HIS 74 19.124 -1.409 13.946 608 H HIS 75 HN HIS 75 13.778 -4.834 15.347 609 HA HIS 75 HA HIS 75 14.019 -6.769 14.301 610 HB2 HIS 75 HB2 HIS 75 14.060 -5.138 11.750 611 HB3 HIS 75 HB1 HIS 75 13.952 -6.894 11.812 612 HD1 HIS 75 HD1 HIS 75 11.926 -3.955 11.622 613 HD2 HIS 75 HD2 HIS 75 11.518 -7.721 13.286 614 HE1 HIS 75 HE1 HIS 75 9.461 -4.274 11.967 615 HE2 HIS 75 HE2 HIS 75 9.315 -6.416 13.269 616 H HIS 76 HN HIS 76 16.026 -4.862 12.122 617 HA HIS 76 HA HIS 76 18.506 -5.855 13.064 618 HB2 HIS 76 HB2 HIS 76 17.715 -7.936 12.004 619 HB3 HIS 76 HB1 HIS 76 17.314 -7.074 10.537 620 HD1 HIS 76 HD1 HIS 76 19.205 -6.723 8.838 621 HD2 HIS 76 HD2 HIS 76 20.512 -8.385 12.419 622 HE1 HIS 76 HE1 HIS 76 21.536 -7.469 8.420 623 HE2 HIS 76 HE2 HIS 76 22.390 -8.147 10.661 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 2.670 2.672 -22.854 2 H2 GLU 1 HT2 GLU 1 3.407 3.938 -23.668 3 H3 GLU 1 HT3 GLU 1 1.876 3.378 -24.180 4 HA GLU 1 HA GLU 1 1.694 5.436 -22.982 5 HB2 GLU 1 HB2 GLU 1 0.648 3.005 -21.486 6 HB3 GLU 1 HB1 GLU 1 0.131 4.645 -21.156 7 HG2 GLU 1 HG2 GLU 1 -1.520 3.490 -22.495 8 HG3 GLU 1 HG1 GLU 1 -0.785 4.790 -23.432 9 H ASP 2 HN ASP 2 3.216 6.589 -21.950 10 HA ASP 2 HA ASP 2 4.718 5.332 -19.827 11 HB2 ASP 2 HB2 ASP 2 5.923 6.827 -21.375 12 HB3 ASP 2 HB1 ASP 2 4.894 8.166 -20.884 13 H MET 3 HN MET 3 3.014 4.935 -18.515 14 HA MET 3 HA MET 3 2.665 6.861 -16.458 15 HB2 MET 3 HB2 MET 3 0.901 7.571 -18.162 16 HB3 MET 3 HB1 MET 3 0.153 5.993 -17.936 17 HG2 MET 3 HG2 MET 3 -0.194 6.483 -15.588 18 HG3 MET 3 HG1 MET 3 0.546 8.068 -15.779 19 HE1 MET 3 HE1 MET 3 -3.516 6.795 -17.614 20 HE2 MET 3 HE2 MET 3 -2.532 5.773 -16.567 21 HE3 MET 3 HE3 MET 3 -1.978 6.158 -18.196 22 H GLU 4 HN GLU 4 3.854 4.417 -16.625 23 HA GLU 4 HA GLU 4 1.956 2.628 -15.281 24 HB2 GLU 4 HB2 GLU 4 4.360 1.870 -16.932 25 HB3 GLU 4 HB1 GLU 4 3.315 0.749 -16.067 26 HG2 GLU 4 HG2 GLU 4 1.448 1.378 -17.440 27 HG3 GLU 4 HG1 GLU 4 2.432 2.578 -18.270 28 HA PRO 5 HA PRO 5 5.131 3.627 -12.166 29 HB2 PRO 5 HB2 PRO 5 2.872 3.498 -10.297 30 HB3 PRO 5 HB1 PRO 5 3.976 4.842 -10.612 31 HG2 PRO 5 HG2 PRO 5 1.415 4.961 -11.391 32 HG3 PRO 5 HG1 PRO 5 2.749 5.636 -12.355 33 HD2 PRO 5 HD2 PRO 5 1.369 2.980 -12.721 34 HD3 PRO 5 HD1 PRO 5 1.709 4.236 -13.930 35 H CYS 6 HN CYS 6 6.247 1.935 -11.327 36 HA CYS 6 HA CYS 6 4.919 -0.595 -11.116 37 HB2 CYS 6 HB2 CYS 6 7.284 -1.279 -10.363 38 HB3 CYS 6 HB1 CYS 6 6.970 -0.950 -12.084 39 HG CYS 6 HG CYS 6 9.118 0.424 -12.133 40 H LEU 7 HN LEU 7 7.367 0.468 -8.821 41 HA LEU 7 HA LEU 7 7.485 0.578 -6.579 42 HB2 LEU 7 HB2 LEU 7 4.500 1.040 -6.731 43 HB3 LEU 7 HB1 LEU 7 5.435 1.204 -5.260 44 HG LEU 7 HG LEU 7 5.039 3.372 -6.012 45 HD11 LEU 7 HD11 LEU 7 7.207 4.296 -6.601 46 HD12 LEU 7 HD12 LEU 7 7.777 2.669 -6.965 47 HD13 LEU 7 HD13 LEU 7 7.306 3.087 -5.315 48 HD21 LEU 7 HD21 LEU 7 5.573 4.136 -8.357 49 HD22 LEU 7 HD22 LEU 7 4.209 3.041 -8.215 50 HD23 LEU 7 HD23 LEU 7 5.764 2.426 -8.784 51 H THR 8 HN THR 8 6.448 -1.942 -8.069 52 HA THR 8 HA THR 8 4.899 -3.441 -6.275 53 HB THR 8 HB THR 8 6.693 -4.530 -8.428 54 HG1 THR 8 HG1 THR 8 4.366 -2.909 -8.578 55 HG21 THR 8 HG21 THR 8 4.815 -6.100 -8.715 56 HG22 THR 8 HG22 THR 8 3.929 -5.239 -7.453 57 HG23 THR 8 HG23 THR 8 5.399 -6.125 -7.043 58 H GLY 9 HN GLY 9 5.500 -4.866 -4.692 59 HA2 GLY 9 HA2 GLY 9 7.043 -6.448 -3.791 60 HA3 GLY 9 HA1 GLY 9 8.358 -5.420 -4.356 61 H THR 10 HN THR 10 7.066 -2.998 -3.526 62 HA THR 10 HA THR 10 8.256 -2.722 -0.997 63 HB THR 10 HB THR 10 6.201 -0.859 -2.139 64 HG1 THR 10 HG1 THR 10 7.421 -0.884 -3.870 65 HG21 THR 10 HG21 THR 10 8.796 -0.407 -0.635 66 HG22 THR 10 HG22 THR 10 7.179 -0.318 0.058 67 HG23 THR 10 HG23 THR 10 7.675 0.854 -1.162 68 H LYS 11 HN LYS 11 7.396 -3.137 0.966 69 HA LYS 11 HA LYS 11 4.507 -3.380 1.168 70 HB2 LYS 11 HB2 LYS 11 4.773 -4.697 3.124 71 HB3 LYS 11 HB1 LYS 11 6.111 -5.208 2.129 72 HG2 LYS 11 HG2 LYS 11 7.107 -5.051 4.209 73 HG3 LYS 11 HG1 LYS 11 7.447 -3.446 3.556 74 HD2 LYS 11 HD2 LYS 11 5.503 -2.533 4.750 75 HD3 LYS 11 HD1 LYS 11 5.125 -4.131 5.380 76 HE2 LYS 11 HE2 LYS 11 6.220 -2.850 7.097 77 HE3 LYS 11 HE1 LYS 11 7.308 -4.125 6.563 78 HZ1 LYS 11 HZ1 LYS 11 8.487 -2.043 6.818 79 HZ2 LYS 11 HZ2 LYS 11 7.451 -1.259 5.771 80 HZ3 LYS 11 HZ3 LYS 11 8.477 -2.473 5.189 81 H VAL 12 HN VAL 12 3.376 -1.828 2.039 82 HA VAL 12 HA VAL 12 4.803 0.285 3.505 83 HB VAL 12 HB VAL 12 3.282 1.932 2.357 84 HG11 VAL 12 HG11 VAL 12 4.552 2.021 0.269 85 HG12 VAL 12 HG12 VAL 12 5.119 0.375 0.542 86 HG13 VAL 12 HG13 VAL 12 5.606 1.668 1.639 87 HG21 VAL 12 HG21 VAL 12 2.706 -0.421 0.551 88 HG22 VAL 12 HG22 VAL 12 2.220 1.243 0.245 89 HG23 VAL 12 HG23 VAL 12 1.555 0.374 1.628 90 H LYS 13 HN LYS 13 3.007 1.794 4.429 91 HA LYS 13 HA LYS 13 0.857 0.097 5.422 92 HB2 LYS 13 HB2 LYS 13 2.004 2.630 6.608 93 HB3 LYS 13 HB1 LYS 13 0.531 1.868 7.174 94 HG2 LYS 13 HG2 LYS 13 1.790 -0.140 7.691 95 HG3 LYS 13 HG1 LYS 13 3.304 0.686 7.262 96 HD2 LYS 13 HD2 LYS 13 1.361 1.296 9.499 97 HD3 LYS 13 HD1 LYS 13 3.042 0.781 9.643 98 HE2 LYS 13 HE2 LYS 13 3.710 2.905 8.535 99 HE3 LYS 13 HE1 LYS 13 2.008 3.357 8.555 100 HZ1 LYS 13 HZ1 LYS 13 3.227 4.340 10.400 101 HZ2 LYS 13 HZ2 LYS 13 3.597 2.801 11.005 102 HZ3 LYS 13 HZ3 LYS 13 1.997 3.318 10.932 103 H VAL 14 HN VAL 14 -1.137 0.793 5.264 104 HA VAL 14 HA VAL 14 -1.530 3.050 3.475 105 HB VAL 14 HB VAL 14 -2.894 0.349 3.452 106 HG11 VAL 14 HG11 VAL 14 -4.507 2.148 3.020 107 HG12 VAL 14 HG12 VAL 14 -4.196 1.135 1.615 108 HG13 VAL 14 HG13 VAL 14 -3.469 2.747 1.713 109 HG21 VAL 14 HG21 VAL 14 -0.716 0.358 2.361 110 HG22 VAL 14 HG22 VAL 14 -1.208 1.726 1.363 111 HG23 VAL 14 HG23 VAL 14 -2.010 0.169 1.179 112 H LYS 15 HN LYS 15 -3.043 4.362 4.023 113 HA LYS 15 HA LYS 15 -4.574 3.911 6.482 114 HB2 LYS 15 HB2 LYS 15 -2.997 5.917 6.291 115 HB3 LYS 15 HB1 LYS 15 -4.008 6.461 4.954 116 HG2 LYS 15 HG2 LYS 15 -5.918 6.649 6.422 117 HG3 LYS 15 HG1 LYS 15 -4.954 6.075 7.781 118 HD2 LYS 15 HD2 LYS 15 -4.478 8.615 6.209 119 HD3 LYS 15 HD1 LYS 15 -5.202 8.503 7.812 120 HE2 LYS 15 HE2 LYS 15 -3.084 7.500 8.643 121 HE3 LYS 15 HE1 LYS 15 -2.379 7.757 7.051 122 HZ1 LYS 15 HZ1 LYS 15 -2.822 10.163 7.346 123 HZ2 LYS 15 HZ2 LYS 15 -1.745 9.546 8.444 124 HZ3 LYS 15 HZ3 LYS 15 -3.330 9.852 8.927 125 H TYR 16 HN TYR 16 -6.403 2.988 5.688 126 HA TYR 16 HA TYR 16 -7.648 4.365 3.437 127 HB2 TYR 16 HB2 TYR 16 -6.738 2.092 2.821 128 HB3 TYR 16 HB1 TYR 16 -7.810 1.392 4.021 129 HD1 TYR 16 HD1 TYR 16 -7.756 3.322 0.848 130 HD2 TYR 16 HD2 TYR 16 -10.046 0.892 3.478 131 HE1 TYR 16 HE1 TYR 16 -9.533 3.147 -0.868 132 HE2 TYR 16 HE2 TYR 16 -11.814 0.727 1.776 133 HH TYR 16 HH TYR 16 -12.592 2.119 -0.086 134 H GLY 17 HN GLY 17 -9.619 5.105 3.896 135 HA2 GLY 17 HA2 GLY 17 -11.323 3.848 5.665 136 HA3 GLY 17 HA1 GLY 17 -10.385 5.045 6.539 137 H ARG 18 HN ARG 18 -13.056 4.933 6.199 138 HA ARG 18 HA ARG 18 -13.523 7.463 4.869 139 HB2 ARG 18 HB2 ARG 18 -15.853 6.567 4.383 140 HB3 ARG 18 HB1 ARG 18 -14.559 5.828 3.453 141 HG2 ARG 18 HG2 ARG 18 -14.616 3.893 5.043 142 HG3 ARG 18 HG1 ARG 18 -15.985 4.653 5.841 143 HD2 ARG 18 HD2 ARG 18 -15.888 3.830 2.944 144 HD3 ARG 18 HD1 ARG 18 -16.697 2.942 4.239 145 HE ARG 18 HE ARG 18 -17.802 5.380 4.388 146 HH11 ARG 18 HH11 ARG 18 -17.380 3.140 1.678 147 HH12 ARG 18 HH12 ARG 18 -18.747 3.678 0.832 148 HH21 ARG 18 HH21 ARG 18 -19.716 6.092 3.245 149 HH22 ARG 18 HH22 ARG 18 -20.148 5.341 1.782 150 H GLY 19 HN GLY 19 -13.559 8.752 6.559 151 HA2 GLY 19 HA2 GLY 19 -14.211 9.790 8.462 152 HA3 GLY 19 HA1 GLY 19 -15.716 8.914 8.290 153 H LYS 20 HN LYS 20 -16.188 7.393 9.705 154 HA LYS 20 HA LYS 20 -14.514 7.104 12.029 155 HB2 LYS 20 HB2 LYS 20 -16.983 7.475 12.137 156 HB3 LYS 20 HB1 LYS 20 -17.218 5.885 11.432 157 HG2 LYS 20 HG2 LYS 20 -16.132 4.870 13.376 158 HG3 LYS 20 HG1 LYS 20 -15.911 6.471 14.079 159 HD2 LYS 20 HD2 LYS 20 -18.350 6.790 14.082 160 HD3 LYS 20 HD1 LYS 20 -18.552 5.164 13.426 161 HE2 LYS 20 HE2 LYS 20 -17.405 4.257 15.408 162 HE3 LYS 20 HE1 LYS 20 -17.277 5.888 16.049 163 HZ1 LYS 20 HZ1 LYS 20 -19.124 4.688 17.005 164 HZ2 LYS 20 HZ2 LYS 20 -19.824 4.458 15.509 165 HZ3 LYS 20 HZ3 LYS 20 -19.669 6.027 16.150 166 H THR 21 HN THR 21 -15.121 5.337 9.168 167 HA THR 21 HA THR 21 -14.036 2.879 10.320 168 HB THR 21 HB THR 21 -15.177 3.413 7.559 169 HG1 THR 21 HG1 THR 21 -16.340 2.215 9.859 170 HG21 THR 21 HG21 THR 21 -14.564 0.796 8.970 171 HG22 THR 21 HG22 THR 21 -13.666 1.487 7.613 172 HG23 THR 21 HG23 THR 21 -15.330 0.968 7.386 173 H GLN 22 HN GLN 22 -11.878 3.647 10.532 174 HA GLN 22 HA GLN 22 -10.388 3.882 8.046 175 HB2 GLN 22 HB2 GLN 22 -11.151 6.197 8.727 176 HB3 GLN 22 HB1 GLN 22 -10.281 5.983 10.224 177 HG2 GLN 22 HG2 GLN 22 -8.935 5.991 7.521 178 HG3 GLN 22 HG1 GLN 22 -9.188 7.442 8.484 179 HE21 GLN 22 HE21 GLN 22 -7.337 4.583 8.022 180 HE22 GLN 22 HE22 GLN 22 -6.156 4.920 9.233 181 H LYS 23 HN LYS 23 -8.809 2.470 8.238 182 HA LYS 23 HA LYS 23 -7.451 2.184 10.838 183 HB2 LYS 23 HB2 LYS 23 -8.069 -0.068 8.910 184 HB3 LYS 23 HB1 LYS 23 -7.177 -0.220 10.408 185 HG2 LYS 23 HG2 LYS 23 -10.103 0.465 10.124 186 HG3 LYS 23 HG1 LYS 23 -9.441 -1.094 10.604 187 HD2 LYS 23 HD2 LYS 23 -9.158 1.503 12.124 188 HD3 LYS 23 HD1 LYS 23 -10.267 0.196 12.515 189 HE2 LYS 23 HE2 LYS 23 -8.405 -1.303 12.942 190 HE3 LYS 23 HE1 LYS 23 -7.262 -0.059 12.465 191 HZ1 LYS 23 HZ1 LYS 23 -8.018 1.301 14.322 192 HZ2 LYS 23 HZ2 LYS 23 -7.450 -0.173 14.874 193 HZ3 LYS 23 HZ3 LYS 23 -9.111 0.114 14.789 194 H ILE 24 HN ILE 24 -5.214 1.429 10.616 195 HA ILE 24 HA ILE 24 -4.095 2.056 7.990 196 HB ILE 24 HB ILE 24 -2.677 2.131 10.701 197 HG12 ILE 24 HG12 ILE 24 -2.264 4.593 10.067 198 HG13 ILE 24 HG11 ILE 24 -3.480 4.377 8.824 199 HG21 ILE 24 HG21 ILE 24 -1.148 1.323 8.980 200 HG22 ILE 24 HG22 ILE 24 -0.691 2.950 9.467 201 HG23 ILE 24 HG23 ILE 24 -1.554 2.695 7.956 202 HD11 ILE 24 HD11 ILE 24 -3.905 4.117 11.798 203 HD12 ILE 24 HD12 ILE 24 -5.138 3.863 10.569 204 HD13 ILE 24 HD13 ILE 24 -4.425 5.462 10.781 205 H TYR 25 HN TYR 25 -3.534 0.376 6.930 206 HA TYR 25 HA TYR 25 -3.025 -2.160 8.369 207 HB2 TYR 25 HB2 TYR 25 -3.815 -1.895 5.477 208 HB3 TYR 25 HB1 TYR 25 -3.885 -3.319 6.489 209 HD1 TYR 25 HD1 TYR 25 -5.810 -3.545 8.137 210 HD2 TYR 25 HD2 TYR 25 -5.604 -0.367 5.307 211 HE1 TYR 25 HE1 TYR 25 -8.231 -3.167 8.377 212 HE2 TYR 25 HE2 TYR 25 -8.015 0.024 5.560 213 HH TYR 25 HH TYR 25 -9.910 -1.409 8.010 214 H GLU 26 HN GLU 26 -1.310 -3.502 7.231 215 HA GLU 26 HA GLU 26 0.524 -1.867 5.689 216 HB2 GLU 26 HB2 GLU 26 0.950 -4.651 6.785 217 HB3 GLU 26 HB1 GLU 26 2.161 -3.567 6.138 218 HG2 GLU 26 HG2 GLU 26 2.527 -3.410 8.424 219 HG3 GLU 26 HG1 GLU 26 1.468 -2.044 8.047 220 H ALA 27 HN ALA 27 0.866 -2.314 3.611 221 HA ALA 27 HA ALA 27 -0.414 -4.674 2.451 222 HB1 ALA 27 HB1 ALA 27 -1.968 -2.774 2.253 223 HB2 ALA 27 HB2 ALA 27 -1.396 -3.366 0.700 224 HB3 ALA 27 HB3 ALA 27 -0.722 -1.881 1.377 225 H SER 28 HN SER 28 0.321 -5.103 0.309 226 HA SER 28 HA SER 28 3.009 -4.043 -0.205 227 HB2 SER 28 HB2 SER 28 1.913 -6.744 -1.019 228 HB3 SER 28 HB1 SER 28 3.596 -6.185 -1.036 229 HG SER 28 HG SER 28 2.618 -5.803 1.369 230 H ILE 29 HN ILE 29 3.407 -3.309 -2.254 231 HA ILE 29 HA ILE 29 1.106 -2.446 -3.744 232 HB ILE 29 HB ILE 29 4.012 -2.127 -4.481 233 HG12 ILE 29 HG12 ILE 29 3.660 -1.172 -2.257 234 HG13 ILE 29 HG11 ILE 29 3.902 0.110 -3.431 235 HG21 ILE 29 HG21 ILE 29 2.567 -1.709 -6.337 236 HG22 ILE 29 HG22 ILE 29 3.208 -0.162 -5.754 237 HG23 ILE 29 HG23 ILE 29 1.552 -0.631 -5.373 238 HD11 ILE 29 HD11 ILE 29 2.182 0.739 -1.892 239 HD12 ILE 29 HD12 ILE 29 1.316 -0.761 -2.179 240 HD13 ILE 29 HD13 ILE 29 1.441 0.446 -3.469 241 H LYS 30 HN LYS 30 0.258 -3.299 -5.515 242 HA LYS 30 HA LYS 30 1.583 -5.549 -6.830 243 HB2 LYS 30 HB2 LYS 30 -0.770 -5.829 -6.044 244 HB3 LYS 30 HB1 LYS 30 -1.256 -4.512 -7.081 245 HG2 LYS 30 HG2 LYS 30 -1.861 -6.472 -8.241 246 HG3 LYS 30 HG1 LYS 30 -0.404 -5.883 -9.042 247 HD2 LYS 30 HD2 LYS 30 -0.156 -8.241 -8.801 248 HD3 LYS 30 HD1 LYS 30 0.897 -7.504 -7.595 249 HE2 LYS 30 HE2 LYS 30 -0.263 -9.314 -6.509 250 HE3 LYS 30 HE1 LYS 30 -0.963 -7.795 -5.938 251 HZ1 LYS 30 HZ1 LYS 30 -2.168 -9.647 -7.925 252 HZ2 LYS 30 HZ2 LYS 30 -2.722 -8.109 -7.625 253 HZ3 LYS 30 HZ3 LYS 30 -2.765 -9.228 -6.391 254 H SER 31 HN SER 31 -0.348 -2.641 -7.775 255 HA SER 31 HA SER 31 1.490 -1.958 -9.869 256 HB2 SER 31 HB2 SER 31 -1.335 -2.845 -10.574 257 HB3 SER 31 HB1 SER 31 -0.148 -2.172 -11.691 258 HG SER 31 HG SER 31 1.078 -4.112 -10.529 259 H THR 32 HN THR 32 0.153 -0.017 -11.246 260 HA THR 32 HA THR 32 -1.384 1.567 -9.319 261 HB THR 32 HB THR 32 0.789 2.982 -10.742 262 HG1 THR 32 HG1 THR 32 2.094 1.402 -9.809 263 HG21 THR 32 HG21 THR 32 0.868 4.233 -8.686 264 HG22 THR 32 HG22 THR 32 -0.365 3.181 -7.995 265 HG23 THR 32 HG23 THR 32 -0.752 4.203 -9.394 266 H GLU 33 HN GLU 33 -2.723 3.055 -10.356 267 HA GLU 33 HA GLU 33 -2.422 3.560 -13.225 268 HB2 GLU 33 HB2 GLU 33 -4.904 2.484 -11.943 269 HB3 GLU 33 HB1 GLU 33 -4.971 3.466 -13.386 270 HG2 GLU 33 HG2 GLU 33 -3.436 1.797 -14.435 271 HG3 GLU 33 HG1 GLU 33 -3.764 0.755 -13.035 272 H ILE 34 HN ILE 34 -3.539 5.402 -13.931 273 HA ILE 34 HA ILE 34 -4.368 7.163 -11.762 274 HB ILE 34 HB ILE 34 -3.153 7.869 -14.444 275 HG12 ILE 34 HG12 ILE 34 -1.526 9.245 -13.067 276 HG13 ILE 34 HG11 ILE 34 -2.255 8.540 -11.636 277 HG21 ILE 34 HG21 ILE 34 -4.984 9.404 -14.126 278 HG22 ILE 34 HG22 ILE 34 -3.460 10.269 -13.915 279 HG23 ILE 34 HG23 ILE 34 -4.410 9.802 -12.505 280 HD11 ILE 34 HD11 ILE 34 -0.161 7.463 -12.183 281 HD12 ILE 34 HD12 ILE 34 -0.775 7.051 -13.788 282 HD13 ILE 34 HD13 ILE 34 -1.512 6.342 -12.348 283 H ASP 35 HN ASP 35 -6.415 7.892 -11.919 284 HA ASP 35 HA ASP 35 -7.922 7.640 -14.420 285 HB2 ASP 35 HB2 ASP 35 -8.354 5.523 -13.195 286 HB3 ASP 35 HB1 ASP 35 -8.853 6.454 -11.787 287 H ASP 36 HN ASP 36 -8.978 9.460 -14.720 288 HA ASP 36 HA ASP 36 -10.006 11.461 -14.458 289 HB2 ASP 36 HB2 ASP 36 -11.650 9.958 -13.244 290 HB3 ASP 36 HB1 ASP 36 -10.875 10.421 -11.740 291 H GLY 37 HN GLY 37 -7.273 11.024 -13.357 292 HA2 GLY 37 HA2 GLY 37 -5.797 12.834 -12.830 293 HA3 GLY 37 HA1 GLY 37 -7.116 13.604 -11.963 294 H GLU 38 HN GLU 38 -7.365 10.547 -10.874 295 HA GLU 38 HA GLU 38 -5.516 11.101 -8.638 296 HB2 GLU 38 HB2 GLU 38 -7.019 9.784 -7.224 297 HB3 GLU 38 HB1 GLU 38 -7.934 11.062 -7.999 298 HG2 GLU 38 HG2 GLU 38 -8.699 9.329 -9.693 299 HG3 GLU 38 HG1 GLU 38 -7.931 8.123 -8.670 300 H VAL 39 HN VAL 39 -4.321 9.408 -7.783 301 HA VAL 39 HA VAL 39 -4.005 7.286 -9.692 302 HB VAL 39 HB VAL 39 -2.062 8.768 -9.694 303 HG11 VAL 39 HG11 VAL 39 -2.186 9.688 -7.547 304 HG12 VAL 39 HG12 VAL 39 -0.583 8.953 -7.750 305 HG13 VAL 39 HG13 VAL 39 -1.836 8.135 -6.797 306 HG21 VAL 39 HG21 VAL 39 -1.694 6.383 -10.162 307 HG22 VAL 39 HG22 VAL 39 -1.427 6.059 -8.467 308 HG23 VAL 39 HG23 VAL 39 -0.285 7.051 -9.362 309 H LEU 40 HN LEU 40 -4.301 5.475 -9.240 310 HA LEU 40 HA LEU 40 -4.910 4.813 -6.486 311 HB2 LEU 40 HB2 LEU 40 -5.918 3.532 -9.016 312 HB3 LEU 40 HB1 LEU 40 -6.431 3.159 -7.372 313 HG LEU 40 HG LEU 40 -8.228 4.434 -8.206 314 HD11 LEU 40 HD11 LEU 40 -8.256 6.475 -7.074 315 HD12 LEU 40 HD12 LEU 40 -6.487 6.426 -6.947 316 HD13 LEU 40 HD13 LEU 40 -7.448 5.226 -6.111 317 HD21 LEU 40 HD21 LEU 40 -7.052 5.023 -10.313 318 HD22 LEU 40 HD22 LEU 40 -6.310 6.380 -9.451 319 HD23 LEU 40 HD23 LEU 40 -8.074 6.283 -9.636 320 H TYR 41 HN TYR 41 -3.869 3.290 -5.669 321 HA TYR 41 HA TYR 41 -1.905 1.786 -7.233 322 HB2 TYR 41 HB2 TYR 41 -2.032 2.532 -4.310 323 HB3 TYR 41 HB1 TYR 41 -0.889 1.367 -4.956 324 HD1 TYR 41 HD2 TYR 41 -1.970 4.941 -5.439 325 HD2 TYR 41 HD1 TYR 41 1.207 2.105 -5.587 326 HE1 TYR 41 HE2 TYR 41 -0.384 6.742 -5.904 327 HE2 TYR 41 HE1 TYR 41 2.799 3.919 -6.055 328 HH TYR 41 HH TYR 41 1.981 7.234 -5.739 329 H LEU 42 HN LEU 42 -1.866 -0.374 -6.909 330 HA LEU 42 HA LEU 42 -4.341 -1.488 -5.797 331 HB2 LEU 42 HB2 LEU 42 -3.355 -1.710 -8.285 332 HB3 LEU 42 HB1 LEU 42 -2.416 -2.975 -7.542 333 HG LEU 42 HG LEU 42 -5.381 -2.823 -7.921 334 HD11 LEU 42 HD11 LEU 42 -5.067 -4.913 -9.103 335 HD12 LEU 42 HD12 LEU 42 -3.336 -4.828 -8.791 336 HD13 LEU 42 HD13 LEU 42 -4.109 -3.609 -9.807 337 HD21 LEU 42 HD21 LEU 42 -4.995 -3.660 -5.663 338 HD22 LEU 42 HD22 LEU 42 -3.891 -4.882 -6.321 339 HD23 LEU 42 HD23 LEU 42 -5.620 -4.875 -6.771 340 H VAL 43 HN VAL 43 -3.927 -2.236 -3.798 341 HA VAL 43 HA VAL 43 -1.236 -3.294 -3.137 342 HB VAL 43 HB VAL 43 -1.319 -2.181 -1.008 343 HG11 VAL 43 HG11 VAL 43 -1.268 0.151 -1.590 344 HG12 VAL 43 HG12 VAL 43 -2.163 -0.188 -3.066 345 HG13 VAL 43 HG13 VAL 43 -0.538 -0.825 -2.873 346 HG21 VAL 43 HG21 VAL 43 -3.718 -2.397 -0.521 347 HG22 VAL 43 HG22 VAL 43 -4.082 -1.190 -1.752 348 HG23 VAL 43 HG23 VAL 43 -3.191 -0.726 -0.307 349 H HIS 44 HN HIS 44 -1.271 -4.998 -1.650 350 HA HIS 44 HA HIS 44 -3.932 -5.753 -0.749 351 HB2 HIS 44 HB2 HIS 44 -3.433 -8.203 -0.876 352 HB3 HIS 44 HB1 HIS 44 -3.556 -7.417 -2.430 353 HD1 HIS 44 HD1 HIS 44 -2.126 -8.595 -3.889 354 HD2 HIS 44 HD2 HIS 44 -0.305 -8.120 -0.211 355 HE1 HIS 44 HE1 HIS 44 0.136 -9.719 -4.097 356 HE2 HIS 44 HE2 HIS 44 1.025 -9.687 -1.761 357 H TYR 45 HN TYR 45 -4.247 -6.355 1.232 358 HA TYR 45 HA TYR 45 -2.111 -5.615 3.042 359 HB2 TYR 45 HB2 TYR 45 -4.919 -6.505 3.708 360 HB3 TYR 45 HB1 TYR 45 -3.813 -5.555 4.701 361 HD1 TYR 45 HD1 TYR 45 -3.183 -3.232 3.829 362 HD2 TYR 45 HD2 TYR 45 -6.498 -5.436 2.361 363 HE1 TYR 45 HE1 TYR 45 -4.171 -1.156 2.960 364 HE2 TYR 45 HE2 TYR 45 -7.502 -3.368 1.494 365 HH TYR 45 HH TYR 45 -7.381 -0.951 1.902 366 H TYR 46 HN TYR 46 -0.704 -7.219 3.355 367 HA TYR 46 HA TYR 46 -1.309 -9.880 2.792 368 HB2 TYR 46 HB2 TYR 46 0.970 -10.434 3.698 369 HB3 TYR 46 HB1 TYR 46 0.932 -9.226 2.430 370 HD1 TYR 46 HD2 TYR 46 1.323 -6.831 3.011 371 HD2 TYR 46 HD1 TYR 46 1.833 -9.939 5.863 372 HE1 TYR 46 HE2 TYR 46 2.656 -5.318 4.408 373 HE2 TYR 46 HE1 TYR 46 3.173 -8.429 7.273 374 HH TYR 46 HH TYR 46 3.231 -5.124 6.839 375 H GLY 47 HN GLY 47 -1.256 -8.293 5.953 376 HA2 GLY 47 HA2 GLY 47 -2.016 -10.899 7.068 377 HA3 GLY 47 HA1 GLY 47 -1.354 -9.563 7.992 378 H TRP 48 HN TRP 48 -3.757 -8.864 5.635 379 HA TRP 48 HA TRP 48 -5.800 -8.709 7.759 380 HB2 TRP 48 HB2 TRP 48 -5.263 -6.470 5.786 381 HB3 TRP 48 HB1 TRP 48 -6.561 -6.511 6.961 382 HD1 TRP 48 HD1 TRP 48 -2.782 -5.986 6.707 383 HE1 TRP 48 HE1 TRP 48 -1.945 -4.894 8.875 384 HE3 TRP 48 HE3 TRP 48 -7.096 -6.235 9.437 385 HZ2 TRP 48 HZ2 TRP 48 -2.989 -4.209 11.409 386 HZ3 TRP 48 HZ3 TRP 48 -7.096 -5.333 11.720 387 HH2 TRP 48 HH2 TRP 48 -5.084 -4.342 12.689 388 H ASN 49 HN ASN 49 -5.306 -8.257 4.268 389 HA ASN 49 HA ASN 49 -7.380 -10.103 3.605 390 HB2 ASN 49 HB2 ASN 49 -8.745 -8.080 4.064 391 HB3 ASN 49 HB1 ASN 49 -7.765 -7.161 2.931 392 HD21 ASN 49 HD21 ASN 49 -9.613 -6.667 1.710 393 HD22 ASN 49 HD22 ASN 49 -10.385 -7.829 0.703 394 H VAL 50 HN VAL 50 -5.816 -11.118 2.502 395 HA VAL 50 HA VAL 50 -4.183 -9.621 0.660 396 HB VAL 50 HB VAL 50 -3.072 -11.212 2.128 397 HG11 VAL 50 HG11 VAL 50 -4.619 -13.362 0.713 398 HG12 VAL 50 HG12 VAL 50 -4.784 -12.879 2.400 399 HG13 VAL 50 HG13 VAL 50 -3.290 -13.632 1.840 400 HG21 VAL 50 HG21 VAL 50 -2.001 -10.725 0.004 401 HG22 VAL 50 HG22 VAL 50 -2.908 -12.019 -0.775 402 HG23 VAL 50 HG23 VAL 50 -1.706 -12.405 0.457 403 H ARG 51 HN ARG 51 -6.789 -11.956 0.480 404 HA ARG 51 HA ARG 51 -6.218 -12.652 -2.239 405 HB2 ARG 51 HB2 ARG 51 -8.440 -13.422 -0.408 406 HB3 ARG 51 HB1 ARG 51 -8.472 -13.842 -2.109 407 HG2 ARG 51 HG2 ARG 51 -6.257 -14.973 -1.769 408 HG3 ARG 51 HG1 ARG 51 -6.466 -14.701 -0.037 409 HD2 ARG 51 HD2 ARG 51 -7.220 -16.946 -0.775 410 HD3 ARG 51 HD1 ARG 51 -8.504 -15.990 -0.032 411 HE ARG 51 HE ARG 51 -8.542 -15.539 -2.789 412 HH11 ARG 51 HH11 ARG 51 -9.144 -18.268 -0.614 413 HH12 ARG 51 HH12 ARG 51 -10.403 -18.917 -1.541 414 HH21 ARG 51 HH21 ARG 51 -10.328 -16.420 -4.057 415 HH22 ARG 51 HH22 ARG 51 -11.086 -17.853 -3.559 416 H TYR 52 HN TYR 52 -7.570 -9.902 -1.192 417 HA TYR 52 HA TYR 52 -9.400 -9.924 -3.440 418 HB2 TYR 52 HB2 TYR 52 -9.431 -8.279 -0.974 419 HB3 TYR 52 HB1 TYR 52 -10.182 -7.641 -2.441 420 HD1 TYR 52 HD2 TYR 52 -10.254 -10.432 -0.022 421 HD2 TYR 52 HD1 TYR 52 -12.209 -8.504 -3.254 422 HE1 TYR 52 HE2 TYR 52 -12.227 -11.819 0.358 423 HE2 TYR 52 HE1 TYR 52 -14.187 -9.882 -2.898 424 HH TYR 52 HH TYR 52 -14.671 -11.763 -0.103 425 H ASP 53 HN ASP 53 -6.701 -8.086 -2.228 426 HA ASP 53 HA ASP 53 -5.373 -6.515 -3.147 427 HB2 ASP 53 HB2 ASP 53 -6.392 -7.672 -5.788 428 HB3 ASP 53 HB1 ASP 53 -5.130 -6.462 -5.673 429 H GLU 54 HN GLU 54 -5.879 -4.461 -2.796 430 HA GLU 54 HA GLU 54 -8.470 -3.513 -3.811 431 HB2 GLU 54 HB2 GLU 54 -8.505 -4.106 -1.396 432 HB3 GLU 54 HB1 GLU 54 -7.188 -2.984 -1.117 433 HG2 GLU 54 HG2 GLU 54 -9.315 -2.051 -0.415 434 HG3 GLU 54 HG1 GLU 54 -8.627 -1.125 -1.746 435 H TRP 55 HN TRP 55 -8.649 -1.284 -4.107 436 HA TRP 55 HA TRP 55 -6.119 -0.102 -4.994 437 HB2 TRP 55 HB2 TRP 55 -8.953 0.573 -5.730 438 HB3 TRP 55 HB1 TRP 55 -7.528 1.376 -6.359 439 HD1 TRP 55 HD1 TRP 55 -9.184 -2.132 -6.423 440 HE1 TRP 55 HE1 TRP 55 -8.543 -3.265 -8.649 441 HE3 TRP 55 HE3 TRP 55 -5.903 1.357 -8.217 442 HZ2 TRP 55 HZ2 TRP 55 -6.861 -2.761 -10.850 443 HZ3 TRP 55 HZ3 TRP 55 -4.816 0.948 -10.377 444 HH2 TRP 55 HH2 TRP 55 -5.285 -1.064 -11.665 445 H VAL 56 HN VAL 56 -5.321 1.546 -3.990 446 HA VAL 56 HA VAL 56 -7.037 3.257 -2.339 447 HB VAL 56 HB VAL 56 -5.343 3.393 -0.595 448 HG11 VAL 56 HG11 VAL 56 -5.476 1.095 0.298 449 HG12 VAL 56 HG12 VAL 56 -5.951 0.527 -1.294 450 HG13 VAL 56 HG13 VAL 56 -7.002 1.625 -0.405 451 HG21 VAL 56 HG21 VAL 56 -3.315 1.973 -0.618 452 HG22 VAL 56 HG22 VAL 56 -3.329 3.104 -1.963 453 HG23 VAL 56 HG23 VAL 56 -3.738 1.410 -2.233 454 H LYS 57 HN LYS 57 -5.813 5.393 -1.882 455 HA LYS 57 HA LYS 57 -4.583 6.086 -4.444 456 HB2 LYS 57 HB2 LYS 57 -5.809 7.934 -2.393 457 HB3 LYS 57 HB1 LYS 57 -5.155 8.388 -3.965 458 HG2 LYS 57 HG2 LYS 57 -6.727 7.132 -5.098 459 HG3 LYS 57 HG1 LYS 57 -7.393 6.460 -3.586 460 HD2 LYS 57 HD2 LYS 57 -7.893 8.891 -2.982 461 HD3 LYS 57 HD1 LYS 57 -7.560 9.254 -4.681 462 HE2 LYS 57 HE2 LYS 57 -9.254 7.570 -5.317 463 HE3 LYS 57 HE1 LYS 57 -9.651 7.367 -3.613 464 HZ1 LYS 57 HZ1 LYS 57 -10.180 9.831 -3.635 465 HZ2 LYS 57 HZ2 LYS 57 -11.194 8.806 -4.510 466 HZ3 LYS 57 HZ3 LYS 57 -10.050 9.721 -5.335 467 H ALA 58 HN ALA 58 -3.076 7.989 -4.270 468 HA ALA 58 HA ALA 58 -0.705 7.092 -3.116 469 HB1 ALA 58 HB1 ALA 58 -0.864 8.469 -5.064 470 HB2 ALA 58 HB2 ALA 58 0.187 9.231 -3.857 471 HB3 ALA 58 HB3 ALA 58 -1.467 9.812 -4.109 472 H ASP 59 HN ASP 59 -2.928 9.620 -2.117 473 HA ASP 59 HA ASP 59 -1.534 10.637 0.114 474 HB2 ASP 59 HB2 ASP 59 -3.406 11.878 -0.721 475 HB3 ASP 59 HB1 ASP 59 -4.494 10.512 -0.494 476 H ARG 60 HN ARG 60 -3.255 7.737 -0.327 477 HA ARG 60 HA ARG 60 -3.858 7.360 2.487 478 HB2 ARG 60 HB2 ARG 60 -4.324 5.418 0.228 479 HB3 ARG 60 HB1 ARG 60 -5.111 5.439 1.801 480 HG2 ARG 60 HG2 ARG 60 -5.484 7.335 -0.499 481 HG3 ARG 60 HG1 ARG 60 -6.672 6.238 0.202 482 HD2 ARG 60 HD2 ARG 60 -5.399 8.486 1.711 483 HD3 ARG 60 HD1 ARG 60 -6.908 8.682 0.781 484 HE ARG 60 HE ARG 60 -7.443 6.666 2.433 485 HH11 ARG 60 HH11 ARG 60 -5.840 9.784 3.054 486 HH12 ARG 60 HH12 ARG 60 -6.523 9.988 4.594 487 HH21 ARG 60 HH21 ARG 60 -8.425 6.982 4.552 488 HH22 ARG 60 HH22 ARG 60 -8.023 8.356 5.482 489 H ILE 61 HN ILE 61 -1.131 6.999 0.696 490 HA ILE 61 HA ILE 61 -0.467 4.484 2.039 491 HB ILE 61 HB ILE 61 0.774 5.648 -0.472 492 HG12 ILE 61 HG12 ILE 61 -1.137 3.340 -0.109 493 HG13 ILE 61 HG11 ILE 61 -1.547 4.912 -0.783 494 HG21 ILE 61 HG21 ILE 61 2.315 4.239 0.843 495 HG22 ILE 61 HG22 ILE 61 1.839 3.453 -0.669 496 HG23 ILE 61 HG23 ILE 61 1.092 2.964 0.853 497 HD11 ILE 61 HD11 ILE 61 -1.250 3.236 -2.483 498 HD12 ILE 61 HD12 ILE 61 0.406 2.954 -1.936 499 HD13 ILE 61 HD13 ILE 61 -0.049 4.518 -2.633 500 H ILE 62 HN ILE 62 1.360 4.338 3.212 501 HA ILE 62 HA ILE 62 2.848 6.814 3.727 502 HB ILE 62 HB ILE 62 2.615 4.280 5.403 503 HG12 ILE 62 HG12 ILE 62 1.666 5.823 7.180 504 HG13 ILE 62 HG11 ILE 62 1.523 7.067 5.941 505 HG21 ILE 62 HG21 ILE 62 4.195 6.768 6.004 506 HG22 ILE 62 HG22 ILE 62 4.835 5.184 5.581 507 HG23 ILE 62 HG23 ILE 62 3.971 5.405 7.108 508 HD11 ILE 62 HD11 ILE 62 0.098 4.409 6.025 509 HD12 ILE 62 HD12 ILE 62 -0.060 5.604 4.740 510 HD13 ILE 62 HD13 ILE 62 -0.605 5.988 6.375 511 H TRP 63 HN TRP 63 4.613 6.826 2.494 512 HA TRP 63 HA TRP 63 5.817 4.334 1.653 513 HB2 TRP 63 HB2 TRP 63 6.370 7.202 0.853 514 HB3 TRP 63 HB1 TRP 63 7.209 5.806 0.183 515 HD1 TRP 63 HD1 TRP 63 4.059 7.802 -0.112 516 HE1 TRP 63 HE1 TRP 63 2.589 6.855 -1.967 517 HE3 TRP 63 HE3 TRP 63 6.605 3.468 -0.958 518 HZ2 TRP 63 HZ2 TRP 63 2.518 4.522 -3.601 519 HZ3 TRP 63 HZ3 TRP 63 5.775 1.923 -2.681 520 HH2 TRP 63 HH2 TRP 63 3.776 2.439 -3.975 521 HA PRO 64 HA PRO 64 9.244 4.533 4.452 522 HB2 PRO 64 HB2 PRO 64 11.138 4.003 2.253 523 HB3 PRO 64 HB1 PRO 64 10.791 3.025 3.680 524 HG2 PRO 64 HG2 PRO 64 9.979 2.259 1.246 525 HG3 PRO 64 HG1 PRO 64 8.995 1.974 2.692 526 HD2 PRO 64 HD2 PRO 64 8.704 4.097 0.601 527 HD3 PRO 64 HD1 PRO 64 7.452 3.112 1.394 528 H LEU 65 HN LEU 65 9.900 6.280 5.224 529 HA LEU 65 HA LEU 65 11.642 8.176 3.912 530 HB2 LEU 65 HB2 LEU 65 9.129 8.803 3.508 531 HB3 LEU 65 HB1 LEU 65 8.994 8.910 5.238 532 HG LEU 65 HG LEU 65 9.160 11.083 3.951 533 HD11 LEU 65 HD11 LEU 65 11.140 10.603 6.160 534 HD12 LEU 65 HD12 LEU 65 9.459 11.109 6.307 535 HD13 LEU 65 HD13 LEU 65 10.640 12.188 5.567 536 HD21 LEU 65 HD21 LEU 65 10.878 10.430 2.376 537 HD22 LEU 65 HD22 LEU 65 12.043 10.255 3.688 538 HD23 LEU 65 HD23 LEU 65 11.385 11.847 3.298 539 H ASP 66 HN ASP 66 12.575 9.456 5.732 540 HA ASP 66 HA ASP 66 13.016 7.497 7.698 541 HB2 ASP 66 HB2 ASP 66 14.868 8.741 6.871 542 HB3 ASP 66 HB1 ASP 66 14.215 10.235 7.525 543 H LYS 67 HN LYS 67 11.331 7.154 8.709 544 HA LYS 67 HA LYS 67 10.336 9.054 10.658 545 HB2 LYS 67 HB2 LYS 67 8.658 7.418 11.272 546 HB3 LYS 67 HB1 LYS 67 8.752 7.433 9.528 547 HG2 LYS 67 HG2 LYS 67 10.045 5.381 11.308 548 HG3 LYS 67 HG1 LYS 67 8.476 5.167 10.527 549 HD2 LYS 67 HD2 LYS 67 9.675 5.447 8.320 550 HD3 LYS 67 HD1 LYS 67 11.170 5.480 9.258 551 HE2 LYS 67 HE2 LYS 67 10.811 3.242 8.341 552 HE3 LYS 67 HE1 LYS 67 10.744 3.247 10.098 553 HZ1 LYS 67 HZ1 LYS 67 8.391 3.183 8.283 554 HZ2 LYS 67 HZ2 LYS 67 8.338 3.178 9.975 555 HZ3 LYS 67 HZ3 LYS 67 9.001 1.885 9.163 556 H GLY 68 HN GLY 68 12.997 7.538 10.347 557 HA2 GLY 68 HA2 GLY 68 14.549 7.463 12.148 558 HA3 GLY 68 HA1 GLY 68 13.265 6.774 13.140 559 H LEU 69 HN LEU 69 15.029 6.176 10.148 560 HA LEU 69 HA LEU 69 14.612 3.339 10.407 561 HB2 LEU 69 HB2 LEU 69 16.311 4.980 8.526 562 HB3 LEU 69 HB1 LEU 69 16.453 3.242 8.589 563 HG LEU 69 HG LEU 69 14.023 3.101 7.948 564 HD11 LEU 69 HD11 LEU 69 14.356 6.024 7.404 565 HD12 LEU 69 HD12 LEU 69 13.322 5.313 8.645 566 HD13 LEU 69 HD13 LEU 69 12.968 5.040 6.936 567 HD21 LEU 69 HD21 LEU 69 14.419 3.610 5.590 568 HD22 LEU 69 HD22 LEU 69 15.785 2.765 6.322 569 HD23 LEU 69 HD23 LEU 69 15.872 4.504 6.035 570 H GLU 70 HN GLU 70 16.585 1.901 10.461 571 HA GLU 70 HA GLU 70 18.051 2.813 12.760 572 HB2 GLU 70 HB2 GLU 70 17.021 0.517 12.585 573 HB3 GLU 70 HB1 GLU 70 18.262 0.143 11.393 574 HG2 GLU 70 HG2 GLU 70 19.981 0.564 13.050 575 HG3 GLU 70 HG1 GLU 70 18.736 0.939 14.246 576 H HIS 71 HN HIS 71 19.269 4.341 11.897 577 HA HIS 71 HA HIS 71 21.052 3.853 9.665 578 HB2 HIS 71 HB2 HIS 71 20.830 6.266 11.496 579 HB3 HIS 71 HB1 HIS 71 21.853 6.169 10.078 580 HD1 HIS 71 HD1 HIS 71 20.779 6.864 7.869 581 HD2 HIS 71 HD2 HIS 71 18.021 6.314 10.915 582 HE1 HIS 71 HE1 HIS 71 18.604 7.752 6.988 583 HE2 HIS 71 HE2 HIS 71 16.975 7.488 8.921 584 H HIS 72 HN HIS 72 22.682 2.545 10.130 585 HA HIS 72 HA HIS 72 23.936 2.706 12.745 586 HB2 HIS 72 HB2 HIS 72 23.440 0.472 11.794 587 HB3 HIS 72 HB1 HIS 72 24.528 0.818 10.457 588 HD1 HIS 72 HD1 HIS 72 24.546 -0.082 14.106 589 HD2 HIS 72 HD2 HIS 72 27.251 0.623 11.039 590 HE1 HIS 72 HE1 HIS 72 26.758 -0.885 14.960 591 HE2 HIS 72 HE2 HIS 72 28.363 0.007 13.251 592 H HIS 73 HN HIS 73 24.733 3.289 9.350 593 HA HIS 73 HA HIS 73 27.462 3.907 10.009 594 HB2 HIS 73 HB2 HIS 73 26.740 3.058 7.732 595 HB3 HIS 73 HB1 HIS 73 26.054 4.651 7.431 596 HD1 HIS 73 HD1 HIS 73 27.632 6.269 6.283 597 HD2 HIS 73 HD2 HIS 73 29.666 3.257 8.286 598 HE1 HIS 73 HE1 HIS 73 30.035 6.639 5.791 599 HE2 HIS 73 HE2 HIS 73 31.228 5.022 7.279 600 H HIS 74 HN HIS 74 24.526 5.644 9.549 601 HA HIS 74 HA HIS 74 25.835 8.139 10.344 602 HB2 HIS 74 HB2 HIS 74 24.345 8.299 8.347 603 HB3 HIS 74 HB1 HIS 74 23.031 7.594 9.250 604 HD1 HIS 74 HD1 HIS 74 24.319 10.812 8.167 605 HD2 HIS 74 HD2 HIS 74 22.110 9.465 11.423 606 HE1 HIS 74 HE1 HIS 74 23.151 12.815 9.070 607 HE2 HIS 74 HE2 HIS 74 21.610 11.911 10.813 608 H HIS 75 HN HIS 75 26.199 7.131 12.411 609 HA HIS 75 HA HIS 75 24.021 6.256 14.037 610 HB2 HIS 75 HB2 HIS 75 26.416 5.540 14.350 611 HB3 HIS 75 HB1 HIS 75 26.780 7.162 14.918 612 HD1 HIS 75 HD1 HIS 75 25.118 3.979 15.940 613 HD2 HIS 75 HD2 HIS 75 25.978 7.706 17.546 614 HE1 HIS 75 HE1 HIS 75 24.631 3.776 18.360 615 HE2 HIS 75 HE2 HIS 75 25.419 5.940 19.349 616 H HIS 76 HN HIS 76 25.697 9.199 13.486 617 HA HIS 76 HA HIS 76 23.533 10.815 14.030 618 HB2 HIS 76 HB2 HIS 76 24.166 10.398 16.450 619 HB3 HIS 76 HB1 HIS 76 25.759 11.059 16.103 620 HD1 HIS 76 HD1 HIS 76 25.960 13.619 15.929 621 HD2 HIS 76 HD2 HIS 76 22.068 12.298 16.519 622 HE1 HIS 76 HE1 HIS 76 24.632 15.660 16.446 623 HE2 HIS 76 HE2 HIS 76 22.380 14.790 17.106 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 3.563 -5.685 -26.475 2 H2 GLU 1 HT2 GLU 1 4.751 -6.631 -25.721 3 H3 GLU 1 HT3 GLU 1 5.009 -5.002 -25.932 4 HA GLU 1 HA GLU 1 3.274 -4.480 -24.392 5 HB2 GLU 1 HB2 GLU 1 3.015 -7.496 -24.115 6 HB3 GLU 1 HB1 GLU 1 2.257 -6.329 -23.052 7 HG2 GLU 1 HG2 GLU 1 0.647 -7.239 -24.624 8 HG3 GLU 1 HG1 GLU 1 0.891 -5.522 -24.924 9 H ASP 2 HN ASP 2 4.980 -3.586 -23.325 10 HA ASP 2 HA ASP 2 6.709 -5.467 -21.957 11 HB2 ASP 2 HB2 ASP 2 8.369 -3.657 -21.704 12 HB3 ASP 2 HB1 ASP 2 7.994 -3.991 -23.384 13 H MET 3 HN MET 3 7.520 -4.850 -19.893 14 HA MET 3 HA MET 3 5.418 -4.642 -18.082 15 HB2 MET 3 HB2 MET 3 7.115 -4.659 -16.334 16 HB3 MET 3 HB1 MET 3 7.482 -5.838 -17.578 17 HG2 MET 3 HG2 MET 3 9.164 -4.350 -18.517 18 HG3 MET 3 HG1 MET 3 8.772 -3.133 -17.310 19 HE1 MET 3 HE1 MET 3 11.278 -2.925 -16.584 20 HE2 MET 3 HE2 MET 3 11.761 -4.129 -17.780 21 HE3 MET 3 HE3 MET 3 12.284 -4.289 -16.106 22 H GLU 4 HN GLU 4 4.495 -3.040 -17.059 23 HA GLU 4 HA GLU 4 5.313 -0.341 -17.716 24 HB2 GLU 4 HB2 GLU 4 2.834 -1.415 -16.377 25 HB3 GLU 4 HB1 GLU 4 3.130 0.288 -16.689 26 HG2 GLU 4 HG2 GLU 4 3.233 -0.171 -19.083 27 HG3 GLU 4 HG1 GLU 4 2.923 -1.878 -18.766 28 HA PRO 5 HA PRO 5 7.405 -0.141 -13.817 29 HB2 PRO 5 HB2 PRO 5 7.377 2.778 -14.109 30 HB3 PRO 5 HB1 PRO 5 8.747 1.669 -14.046 31 HG2 PRO 5 HG2 PRO 5 8.020 2.899 -16.323 32 HG3 PRO 5 HG1 PRO 5 8.702 1.261 -16.286 33 HD2 PRO 5 HD2 PRO 5 5.854 2.113 -16.613 34 HD3 PRO 5 HD1 PRO 5 6.773 0.830 -17.438 35 H CYS 6 HN CYS 6 5.596 -0.745 -12.505 36 HA CYS 6 HA CYS 6 4.215 1.522 -11.283 37 HB2 CYS 6 HB2 CYS 6 3.704 -1.447 -10.857 38 HB3 CYS 6 HB1 CYS 6 2.720 -0.106 -10.302 39 HG CYS 6 HG CYS 6 3.238 -0.691 -13.606 40 H LEU 7 HN LEU 7 3.963 0.968 -8.748 41 HA LEU 7 HA LEU 7 6.742 0.844 -7.867 42 HB2 LEU 7 HB2 LEU 7 4.257 1.838 -6.452 43 HB3 LEU 7 HB1 LEU 7 5.830 1.764 -5.694 44 HG LEU 7 HG LEU 7 6.651 3.320 -7.523 45 HD11 LEU 7 HD11 LEU 7 4.884 3.054 -9.144 46 HD12 LEU 7 HD12 LEU 7 5.032 4.742 -8.657 47 HD13 LEU 7 HD13 LEU 7 3.714 3.758 -8.031 48 HD21 LEU 7 HD21 LEU 7 5.780 5.335 -6.428 49 HD22 LEU 7 HD22 LEU 7 6.286 4.103 -5.273 50 HD23 LEU 7 HD23 LEU 7 4.572 4.350 -5.604 51 H THR 8 HN THR 8 5.470 -1.509 -8.603 52 HA THR 8 HA THR 8 4.365 -3.132 -6.684 53 HB THR 8 HB THR 8 6.241 -3.998 -8.868 54 HG1 THR 8 HG1 THR 8 3.507 -3.605 -9.373 55 HG21 THR 8 HG21 THR 8 4.632 -5.848 -9.039 56 HG22 THR 8 HG22 THR 8 3.653 -5.045 -7.811 57 HG23 THR 8 HG23 THR 8 5.229 -5.710 -7.370 58 H GLY 9 HN GLY 9 5.216 -4.353 -5.056 59 HA2 GLY 9 HA2 GLY 9 6.942 -5.744 -4.127 60 HA3 GLY 9 HA1 GLY 9 8.132 -4.739 -4.936 61 H THR 10 HN THR 10 6.375 -2.428 -3.933 62 HA THR 10 HA THR 10 7.918 -1.971 -1.550 63 HB THR 10 HB THR 10 5.700 -0.238 -2.644 64 HG1 THR 10 HG1 THR 10 6.903 -0.295 -4.411 65 HG21 THR 10 HG21 THR 10 8.293 0.392 -1.212 66 HG22 THR 10 HG22 THR 10 6.688 0.404 -0.479 67 HG23 THR 10 HG23 THR 10 7.094 1.576 -1.735 68 H LYS 11 HN LYS 11 7.146 -2.261 0.506 69 HA LYS 11 HA LYS 11 4.302 -2.708 0.714 70 HB2 LYS 11 HB2 LYS 11 4.642 -4.221 2.620 71 HB3 LYS 11 HB1 LYS 11 5.432 -4.806 1.184 72 HG2 LYS 11 HG2 LYS 11 7.062 -5.265 2.674 73 HG3 LYS 11 HG1 LYS 11 7.526 -3.606 2.311 74 HD2 LYS 11 HD2 LYS 11 7.539 -4.076 4.736 75 HD3 LYS 11 HD1 LYS 11 6.361 -2.830 4.315 76 HE2 LYS 11 HE2 LYS 11 4.546 -4.273 4.628 77 HE3 LYS 11 HE1 LYS 11 5.539 -5.719 4.512 78 HZ1 LYS 11 HZ1 LYS 11 6.525 -5.098 6.655 79 HZ2 LYS 11 HZ2 LYS 11 4.868 -5.362 6.720 80 HZ3 LYS 11 HZ3 LYS 11 5.450 -3.788 6.800 81 H VAL 12 HN VAL 12 3.233 -1.365 1.636 82 HA VAL 12 HA VAL 12 4.585 0.794 3.107 83 HB VAL 12 HB VAL 12 2.906 2.265 2.051 84 HG11 VAL 12 HG11 VAL 12 3.806 2.220 -0.219 85 HG12 VAL 12 HG12 VAL 12 4.403 0.585 0.044 86 HG13 VAL 12 HG13 VAL 12 5.097 1.926 0.948 87 HG21 VAL 12 HG21 VAL 12 1.533 1.406 0.188 88 HG22 VAL 12 HG22 VAL 12 1.108 0.665 1.731 89 HG23 VAL 12 HG23 VAL 12 2.079 -0.231 0.563 90 H LYS 13 HN LYS 13 2.768 2.130 4.195 91 HA LYS 13 HA LYS 13 0.794 0.325 5.355 92 HB2 LYS 13 HB2 LYS 13 2.057 2.818 6.494 93 HB3 LYS 13 HB1 LYS 13 0.500 2.252 7.071 94 HG2 LYS 13 HG2 LYS 13 1.476 0.153 7.719 95 HG3 LYS 13 HG1 LYS 13 3.075 0.678 7.151 96 HD2 LYS 13 HD2 LYS 13 1.420 1.886 9.381 97 HD3 LYS 13 HD1 LYS 13 2.847 0.878 9.593 98 HE2 LYS 13 HE2 LYS 13 4.134 2.587 8.330 99 HE3 LYS 13 HE1 LYS 13 2.687 3.596 8.339 100 HZ1 LYS 13 HZ1 LYS 13 4.121 4.263 10.173 101 HZ2 LYS 13 HZ2 LYS 13 4.211 2.683 10.730 102 HZ3 LYS 13 HZ3 LYS 13 2.758 3.507 10.817 103 H VAL 14 HN VAL 14 -1.218 0.783 5.169 104 HA VAL 14 HA VAL 14 -1.896 3.046 3.457 105 HB VAL 14 HB VAL 14 -3.185 0.304 3.641 106 HG11 VAL 14 HG11 VAL 14 -4.644 1.027 1.863 107 HG12 VAL 14 HG12 VAL 14 -3.941 2.647 1.907 108 HG13 VAL 14 HG13 VAL 14 -4.867 2.046 3.285 109 HG21 VAL 14 HG21 VAL 14 -1.687 1.632 1.372 110 HG22 VAL 14 HG22 VAL 14 -2.463 0.050 1.320 111 HG23 VAL 14 HG23 VAL 14 -1.091 0.323 2.393 112 H LYS 15 HN LYS 15 -3.378 4.366 4.155 113 HA LYS 15 HA LYS 15 -4.635 3.952 6.799 114 HB2 LYS 15 HB2 LYS 15 -3.108 5.911 6.255 115 HB3 LYS 15 HB1 LYS 15 -4.400 6.374 5.115 116 HG2 LYS 15 HG2 LYS 15 -5.965 6.585 6.997 117 HG3 LYS 15 HG1 LYS 15 -4.672 6.170 8.122 118 HD2 LYS 15 HD2 LYS 15 -4.780 8.590 6.311 119 HD3 LYS 15 HD1 LYS 15 -4.979 8.584 8.060 120 HE2 LYS 15 HE2 LYS 15 -2.669 7.816 8.337 121 HE3 LYS 15 HE1 LYS 15 -2.470 7.756 6.587 122 HZ1 LYS 15 HZ1 LYS 15 -2.966 10.207 8.188 123 HZ2 LYS 15 HZ2 LYS 15 -2.791 10.146 6.502 124 HZ3 LYS 15 HZ3 LYS 15 -1.516 9.733 7.500 125 H TYR 16 HN TYR 16 -6.567 3.019 6.301 126 HA TYR 16 HA TYR 16 -8.113 4.189 4.101 127 HB2 TYR 16 HB2 TYR 16 -7.511 1.650 4.233 128 HB3 TYR 16 HB1 TYR 16 -8.687 1.609 5.535 129 HD1 TYR 16 HD1 TYR 16 -11.047 2.505 4.968 130 HD2 TYR 16 HD2 TYR 16 -8.173 1.400 2.084 131 HE1 TYR 16 HE1 TYR 16 -12.863 2.217 3.312 132 HE2 TYR 16 HE2 TYR 16 -9.972 1.110 0.369 133 HH TYR 16 HH TYR 16 -12.509 0.589 0.480 134 H GLY 17 HN GLY 17 -9.121 5.827 5.061 135 HA2 GLY 17 HA2 GLY 17 -10.626 5.199 7.504 136 HA3 GLY 17 HA1 GLY 17 -9.932 6.781 7.166 137 H ARG 18 HN ARG 18 -12.582 4.761 6.793 138 HA ARG 18 HA ARG 18 -13.944 6.851 5.315 139 HB2 ARG 18 HB2 ARG 18 -13.226 5.295 3.606 140 HB3 ARG 18 HB1 ARG 18 -13.852 3.941 4.530 141 HG2 ARG 18 HG2 ARG 18 -16.077 4.633 4.183 142 HG3 ARG 18 HG1 ARG 18 -15.557 6.146 3.421 143 HD2 ARG 18 HD2 ARG 18 -14.514 4.844 1.623 144 HD3 ARG 18 HD1 ARG 18 -15.068 3.354 2.388 145 HE ARG 18 HE ARG 18 -17.336 4.620 2.147 146 HH11 ARG 18 HH11 ARG 18 -14.759 4.189 -0.263 147 HH12 ARG 18 HH12 ARG 18 -15.819 4.324 -1.590 148 HH21 ARG 18 HH21 ARG 18 -18.759 4.760 0.311 149 HH22 ARG 18 HH22 ARG 18 -18.126 4.625 -1.261 150 H GLY 19 HN GLY 19 -15.361 7.425 6.793 151 HA2 GLY 19 HA2 GLY 19 -17.110 7.363 8.258 152 HA3 GLY 19 HA1 GLY 19 -17.561 5.843 7.497 153 H LYS 20 HN LYS 20 -17.409 4.087 8.638 154 HA LYS 20 HA LYS 20 -16.331 4.187 11.343 155 HB2 LYS 20 HB2 LYS 20 -18.570 3.316 11.114 156 HB3 LYS 20 HB1 LYS 20 -18.052 2.185 9.879 157 HG2 LYS 20 HG2 LYS 20 -18.398 1.011 11.954 158 HG3 LYS 20 HG1 LYS 20 -16.686 1.036 11.521 159 HD2 LYS 20 HD2 LYS 20 -16.299 2.832 13.135 160 HD3 LYS 20 HD1 LYS 20 -18.006 2.801 13.586 161 HE2 LYS 20 HE2 LYS 20 -17.770 0.457 14.286 162 HE3 LYS 20 HE1 LYS 20 -16.070 0.504 13.840 163 HZ1 LYS 20 HZ1 LYS 20 -16.381 0.784 16.206 164 HZ2 LYS 20 HZ2 LYS 20 -17.313 2.166 15.966 165 HZ3 LYS 20 HZ3 LYS 20 -15.693 2.164 15.542 166 H THR 21 HN THR 21 -15.594 2.856 8.206 167 HA THR 21 HA THR 21 -13.812 1.012 9.478 168 HB THR 21 HB THR 21 -15.141 0.058 7.653 169 HG1 THR 21 HG1 THR 21 -13.041 -0.731 8.037 170 HG21 THR 21 HG21 THR 21 -15.405 2.026 6.182 171 HG22 THR 21 HG22 THR 21 -14.755 0.657 5.282 172 HG23 THR 21 HG23 THR 21 -13.690 1.960 5.791 173 H GLN 22 HN GLN 22 -12.365 2.267 10.375 174 HA GLN 22 HA GLN 22 -10.441 3.363 8.496 175 HB2 GLN 22 HB2 GLN 22 -11.319 5.251 9.772 176 HB3 GLN 22 HB1 GLN 22 -10.948 4.426 11.287 177 HG2 GLN 22 HG2 GLN 22 -8.597 4.570 10.886 178 HG3 GLN 22 HG1 GLN 22 -8.854 5.135 9.245 179 HE21 GLN 22 HE21 GLN 22 -9.324 7.256 8.894 180 HE22 GLN 22 HE22 GLN 22 -9.207 8.467 10.099 181 H LYS 23 HN LYS 23 -8.734 2.365 8.371 182 HA LYS 23 HA LYS 23 -7.684 0.838 10.593 183 HB2 LYS 23 HB2 LYS 23 -7.557 -1.154 9.014 184 HB3 LYS 23 HB1 LYS 23 -9.120 -0.755 9.713 185 HG2 LYS 23 HG2 LYS 23 -9.595 0.522 7.582 186 HG3 LYS 23 HG1 LYS 23 -8.160 -0.266 6.915 187 HD2 LYS 23 HD2 LYS 23 -9.116 -2.428 7.413 188 HD3 LYS 23 HD1 LYS 23 -10.519 -1.627 8.125 189 HE2 LYS 23 HE2 LYS 23 -11.067 -0.609 5.968 190 HE3 LYS 23 HE1 LYS 23 -9.657 -1.373 5.235 191 HZ1 LYS 23 HZ1 LYS 23 -10.668 -3.541 5.680 192 HZ2 LYS 23 HZ2 LYS 23 -11.679 -2.589 4.729 193 HZ3 LYS 23 HZ3 LYS 23 -12.015 -2.789 6.362 194 H ILE 24 HN ILE 24 -5.508 0.847 10.566 195 HA ILE 24 HA ILE 24 -4.145 1.623 8.096 196 HB ILE 24 HB ILE 24 -3.208 2.021 10.979 197 HG12 ILE 24 HG12 ILE 24 -2.937 4.443 10.248 198 HG13 ILE 24 HG11 ILE 24 -3.775 4.038 8.766 199 HG21 ILE 24 HG21 ILE 24 -1.614 2.497 8.449 200 HG22 ILE 24 HG22 ILE 24 -1.312 1.248 9.646 201 HG23 ILE 24 HG23 ILE 24 -1.107 2.944 10.074 202 HD11 ILE 24 HD11 ILE 24 -5.773 3.459 10.090 203 HD12 ILE 24 HD12 ILE 24 -5.266 5.127 10.349 204 HD13 ILE 24 HD13 ILE 24 -4.908 3.898 11.561 205 H TYR 25 HN TYR 25 -2.993 0.181 7.213 206 HA TYR 25 HA TYR 25 -1.963 -2.064 8.680 207 HB2 TYR 25 HB2 TYR 25 -2.956 -3.588 6.755 208 HB3 TYR 25 HB1 TYR 25 -3.877 -3.243 8.207 209 HD1 TYR 25 HD1 TYR 25 -3.557 -0.726 5.465 210 HD2 TYR 25 HD2 TYR 25 -5.937 -3.809 7.174 211 HE1 TYR 25 HE1 TYR 25 -5.501 -0.020 4.075 212 HE2 TYR 25 HE2 TYR 25 -7.833 -3.109 5.806 213 HH TYR 25 HH TYR 25 -7.527 -1.073 3.193 214 H GLU 26 HN GLU 26 -0.692 -3.532 7.223 215 HA GLU 26 HA GLU 26 0.886 -1.811 5.465 216 HB2 GLU 26 HB2 GLU 26 1.604 -4.375 6.895 217 HB3 GLU 26 HB1 GLU 26 2.678 -3.477 5.834 218 HG2 GLU 26 HG2 GLU 26 2.686 -1.619 7.330 219 HG3 GLU 26 HG1 GLU 26 1.501 -2.400 8.385 220 H ALA 27 HN ALA 27 0.767 -2.157 3.456 221 HA ALA 27 HA ALA 27 -0.132 -4.744 2.417 222 HB1 ALA 27 HB1 ALA 27 -1.026 -2.028 1.474 223 HB2 ALA 27 HB2 ALA 27 -1.998 -3.163 2.406 224 HB3 ALA 27 HB3 ALA 27 -1.484 -3.580 0.769 225 H SER 28 HN SER 28 0.643 -5.201 0.379 226 HA SER 28 HA SER 28 3.008 -3.678 -0.395 227 HB2 SER 28 HB2 SER 28 2.153 -6.460 -1.143 228 HB3 SER 28 HB1 SER 28 3.720 -5.704 -1.482 229 HG SER 28 HG SER 28 3.103 -5.469 1.092 230 H ILE 29 HN ILE 29 3.158 -2.797 -2.327 231 HA ILE 29 HA ILE 29 0.806 -2.278 -3.859 232 HB ILE 29 HB ILE 29 3.684 -1.717 -4.566 233 HG12 ILE 29 HG12 ILE 29 3.280 -0.673 -2.423 234 HG13 ILE 29 HG11 ILE 29 3.301 0.579 -3.655 235 HG21 ILE 29 HG21 ILE 29 2.759 0.092 -5.970 236 HG22 ILE 29 HG22 ILE 29 1.136 -0.518 -5.611 237 HG23 ILE 29 HG23 ILE 29 2.301 -1.541 -6.459 238 HD11 ILE 29 HD11 ILE 29 0.897 -0.594 -2.288 239 HD12 ILE 29 HD12 ILE 29 0.826 0.578 -3.608 240 HD13 ILE 29 HD13 ILE 29 1.567 1.025 -2.068 241 H LYS 30 HN LYS 30 0.088 -3.450 -5.560 242 HA LYS 30 HA LYS 30 2.050 -5.177 -6.871 243 HB2 LYS 30 HB2 LYS 30 0.189 -6.349 -5.591 244 HB3 LYS 30 HB1 LYS 30 -0.913 -5.718 -6.801 245 HG2 LYS 30 HG2 LYS 30 1.472 -7.360 -7.620 246 HG3 LYS 30 HG1 LYS 30 0.005 -8.141 -7.053 247 HD2 LYS 30 HD2 LYS 30 0.051 -6.104 -9.206 248 HD3 LYS 30 HD1 LYS 30 0.272 -7.829 -9.567 249 HE2 LYS 30 HE2 LYS 30 -1.878 -8.335 -8.544 250 HE3 LYS 30 HE1 LYS 30 -2.130 -6.653 -8.118 251 HZ1 LYS 30 HZ1 LYS 30 -2.182 -6.142 -10.488 252 HZ2 LYS 30 HZ2 LYS 30 -3.378 -7.275 -10.054 253 HZ3 LYS 30 HZ3 LYS 30 -1.991 -7.784 -10.852 254 H SER 31 HN SER 31 -0.852 -3.212 -7.538 255 HA SER 31 HA SER 31 0.347 -2.665 -10.162 256 HB2 SER 31 HB2 SER 31 -2.604 -3.169 -9.630 257 HB3 SER 31 HB1 SER 31 -1.906 -2.670 -11.169 258 HG SER 31 HG SER 31 -0.945 -4.570 -11.391 259 H THR 32 HN THR 32 -0.601 -0.582 -11.149 260 HA THR 32 HA THR 32 -1.810 1.233 -9.244 261 HB THR 32 HB THR 32 0.584 2.245 -10.785 262 HG1 THR 32 HG1 THR 32 0.532 0.574 -8.556 263 HG21 THR 32 HG21 THR 32 -0.663 2.990 -8.170 264 HG22 THR 32 HG22 THR 32 -0.950 3.766 -9.726 265 HG23 THR 32 HG23 THR 32 0.651 3.838 -8.983 266 H GLU 33 HN GLU 33 -2.853 2.964 -10.377 267 HA GLU 33 HA GLU 33 -2.562 3.066 -13.272 268 HB2 GLU 33 HB2 GLU 33 -4.917 3.102 -13.686 269 HB3 GLU 33 HB1 GLU 33 -4.490 1.594 -12.856 270 HG2 GLU 33 HG2 GLU 33 -5.416 2.451 -10.795 271 HG3 GLU 33 HG1 GLU 33 -5.711 4.014 -11.561 272 H ILE 34 HN ILE 34 -3.410 5.068 -14.143 273 HA ILE 34 HA ILE 34 -3.746 7.104 -12.067 274 HB ILE 34 HB ILE 34 -2.447 7.523 -14.758 275 HG12 ILE 34 HG12 ILE 34 -0.370 8.185 -13.459 276 HG13 ILE 34 HG11 ILE 34 -1.192 7.663 -12.003 277 HG21 ILE 34 HG21 ILE 34 -2.891 9.482 -12.500 278 HG22 ILE 34 HG22 ILE 34 -3.750 9.447 -14.034 279 HG23 ILE 34 HG23 ILE 34 -2.031 9.846 -14.001 280 HD11 ILE 34 HD11 ILE 34 -0.408 5.881 -14.303 281 HD12 ILE 34 HD12 ILE 34 -1.231 5.416 -12.807 282 HD13 ILE 34 HD13 ILE 34 0.422 6.023 -12.736 283 H ASP 35 HN ASP 35 -5.713 7.684 -12.128 284 HA ASP 35 HA ASP 35 -7.117 8.135 -14.663 285 HB2 ASP 35 HB2 ASP 35 -7.735 5.855 -13.989 286 HB3 ASP 35 HB1 ASP 35 -8.229 6.457 -12.411 287 H ASP 36 HN ASP 36 -8.533 9.809 -14.579 288 HA ASP 36 HA ASP 36 -9.562 11.702 -13.896 289 HB2 ASP 36 HB2 ASP 36 -10.796 10.080 -12.378 290 HB3 ASP 36 HB1 ASP 36 -9.619 10.435 -11.130 291 H GLY 37 HN GLY 37 -6.678 11.252 -13.680 292 HA2 GLY 37 HA2 GLY 37 -4.946 12.761 -13.367 293 HA3 GLY 37 HA1 GLY 37 -6.039 13.772 -12.432 294 H GLU 38 HN GLU 38 -6.352 10.746 -11.148 295 HA GLU 38 HA GLU 38 -4.233 11.288 -9.255 296 HB2 GLU 38 HB2 GLU 38 -5.741 10.172 -7.546 297 HB3 GLU 38 HB1 GLU 38 -6.195 11.775 -8.114 298 HG2 GLU 38 HG2 GLU 38 -7.883 10.743 -9.589 299 HG3 GLU 38 HG1 GLU 38 -7.449 9.160 -8.946 300 H VAL 39 HN VAL 39 -3.193 9.541 -8.249 301 HA VAL 39 HA VAL 39 -3.012 7.231 -10.047 302 HB VAL 39 HB VAL 39 -1.125 7.853 -7.789 303 HG11 VAL 39 HG11 VAL 39 -0.769 6.317 -10.374 304 HG12 VAL 39 HG12 VAL 39 -0.853 5.656 -8.767 305 HG13 VAL 39 HG13 VAL 39 0.511 6.649 -9.227 306 HG21 VAL 39 HG21 VAL 39 -1.170 9.907 -9.043 307 HG22 VAL 39 HG22 VAL 39 -1.003 9.048 -10.561 308 HG23 VAL 39 HG23 VAL 39 0.336 9.065 -9.409 309 H LEU 40 HN LEU 40 -3.927 5.497 -9.440 310 HA LEU 40 HA LEU 40 -4.714 5.106 -6.644 311 HB2 LEU 40 HB2 LEU 40 -5.833 3.924 -9.166 312 HB3 LEU 40 HB1 LEU 40 -6.464 3.694 -7.545 313 HG LEU 40 HG LEU 40 -6.393 6.298 -9.048 314 HD11 LEU 40 HD11 LEU 40 -7.955 4.766 -10.012 315 HD12 LEU 40 HD12 LEU 40 -8.820 6.030 -9.134 316 HD13 LEU 40 HD13 LEU 40 -8.649 4.417 -8.429 317 HD21 LEU 40 HD21 LEU 40 -7.571 5.592 -6.360 318 HD22 LEU 40 HD22 LEU 40 -7.777 7.136 -7.201 319 HD23 LEU 40 HD23 LEU 40 -6.174 6.627 -6.664 320 H TYR 41 HN TYR 41 -4.003 3.378 -5.654 321 HA TYR 41 HA TYR 41 -2.221 1.615 -7.156 322 HB2 TYR 41 HB2 TYR 41 -2.212 2.455 -4.269 323 HB3 TYR 41 HB1 TYR 41 -1.212 1.157 -4.901 324 HD1 TYR 41 HD1 TYR 41 -1.916 4.790 -5.279 325 HD2 TYR 41 HD2 TYR 41 0.839 1.621 -5.867 326 HE1 TYR 41 HE1 TYR 41 -0.187 6.424 -5.872 327 HE2 TYR 41 HE2 TYR 41 2.576 3.227 -6.473 328 HH TYR 41 HH TYR 41 2.701 5.526 -7.382 329 H LEU 42 HN LEU 42 -2.348 -0.512 -6.889 330 HA LEU 42 HA LEU 42 -4.683 -1.503 -5.464 331 HB2 LEU 42 HB2 LEU 42 -4.692 -1.922 -7.906 332 HB3 LEU 42 HB1 LEU 42 -3.113 -2.655 -7.777 333 HG LEU 42 HG LEU 42 -5.104 -4.217 -8.104 334 HD11 LEU 42 HD11 LEU 42 -2.931 -5.010 -7.427 335 HD12 LEU 42 HD12 LEU 42 -4.213 -5.938 -6.642 336 HD13 LEU 42 HD13 LEU 42 -3.321 -4.717 -5.734 337 HD21 LEU 42 HD21 LEU 42 -5.557 -3.555 -5.189 338 HD22 LEU 42 HD22 LEU 42 -6.348 -4.847 -6.080 339 HD23 LEU 42 HD23 LEU 42 -6.640 -3.170 -6.522 340 H VAL 43 HN VAL 43 -4.197 -2.345 -3.660 341 HA VAL 43 HA VAL 43 -1.475 -3.314 -3.174 342 HB VAL 43 HB VAL 43 -1.503 -2.301 -0.997 343 HG11 VAL 43 HG11 VAL 43 -2.640 -0.288 -2.892 344 HG12 VAL 43 HG12 VAL 43 -0.974 -0.817 -2.857 345 HG13 VAL 43 HG13 VAL 43 -1.654 0.049 -1.467 346 HG21 VAL 43 HG21 VAL 43 -3.438 -1.044 -0.103 347 HG22 VAL 43 HG22 VAL 43 -3.855 -2.735 -0.379 348 HG23 VAL 43 HG23 VAL 43 -4.381 -1.501 -1.519 349 H HIS 44 HN HIS 44 -1.336 -5.001 -1.694 350 HA HIS 44 HA HIS 44 -3.726 -5.990 -0.508 351 HB2 HIS 44 HB2 HIS 44 -3.273 -8.405 -1.193 352 HB3 HIS 44 HB1 HIS 44 -4.009 -7.353 -2.381 353 HD1 HIS 44 HD1 HIS 44 -3.283 -8.106 -4.466 354 HD2 HIS 44 HD2 HIS 44 -0.142 -8.108 -1.785 355 HE1 HIS 44 HE1 HIS 44 -1.293 -8.992 -5.763 356 HE2 HIS 44 HE2 HIS 44 0.480 -9.270 -4.002 357 H TYR 45 HN TYR 45 -3.384 -7.699 1.070 358 HA TYR 45 HA TYR 45 -1.091 -6.677 2.567 359 HB2 TYR 45 HB2 TYR 45 -3.493 -8.069 3.719 360 HB3 TYR 45 HB1 TYR 45 -2.412 -6.906 4.486 361 HD1 TYR 45 HD2 TYR 45 -2.670 -4.502 4.044 362 HD2 TYR 45 HD1 TYR 45 -5.314 -7.335 2.308 363 HE1 TYR 45 HE2 TYR 45 -4.210 -2.692 3.409 364 HE2 TYR 45 HE1 TYR 45 -6.847 -5.535 1.670 365 HH TYR 45 HH TYR 45 -7.390 -3.315 2.274 366 H TYR 46 HN TYR 46 0.466 -8.115 2.075 367 HA TYR 46 HA TYR 46 1.725 -9.976 2.040 368 HB2 TYR 46 HB2 TYR 46 0.042 -10.667 4.426 369 HB3 TYR 46 HB1 TYR 46 1.614 -11.368 4.046 370 HD1 TYR 46 HD1 TYR 46 3.618 -9.773 3.951 371 HD2 TYR 46 HD2 TYR 46 -0.120 -8.699 5.672 372 HE1 TYR 46 HE1 TYR 46 4.710 -7.970 5.206 373 HE2 TYR 46 HE2 TYR 46 0.965 -6.899 6.929 374 HH TYR 46 HH TYR 46 3.160 -6.400 7.756 375 H GLY 47 HN GLY 47 1.334 -11.091 0.219 376 HA2 GLY 47 HA2 GLY 47 0.879 -13.264 -0.635 377 HA3 GLY 47 HA1 GLY 47 -0.498 -13.368 0.462 378 H TRP 48 HN TRP 48 -2.053 -13.775 -1.184 379 HA TRP 48 HA TRP 48 -2.508 -11.437 -2.834 380 HB2 TRP 48 HB2 TRP 48 -2.730 -14.338 -3.661 381 HB3 TRP 48 HB1 TRP 48 -3.401 -13.007 -4.594 382 HD1 TRP 48 HD1 TRP 48 -1.659 -11.407 -5.872 383 HE1 TRP 48 HE1 TRP 48 0.805 -11.766 -6.582 384 HE3 TRP 48 HE3 TRP 48 -0.538 -15.446 -2.950 385 HZ2 TRP 48 HZ2 TRP 48 2.914 -13.510 -5.980 386 HZ3 TRP 48 HZ3 TRP 48 1.726 -16.395 -3.073 387 HH2 TRP 48 HH2 TRP 48 3.414 -15.448 -4.560 388 H ASN 49 HN ASN 49 -4.156 -10.535 -1.954 389 HA ASN 49 HA ASN 49 -6.253 -12.071 -0.718 390 HB2 ASN 49 HB2 ASN 49 -6.066 -9.097 -1.295 391 HB3 ASN 49 HB1 ASN 49 -7.360 -9.859 -0.387 392 HD21 ASN 49 HD21 ASN 49 -6.906 -10.628 1.736 393 HD22 ASN 49 HD22 ASN 49 -5.507 -10.090 2.583 394 H VAL 50 HN VAL 50 -8.008 -12.709 -1.717 395 HA VAL 50 HA VAL 50 -8.013 -12.331 -4.539 396 HB VAL 50 HB VAL 50 -9.883 -14.021 -4.562 397 HG11 VAL 50 HG11 VAL 50 -8.379 -15.889 -3.925 398 HG12 VAL 50 HG12 VAL 50 -7.302 -14.724 -3.148 399 HG13 VAL 50 HG13 VAL 50 -7.559 -14.659 -4.884 400 HG21 VAL 50 HG21 VAL 50 -10.281 -15.296 -2.499 401 HG22 VAL 50 HG22 VAL 50 -10.762 -13.610 -2.292 402 HG23 VAL 50 HG23 VAL 50 -9.240 -14.187 -1.610 403 H ARG 51 HN ARG 51 -10.284 -11.563 -1.946 404 HA ARG 51 HA ARG 51 -11.639 -9.803 -3.888 405 HB2 ARG 51 HB2 ARG 51 -13.187 -11.389 -2.848 406 HB3 ARG 51 HB1 ARG 51 -12.694 -10.852 -1.245 407 HG2 ARG 51 HG2 ARG 51 -13.539 -8.597 -1.770 408 HG3 ARG 51 HG1 ARG 51 -14.090 -9.191 -3.327 409 HD2 ARG 51 HD2 ARG 51 -15.614 -10.716 -2.226 410 HD3 ARG 51 HD1 ARG 51 -15.029 -10.186 -0.647 411 HE ARG 51 HE ARG 51 -15.810 -7.929 -2.037 412 HH11 ARG 51 HH11 ARG 51 -17.363 -10.790 -0.634 413 HH12 ARG 51 HH12 ARG 51 -18.884 -10.034 -0.439 414 HH21 ARG 51 HH21 ARG 51 -17.899 -6.896 -1.730 415 HH22 ARG 51 HH22 ARG 51 -19.170 -7.784 -1.048 416 H TYR 52 HN TYR 52 -9.828 -9.921 -0.982 417 HA TYR 52 HA TYR 52 -10.615 -7.275 -0.101 418 HB2 TYR 52 HB2 TYR 52 -10.089 -9.432 1.287 419 HB3 TYR 52 HB1 TYR 52 -8.420 -8.905 1.135 420 HD1 TYR 52 HD2 TYR 52 -11.767 -7.639 2.156 421 HD2 TYR 52 HD1 TYR 52 -7.567 -7.494 2.782 422 HE1 TYR 52 HE2 TYR 52 -12.115 -6.176 4.095 423 HE2 TYR 52 HE1 TYR 52 -7.907 -6.034 4.734 424 HH TYR 52 HH TYR 52 -10.890 -5.658 6.170 425 H ASP 53 HN ASP 53 -8.942 -8.068 -2.547 426 HA ASP 53 HA ASP 53 -6.379 -6.786 -2.384 427 HB2 ASP 53 HB2 ASP 53 -7.401 -8.581 -4.053 428 HB3 ASP 53 HB1 ASP 53 -8.096 -7.189 -4.855 429 H GLU 54 HN GLU 54 -6.172 -4.475 -2.399 430 HA GLU 54 HA GLU 54 -8.768 -3.075 -2.690 431 HB2 GLU 54 HB2 GLU 54 -8.058 -3.561 -0.339 432 HB3 GLU 54 HB1 GLU 54 -6.674 -2.532 -0.590 433 HG2 GLU 54 HG2 GLU 54 -8.407 -1.346 0.609 434 HG3 GLU 54 HG1 GLU 54 -8.156 -0.625 -0.982 435 H TRP 55 HN TRP 55 -8.811 -0.941 -3.096 436 HA TRP 55 HA TRP 55 -6.540 0.036 -4.677 437 HB2 TRP 55 HB2 TRP 55 -9.485 0.468 -4.927 438 HB3 TRP 55 HB1 TRP 55 -8.290 1.356 -5.874 439 HD1 TRP 55 HD1 TRP 55 -9.769 -2.158 -5.467 440 HE1 TRP 55 HE1 TRP 55 -9.230 -3.527 -7.569 441 HE3 TRP 55 HE3 TRP 55 -6.635 1.153 -7.747 442 HZ2 TRP 55 HZ2 TRP 55 -7.622 -3.225 -9.924 443 HZ3 TRP 55 HZ3 TRP 55 -5.616 0.543 -9.894 444 HH2 TRP 55 HH2 TRP 55 -6.090 -1.578 -10.962 445 H VAL 56 HN VAL 56 -5.520 1.586 -3.655 446 HA VAL 56 HA VAL 56 -7.105 3.600 -2.275 447 HB VAL 56 HB VAL 56 -5.320 3.852 -0.540 448 HG11 VAL 56 HG11 VAL 56 -7.398 2.633 -0.076 449 HG12 VAL 56 HG12 VAL 56 -6.041 1.977 0.822 450 HG13 VAL 56 HG13 VAL 56 -6.632 1.135 -0.614 451 HG21 VAL 56 HG21 VAL 56 -3.484 2.768 -1.744 452 HG22 VAL 56 HG22 VAL 56 -4.317 1.218 -1.648 453 HG23 VAL 56 HG23 VAL 56 -3.736 2.003 -0.180 454 H LYS 57 HN LYS 57 -6.218 5.675 -2.225 455 HA LYS 57 HA LYS 57 -4.638 6.165 -4.567 456 HB2 LYS 57 HB2 LYS 57 -6.778 7.295 -4.145 457 HB3 LYS 57 HB1 LYS 57 -6.090 8.006 -2.696 458 HG2 LYS 57 HG2 LYS 57 -4.699 9.415 -3.909 459 HG3 LYS 57 HG1 LYS 57 -4.876 8.465 -5.391 460 HD2 LYS 57 HD2 LYS 57 -6.196 10.484 -5.556 461 HD3 LYS 57 HD1 LYS 57 -7.217 9.042 -5.461 462 HE2 LYS 57 HE2 LYS 57 -7.517 9.497 -3.051 463 HE3 LYS 57 HE1 LYS 57 -6.643 11.016 -3.272 464 HZ1 LYS 57 HZ1 LYS 57 -8.945 11.539 -3.439 465 HZ2 LYS 57 HZ2 LYS 57 -9.223 10.175 -4.370 466 HZ3 LYS 57 HZ3 LYS 57 -8.436 11.452 -5.072 467 H ALA 58 HN ALA 58 -3.012 7.918 -4.406 468 HA ALA 58 HA ALA 58 -0.856 7.016 -2.971 469 HB1 ALA 58 HB1 ALA 58 -1.231 9.719 -4.217 470 HB2 ALA 58 HB2 ALA 58 -0.797 8.253 -5.077 471 HB3 ALA 58 HB3 ALA 58 0.309 8.922 -3.865 472 H ASP 59 HN ASP 59 -3.121 9.567 -2.213 473 HA ASP 59 HA ASP 59 -1.523 10.731 -0.127 474 HB2 ASP 59 HB2 ASP 59 -3.278 12.219 0.380 475 HB3 ASP 59 HB1 ASP 59 -3.483 11.909 -1.329 476 H ARG 60 HN ARG 60 -3.521 7.986 -0.202 477 HA ARG 60 HA ARG 60 -3.861 7.932 2.685 478 HB2 ARG 60 HB2 ARG 60 -4.968 6.344 0.439 479 HB3 ARG 60 HB1 ARG 60 -4.896 5.620 2.037 480 HG2 ARG 60 HG2 ARG 60 -6.145 7.640 2.862 481 HG3 ARG 60 HG1 ARG 60 -6.402 8.059 1.163 482 HD2 ARG 60 HD2 ARG 60 -7.555 5.967 0.769 483 HD3 ARG 60 HD1 ARG 60 -6.998 5.441 2.381 484 HE ARG 60 HE ARG 60 -8.445 6.837 3.410 485 HH11 ARG 60 HH11 ARG 60 -9.129 6.577 -0.075 486 HH12 ARG 60 HH12 ARG 60 -10.659 7.305 -0.006 487 HH21 ARG 60 HH21 ARG 60 -10.685 7.812 3.497 488 HH22 ARG 60 HH22 ARG 60 -11.556 7.990 2.038 489 H ILE 61 HN ILE 61 -1.398 7.288 0.775 490 HA ILE 61 HA ILE 61 -0.787 4.790 2.128 491 HB ILE 61 HB ILE 61 0.434 5.898 -0.423 492 HG12 ILE 61 HG12 ILE 61 -1.613 3.715 0.027 493 HG13 ILE 61 HG11 ILE 61 -1.888 5.261 -0.758 494 HG21 ILE 61 HG21 ILE 61 1.425 3.674 -0.642 495 HG22 ILE 61 HG22 ILE 61 0.704 3.212 0.898 496 HG23 ILE 61 HG23 ILE 61 1.963 4.454 0.852 497 HD11 ILE 61 HD11 ILE 61 -0.142 3.036 -1.746 498 HD12 ILE 61 HD12 ILE 61 -0.347 4.595 -2.553 499 HD13 ILE 61 HD13 ILE 61 -1.718 3.496 -2.386 500 H ILE 62 HN ILE 62 1.122 4.577 3.184 501 HA ILE 62 HA ILE 62 2.657 7.016 3.712 502 HB ILE 62 HB ILE 62 2.391 4.444 5.311 503 HG12 ILE 62 HG12 ILE 62 1.573 6.027 7.144 504 HG13 ILE 62 HG11 ILE 62 1.413 7.248 5.893 505 HG21 ILE 62 HG21 ILE 62 4.658 5.238 5.478 506 HG22 ILE 62 HG22 ILE 62 3.825 5.467 7.015 507 HG23 ILE 62 HG23 ILE 62 4.097 6.843 5.945 508 HD11 ILE 62 HD11 ILE 62 -0.240 5.828 4.755 509 HD12 ILE 62 HD12 ILE 62 -0.725 6.218 6.404 510 HD13 ILE 62 HD13 ILE 62 -0.070 4.624 6.033 511 H TRP 63 HN TRP 63 4.465 7.070 2.541 512 HA TRP 63 HA TRP 63 5.424 4.589 1.418 513 HB2 TRP 63 HB2 TRP 63 6.052 7.452 0.702 514 HB3 TRP 63 HB1 TRP 63 6.752 6.036 -0.078 515 HD1 TRP 63 HD1 TRP 63 3.616 8.139 -0.013 516 HE1 TRP 63 HE1 TRP 63 1.992 7.259 -1.813 517 HE3 TRP 63 HE3 TRP 63 6.051 3.836 -1.250 518 HZ2 TRP 63 HZ2 TRP 63 1.781 5.022 -3.513 519 HZ3 TRP 63 HZ3 TRP 63 5.072 2.371 -2.958 520 HH2 TRP 63 HH2 TRP 63 2.982 2.953 -4.065 521 HA PRO 64 HA PRO 64 8.769 4.467 4.420 522 HB2 PRO 64 HB2 PRO 64 9.715 2.346 2.623 523 HB3 PRO 64 HB1 PRO 64 9.340 2.260 4.347 524 HG2 PRO 64 HG2 PRO 64 7.763 1.099 2.528 525 HG3 PRO 64 HG1 PRO 64 7.102 1.876 3.980 526 HD2 PRO 64 HD2 PRO 64 7.177 2.888 1.171 527 HD3 PRO 64 HD1 PRO 64 5.909 3.008 2.421 528 H LEU 65 HN LEU 65 10.221 5.750 4.439 529 HA LEU 65 HA LEU 65 12.427 5.659 2.717 530 HB2 LEU 65 HB2 LEU 65 10.617 7.107 1.500 531 HB3 LEU 65 HB1 LEU 65 10.942 8.288 2.748 532 HG LEU 65 HG LEU 65 12.939 7.263 0.719 533 HD11 LEU 65 HD11 LEU 65 11.546 9.898 0.954 534 HD12 LEU 65 HD12 LEU 65 11.179 8.637 -0.208 535 HD13 LEU 65 HD13 LEU 65 12.747 9.463 -0.273 536 HD21 LEU 65 HD21 LEU 65 14.418 9.032 1.544 537 HD22 LEU 65 HD22 LEU 65 13.974 7.898 2.842 538 HD23 LEU 65 HD23 LEU 65 13.197 9.472 2.752 539 H ASP 66 HN ASP 66 13.117 5.106 4.781 540 HA ASP 66 HA ASP 66 14.098 5.400 6.804 541 HB2 ASP 66 HB2 ASP 66 15.358 7.117 5.423 542 HB3 ASP 66 HB1 ASP 66 14.236 8.332 6.007 543 H LYS 67 HN LYS 67 11.396 5.260 6.830 544 HA LYS 67 HA LYS 67 10.264 7.454 8.284 545 HB2 LYS 67 HB2 LYS 67 9.096 4.891 7.323 546 HB3 LYS 67 HB1 LYS 67 8.237 5.920 8.452 547 HG2 LYS 67 HG2 LYS 67 9.193 6.710 5.724 548 HG3 LYS 67 HG1 LYS 67 7.521 6.285 6.186 549 HD2 LYS 67 HD2 LYS 67 9.132 8.677 7.130 550 HD3 LYS 67 HD1 LYS 67 7.767 8.702 6.022 551 HE2 LYS 67 HE2 LYS 67 7.657 7.847 8.924 552 HE3 LYS 67 HE1 LYS 67 7.173 9.397 8.301 553 HZ1 LYS 67 HZ1 LYS 67 5.883 6.923 7.269 554 HZ2 LYS 67 HZ2 LYS 67 5.251 8.527 7.320 555 HZ3 LYS 67 HZ3 LYS 67 5.407 7.639 8.695 556 H GLY 68 HN GLY 68 8.863 7.070 10.061 557 HA2 GLY 68 HA2 GLY 68 8.835 5.261 11.941 558 HA3 GLY 68 HA1 GLY 68 10.367 6.106 12.265 559 H LEU 69 HN LEU 69 9.487 8.566 11.108 560 HA LEU 69 HA LEU 69 7.486 9.454 13.070 561 HB2 LEU 69 HB2 LEU 69 9.824 11.028 11.954 562 HB3 LEU 69 HB1 LEU 69 8.549 11.709 12.935 563 HG LEU 69 HG LEU 69 10.392 11.471 14.339 564 HD11 LEU 69 HD11 LEU 69 9.693 9.862 16.027 565 HD12 LEU 69 HD12 LEU 69 8.594 9.140 14.852 566 HD13 LEU 69 HD13 LEU 69 8.345 10.804 15.379 567 HD21 LEU 69 HD21 LEU 69 11.770 10.007 13.016 568 HD22 LEU 69 HD22 LEU 69 10.667 8.672 13.302 569 HD23 LEU 69 HD23 LEU 69 11.621 9.327 14.646 570 H GLU 70 HN GLU 70 5.691 10.059 12.149 571 HA GLU 70 HA GLU 70 5.511 10.019 9.345 572 HB2 GLU 70 HB2 GLU 70 3.678 9.304 10.892 573 HB3 GLU 70 HB1 GLU 70 3.401 11.004 11.256 574 HG2 GLU 70 HG2 GLU 70 1.845 10.190 9.541 575 HG3 GLU 70 HG1 GLU 70 2.905 11.459 8.923 576 H HIS 71 HN HIS 71 5.242 11.555 7.912 577 HA HIS 71 HA HIS 71 5.796 14.240 8.859 578 HB2 HIS 71 HB2 HIS 71 6.370 14.910 6.540 579 HB3 HIS 71 HB1 HIS 71 7.328 13.534 7.032 580 HD1 HIS 71 HD1 HIS 71 6.074 14.714 4.089 581 HD2 HIS 71 HD2 HIS 71 5.507 11.064 5.996 582 HE1 HIS 71 HE1 HIS 71 5.419 13.104 2.286 583 HE2 HIS 71 HE2 HIS 71 5.117 10.896 3.456 584 H HIS 72 HN HIS 72 3.775 14.163 9.791 585 HA HIS 72 HA HIS 72 1.396 14.276 8.148 586 HB2 HIS 72 HB2 HIS 72 1.528 13.365 10.555 587 HB3 HIS 72 HB1 HIS 72 1.666 15.034 11.073 588 HD1 HIS 72 HD1 HIS 72 -0.519 16.145 11.613 589 HD2 HIS 72 HD2 HIS 72 -1.000 12.846 9.138 590 HE1 HIS 72 HE1 HIS 72 -2.978 15.871 11.337 591 HE2 HIS 72 HE2 HIS 72 -3.191 13.633 10.217 592 H HIS 73 HN HIS 73 3.764 16.311 9.457 593 HA HIS 73 HA HIS 73 2.638 18.584 8.043 594 HB2 HIS 73 HB2 HIS 73 3.822 18.564 10.822 595 HB3 HIS 73 HB1 HIS 73 3.902 20.008 9.822 596 HD1 HIS 73 HD1 HIS 73 1.933 21.496 9.894 597 HD2 HIS 73 HD2 HIS 73 1.074 17.722 11.358 598 HE1 HIS 73 HE1 HIS 73 -0.401 21.653 10.833 599 HE2 HIS 73 HE2 HIS 73 -0.983 19.255 11.265 600 H HIS 74 HN HIS 74 3.960 19.028 6.495 601 HA HIS 74 HA HIS 74 6.516 17.795 6.346 602 HB2 HIS 74 HB2 HIS 74 6.840 18.989 4.176 603 HB3 HIS 74 HB1 HIS 74 5.336 18.102 4.245 604 HD1 HIS 74 HD1 HIS 74 3.131 19.553 4.310 605 HD2 HIS 74 HD2 HIS 74 6.628 21.721 3.758 606 HE1 HIS 74 HE1 HIS 74 2.401 21.795 3.509 607 HE2 HIS 74 HE2 HIS 74 4.524 22.967 2.909 608 H HIS 75 HN HIS 75 8.043 18.312 7.593 609 HA HIS 75 HA HIS 75 8.432 21.063 8.459 610 HB2 HIS 75 HB2 HIS 75 9.971 18.572 9.245 611 HB3 HIS 75 HB1 HIS 75 10.110 20.153 9.997 612 HD1 HIS 75 HD1 HIS 75 8.570 16.981 10.436 613 HD2 HIS 75 HD2 HIS 75 7.461 20.908 11.210 614 HE1 HIS 75 HE1 HIS 75 6.733 16.841 12.129 615 HE2 HIS 75 HE2 HIS 75 6.004 19.224 12.500 616 H HIS 76 HN HIS 76 10.621 18.487 7.447 617 HA HIS 76 HA HIS 76 11.810 19.827 5.323 618 HB2 HIS 76 HB2 HIS 76 12.741 21.282 7.115 619 HB3 HIS 76 HB1 HIS 76 13.355 19.855 7.936 620 HD1 HIS 76 HD1 HIS 76 13.936 21.950 4.850 621 HD2 HIS 76 HD2 HIS 76 15.818 18.973 7.045 622 HE1 HIS 76 HE1 HIS 76 16.229 21.732 3.868 623 HE2 HIS 76 HE2 HIS 76 17.111 19.675 4.922 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 9.556 -9.730 -15.156 2 H2 GLU 1 HT2 GLU 1 10.467 -11.012 -14.536 3 H3 GLU 1 HT3 GLU 1 11.179 -9.509 -14.722 4 HA GLU 1 HA GLU 1 9.759 -8.585 -13.066 5 HB2 GLU 1 HB2 GLU 1 8.784 -11.442 -12.780 6 HB3 GLU 1 HB1 GLU 1 8.393 -10.125 -11.684 7 HG2 GLU 1 HG2 GLU 1 7.271 -8.930 -13.490 8 HG3 GLU 1 HG1 GLU 1 7.660 -10.231 -14.605 9 H ASP 2 HN ASP 2 10.858 -8.219 -11.341 10 HA ASP 2 HA ASP 2 12.454 -9.823 -9.764 11 HB2 ASP 2 HB2 ASP 2 14.715 -9.605 -10.607 12 HB3 ASP 2 HB1 ASP 2 13.762 -10.203 -11.949 13 H MET 3 HN MET 3 12.087 -6.908 -11.525 14 HA MET 3 HA MET 3 11.811 -5.274 -9.243 15 HB2 MET 3 HB2 MET 3 14.290 -5.214 -9.433 16 HB3 MET 3 HB1 MET 3 14.146 -4.764 -11.126 17 HG2 MET 3 HG2 MET 3 13.132 -2.641 -10.507 18 HG3 MET 3 HG1 MET 3 13.173 -3.095 -8.808 19 HE1 MET 3 HE1 MET 3 14.355 -0.344 -9.826 20 HE2 MET 3 HE2 MET 3 15.877 -0.279 -8.939 21 HE3 MET 3 HE3 MET 3 14.420 -0.865 -8.141 22 H GLU 4 HN GLU 4 9.826 -5.140 -10.203 23 HA GLU 4 HA GLU 4 9.546 -4.329 -12.874 24 HB2 GLU 4 HB2 GLU 4 7.494 -4.436 -10.656 25 HB3 GLU 4 HB1 GLU 4 7.118 -4.086 -12.331 26 HG2 GLU 4 HG2 GLU 4 6.573 -6.356 -12.054 27 HG3 GLU 4 HG1 GLU 4 8.135 -6.349 -12.869 28 HA PRO 5 HA PRO 5 10.157 -0.000 -12.402 29 HB2 PRO 5 HB2 PRO 5 8.191 0.368 -14.562 30 HB3 PRO 5 HB1 PRO 5 9.895 0.836 -14.475 31 HG2 PRO 5 HG2 PRO 5 9.076 -1.197 -16.025 32 HG3 PRO 5 HG1 PRO 5 10.643 -1.214 -15.197 33 HD2 PRO 5 HD2 PRO 5 8.117 -2.641 -14.497 34 HD3 PRO 5 HD1 PRO 5 9.811 -3.161 -14.370 35 H CYS 6 HN CYS 6 6.902 -1.281 -12.434 36 HA CYS 6 HA CYS 6 5.759 1.221 -11.524 37 HB2 CYS 6 HB2 CYS 6 4.576 -0.315 -13.106 38 HB3 CYS 6 HB1 CYS 6 4.400 -1.453 -11.761 39 HG CYS 6 HG CYS 6 2.930 0.453 -10.231 40 H LEU 7 HN LEU 7 7.722 -0.020 -9.832 41 HA LEU 7 HA LEU 7 8.177 -0.582 -7.731 42 HB2 LEU 7 HB2 LEU 7 7.229 1.016 -5.996 43 HB3 LEU 7 HB1 LEU 7 8.111 1.702 -7.326 44 HG LEU 7 HG LEU 7 6.214 3.082 -6.572 45 HD11 LEU 7 HD11 LEU 7 5.848 2.089 -9.371 46 HD12 LEU 7 HD12 LEU 7 6.914 3.393 -8.839 47 HD13 LEU 7 HD13 LEU 7 5.165 3.575 -8.714 48 HD21 LEU 7 HD21 LEU 7 3.898 2.415 -7.100 49 HD22 LEU 7 HD22 LEU 7 4.639 1.406 -5.851 50 HD23 LEU 7 HD23 LEU 7 4.489 0.808 -7.504 51 H THR 8 HN THR 8 6.393 -2.485 -8.592 52 HA THR 8 HA THR 8 4.453 -3.000 -6.607 53 HB THR 8 HB THR 8 4.501 -5.273 -7.779 54 HG1 THR 8 HG1 THR 8 6.464 -5.345 -8.725 55 HG21 THR 8 HG21 THR 8 4.058 -2.779 -9.437 56 HG22 THR 8 HG22 THR 8 2.875 -3.529 -8.360 57 HG23 THR 8 HG23 THR 8 3.415 -4.379 -9.805 58 H GLY 9 HN GLY 9 4.574 -4.635 -5.011 59 HA2 GLY 9 HA2 GLY 9 5.657 -6.211 -3.653 60 HA3 GLY 9 HA1 GLY 9 7.151 -5.910 -4.533 61 H THR 10 HN THR 10 6.213 -2.931 -3.918 62 HA THR 10 HA THR 10 7.946 -2.595 -1.691 63 HB THR 10 HB THR 10 5.910 -0.629 -2.700 64 HG1 THR 10 HG1 THR 10 7.093 -0.950 -4.519 65 HG21 THR 10 HG21 THR 10 7.530 1.054 -1.888 66 HG22 THR 10 HG22 THR 10 8.581 -0.247 -1.330 67 HG23 THR 10 HG23 THR 10 6.993 -0.020 -0.598 68 H LYS 11 HN LYS 11 7.399 -2.924 0.323 69 HA LYS 11 HA LYS 11 4.602 -3.171 1.020 70 HB2 LYS 11 HB2 LYS 11 5.374 -4.039 3.215 71 HB3 LYS 11 HB1 LYS 11 6.000 -4.958 1.862 72 HG2 LYS 11 HG2 LYS 11 8.153 -3.805 2.097 73 HG3 LYS 11 HG1 LYS 11 7.506 -2.902 3.464 74 HD2 LYS 11 HD2 LYS 11 7.113 -5.014 4.656 75 HD3 LYS 11 HD1 LYS 11 7.805 -5.898 3.296 76 HE2 LYS 11 HE2 LYS 11 9.236 -3.819 4.932 77 HE3 LYS 11 HE1 LYS 11 9.400 -5.557 5.146 78 HZ1 LYS 11 HZ1 LYS 11 10.122 -4.051 2.670 79 HZ2 LYS 11 HZ2 LYS 11 10.365 -5.708 2.912 80 HZ3 LYS 11 HZ3 LYS 11 11.188 -4.579 3.850 81 H VAL 12 HN VAL 12 3.527 -1.579 1.585 82 HA VAL 12 HA VAL 12 4.796 0.705 2.937 83 HB VAL 12 HB VAL 12 3.112 2.124 1.830 84 HG11 VAL 12 HG11 VAL 12 4.025 2.044 -0.439 85 HG12 VAL 12 HG12 VAL 12 4.705 0.453 -0.109 86 HG13 VAL 12 HG13 VAL 12 5.293 1.863 0.772 87 HG21 VAL 12 HG21 VAL 12 1.359 0.439 1.526 88 HG22 VAL 12 HG22 VAL 12 2.345 -0.380 0.313 89 HG23 VAL 12 HG23 VAL 12 1.734 1.246 0.005 90 H LYS 13 HN LYS 13 2.938 2.038 3.973 91 HA LYS 13 HA LYS 13 1.100 0.162 5.182 92 HB2 LYS 13 HB2 LYS 13 2.682 1.031 6.839 93 HB3 LYS 13 HB1 LYS 13 2.295 2.681 6.400 94 HG2 LYS 13 HG2 LYS 13 0.246 2.617 7.440 95 HG3 LYS 13 HG1 LYS 13 0.172 0.859 7.403 96 HD2 LYS 13 HD2 LYS 13 0.597 1.826 9.668 97 HD3 LYS 13 HD1 LYS 13 1.821 0.682 9.130 98 HE2 LYS 13 HE2 LYS 13 3.278 2.490 8.541 99 HE3 LYS 13 HE1 LYS 13 2.060 3.688 8.992 100 HZ1 LYS 13 HZ1 LYS 13 2.176 2.880 11.268 101 HZ2 LYS 13 HZ2 LYS 13 3.709 3.345 10.811 102 HZ3 LYS 13 HZ3 LYS 13 3.289 1.709 10.852 103 H VAL 14 HN VAL 14 -0.991 0.763 5.291 104 HA VAL 14 HA VAL 14 -1.702 2.884 3.389 105 HB VAL 14 HB VAL 14 -2.882 0.109 3.682 106 HG11 VAL 14 HG11 VAL 14 -3.786 2.367 1.902 107 HG12 VAL 14 HG12 VAL 14 -4.672 1.705 3.278 108 HG13 VAL 14 HG13 VAL 14 -4.377 0.707 1.849 109 HG21 VAL 14 HG21 VAL 14 -2.153 -0.195 1.378 110 HG22 VAL 14 HG22 VAL 14 -0.788 0.216 2.414 111 HG23 VAL 14 HG23 VAL 14 -1.485 1.435 1.348 112 H LYS 15 HN LYS 15 -3.197 4.231 3.969 113 HA LYS 15 HA LYS 15 -4.588 3.941 6.538 114 HB2 LYS 15 HB2 LYS 15 -3.059 5.772 6.446 115 HB3 LYS 15 HB1 LYS 15 -3.669 6.283 4.872 116 HG2 LYS 15 HG2 LYS 15 -5.808 6.873 6.036 117 HG3 LYS 15 HG1 LYS 15 -4.980 6.545 7.572 118 HD2 LYS 15 HD2 LYS 15 -3.292 8.178 7.074 119 HD3 LYS 15 HD1 LYS 15 -3.950 8.436 5.468 120 HE2 LYS 15 HE2 LYS 15 -6.045 9.274 6.575 121 HE3 LYS 15 HE1 LYS 15 -5.184 9.181 8.114 122 HZ1 LYS 15 HZ1 LYS 15 -5.024 11.417 7.210 123 HZ2 LYS 15 HZ2 LYS 15 -4.479 10.840 5.767 124 HZ3 LYS 15 HZ3 LYS 15 -3.487 10.722 7.116 125 H TYR 16 HN TYR 16 -6.527 3.099 6.030 126 HA TYR 16 HA TYR 16 -7.960 4.190 3.714 127 HB2 TYR 16 HB2 TYR 16 -7.255 1.824 3.534 128 HB3 TYR 16 HB1 TYR 16 -8.179 1.477 4.996 129 HD1 TYR 16 HD1 TYR 16 -8.314 2.217 1.452 130 HD2 TYR 16 HD2 TYR 16 -10.629 1.357 4.896 131 HE1 TYR 16 HE1 TYR 16 -10.251 1.752 0.012 132 HE2 TYR 16 HE2 TYR 16 -12.581 0.890 3.475 133 HH TYR 16 HH TYR 16 -12.320 0.460 0.152 134 H GLY 17 HN GLY 17 -9.482 5.536 4.427 135 HA2 GLY 17 HA2 GLY 17 -11.093 4.624 6.666 136 HA3 GLY 17 HA1 GLY 17 -10.403 6.239 6.689 137 H ARG 18 HN ARG 18 -12.961 4.307 5.756 138 HA ARG 18 HA ARG 18 -14.173 6.666 4.557 139 HB2 ARG 18 HB2 ARG 18 -15.576 5.264 3.075 140 HB3 ARG 18 HB1 ARG 18 -13.881 5.022 2.719 141 HG2 ARG 18 HG2 ARG 18 -13.895 2.850 3.713 142 HG3 ARG 18 HG1 ARG 18 -15.467 3.143 4.453 143 HD2 ARG 18 HD2 ARG 18 -15.797 1.708 2.569 144 HD3 ARG 18 HD1 ARG 18 -16.446 3.293 2.159 145 HE ARG 18 HE ARG 18 -13.977 2.078 1.145 146 HH11 ARG 18 HH11 ARG 18 -16.396 4.672 0.862 147 HH12 ARG 18 HH12 ARG 18 -16.012 5.046 -0.737 148 HH21 ARG 18 HH21 ARG 18 -13.496 2.561 -1.088 149 HH22 ARG 18 HH22 ARG 18 -14.314 3.842 -1.865 150 H GLY 19 HN GLY 19 -15.368 7.406 6.155 151 HA2 GLY 19 HA2 GLY 19 -16.936 7.566 7.810 152 HA3 GLY 19 HA1 GLY 19 -17.744 6.257 6.972 153 H LYS 20 HN LYS 20 -17.736 4.266 7.830 154 HA LYS 20 HA LYS 20 -16.981 4.007 10.609 155 HB2 LYS 20 HB2 LYS 20 -19.117 3.096 9.776 156 HB3 LYS 20 HB1 LYS 20 -18.234 2.021 8.705 157 HG2 LYS 20 HG2 LYS 20 -17.151 1.034 10.740 158 HG3 LYS 20 HG1 LYS 20 -18.284 1.978 11.705 159 HD2 LYS 20 HD2 LYS 20 -20.151 0.851 10.635 160 HD3 LYS 20 HD1 LYS 20 -19.038 -0.065 9.619 161 HE2 LYS 20 HE2 LYS 20 -19.279 -0.197 12.625 162 HE3 LYS 20 HE1 LYS 20 -19.763 -1.436 11.473 163 HZ1 LYS 20 HZ1 LYS 20 -17.393 -1.652 10.827 164 HZ2 LYS 20 HZ2 LYS 20 -17.685 -2.017 12.433 165 HZ3 LYS 20 HZ3 LYS 20 -16.966 -0.565 12.051 166 H THR 21 HN THR 21 -15.994 2.778 7.504 167 HA THR 21 HA THR 21 -14.236 0.820 8.638 168 HB THR 21 HB THR 21 -14.717 1.638 5.771 169 HG1 THR 21 HG1 THR 21 -16.178 -0.025 5.735 170 HG21 THR 21 HG21 THR 21 -12.586 0.443 6.064 171 HG22 THR 21 HG22 THR 21 -13.755 -0.552 5.204 172 HG23 THR 21 HG23 THR 21 -13.422 -0.860 6.911 173 H GLN 22 HN GLN 22 -12.766 2.213 9.764 174 HA GLN 22 HA GLN 22 -10.734 3.218 7.934 175 HB2 GLN 22 HB2 GLN 22 -11.753 5.241 8.794 176 HB3 GLN 22 HB1 GLN 22 -11.639 4.647 10.444 177 HG2 GLN 22 HG2 GLN 22 -9.234 4.799 10.397 178 HG3 GLN 22 HG1 GLN 22 -9.252 5.210 8.687 179 HE21 GLN 22 HE21 GLN 22 -9.634 7.297 8.084 180 HE22 GLN 22 HE22 GLN 22 -9.785 8.598 9.188 181 H LYS 23 HN LYS 23 -8.956 2.226 8.103 182 HA LYS 23 HA LYS 23 -7.892 1.451 10.649 183 HB2 LYS 23 HB2 LYS 23 -7.768 -0.871 10.198 184 HB3 LYS 23 HB1 LYS 23 -9.442 -0.368 10.055 185 HG2 LYS 23 HG2 LYS 23 -9.065 -0.260 7.575 186 HG3 LYS 23 HG1 LYS 23 -7.524 -1.072 7.870 187 HD2 LYS 23 HD2 LYS 23 -8.815 -2.918 7.608 188 HD3 LYS 23 HD1 LYS 23 -9.019 -2.531 9.340 189 HE2 LYS 23 HE2 LYS 23 -11.100 -1.401 8.924 190 HE3 LYS 23 HE1 LYS 23 -10.890 -1.615 7.184 191 HZ1 LYS 23 HZ1 LYS 23 -11.068 -4.023 7.526 192 HZ2 LYS 23 HZ2 LYS 23 -12.445 -3.202 7.993 193 HZ3 LYS 23 HZ3 LYS 23 -11.396 -3.774 9.167 194 H ILE 24 HN ILE 24 -5.648 0.984 10.451 195 HA ILE 24 HA ILE 24 -4.514 1.783 7.878 196 HB ILE 24 HB ILE 24 -3.333 1.873 10.679 197 HG12 ILE 24 HG12 ILE 24 -4.134 4.197 8.935 198 HG13 ILE 24 HG11 ILE 24 -5.235 3.475 10.106 199 HG21 ILE 24 HG21 ILE 24 -1.537 3.180 9.653 200 HG22 ILE 24 HG22 ILE 24 -2.272 2.946 8.066 201 HG23 ILE 24 HG23 ILE 24 -1.628 1.566 8.949 202 HD11 ILE 24 HD11 ILE 24 -2.564 4.720 10.715 203 HD12 ILE 24 HD12 ILE 24 -3.679 3.973 11.868 204 HD13 ILE 24 HD13 ILE 24 -4.156 5.445 11.012 205 H TYR 25 HN TYR 25 -3.706 0.167 6.739 206 HA TYR 25 HA TYR 25 -2.988 -2.403 8.075 207 HB2 TYR 25 HB2 TYR 25 -3.186 -2.259 5.125 208 HB3 TYR 25 HB1 TYR 25 -3.556 -3.576 6.195 209 HD1 TYR 25 HD1 TYR 25 -4.872 -0.345 4.923 210 HD2 TYR 25 HD2 TYR 25 -5.825 -4.192 6.477 211 HE1 TYR 25 HE1 TYR 25 -7.184 -0.075 4.184 212 HE2 TYR 25 HE2 TYR 25 -8.148 -3.903 5.758 213 HH TYR 25 HH TYR 25 -9.017 -1.579 3.538 214 H GLU 26 HN GLU 26 -1.114 -3.500 7.012 215 HA GLU 26 HA GLU 26 0.492 -1.678 5.395 216 HB2 GLU 26 HB2 GLU 26 1.470 -3.887 7.225 217 HB3 GLU 26 HB1 GLU 26 2.500 -3.067 6.053 218 HG2 GLU 26 HG2 GLU 26 2.021 -0.911 7.193 219 HG3 GLU 26 HG1 GLU 26 1.083 -1.797 8.386 220 H ALA 27 HN ALA 27 1.169 -2.340 3.423 221 HA ALA 27 HA ALA 27 0.238 -4.959 2.493 222 HB1 ALA 27 HB1 ALA 27 -1.081 -3.963 0.725 223 HB2 ALA 27 HB2 ALA 27 -0.691 -2.351 1.325 224 HB3 ALA 27 HB3 ALA 27 -1.675 -3.439 2.302 225 H SER 28 HN SER 28 0.832 -5.265 0.180 226 HA SER 28 HA SER 28 3.296 -3.847 -0.441 227 HB2 SER 28 HB2 SER 28 3.727 -5.835 -1.914 228 HB3 SER 28 HB1 SER 28 3.627 -6.251 -0.203 229 HG SER 28 HG SER 28 1.793 -7.305 -0.542 230 H ILE 29 HN ILE 29 3.413 -2.813 -2.405 231 HA ILE 29 HA ILE 29 0.970 -2.178 -3.672 232 HB ILE 29 HB ILE 29 3.785 -1.715 -4.708 233 HG12 ILE 29 HG12 ILE 29 3.504 -0.643 -2.563 234 HG13 ILE 29 HG11 ILE 29 3.445 0.596 -3.813 235 HG21 ILE 29 HG21 ILE 29 2.765 0.043 -6.104 236 HG22 ILE 29 HG22 ILE 29 1.169 -0.435 -5.528 237 HG23 ILE 29 HG23 ILE 29 2.124 -1.552 -6.499 238 HD11 ILE 29 HD11 ILE 29 1.093 -0.570 -2.304 239 HD12 ILE 29 HD12 ILE 29 0.969 0.579 -3.633 240 HD13 ILE 29 HD13 ILE 29 1.777 1.050 -2.142 241 H LYS 30 HN LYS 30 -0.122 -3.228 -5.052 242 HA LYS 30 HA LYS 30 0.884 -5.724 -6.165 243 HB2 LYS 30 HB2 LYS 30 -1.293 -5.285 -4.795 244 HB3 LYS 30 HB1 LYS 30 -1.909 -4.589 -6.267 245 HG2 LYS 30 HG2 LYS 30 -1.054 -7.456 -5.870 246 HG3 LYS 30 HG1 LYS 30 -2.701 -6.848 -5.887 247 HD2 LYS 30 HD2 LYS 30 -2.262 -6.102 -8.264 248 HD3 LYS 30 HD1 LYS 30 -0.752 -7.010 -8.169 249 HE2 LYS 30 HE2 LYS 30 -3.538 -8.096 -7.825 250 HE3 LYS 30 HE1 LYS 30 -2.465 -8.389 -9.190 251 HZ1 LYS 30 HZ1 LYS 30 -0.968 -9.576 -7.689 252 HZ2 LYS 30 HZ2 LYS 30 -2.514 -10.249 -7.648 253 HZ3 LYS 30 HZ3 LYS 30 -2.003 -9.286 -6.388 254 H SER 31 HN SER 31 -0.507 -2.579 -7.074 255 HA SER 31 HA SER 31 0.718 -2.555 -9.630 256 HB2 SER 31 HB2 SER 31 -1.174 -4.158 -10.056 257 HB3 SER 31 HB1 SER 31 -2.308 -2.903 -9.565 258 HG SER 31 HG SER 31 -2.274 -2.534 -11.639 259 H THR 32 HN THR 32 -0.241 -0.532 -10.860 260 HA THR 32 HA THR 32 -1.502 1.395 -9.088 261 HB THR 32 HB THR 32 0.772 2.416 -10.699 262 HG1 THR 32 HG1 THR 32 0.925 0.866 -8.320 263 HG21 THR 32 HG21 THR 32 -0.363 3.102 -8.017 264 HG22 THR 32 HG22 THR 32 -0.750 3.864 -9.558 265 HG23 THR 32 HG23 THR 32 0.879 4.008 -8.885 266 H GLU 33 HN GLU 33 -2.745 2.765 -10.218 267 HA GLU 33 HA GLU 33 -2.504 2.954 -13.102 268 HB2 GLU 33 HB2 GLU 33 -5.001 2.015 -11.705 269 HB3 GLU 33 HB1 GLU 33 -5.037 2.807 -13.270 270 HG2 GLU 33 HG2 GLU 33 -3.596 1.087 -14.181 271 HG3 GLU 33 HG1 GLU 33 -3.591 0.249 -12.627 272 H ILE 34 HN ILE 34 -3.625 4.741 -13.934 273 HA ILE 34 HA ILE 34 -4.075 6.726 -11.836 274 HB ILE 34 HB ILE 34 -3.219 7.216 -14.702 275 HG12 ILE 34 HG12 ILE 34 -1.229 8.357 -13.651 276 HG13 ILE 34 HG11 ILE 34 -1.826 7.815 -12.088 277 HG21 ILE 34 HG21 ILE 34 -3.180 9.635 -14.118 278 HG22 ILE 34 HG22 ILE 34 -3.906 9.232 -12.558 279 HG23 ILE 34 HG23 ILE 34 -4.799 8.935 -14.044 280 HD11 ILE 34 HD11 ILE 34 -1.469 5.535 -12.716 281 HD12 ILE 34 HD12 ILE 34 0.025 6.460 -12.876 282 HD13 ILE 34 HD13 ILE 34 -0.914 6.018 -14.319 283 H ASP 35 HN ASP 35 -6.027 7.499 -11.647 284 HA ASP 35 HA ASP 35 -7.908 7.020 -13.830 285 HB2 ASP 35 HB2 ASP 35 -8.201 5.283 -12.067 286 HB3 ASP 35 HB1 ASP 35 -8.540 6.572 -10.912 287 H ASP 36 HN ASP 36 -8.246 8.938 -14.517 288 HA ASP 36 HA ASP 36 -8.794 11.082 -14.672 289 HB2 ASP 36 HB2 ASP 36 -10.960 10.250 -13.968 290 HB3 ASP 36 HB1 ASP 36 -10.496 10.399 -12.281 291 H GLY 37 HN GLY 37 -6.495 11.265 -14.008 292 HA2 GLY 37 HA2 GLY 37 -5.113 13.017 -13.337 293 HA3 GLY 37 HA1 GLY 37 -6.417 13.607 -12.326 294 H GLU 38 HN GLU 38 -6.610 10.858 -11.008 295 HA GLU 38 HA GLU 38 -4.297 11.340 -9.350 296 HB2 GLU 38 HB2 GLU 38 -5.589 10.299 -7.476 297 HB3 GLU 38 HB1 GLU 38 -6.134 11.872 -8.028 298 HG2 GLU 38 HG2 GLU 38 -7.946 10.717 -9.278 299 HG3 GLU 38 HG1 GLU 38 -7.410 9.198 -8.550 300 H VAL 39 HN VAL 39 -3.265 9.651 -8.267 301 HA VAL 39 HA VAL 39 -3.177 7.322 -10.012 302 HB VAL 39 HB VAL 39 -1.134 7.998 -7.913 303 HG11 VAL 39 HG11 VAL 39 -0.986 6.384 -10.459 304 HG12 VAL 39 HG12 VAL 39 -0.945 5.772 -8.823 305 HG13 VAL 39 HG13 VAL 39 0.388 6.735 -9.429 306 HG21 VAL 39 HG21 VAL 39 0.212 9.130 -9.687 307 HG22 VAL 39 HG22 VAL 39 -1.244 10.003 -9.224 308 HG23 VAL 39 HG23 VAL 39 -1.212 9.107 -10.733 309 H LEU 40 HN LEU 40 -4.058 5.578 -9.338 310 HA LEU 40 HA LEU 40 -4.580 5.259 -6.489 311 HB2 LEU 40 HB2 LEU 40 -5.969 4.006 -8.856 312 HB3 LEU 40 HB1 LEU 40 -6.381 3.763 -7.173 313 HG LEU 40 HG LEU 40 -6.656 6.341 -8.713 314 HD11 LEU 40 HD11 LEU 40 -8.725 4.429 -7.652 315 HD12 LEU 40 HD12 LEU 40 -8.287 4.672 -9.343 316 HD13 LEU 40 HD13 LEU 40 -9.051 5.978 -8.435 317 HD21 LEU 40 HD21 LEU 40 -7.367 5.694 -5.845 318 HD22 LEU 40 HD22 LEU 40 -7.790 7.179 -6.696 319 HD23 LEU 40 HD23 LEU 40 -6.099 6.790 -6.390 320 H TYR 41 HN TYR 41 -3.840 3.537 -5.557 321 HA TYR 41 HA TYR 41 -2.105 1.805 -7.127 322 HB2 TYR 41 HB2 TYR 41 -2.079 2.570 -4.209 323 HB3 TYR 41 HB1 TYR 41 -1.050 1.331 -4.911 324 HD1 TYR 41 HD2 TYR 41 -1.896 4.960 -5.316 325 HD2 TYR 41 HD1 TYR 41 1.053 1.918 -5.631 326 HE1 TYR 41 HE2 TYR 41 -0.220 6.650 -5.848 327 HE2 TYR 41 HE1 TYR 41 2.745 3.626 -6.163 328 HH TYR 41 HH TYR 41 2.765 5.863 -7.138 329 H LEU 42 HN LEU 42 -2.272 -0.315 -6.788 330 HA LEU 42 HA LEU 42 -4.703 -1.210 -5.427 331 HB2 LEU 42 HB2 LEU 42 -4.093 -1.659 -7.975 332 HB3 LEU 42 HB1 LEU 42 -3.000 -2.838 -7.290 333 HG LEU 42 HG LEU 42 -5.991 -2.805 -7.263 334 HD11 LEU 42 HD11 LEU 42 -3.990 -4.783 -8.262 335 HD12 LEU 42 HD12 LEU 42 -5.045 -3.731 -9.213 336 HD13 LEU 42 HD13 LEU 42 -5.734 -5.024 -8.229 337 HD21 LEU 42 HD21 LEU 42 -5.942 -4.856 -5.881 338 HD22 LEU 42 HD22 LEU 42 -5.435 -3.430 -5.007 339 HD23 LEU 42 HD23 LEU 42 -4.223 -4.588 -5.578 340 H VAL 43 HN VAL 43 -4.187 -2.177 -3.550 341 HA VAL 43 HA VAL 43 -1.410 -3.022 -3.230 342 HB VAL 43 HB VAL 43 -1.397 -2.234 -0.950 343 HG11 VAL 43 HG11 VAL 43 -1.626 0.136 -1.206 344 HG12 VAL 43 HG12 VAL 43 -2.561 -0.107 -2.679 345 HG13 VAL 43 HG13 VAL 43 -0.875 -0.599 -2.628 346 HG21 VAL 43 HG21 VAL 43 -4.294 -1.463 -1.368 347 HG22 VAL 43 HG22 VAL 43 -3.345 -1.092 0.064 348 HG23 VAL 43 HG23 VAL 43 -3.725 -2.770 -0.331 349 H HIS 44 HN HIS 44 -1.046 -4.804 -2.005 350 HA HIS 44 HA HIS 44 -3.365 -6.551 -1.552 351 HB2 HIS 44 HB2 HIS 44 -1.899 -7.253 -3.455 352 HB3 HIS 44 HB1 HIS 44 -0.537 -7.294 -2.342 353 HD1 HIS 44 HD1 HIS 44 -0.083 -9.492 -1.311 354 HD2 HIS 44 HD2 HIS 44 -3.966 -9.229 -2.737 355 HE1 HIS 44 HE1 HIS 44 -1.069 -11.777 -1.011 356 HE2 HIS 44 HE2 HIS 44 -3.441 -11.571 -1.808 357 H TYR 45 HN TYR 45 -3.597 -6.977 0.530 358 HA TYR 45 HA TYR 45 -1.848 -5.730 2.330 359 HB2 TYR 45 HB2 TYR 45 -4.273 -7.423 2.874 360 HB3 TYR 45 HB1 TYR 45 -3.430 -6.424 4.066 361 HD1 TYR 45 HD2 TYR 45 -3.137 -3.986 3.542 362 HD2 TYR 45 HD1 TYR 45 -5.938 -6.422 1.502 363 HE1 TYR 45 HE2 TYR 45 -4.300 -1.981 2.774 364 HE2 TYR 45 HE1 TYR 45 -7.111 -4.414 0.712 365 HH TYR 45 HH TYR 45 -7.358 -2.011 1.404 366 H TYR 46 HN TYR 46 -0.367 -6.359 3.580 367 HA TYR 46 HA TYR 46 0.751 -8.974 3.058 368 HB2 TYR 46 HB2 TYR 46 1.961 -6.714 2.858 369 HB3 TYR 46 HB1 TYR 46 1.944 -6.677 4.610 370 HD1 TYR 46 HD2 TYR 46 3.339 -8.262 1.636 371 HD2 TYR 46 HD1 TYR 46 3.447 -8.135 5.886 372 HE1 TYR 46 HE2 TYR 46 5.453 -9.499 1.606 373 HE2 TYR 46 HE1 TYR 46 5.578 -9.372 5.866 374 HH TYR 46 HH TYR 46 7.386 -9.775 3.030 375 H GLY 47 HN GLY 47 -0.435 -10.338 4.360 376 HA2 GLY 47 HA2 GLY 47 -0.278 -11.561 6.394 377 HA3 GLY 47 HA1 GLY 47 0.087 -10.064 7.233 378 H TRP 48 HN TRP 48 -2.058 -8.596 6.046 379 HA TRP 48 HA TRP 48 -4.095 -9.384 7.944 380 HB2 TRP 48 HB2 TRP 48 -3.310 -6.989 7.427 381 HB3 TRP 48 HB1 TRP 48 -4.310 -7.093 5.988 382 HD1 TRP 48 HD1 TRP 48 -6.873 -8.511 7.402 383 HE1 TRP 48 HE1 TRP 48 -8.324 -7.108 9.002 384 HE3 TRP 48 HE3 TRP 48 -3.522 -4.815 8.514 385 HZ2 TRP 48 HZ2 TRP 48 -8.090 -4.729 10.497 386 HZ3 TRP 48 HZ3 TRP 48 -4.219 -3.010 10.030 387 HH2 TRP 48 HH2 TRP 48 -6.453 -2.969 10.998 388 H ASN 49 HN ASN 49 -4.497 -8.339 4.555 389 HA ASN 49 HA ASN 49 -6.501 -10.455 4.244 390 HB2 ASN 49 HB2 ASN 49 -6.560 -7.623 3.186 391 HB3 ASN 49 HB1 ASN 49 -7.591 -8.894 2.555 392 HD21 ASN 49 HD21 ASN 49 -8.378 -6.401 3.813 393 HD22 ASN 49 HD22 ASN 49 -9.292 -6.835 5.199 394 H VAL 50 HN VAL 50 -5.567 -11.948 3.029 395 HA VAL 50 HA VAL 50 -3.681 -11.124 0.981 396 HB VAL 50 HB VAL 50 -3.126 -13.490 0.682 397 HG11 VAL 50 HG11 VAL 50 -1.930 -12.183 2.342 398 HG12 VAL 50 HG12 VAL 50 -2.089 -13.861 2.852 399 HG13 VAL 50 HG13 VAL 50 -3.126 -12.623 3.564 400 HG21 VAL 50 HG21 VAL 50 -5.188 -13.988 2.834 401 HG22 VAL 50 HG22 VAL 50 -4.065 -15.194 2.206 402 HG23 VAL 50 HG23 VAL 50 -5.297 -14.496 1.151 403 H ARG 51 HN ARG 51 -6.944 -11.840 1.096 404 HA ARG 51 HA ARG 51 -6.895 -12.437 -1.769 405 HB2 ARG 51 HB2 ARG 51 -8.020 -14.158 -0.490 406 HB3 ARG 51 HB1 ARG 51 -9.069 -12.968 0.262 407 HG2 ARG 51 HG2 ARG 51 -10.231 -14.248 -1.465 408 HG3 ARG 51 HG1 ARG 51 -10.146 -12.536 -1.879 409 HD2 ARG 51 HD2 ARG 51 -8.195 -13.057 -3.340 410 HD3 ARG 51 HD1 ARG 51 -8.437 -14.768 -2.991 411 HE ARG 51 HE ARG 51 -10.837 -14.086 -3.864 412 HH11 ARG 51 HH11 ARG 51 -7.649 -13.364 -5.287 413 HH12 ARG 51 HH12 ARG 51 -8.255 -13.271 -6.879 414 HH21 ARG 51 HH21 ARG 51 -11.614 -13.964 -6.052 415 HH22 ARG 51 HH22 ARG 51 -10.532 -13.650 -7.323 416 H TYR 52 HN TYR 52 -7.709 -10.058 0.513 417 HA TYR 52 HA TYR 52 -9.650 -8.768 -1.168 418 HB2 TYR 52 HB2 TYR 52 -9.440 -8.643 1.455 419 HB3 TYR 52 HB1 TYR 52 -8.292 -7.351 1.112 420 HD1 TYR 52 HD2 TYR 52 -9.596 -5.992 -1.177 421 HD2 TYR 52 HD1 TYR 52 -11.307 -7.592 2.371 422 HE1 TYR 52 HE2 TYR 52 -11.482 -4.447 -1.400 423 HE2 TYR 52 HE1 TYR 52 -13.209 -6.044 2.155 424 HH TYR 52 HH TYR 52 -13.669 -3.835 1.074 425 H ASP 53 HN ASP 53 -8.974 -8.045 -2.944 426 HA ASP 53 HA ASP 53 -6.406 -6.744 -3.414 427 HB2 ASP 53 HB2 ASP 53 -7.496 -8.484 -4.924 428 HB3 ASP 53 HB1 ASP 53 -8.787 -7.341 -5.211 429 H GLU 54 HN GLU 54 -6.428 -4.505 -2.775 430 HA GLU 54 HA GLU 54 -8.955 -3.095 -3.262 431 HB2 GLU 54 HB2 GLU 54 -8.785 -3.870 -0.836 432 HB3 GLU 54 HB1 GLU 54 -7.372 -2.838 -0.708 433 HG2 GLU 54 HG2 GLU 54 -8.612 -0.882 -0.783 434 HG3 GLU 54 HG1 GLU 54 -10.027 -1.687 -1.455 435 H TRP 55 HN TRP 55 -8.879 -0.830 -3.379 436 HA TRP 55 HA TRP 55 -6.361 0.101 -4.562 437 HB2 TRP 55 HB2 TRP 55 -9.216 0.852 -5.127 438 HB3 TRP 55 HB1 TRP 55 -7.826 1.670 -5.823 439 HD1 TRP 55 HD1 TRP 55 -9.601 -1.743 -5.896 440 HE1 TRP 55 HE1 TRP 55 -8.999 -2.907 -8.093 441 HE3 TRP 55 HE3 TRP 55 -6.163 1.597 -7.632 442 HZ2 TRP 55 HZ2 TRP 55 -7.271 -2.457 -10.305 443 HZ3 TRP 55 HZ3 TRP 55 -5.075 1.165 -9.782 444 HH2 TRP 55 HH2 TRP 55 -5.616 -0.819 -11.095 445 H VAL 56 HN VAL 56 -5.427 1.812 -3.762 446 HA VAL 56 HA VAL 56 -6.944 3.711 -2.174 447 HB VAL 56 HB VAL 56 -5.190 3.836 -0.425 448 HG11 VAL 56 HG11 VAL 56 -6.253 1.015 -0.689 449 HG12 VAL 56 HG12 VAL 56 -7.167 2.397 -0.126 450 HG13 VAL 56 HG13 VAL 56 -5.776 1.837 0.804 451 HG21 VAL 56 HG21 VAL 56 -3.470 2.083 -0.239 452 HG22 VAL 56 HG22 VAL 56 -3.286 3.012 -1.719 453 HG23 VAL 56 HG23 VAL 56 -4.009 1.404 -1.773 454 H LYS 57 HN LYS 57 -6.126 5.783 -2.251 455 HA LYS 57 HA LYS 57 -4.548 6.377 -4.602 456 HB2 LYS 57 HB2 LYS 57 -6.586 7.658 -4.001 457 HB3 LYS 57 HB1 LYS 57 -5.815 8.179 -2.518 458 HG2 LYS 57 HG2 LYS 57 -4.185 9.457 -3.799 459 HG3 LYS 57 HG1 LYS 57 -4.910 8.883 -5.304 460 HD2 LYS 57 HD2 LYS 57 -6.990 10.002 -4.788 461 HD3 LYS 57 HD1 LYS 57 -6.386 10.476 -3.198 462 HE2 LYS 57 HE2 LYS 57 -4.759 11.924 -4.186 463 HE3 LYS 57 HE1 LYS 57 -5.127 11.344 -5.804 464 HZ1 LYS 57 HZ1 LYS 57 -7.323 12.328 -5.614 465 HZ2 LYS 57 HZ2 LYS 57 -6.133 13.491 -5.360 466 HZ3 LYS 57 HZ3 LYS 57 -6.993 12.871 -4.052 467 H ALA 58 HN ALA 58 -2.644 7.876 -4.479 468 HA ALA 58 HA ALA 58 -0.593 6.988 -2.852 469 HB1 ALA 58 HB1 ALA 58 -0.809 9.755 -4.016 470 HB2 ALA 58 HB2 ALA 58 -0.387 8.326 -4.935 471 HB3 ALA 58 HB3 ALA 58 0.681 8.879 -3.636 472 H ASP 59 HN ASP 59 -2.835 9.563 -2.371 473 HA ASP 59 HA ASP 59 -1.986 10.983 -0.130 474 HB2 ASP 59 HB2 ASP 59 -3.913 11.687 -1.351 475 HB3 ASP 59 HB1 ASP 59 -4.728 10.158 -1.077 476 H ARG 60 HN ARG 60 -3.364 7.836 -0.354 477 HA ARG 60 HA ARG 60 -4.043 7.683 2.481 478 HB2 ARG 60 HB2 ARG 60 -4.600 5.854 0.150 479 HB3 ARG 60 HB1 ARG 60 -5.277 5.692 1.771 480 HG2 ARG 60 HG2 ARG 60 -5.658 8.171 0.132 481 HG3 ARG 60 HG1 ARG 60 -6.716 6.771 -0.038 482 HD2 ARG 60 HD2 ARG 60 -6.212 7.848 2.686 483 HD3 ARG 60 HD1 ARG 60 -7.306 8.736 1.613 484 HE ARG 60 HE ARG 60 -7.671 5.888 1.987 485 HH11 ARG 60 HH11 ARG 60 -8.766 9.120 2.898 486 HH12 ARG 60 HH12 ARG 60 -10.409 8.692 3.063 487 HH21 ARG 60 HH21 ARG 60 -9.946 5.322 2.082 488 HH22 ARG 60 HH22 ARG 60 -11.108 6.499 2.560 489 H ILE 61 HN ILE 61 -1.277 7.247 0.812 490 HA ILE 61 HA ILE 61 -0.732 4.725 2.126 491 HB ILE 61 HB ILE 61 0.580 5.864 -0.356 492 HG12 ILE 61 HG12 ILE 61 -1.352 3.579 0.049 493 HG13 ILE 61 HG11 ILE 61 -1.685 5.096 -0.772 494 HG21 ILE 61 HG21 ILE 61 0.945 3.214 1.013 495 HG22 ILE 61 HG22 ILE 61 2.122 4.539 0.997 496 HG23 ILE 61 HG23 ILE 61 1.705 3.701 -0.507 497 HD11 ILE 61 HD11 ILE 61 0.238 2.976 -1.642 498 HD12 ILE 61 HD12 ILE 61 -0.060 4.500 -2.497 499 HD13 ILE 61 HD13 ILE 61 -1.346 3.296 -2.340 500 H ILE 62 HN ILE 62 1.036 4.510 3.351 501 HA ILE 62 HA ILE 62 2.653 6.877 3.974 502 HB ILE 62 HB ILE 62 2.312 4.295 5.511 503 HG12 ILE 62 HG12 ILE 62 1.311 5.662 7.343 504 HG13 ILE 62 HG11 ILE 62 1.201 7.037 6.240 505 HG21 ILE 62 HG21 ILE 62 3.863 6.759 6.274 506 HG22 ILE 62 HG22 ILE 62 4.513 5.191 5.810 507 HG23 ILE 62 HG23 ILE 62 3.611 5.355 7.318 508 HD11 ILE 62 HD11 ILE 62 -0.354 5.687 4.858 509 HD12 ILE 62 HD12 ILE 62 -0.941 5.933 6.500 510 HD13 ILE 62 HD13 ILE 62 -0.237 4.383 6.039 511 H TRP 63 HN TRP 63 4.354 6.743 2.654 512 HA TRP 63 HA TRP 63 5.414 4.192 1.829 513 HB2 TRP 63 HB2 TRP 63 6.168 7.039 1.137 514 HB3 TRP 63 HB1 TRP 63 6.996 5.629 0.480 515 HD1 TRP 63 HD1 TRP 63 3.689 7.542 0.244 516 HE1 TRP 63 HE1 TRP 63 2.427 6.740 -1.837 517 HE3 TRP 63 HE3 TRP 63 6.711 3.649 -1.066 518 HZ2 TRP 63 HZ2 TRP 63 2.677 4.708 -3.781 519 HZ3 TRP 63 HZ3 TRP 63 6.129 2.319 -3.057 520 HH2 TRP 63 HH2 TRP 63 4.155 2.834 -4.377 521 HA PRO 64 HA PRO 64 8.700 4.084 4.833 522 HB2 PRO 64 HB2 PRO 64 10.592 3.381 2.656 523 HB3 PRO 64 HB1 PRO 64 10.189 2.465 4.111 524 HG2 PRO 64 HG2 PRO 64 9.329 1.668 1.711 525 HG3 PRO 64 HG1 PRO 64 8.310 1.508 3.153 526 HD2 PRO 64 HD2 PRO 64 8.184 3.552 0.972 527 HD3 PRO 64 HD1 PRO 64 6.866 2.711 1.815 528 H LEU 65 HN LEU 65 9.553 5.920 5.546 529 HA LEU 65 HA LEU 65 11.221 7.601 3.881 530 HB2 LEU 65 HB2 LEU 65 8.570 8.394 5.022 531 HB3 LEU 65 HB1 LEU 65 9.848 9.572 4.823 532 HG LEU 65 HG LEU 65 8.737 7.930 2.543 533 HD11 LEU 65 HD11 LEU 65 7.517 9.951 1.927 534 HD12 LEU 65 HD12 LEU 65 8.125 10.760 3.372 535 HD13 LEU 65 HD13 LEU 65 7.016 9.395 3.529 536 HD21 LEU 65 HD21 LEU 65 9.871 9.699 1.210 537 HD22 LEU 65 HD22 LEU 65 10.978 8.738 2.195 538 HD23 LEU 65 HD23 LEU 65 10.530 10.344 2.722 539 H ASP 66 HN ASP 66 11.836 9.516 5.202 540 HA ASP 66 HA ASP 66 13.333 8.618 7.415 541 HB2 ASP 66 HB2 ASP 66 14.026 10.331 5.800 542 HB3 ASP 66 HB1 ASP 66 12.768 11.386 6.385 543 H LYS 67 HN LYS 67 11.560 7.859 8.494 544 HA LYS 67 HA LYS 67 10.442 9.783 10.447 545 HB2 LYS 67 HB2 LYS 67 8.789 8.951 8.673 546 HB3 LYS 67 HB1 LYS 67 8.969 7.358 9.366 547 HG2 LYS 67 HG2 LYS 67 7.908 9.740 10.895 548 HG3 LYS 67 HG1 LYS 67 6.899 8.616 10.006 549 HD2 LYS 67 HD2 LYS 67 7.683 6.785 11.442 550 HD3 LYS 67 HD1 LYS 67 8.699 7.920 12.326 551 HE2 LYS 67 HE2 LYS 67 6.630 7.501 13.537 552 HE3 LYS 67 HE1 LYS 67 6.697 9.176 12.999 553 HZ1 LYS 67 HZ1 LYS 67 5.219 7.006 11.617 554 HZ2 LYS 67 HZ2 LYS 67 5.180 8.646 11.199 555 HZ3 LYS 67 HZ3 LYS 67 4.522 8.121 12.656 556 H GLY 68 HN GLY 68 11.607 6.547 9.719 557 HA2 GLY 68 HA2 GLY 68 13.027 5.918 11.847 558 HA3 GLY 68 HA1 GLY 68 11.411 5.749 12.529 559 H LEU 69 HN LEU 69 10.306 4.804 10.004 560 HA LEU 69 HA LEU 69 11.102 2.026 10.263 561 HB2 LEU 69 HB2 LEU 69 8.935 3.325 8.587 562 HB3 LEU 69 HB1 LEU 69 9.261 1.608 8.574 563 HG LEU 69 HG LEU 69 7.347 1.955 9.921 564 HD11 LEU 69 HD11 LEU 69 8.844 0.281 10.767 565 HD12 LEU 69 HD12 LEU 69 7.992 1.084 12.086 566 HD13 LEU 69 HD13 LEU 69 9.672 1.488 11.755 567 HD21 LEU 69 HD21 LEU 69 8.916 3.966 11.540 568 HD22 LEU 69 HD22 LEU 69 7.273 3.422 11.888 569 HD23 LEU 69 HD23 LEU 69 7.612 4.339 10.416 570 H GLU 70 HN GLU 70 12.191 4.561 8.675 571 HA GLU 70 HA GLU 70 13.913 3.088 7.006 572 HB2 GLU 70 HB2 GLU 70 11.837 3.479 5.571 573 HB3 GLU 70 HB1 GLU 70 12.046 5.194 5.831 574 HG2 GLU 70 HG2 GLU 70 14.080 3.457 4.427 575 HG3 GLU 70 HG1 GLU 70 12.788 4.305 3.594 576 H HIS 71 HN HIS 71 15.775 4.248 7.076 577 HA HIS 71 HA HIS 71 15.753 7.042 7.410 578 HB2 HIS 71 HB2 HIS 71 17.174 7.154 9.466 579 HB3 HIS 71 HB1 HIS 71 15.577 6.512 9.795 580 HD1 HIS 71 HD1 HIS 71 19.186 5.785 10.105 581 HD2 HIS 71 HD2 HIS 71 15.597 3.707 10.417 582 HE1 HIS 71 HE1 HIS 71 19.731 3.688 11.312 583 HE2 HIS 71 HE2 HIS 71 17.637 2.346 11.271 584 H HIS 72 HN HIS 72 16.701 7.243 5.664 585 HA HIS 72 HA HIS 72 18.728 5.994 4.379 586 HB2 HIS 72 HB2 HIS 72 19.297 8.208 3.323 587 HB3 HIS 72 HB1 HIS 72 17.601 7.750 3.246 588 HD1 HIS 72 HD1 HIS 72 19.912 10.297 4.721 589 HD2 HIS 72 HD2 HIS 72 15.873 9.371 4.746 590 HE1 HIS 72 HE1 HIS 72 18.785 12.239 5.816 591 HE2 HIS 72 HE2 HIS 72 16.491 11.338 6.238 592 H HIS 73 HN HIS 73 19.162 8.061 7.141 593 HA HIS 73 HA HIS 73 22.031 8.129 6.807 594 HB2 HIS 73 HB2 HIS 73 20.842 10.064 7.804 595 HB3 HIS 73 HB1 HIS 73 20.294 9.040 9.119 596 HD1 HIS 73 HD1 HIS 73 23.294 10.848 7.845 597 HD2 HIS 73 HD2 HIS 73 22.259 8.473 11.083 598 HE1 HIS 73 HE1 HIS 73 25.142 11.126 9.485 599 HE2 HIS 73 HE2 HIS 73 24.460 9.760 11.488 600 H HIS 74 HN HIS 74 23.095 6.307 7.179 601 HA HIS 74 HA HIS 74 22.364 4.724 9.553 602 HB2 HIS 74 HB2 HIS 74 23.710 3.762 7.002 603 HB3 HIS 74 HB1 HIS 74 23.403 2.784 8.417 604 HD1 HIS 74 HD1 HIS 74 21.198 1.565 8.483 605 HD2 HIS 74 HD2 HIS 74 21.328 4.486 5.538 606 HE1 HIS 74 HE1 HIS 74 19.119 1.246 7.122 607 HE2 HIS 74 HE2 HIS 74 19.146 3.128 5.465 608 H HIS 75 HN HIS 75 24.083 4.267 10.949 609 HA HIS 75 HA HIS 75 26.568 5.650 10.470 610 HB2 HIS 75 HB2 HIS 75 25.709 5.393 12.797 611 HB3 HIS 75 HB1 HIS 75 25.832 3.647 12.652 612 HD1 HIS 75 HD1 HIS 75 28.027 2.644 13.462 613 HD2 HIS 75 HD2 HIS 75 28.338 6.709 12.629 614 HE1 HIS 75 HE1 HIS 75 30.329 3.309 14.147 615 HE2 HIS 75 HE2 HIS 75 30.441 5.779 13.781 616 H HIS 76 HN HIS 76 25.231 2.513 10.148 617 HA HIS 76 HA HIS 76 27.642 1.588 8.806 618 HB2 HIS 76 HB2 HIS 76 27.369 0.299 10.845 619 HB3 HIS 76 HB1 HIS 76 25.658 0.061 10.517 620 HD1 HIS 76 HD1 HIS 76 29.058 -1.089 9.391 621 HD2 HIS 76 HD2 HIS 76 25.074 -2.101 8.918 622 HE1 HIS 76 HE1 HIS 76 29.054 -3.350 8.297 623 HE2 HIS 76 HE2 HIS 76 26.679 -3.633 7.638 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 23.435 -12.761 -12.033 2 H2 GLU 1 HT2 GLU 1 21.903 -13.217 -11.545 3 H3 GLU 1 HT3 GLU 1 23.257 -13.742 -10.664 4 HA GLU 1 HA GLU 1 22.134 -11.942 -9.529 5 HB2 GLU 1 HB2 GLU 1 24.542 -12.064 -9.269 6 HB3 GLU 1 HB1 GLU 1 24.786 -11.214 -10.786 7 HG2 GLU 1 HG2 GLU 1 23.547 -9.278 -9.753 8 HG3 GLU 1 HG1 GLU 1 23.658 -10.146 -8.229 9 H ASP 2 HN ASP 2 20.630 -10.404 -9.900 10 HA ASP 2 HA ASP 2 21.161 -8.081 -11.324 11 HB2 ASP 2 HB2 ASP 2 20.719 -9.625 -13.306 12 HB3 ASP 2 HB1 ASP 2 19.065 -9.766 -12.721 13 H MET 3 HN MET 3 20.267 -6.845 -9.847 14 HA MET 3 HA MET 3 17.889 -7.720 -8.459 15 HB2 MET 3 HB2 MET 3 18.121 -5.737 -7.058 16 HB3 MET 3 HB1 MET 3 19.664 -6.563 -7.172 17 HG2 MET 3 HG2 MET 3 20.465 -4.902 -8.750 18 HG3 MET 3 HG1 MET 3 18.891 -4.117 -8.754 19 HE1 MET 3 HE1 MET 3 21.180 -1.539 -6.894 20 HE2 MET 3 HE2 MET 3 20.080 -1.800 -8.249 21 HE3 MET 3 HE3 MET 3 21.653 -2.600 -8.221 22 H GLU 4 HN GLU 4 15.905 -6.932 -8.683 23 HA GLU 4 HA GLU 4 15.507 -4.936 -10.779 24 HB2 GLU 4 HB2 GLU 4 13.762 -7.252 -9.966 25 HB3 GLU 4 HB1 GLU 4 13.261 -5.980 -11.069 26 HG2 GLU 4 HG2 GLU 4 14.931 -6.615 -12.645 27 HG3 GLU 4 HG1 GLU 4 15.618 -7.785 -11.516 28 HA PRO 5 HA PRO 5 14.010 -2.890 -6.979 29 HB2 PRO 5 HB2 PRO 5 14.450 -0.511 -8.684 30 HB3 PRO 5 HB1 PRO 5 15.075 -0.846 -7.065 31 HG2 PRO 5 HG2 PRO 5 16.689 -0.896 -9.189 32 HG3 PRO 5 HG1 PRO 5 16.872 -2.064 -7.865 33 HD2 PRO 5 HD2 PRO 5 15.550 -2.443 -10.537 34 HD3 PRO 5 HD1 PRO 5 16.672 -3.520 -9.682 35 H CYS 6 HN CYS 6 11.870 -3.014 -6.874 36 HA CYS 6 HA CYS 6 10.264 -1.832 -9.006 37 HB2 CYS 6 HB2 CYS 6 9.706 -4.488 -7.675 38 HB3 CYS 6 HB1 CYS 6 8.773 -3.745 -8.964 39 HG CYS 6 HG CYS 6 11.874 -5.079 -9.113 40 H LEU 7 HN LEU 7 8.466 -0.726 -8.186 41 HA LEU 7 HA LEU 7 8.243 -0.496 -5.330 42 HB2 LEU 7 HB2 LEU 7 6.470 1.076 -5.608 43 HB3 LEU 7 HB1 LEU 7 7.584 1.401 -6.910 44 HG LEU 7 HG LEU 7 4.972 -0.103 -7.203 45 HD11 LEU 7 HD11 LEU 7 4.618 2.203 -6.562 46 HD12 LEU 7 HD12 LEU 7 4.120 1.939 -8.233 47 HD13 LEU 7 HD13 LEU 7 5.647 2.752 -7.885 48 HD21 LEU 7 HD21 LEU 7 6.573 -0.692 -8.930 49 HD22 LEU 7 HD22 LEU 7 6.870 1.011 -9.270 50 HD23 LEU 7 HD23 LEU 7 5.285 0.304 -9.612 51 H THR 8 HN THR 8 6.857 -2.379 -7.800 52 HA THR 8 HA THR 8 4.689 -3.502 -6.458 53 HB THR 8 HB THR 8 6.525 -4.665 -8.547 54 HG1 THR 8 HG1 THR 8 4.195 -3.038 -8.705 55 HG21 THR 8 HG21 THR 8 3.637 -5.298 -7.881 56 HG22 THR 8 HG22 THR 8 5.016 -6.323 -7.495 57 HG23 THR 8 HG23 THR 8 4.576 -6.030 -9.180 58 H GLY 9 HN GLY 9 4.715 -4.836 -4.779 59 HA2 GLY 9 HA2 GLY 9 5.460 -6.715 -3.568 60 HA3 GLY 9 HA1 GLY 9 7.057 -6.524 -4.285 61 H THR 10 HN THR 10 6.469 -3.491 -3.570 62 HA THR 10 HA THR 10 7.967 -3.583 -1.124 63 HB THR 10 HB THR 10 6.690 -1.301 -2.600 64 HG1 THR 10 HG1 THR 10 8.411 -2.434 -3.730 65 HG21 THR 10 HG21 THR 10 8.753 -1.234 -0.383 66 HG22 THR 10 HG22 THR 10 7.077 -0.661 -0.304 67 HG23 THR 10 HG23 THR 10 8.238 0.164 -1.334 68 H LYS 11 HN LYS 11 7.202 -3.417 0.840 69 HA LYS 11 HA LYS 11 4.332 -3.390 1.225 70 HB2 LYS 11 HB2 LYS 11 4.788 -3.977 3.566 71 HB3 LYS 11 HB1 LYS 11 5.524 -5.111 2.447 72 HG2 LYS 11 HG2 LYS 11 7.711 -4.056 2.818 73 HG3 LYS 11 HG1 LYS 11 6.962 -2.897 3.912 74 HD2 LYS 11 HD2 LYS 11 7.009 -5.891 4.313 75 HD3 LYS 11 HD1 LYS 11 8.089 -4.744 5.103 76 HE2 LYS 11 HE2 LYS 11 5.075 -4.774 5.384 77 HE3 LYS 11 HE1 LYS 11 6.220 -5.447 6.534 78 HZ1 LYS 11 HZ1 LYS 11 5.427 -3.228 7.162 79 HZ2 LYS 11 HZ2 LYS 11 6.106 -2.570 5.773 80 HZ3 LYS 11 HZ3 LYS 11 7.096 -3.245 6.941 81 H VAL 12 HN VAL 12 3.303 -1.649 1.478 82 HA VAL 12 HA VAL 12 4.622 0.669 2.706 83 HB VAL 12 HB VAL 12 2.922 2.031 1.585 84 HG11 VAL 12 HG11 VAL 12 3.673 1.720 -0.721 85 HG12 VAL 12 HG12 VAL 12 4.320 0.137 -0.287 86 HG13 VAL 12 HG13 VAL 12 5.004 1.598 0.428 87 HG21 VAL 12 HG21 VAL 12 1.963 -0.555 0.339 88 HG22 VAL 12 HG22 VAL 12 1.334 1.069 0.000 89 HG23 VAL 12 HG23 VAL 12 1.119 0.349 1.590 90 H LYS 13 HN LYS 13 2.722 2.117 3.691 91 HA LYS 13 HA LYS 13 1.000 0.267 5.150 92 HB2 LYS 13 HB2 LYS 13 2.788 1.657 6.430 93 HB3 LYS 13 HB1 LYS 13 1.687 3.000 6.138 94 HG2 LYS 13 HG2 LYS 13 -0.104 1.838 7.255 95 HG3 LYS 13 HG1 LYS 13 0.937 0.455 7.546 96 HD2 LYS 13 HD2 LYS 13 1.035 3.192 8.774 97 HD3 LYS 13 HD1 LYS 13 0.950 1.580 9.516 98 HE2 LYS 13 HE2 LYS 13 3.249 1.145 8.624 99 HE3 LYS 13 HE1 LYS 13 3.238 2.842 8.116 100 HZ1 LYS 13 HZ1 LYS 13 3.065 3.546 10.402 101 HZ2 LYS 13 HZ2 LYS 13 4.374 2.493 10.300 102 HZ3 LYS 13 HZ3 LYS 13 2.937 1.963 10.941 103 H VAL 14 HN VAL 14 -1.142 0.810 5.227 104 HA VAL 14 HA VAL 14 -1.890 2.986 3.450 105 HB VAL 14 HB VAL 14 -3.194 0.264 3.812 106 HG11 VAL 14 HG11 VAL 14 -4.885 1.987 3.548 107 HG12 VAL 14 HG12 VAL 14 -4.769 0.953 2.120 108 HG13 VAL 14 HG13 VAL 14 -4.065 2.572 2.098 109 HG21 VAL 14 HG21 VAL 14 -1.846 1.521 1.412 110 HG22 VAL 14 HG22 VAL 14 -2.657 -0.041 1.437 111 HG23 VAL 14 HG23 VAL 14 -1.206 0.210 2.403 112 H LYS 15 HN LYS 15 -3.168 4.408 4.240 113 HA LYS 15 HA LYS 15 -4.494 4.045 6.850 114 HB2 LYS 15 HB2 LYS 15 -2.903 5.949 6.530 115 HB3 LYS 15 HB1 LYS 15 -3.926 6.548 5.225 116 HG2 LYS 15 HG2 LYS 15 -5.756 6.638 7.054 117 HG3 LYS 15 HG1 LYS 15 -4.395 6.533 8.178 118 HD2 LYS 15 HD2 LYS 15 -3.353 8.482 7.082 119 HD3 LYS 15 HD1 LYS 15 -4.747 8.612 6.013 120 HE2 LYS 15 HE2 LYS 15 -5.134 10.202 7.690 121 HE3 LYS 15 HE1 LYS 15 -6.135 8.827 8.142 122 HZ1 LYS 15 HZ1 LYS 15 -4.982 9.706 10.043 123 HZ2 LYS 15 HZ2 LYS 15 -3.497 9.531 9.272 124 HZ3 LYS 15 HZ3 LYS 15 -4.361 8.168 9.734 125 H TYR 16 HN TYR 16 -6.484 3.252 6.427 126 HA TYR 16 HA TYR 16 -7.887 4.105 3.992 127 HB2 TYR 16 HB2 TYR 16 -7.225 1.690 4.450 128 HB3 TYR 16 HB1 TYR 16 -8.414 1.712 5.734 129 HD1 TYR 16 HD2 TYR 16 -7.852 1.749 2.146 130 HD2 TYR 16 HD1 TYR 16 -10.799 1.622 5.200 131 HE1 TYR 16 HE2 TYR 16 -9.497 0.994 0.504 132 HE2 TYR 16 HE1 TYR 16 -12.458 0.838 3.557 133 HH TYR 16 HH TYR 16 -11.559 -0.451 0.712 134 H GLY 17 HN GLY 17 -9.243 5.747 4.528 135 HA2 GLY 17 HA2 GLY 17 -10.674 5.539 7.071 136 HA3 GLY 17 HA1 GLY 17 -10.200 7.056 6.327 137 H ARG 18 HN ARG 18 -12.631 4.945 6.831 138 HA ARG 18 HA ARG 18 -14.393 6.461 5.105 139 HB2 ARG 18 HB2 ARG 18 -14.038 4.543 3.710 140 HB3 ARG 18 HB1 ARG 18 -14.119 3.448 5.076 141 HG2 ARG 18 HG2 ARG 18 -16.460 3.719 5.282 142 HG3 ARG 18 HG1 ARG 18 -16.523 5.031 4.087 143 HD2 ARG 18 HD2 ARG 18 -17.275 3.000 3.074 144 HD3 ARG 18 HD1 ARG 18 -15.667 3.332 2.428 145 HE ARG 18 HE ARG 18 -16.089 1.517 4.685 146 HH11 ARG 18 HH11 ARG 18 -14.618 2.148 1.516 147 HH12 ARG 18 HH12 ARG 18 -13.873 0.632 1.410 148 HH21 ARG 18 HH21 ARG 18 -15.134 -0.615 4.479 149 HH22 ARG 18 HH22 ARG 18 -14.211 -0.988 3.103 150 H GLY 19 HN GLY 19 -15.502 7.380 6.706 151 HA2 GLY 19 HA2 GLY 19 -16.712 7.679 8.647 152 HA3 GLY 19 HA1 GLY 19 -17.521 6.219 8.115 153 H LYS 20 HN LYS 20 -17.500 4.569 9.455 154 HA LYS 20 HA LYS 20 -15.789 4.669 11.817 155 HB2 LYS 20 HB2 LYS 20 -18.209 4.400 12.137 156 HB3 LYS 20 HB1 LYS 20 -18.189 2.936 11.173 157 HG2 LYS 20 HG2 LYS 20 -18.322 2.393 13.520 158 HG3 LYS 20 HG1 LYS 20 -16.773 1.861 12.863 159 HD2 LYS 20 HD2 LYS 20 -15.711 3.873 13.799 160 HD3 LYS 20 HD1 LYS 20 -17.264 4.351 14.494 161 HE2 LYS 20 HE2 LYS 20 -17.297 2.302 15.818 162 HE3 LYS 20 HE1 LYS 20 -15.771 1.805 15.092 163 HZ1 LYS 20 HZ1 LYS 20 -16.184 4.178 16.833 164 HZ2 LYS 20 HZ2 LYS 20 -14.747 3.779 16.070 165 HZ3 LYS 20 HZ3 LYS 20 -15.361 2.760 17.239 166 H THR 21 HN THR 21 -15.925 3.151 8.822 167 HA THR 21 HA THR 21 -14.773 0.596 9.603 168 HB THR 21 HB THR 21 -14.928 0.006 7.227 169 HG1 THR 21 HG1 THR 21 -15.261 2.787 6.961 170 HG21 THR 21 HG21 THR 21 -17.052 -0.065 8.496 171 HG22 THR 21 HG22 THR 21 -17.280 0.376 6.783 172 HG23 THR 21 HG23 THR 21 -17.325 1.621 8.008 173 H GLN 22 HN GLN 22 -13.283 3.109 10.039 174 HA GLN 22 HA GLN 22 -11.094 3.146 8.154 175 HB2 GLN 22 HB2 GLN 22 -11.788 5.271 9.056 176 HB3 GLN 22 HB1 GLN 22 -11.594 4.693 10.701 177 HG2 GLN 22 HG2 GLN 22 -9.183 4.572 10.405 178 HG3 GLN 22 HG1 GLN 22 -9.337 5.063 8.724 179 HE21 GLN 22 HE21 GLN 22 -9.723 7.214 8.258 180 HE22 GLN 22 HE22 GLN 22 -9.602 8.459 9.436 181 H LYS 23 HN LYS 23 -9.094 2.338 8.423 182 HA LYS 23 HA LYS 23 -8.023 1.621 10.917 183 HB2 LYS 23 HB2 LYS 23 -7.629 -0.814 10.483 184 HB3 LYS 23 HB1 LYS 23 -9.332 -0.452 10.675 185 HG2 LYS 23 HG2 LYS 23 -8.081 -0.704 7.984 186 HG3 LYS 23 HG1 LYS 23 -8.617 -2.110 8.900 187 HD2 LYS 23 HD2 LYS 23 -10.868 -1.153 9.031 188 HD3 LYS 23 HD1 LYS 23 -10.322 0.240 8.097 189 HE2 LYS 23 HE2 LYS 23 -9.758 -1.197 6.259 190 HE3 LYS 23 HE1 LYS 23 -10.234 -2.604 7.219 191 HZ1 LYS 23 HZ1 LYS 23 -11.943 -1.829 5.594 192 HZ2 LYS 23 HZ2 LYS 23 -12.146 -0.426 6.557 193 HZ3 LYS 23 HZ3 LYS 23 -12.473 -1.942 7.176 194 H ILE 24 HN ILE 24 -5.813 0.925 10.730 195 HA ILE 24 HA ILE 24 -4.661 1.758 8.184 196 HB ILE 24 HB ILE 24 -3.529 2.096 11.001 197 HG12 ILE 24 HG12 ILE 24 -3.303 4.533 10.332 198 HG13 ILE 24 HG11 ILE 24 -4.231 4.185 8.893 199 HG21 ILE 24 HG21 ILE 24 -1.517 3.064 9.986 200 HG22 ILE 24 HG22 ILE 24 -2.130 2.610 8.393 201 HG23 ILE 24 HG23 ILE 24 -1.743 1.365 9.576 202 HD11 ILE 24 HD11 ILE 24 -6.155 3.580 10.314 203 HD12 ILE 24 HD12 ILE 24 -5.608 5.227 10.611 204 HD13 ILE 24 HD13 ILE 24 -5.194 3.943 11.746 205 H TYR 25 HN TYR 25 -3.459 0.287 7.203 206 HA TYR 25 HA TYR 25 -2.382 -1.931 8.677 207 HB2 TYR 25 HB2 TYR 25 -3.349 -3.508 6.767 208 HB3 TYR 25 HB1 TYR 25 -4.291 -3.176 8.216 209 HD1 TYR 25 HD2 TYR 25 -3.819 -0.988 5.241 210 HD2 TYR 25 HD1 TYR 25 -6.400 -3.554 7.409 211 HE1 TYR 25 HE2 TYR 25 -5.695 -0.336 3.774 212 HE2 TYR 25 HE1 TYR 25 -8.267 -2.920 5.964 213 HH TYR 25 HH TYR 25 -7.850 -1.448 3.069 214 H GLU 26 HN GLU 26 -1.118 -3.386 7.218 215 HA GLU 26 HA GLU 26 0.358 -1.623 5.404 216 HB2 GLU 26 HB2 GLU 26 1.296 -3.962 7.067 217 HB3 GLU 26 HB1 GLU 26 2.297 -3.076 5.906 218 HG2 GLU 26 HG2 GLU 26 2.158 -1.114 7.204 219 HG3 GLU 26 HG1 GLU 26 0.975 -1.843 8.292 220 H ALA 27 HN ALA 27 0.850 -2.342 3.379 221 HA ALA 27 HA ALA 27 -0.046 -4.987 2.570 222 HB1 ALA 27 HB1 ALA 27 -1.062 -2.430 1.342 223 HB2 ALA 27 HB2 ALA 27 -2.012 -3.569 2.306 224 HB3 ALA 27 HB3 ALA 27 -1.376 -4.059 0.737 225 H SER 28 HN SER 28 0.693 -5.438 0.346 226 HA SER 28 HA SER 28 3.177 -4.006 -0.199 227 HB2 SER 28 HB2 SER 28 2.272 -6.679 -1.260 228 HB3 SER 28 HB1 SER 28 3.913 -6.025 -1.200 229 HG SER 28 HG SER 28 4.097 -6.878 0.700 230 H ILE 29 HN ILE 29 3.443 -3.061 -2.158 231 HA ILE 29 HA ILE 29 1.132 -2.365 -3.628 232 HB ILE 29 HB ILE 29 4.039 -1.981 -4.401 233 HG12 ILE 29 HG12 ILE 29 3.588 -0.880 -2.316 234 HG13 ILE 29 HG11 ILE 29 3.657 0.342 -3.574 235 HG21 ILE 29 HG21 ILE 29 3.216 -0.196 -5.891 236 HG22 ILE 29 HG22 ILE 29 1.558 -0.649 -5.499 237 HG23 ILE 29 HG23 ILE 29 2.601 -1.782 -6.361 238 HD11 ILE 29 HD11 ILE 29 1.823 0.844 -2.106 239 HD12 ILE 29 HD12 ILE 29 1.184 -0.783 -2.272 240 HD13 ILE 29 HD13 ILE 29 1.156 0.314 -3.653 241 H LYS 30 HN LYS 30 0.164 -3.233 -5.277 242 HA LYS 30 HA LYS 30 1.330 -5.625 -6.482 243 HB2 LYS 30 HB2 LYS 30 -0.893 -5.801 -5.405 244 HB3 LYS 30 HB1 LYS 30 -1.474 -4.524 -6.446 245 HG2 LYS 30 HG2 LYS 30 -2.313 -6.573 -7.292 246 HG3 LYS 30 HG1 LYS 30 -1.047 -6.040 -8.397 247 HD2 LYS 30 HD2 LYS 30 0.501 -7.619 -7.404 248 HD3 LYS 30 HD1 LYS 30 -0.703 -8.078 -6.207 249 HE2 LYS 30 HE2 LYS 30 -0.664 -9.732 -7.994 250 HE3 LYS 30 HE1 LYS 30 -2.190 -8.838 -7.956 251 HZ1 LYS 30 HZ1 LYS 30 -1.277 -9.181 -10.207 252 HZ2 LYS 30 HZ2 LYS 30 0.035 -8.231 -9.836 253 HZ3 LYS 30 HZ3 LYS 30 -1.525 -7.567 -9.848 254 H SER 31 HN SER 31 -0.717 -2.808 -7.449 255 HA SER 31 HA SER 31 0.953 -2.389 -9.776 256 HB2 SER 31 HB2 SER 31 -2.035 -2.896 -9.950 257 HB3 SER 31 HB1 SER 31 -0.987 -2.444 -11.294 258 HG SER 31 HG SER 31 -1.405 -4.688 -11.203 259 H THR 32 HN THR 32 0.382 -0.237 -10.784 260 HA THR 32 HA THR 32 -1.162 1.499 -8.969 261 HB THR 32 HB THR 32 0.994 2.626 -10.659 262 HG1 THR 32 HG1 THR 32 1.925 0.800 -9.371 263 HG21 THR 32 HG21 THR 32 -0.045 3.255 -7.920 264 HG22 THR 32 HG22 THR 32 -0.458 4.073 -9.432 265 HG23 THR 32 HG23 THR 32 1.184 4.175 -8.783 266 H GLU 33 HN GLU 33 -2.527 2.859 -10.044 267 HA GLU 33 HA GLU 33 -2.406 2.959 -12.940 268 HB2 GLU 33 HB2 GLU 33 -4.814 1.888 -11.495 269 HB3 GLU 33 HB1 GLU 33 -4.853 2.514 -13.137 270 HG2 GLU 33 HG2 GLU 33 -3.244 0.833 -13.824 271 HG3 GLU 33 HG1 GLU 33 -3.215 0.171 -12.190 272 H ILE 34 HN ILE 34 -3.925 4.427 -13.857 273 HA ILE 34 HA ILE 34 -4.325 6.697 -12.062 274 HB ILE 34 HB ILE 34 -3.898 6.635 -15.056 275 HG12 ILE 34 HG12 ILE 34 -1.923 8.137 -14.569 276 HG13 ILE 34 HG11 ILE 34 -2.219 7.848 -12.864 277 HG21 ILE 34 HG21 ILE 34 -4.476 9.031 -13.327 278 HG22 ILE 34 HG22 ILE 34 -5.548 8.315 -14.527 279 HG23 ILE 34 HG23 ILE 34 -4.040 9.078 -15.036 280 HD11 ILE 34 HD11 ILE 34 -1.728 5.534 -13.134 281 HD12 ILE 34 HD12 ILE 34 -0.371 6.504 -13.725 282 HD13 ILE 34 HD13 ILE 34 -1.486 5.725 -14.868 283 H ASP 35 HN ASP 35 -6.326 7.367 -11.826 284 HA ASP 35 HA ASP 35 -8.403 6.457 -13.670 285 HB2 ASP 35 HB2 ASP 35 -8.376 4.906 -11.737 286 HB3 ASP 35 HB1 ASP 35 -8.592 6.281 -10.658 287 H ASP 36 HN ASP 36 -9.256 8.201 -14.418 288 HA ASP 36 HA ASP 36 -10.237 10.200 -14.663 289 HB2 ASP 36 HB2 ASP 36 -11.738 9.186 -12.886 290 HB3 ASP 36 HB1 ASP 36 -10.821 10.086 -11.689 291 H GLY 37 HN GLY 37 -7.437 10.173 -14.156 292 HA2 GLY 37 HA2 GLY 37 -6.032 12.095 -14.367 293 HA3 GLY 37 HA1 GLY 37 -7.200 12.995 -13.421 294 H GLU 38 HN GLU 38 -7.002 10.409 -11.569 295 HA GLU 38 HA GLU 38 -4.621 11.449 -10.243 296 HB2 GLU 38 HB2 GLU 38 -5.713 10.972 -8.091 297 HB3 GLU 38 HB1 GLU 38 -6.571 12.170 -9.040 298 HG2 GLU 38 HG2 GLU 38 -8.066 10.228 -9.776 299 HG3 GLU 38 HG1 GLU 38 -7.309 9.345 -8.443 300 H VAL 39 HN VAL 39 -3.406 9.970 -8.922 301 HA VAL 39 HA VAL 39 -3.373 7.346 -10.241 302 HB VAL 39 HB VAL 39 -1.189 8.427 -8.479 303 HG11 VAL 39 HG11 VAL 39 0.253 6.878 -9.800 304 HG12 VAL 39 HG12 VAL 39 -1.176 6.336 -10.668 305 HG13 VAL 39 HG13 VAL 39 -1.047 6.058 -8.950 306 HG21 VAL 39 HG21 VAL 39 -1.445 8.889 -11.457 307 HG22 VAL 39 HG22 VAL 39 -0.021 9.255 -10.492 308 HG23 VAL 39 HG23 VAL 39 -1.534 10.116 -10.201 309 H LEU 40 HN LEU 40 -3.962 5.624 -9.193 310 HA LEU 40 HA LEU 40 -3.867 5.695 -6.289 311 HB2 LEU 40 HB2 LEU 40 -5.964 4.354 -7.968 312 HB3 LEU 40 HB1 LEU 40 -5.771 4.115 -6.244 313 HG LEU 40 HG LEU 40 -6.115 6.761 -6.241 314 HD11 LEU 40 HD11 LEU 40 -7.793 7.397 -7.867 315 HD12 LEU 40 HD12 LEU 40 -7.504 5.874 -8.723 316 HD13 LEU 40 HD13 LEU 40 -6.203 7.060 -8.566 317 HD21 LEU 40 HD21 LEU 40 -8.331 4.737 -6.495 318 HD22 LEU 40 HD22 LEU 40 -8.452 6.334 -5.729 319 HD23 LEU 40 HD23 LEU 40 -7.393 5.087 -5.048 320 H TYR 41 HN TYR 41 -3.754 3.572 -5.369 321 HA TYR 41 HA TYR 41 -2.046 1.888 -7.035 322 HB2 TYR 41 HB2 TYR 41 -1.911 2.460 -4.078 323 HB3 TYR 41 HB1 TYR 41 -1.005 1.179 -4.864 324 HD1 TYR 41 HD2 TYR 41 -1.535 4.879 -5.050 325 HD2 TYR 41 HD1 TYR 41 1.140 1.630 -5.621 326 HE1 TYR 41 HE2 TYR 41 0.290 6.467 -5.526 327 HE2 TYR 41 HE1 TYR 41 2.966 3.215 -6.094 328 HH TYR 41 HH TYR 41 3.231 5.497 -6.871 329 H LEU 42 HN LEU 42 -2.333 -0.210 -6.950 330 HA LEU 42 HA LEU 42 -4.686 -1.221 -5.555 331 HB2 LEU 42 HB2 LEU 42 -4.652 -1.330 -8.086 332 HB3 LEU 42 HB1 LEU 42 -3.188 -2.271 -7.990 333 HG LEU 42 HG LEU 42 -5.353 -3.511 -8.530 334 HD11 LEU 42 HD11 LEU 42 -4.798 -5.469 -7.202 335 HD12 LEU 42 HD12 LEU 42 -3.775 -4.481 -6.170 336 HD13 LEU 42 HD13 LEU 42 -3.360 -4.712 -7.873 337 HD21 LEU 42 HD21 LEU 42 -5.828 -3.166 -5.586 338 HD22 LEU 42 HD22 LEU 42 -6.793 -4.127 -6.720 339 HD23 LEU 42 HD23 LEU 42 -6.733 -2.376 -6.871 340 H VAL 43 HN VAL 43 -4.123 -2.339 -3.829 341 HA VAL 43 HA VAL 43 -1.323 -3.261 -3.634 342 HB VAL 43 HB VAL 43 -1.289 -2.639 -1.311 343 HG11 VAL 43 HG11 VAL 43 -1.564 -0.230 -1.398 344 HG12 VAL 43 HG12 VAL 43 -2.502 -0.394 -2.880 345 HG13 VAL 43 HG13 VAL 43 -0.808 -0.854 -2.869 346 HG21 VAL 43 HG21 VAL 43 -3.215 -1.590 -0.159 347 HG22 VAL 43 HG22 VAL 43 -3.615 -3.222 -0.693 348 HG23 VAL 43 HG23 VAL 43 -4.202 -1.828 -1.600 349 H HIS 44 HN HIS 44 -0.940 -5.140 -2.512 350 HA HIS 44 HA HIS 44 -3.281 -6.832 -1.999 351 HB2 HIS 44 HB2 HIS 44 -2.053 -8.833 -2.731 352 HB3 HIS 44 HB1 HIS 44 -1.998 -7.662 -4.031 353 HD1 HIS 44 HD1 HIS 44 0.153 -9.948 -2.141 354 HD2 HIS 44 HD2 HIS 44 0.694 -6.331 -4.150 355 HE1 HIS 44 HE1 HIS 44 2.577 -9.763 -2.541 356 HE2 HIS 44 HE2 HIS 44 2.849 -7.776 -4.006 357 H TYR 45 HN TYR 45 -3.348 -7.621 -0.001 358 HA TYR 45 HA TYR 45 -1.426 -6.521 1.800 359 HB2 TYR 45 HB2 TYR 45 -3.829 -8.284 2.339 360 HB3 TYR 45 HB1 TYR 45 -2.875 -7.457 3.569 361 HD1 TYR 45 HD2 TYR 45 -5.304 -7.000 0.840 362 HD2 TYR 45 HD1 TYR 45 -3.079 -5.071 3.907 363 HE1 TYR 45 HE2 TYR 45 -6.680 -4.982 0.557 364 HE2 TYR 45 HE1 TYR 45 -4.450 -3.047 3.623 365 HH TYR 45 HH TYR 45 -7.335 -2.969 1.779 366 H TYR 46 HN TYR 46 0.470 -7.437 1.654 367 HA TYR 46 HA TYR 46 2.166 -8.783 1.883 368 HB2 TYR 46 HB2 TYR 46 0.272 -10.104 3.754 369 HB3 TYR 46 HB1 TYR 46 1.934 -10.684 3.554 370 HD1 TYR 46 HD2 TYR 46 3.806 -9.040 4.017 371 HD2 TYR 46 HD1 TYR 46 -0.220 -8.283 5.163 372 HE1 TYR 46 HE2 TYR 46 4.586 -7.356 5.622 373 HE2 TYR 46 HE1 TYR 46 0.561 -6.596 6.778 374 HH TYR 46 HH TYR 46 2.531 -6.045 8.013 375 H GLY 47 HN GLY 47 -0.403 -11.231 1.775 376 HA2 GLY 47 HA2 GLY 47 1.269 -13.040 0.306 377 HA3 GLY 47 HA1 GLY 47 -0.415 -13.287 0.735 378 H TRP 48 HN TRP 48 -1.997 -12.832 -0.761 379 HA TRP 48 HA TRP 48 -1.139 -11.753 -3.340 380 HB2 TRP 48 HB2 TRP 48 -2.682 -14.334 -2.917 381 HB3 TRP 48 HB1 TRP 48 -2.454 -13.558 -4.478 382 HD1 TRP 48 HD1 TRP 48 -0.889 -16.035 -2.198 383 HE1 TRP 48 HE1 TRP 48 1.419 -16.737 -3.084 384 HE3 TRP 48 HE3 TRP 48 -0.266 -12.429 -5.779 385 HZ2 TRP 48 HZ2 TRP 48 3.268 -15.874 -5.042 386 HZ3 TRP 48 HZ3 TRP 48 1.805 -12.437 -7.107 387 HH2 TRP 48 HH2 TRP 48 3.530 -14.125 -6.748 388 H ASN 49 HN ASN 49 -3.611 -12.256 -4.606 389 HA ASN 49 HA ASN 49 -5.192 -10.068 -3.854 390 HB2 ASN 49 HB2 ASN 49 -5.211 -10.932 -6.123 391 HB3 ASN 49 HB1 ASN 49 -5.787 -12.495 -5.566 392 HD21 ASN 49 HD21 ASN 49 -6.657 -9.199 -6.239 393 HD22 ASN 49 HD22 ASN 49 -8.365 -9.474 -6.250 394 H VAL 50 HN VAL 50 -6.180 -9.993 -1.995 395 HA VAL 50 HA VAL 50 -7.126 -12.404 -0.785 396 HB VAL 50 HB VAL 50 -6.090 -10.865 0.733 397 HG11 VAL 50 HG11 VAL 50 -8.174 -8.797 0.040 398 HG12 VAL 50 HG12 VAL 50 -6.481 -8.769 -0.453 399 HG13 VAL 50 HG13 VAL 50 -6.904 -8.644 1.252 400 HG21 VAL 50 HG21 VAL 50 -7.910 -12.165 1.678 401 HG22 VAL 50 HG22 VAL 50 -9.056 -10.891 1.271 402 HG23 VAL 50 HG23 VAL 50 -7.793 -10.594 2.471 403 H ARG 51 HN ARG 51 -8.978 -9.379 -1.385 404 HA ARG 51 HA ARG 51 -11.260 -11.184 -1.864 405 HB2 ARG 51 HB2 ARG 51 -11.503 -9.549 0.018 406 HB3 ARG 51 HB1 ARG 51 -11.334 -8.257 -1.154 407 HG2 ARG 51 HG2 ARG 51 -13.359 -8.921 -2.270 408 HG3 ARG 51 HG1 ARG 51 -13.514 -10.319 -1.204 409 HD2 ARG 51 HD2 ARG 51 -13.576 -7.431 -0.328 410 HD3 ARG 51 HD1 ARG 51 -14.983 -8.465 -0.546 411 HE ARG 51 HE ARG 51 -13.004 -9.486 1.289 412 HH11 ARG 51 HH11 ARG 51 -16.031 -7.638 0.957 413 HH12 ARG 51 HH12 ARG 51 -16.410 -7.749 2.621 414 HH21 ARG 51 HH21 ARG 51 -13.568 -9.600 3.564 415 HH22 ARG 51 HH22 ARG 51 -15.017 -8.898 4.098 416 H TYR 52 HN TYR 52 -10.153 -7.991 -2.867 417 HA TYR 52 HA TYR 52 -10.286 -8.725 -5.698 418 HB2 TYR 52 HB2 TYR 52 -11.501 -6.156 -4.600 419 HB3 TYR 52 HB1 TYR 52 -11.436 -6.647 -6.272 420 HD1 TYR 52 HD1 TYR 52 -12.777 -8.950 -6.732 421 HD2 TYR 52 HD2 TYR 52 -13.473 -6.259 -3.517 422 HE1 TYR 52 HE1 TYR 52 -15.099 -9.750 -6.567 423 HE2 TYR 52 HE2 TYR 52 -15.781 -7.050 -3.335 424 HH TYR 52 HH TYR 52 -17.437 -8.071 -4.879 425 H ASP 53 HN ASP 53 -8.322 -8.257 -3.549 426 HA ASP 53 HA ASP 53 -6.663 -6.929 -2.715 427 HB2 ASP 53 HB2 ASP 53 -6.695 -5.810 -5.546 428 HB3 ASP 53 HB1 ASP 53 -5.426 -5.473 -4.376 429 H GLU 54 HN GLU 54 -6.146 -4.058 -3.265 430 HA GLU 54 HA GLU 54 -8.753 -2.846 -3.048 431 HB2 GLU 54 HB2 GLU 54 -8.240 -3.735 -0.699 432 HB3 GLU 54 HB1 GLU 54 -6.904 -2.613 -0.651 433 HG2 GLU 54 HG2 GLU 54 -8.213 -0.853 -0.256 434 HG3 GLU 54 HG1 GLU 54 -9.483 -1.419 -1.338 435 H TRP 55 HN TRP 55 -8.827 -0.633 -3.174 436 HA TRP 55 HA TRP 55 -6.482 0.446 -4.538 437 HB2 TRP 55 HB2 TRP 55 -9.415 1.012 -4.813 438 HB3 TRP 55 HB1 TRP 55 -8.158 1.996 -5.550 439 HD1 TRP 55 HD1 TRP 55 -9.643 -1.536 -5.719 440 HE1 TRP 55 HE1 TRP 55 -9.087 -2.489 -8.074 441 HE3 TRP 55 HE3 TRP 55 -6.595 2.179 -7.391 442 HZ2 TRP 55 HZ2 TRP 55 -7.529 -1.746 -10.307 443 HZ3 TRP 55 HZ3 TRP 55 -5.595 1.995 -9.611 444 HH2 TRP 55 HH2 TRP 55 -6.044 0.064 -11.041 445 H VAL 56 HN VAL 56 -5.472 1.959 -3.566 446 HA VAL 56 HA VAL 56 -6.975 3.890 -2.032 447 HB VAL 56 HB VAL 56 -5.098 4.042 -0.342 448 HG11 VAL 56 HG11 VAL 56 -7.230 2.937 0.156 449 HG12 VAL 56 HG12 VAL 56 -5.888 2.182 1.002 450 HG13 VAL 56 HG13 VAL 56 -6.569 1.408 -0.430 451 HG21 VAL 56 HG21 VAL 56 -4.299 1.361 -1.507 452 HG22 VAL 56 HG22 VAL 56 -3.597 2.124 -0.075 453 HG23 VAL 56 HG23 VAL 56 -3.390 2.860 -1.657 454 H LYS 57 HN LYS 57 -6.153 5.935 -2.106 455 HA LYS 57 HA LYS 57 -4.573 6.396 -4.463 456 HB2 LYS 57 HB2 LYS 57 -6.570 7.790 -3.869 457 HB3 LYS 57 HB1 LYS 57 -5.670 8.422 -2.501 458 HG2 LYS 57 HG2 LYS 57 -4.050 9.428 -3.999 459 HG3 LYS 57 HG1 LYS 57 -4.868 8.732 -5.391 460 HD2 LYS 57 HD2 LYS 57 -6.870 10.015 -4.871 461 HD3 LYS 57 HD1 LYS 57 -6.067 10.703 -3.454 462 HE2 LYS 57 HE2 LYS 57 -4.449 11.782 -4.820 463 HE3 LYS 57 HE1 LYS 57 -5.038 10.968 -6.266 464 HZ1 LYS 57 HZ1 LYS 57 -6.541 12.963 -4.648 465 HZ2 LYS 57 HZ2 LYS 57 -7.132 12.126 -5.985 466 HZ3 LYS 57 HZ3 LYS 57 -5.862 13.229 -6.175 467 H ALA 58 HN ALA 58 -2.716 7.891 -4.418 468 HA ALA 58 HA ALA 58 -0.591 6.904 -2.966 469 HB1 ALA 58 HB1 ALA 58 0.659 8.736 -3.862 470 HB2 ALA 58 HB2 ALA 58 -0.824 9.643 -4.158 471 HB3 ALA 58 HB3 ALA 58 -0.493 8.187 -5.088 472 H ASP 59 HN ASP 59 -2.658 9.601 -2.297 473 HA ASP 59 HA ASP 59 -1.138 10.754 -0.156 474 HB2 ASP 59 HB2 ASP 59 -4.076 11.107 -0.803 475 HB3 ASP 59 HB1 ASP 59 -3.129 12.133 0.261 476 H ARG 60 HN ARG 60 -2.998 7.989 -0.311 477 HA ARG 60 HA ARG 60 -3.867 8.054 2.495 478 HB2 ARG 60 HB2 ARG 60 -4.618 6.332 0.130 479 HB3 ARG 60 HB1 ARG 60 -5.199 6.044 1.763 480 HG2 ARG 60 HG2 ARG 60 -5.593 8.754 0.652 481 HG3 ARG 60 HG1 ARG 60 -6.564 7.455 -0.036 482 HD2 ARG 60 HD2 ARG 60 -6.351 8.026 2.917 483 HD3 ARG 60 HD1 ARG 60 -7.638 8.656 1.877 484 HE ARG 60 HE ARG 60 -7.107 5.790 2.153 485 HH11 ARG 60 HH11 ARG 60 -9.326 8.463 2.664 486 HH12 ARG 60 HH12 ARG 60 -10.753 7.554 2.536 487 HH21 ARG 60 HH21 ARG 60 -9.115 4.457 1.979 488 HH22 ARG 60 HH22 ARG 60 -10.623 5.250 2.130 489 H ILE 61 HN ILE 61 -1.184 7.267 0.871 490 HA ILE 61 HA ILE 61 -0.781 4.740 2.259 491 HB ILE 61 HB ILE 61 0.467 5.799 -0.287 492 HG12 ILE 61 HG12 ILE 61 -1.451 3.521 0.199 493 HG13 ILE 61 HG11 ILE 61 -1.820 5.045 -0.598 494 HG21 ILE 61 HG21 ILE 61 0.893 3.176 1.103 495 HG22 ILE 61 HG22 ILE 61 2.063 4.502 1.009 496 HG23 ILE 61 HG23 ILE 61 1.579 3.635 -0.460 497 HD11 ILE 61 HD11 ILE 61 -1.539 3.257 -2.189 498 HD12 ILE 61 HD12 ILE 61 0.070 2.932 -1.567 499 HD13 ILE 61 HD13 ILE 61 -0.267 4.465 -2.392 500 H ILE 62 HN ILE 62 1.012 4.579 3.522 501 HA ILE 62 HA ILE 62 2.744 6.946 3.778 502 HB ILE 62 HB ILE 62 2.556 4.634 5.745 503 HG12 ILE 62 HG12 ILE 62 1.496 6.401 7.325 504 HG13 ILE 62 HG11 ILE 62 1.115 7.288 5.849 505 HG21 ILE 62 HG21 ILE 62 3.897 7.315 6.058 506 HG22 ILE 62 HG22 ILE 62 4.682 5.763 5.795 507 HG23 ILE 62 HG23 ILE 62 3.806 6.055 7.291 508 HD11 ILE 62 HD11 ILE 62 -0.229 5.375 5.087 509 HD12 ILE 62 HD12 ILE 62 -0.783 5.999 6.641 510 HD13 ILE 62 HD13 ILE 62 0.175 4.520 6.577 511 H TRP 63 HN TRP 63 4.492 6.660 2.633 512 HA TRP 63 HA TRP 63 5.406 4.024 1.949 513 HB2 TRP 63 HB2 TRP 63 6.368 6.785 1.198 514 HB3 TRP 63 HB1 TRP 63 7.127 5.301 0.638 515 HD1 TRP 63 HD1 TRP 63 3.972 7.416 0.152 516 HE1 TRP 63 HE1 TRP 63 2.779 6.604 -1.974 517 HE3 TRP 63 HE3 TRP 63 6.814 3.297 -0.827 518 HZ2 TRP 63 HZ2 TRP 63 3.018 4.473 -3.821 519 HZ3 TRP 63 HZ3 TRP 63 6.275 1.920 -2.795 520 HH2 TRP 63 HH2 TRP 63 4.417 2.496 -4.258 521 HA PRO 64 HA PRO 64 8.412 4.054 5.295 522 HB2 PRO 64 HB2 PRO 64 9.800 2.050 3.593 523 HB3 PRO 64 HB1 PRO 64 9.262 1.886 5.265 524 HG2 PRO 64 HG2 PRO 64 7.986 0.608 3.298 525 HG3 PRO 64 HG1 PRO 64 7.105 1.316 4.663 526 HD2 PRO 64 HD2 PRO 64 7.420 2.363 1.877 527 HD3 PRO 64 HD1 PRO 64 5.990 2.350 2.938 528 H LEU 65 HN LEU 65 9.855 5.643 5.280 529 HA LEU 65 HA LEU 65 11.702 6.201 3.053 530 HB2 LEU 65 HB2 LEU 65 9.123 7.456 3.387 531 HB3 LEU 65 HB1 LEU 65 10.376 8.593 3.801 532 HG LEU 65 HG LEU 65 9.709 8.909 1.517 533 HD11 LEU 65 HD11 LEU 65 12.427 7.643 1.621 534 HD12 LEU 65 HD12 LEU 65 12.027 9.324 1.974 535 HD13 LEU 65 HD13 LEU 65 11.822 8.694 0.341 536 HD21 LEU 65 HD21 LEU 65 8.822 6.726 1.014 537 HD22 LEU 65 HD22 LEU 65 10.443 6.025 1.061 538 HD23 LEU 65 HD23 LEU 65 10.018 7.184 -0.198 539 H ASP 66 HN ASP 66 12.305 8.624 3.824 540 HA ASP 66 HA ASP 66 13.947 8.065 6.012 541 HB2 ASP 66 HB2 ASP 66 14.784 9.318 4.254 542 HB3 ASP 66 HB1 ASP 66 13.479 10.482 4.335 543 H LYS 67 HN LYS 67 12.642 7.684 7.669 544 HA LYS 67 HA LYS 67 11.815 9.985 9.210 545 HB2 LYS 67 HB2 LYS 67 9.571 8.865 9.780 546 HB3 LYS 67 HB1 LYS 67 9.687 9.542 8.173 547 HG2 LYS 67 HG2 LYS 67 8.541 7.467 8.030 548 HG3 LYS 67 HG1 LYS 67 10.131 7.261 7.307 549 HD2 LYS 67 HD2 LYS 67 9.853 5.306 8.581 550 HD3 LYS 67 HD1 LYS 67 10.836 6.401 9.564 551 HE2 LYS 67 HE2 LYS 67 7.849 6.062 9.914 552 HE3 LYS 67 HE1 LYS 67 9.045 5.165 10.836 553 HZ1 LYS 67 HZ1 LYS 67 9.862 7.401 11.648 554 HZ2 LYS 67 HZ2 LYS 67 8.327 6.936 12.139 555 HZ3 LYS 67 HZ3 LYS 67 8.475 8.082 10.939 556 H GLY 68 HN GLY 68 13.914 7.959 9.226 557 HA2 GLY 68 HA2 GLY 68 14.865 7.276 11.396 558 HA3 GLY 68 HA1 GLY 68 13.284 6.591 11.763 559 H LEU 69 HN LEU 69 14.302 6.313 8.545 560 HA LEU 69 HA LEU 69 15.173 3.565 8.968 561 HB2 LEU 69 HB2 LEU 69 13.496 4.613 6.690 562 HB3 LEU 69 HB1 LEU 69 14.159 2.995 6.839 563 HG LEU 69 HG LEU 69 12.096 4.176 8.709 564 HD11 LEU 69 HD11 LEU 69 10.515 2.672 7.614 565 HD12 LEU 69 HD12 LEU 69 11.765 2.198 6.463 566 HD13 LEU 69 HD13 LEU 69 11.171 3.859 6.487 567 HD21 LEU 69 HD21 LEU 69 13.177 1.370 8.436 568 HD22 LEU 69 HD22 LEU 69 11.847 1.861 9.483 569 HD23 LEU 69 HD23 LEU 69 13.472 2.479 9.779 570 H GLU 70 HN GLU 70 17.207 4.020 8.846 571 HA GLU 70 HA GLU 70 18.374 5.490 6.599 572 HB2 GLU 70 HB2 GLU 70 20.031 4.068 8.653 573 HB3 GLU 70 HB1 GLU 70 20.316 5.628 7.905 574 HG2 GLU 70 HG2 GLU 70 19.907 6.215 10.103 575 HG3 GLU 70 HG1 GLU 70 18.304 6.400 9.392 576 H HIS 71 HN HIS 71 18.599 2.550 8.372 577 HA HIS 71 HA HIS 71 19.286 0.988 5.982 578 HB2 HIS 71 HB2 HIS 71 20.143 0.898 8.767 579 HB3 HIS 71 HB1 HIS 71 19.460 -0.638 8.262 580 HD1 HIS 71 HD1 HIS 71 22.648 0.655 8.671 581 HD2 HIS 71 HD2 HIS 71 20.776 -1.106 5.403 582 HE1 HIS 71 HE1 HIS 71 24.479 -0.254 7.245 583 HE2 HIS 71 HE2 HIS 71 23.308 -1.582 5.490 584 H HIS 72 HN HIS 72 18.097 -1.207 5.964 585 HA HIS 72 HA HIS 72 15.301 -0.646 6.325 586 HB2 HIS 72 HB2 HIS 72 16.273 -1.989 4.401 587 HB3 HIS 72 HB1 HIS 72 16.570 -3.294 5.539 588 HD1 HIS 72 HD1 HIS 72 13.846 -1.625 3.574 589 HD2 HIS 72 HD2 HIS 72 14.241 -4.739 6.298 590 HE1 HIS 72 HE1 HIS 72 11.739 -2.932 3.404 591 HE2 HIS 72 HE2 HIS 72 11.879 -4.565 5.288 592 H HIS 73 HN HIS 73 17.740 -1.998 8.257 593 HA HIS 73 HA HIS 73 17.830 -2.613 10.404 594 HB2 HIS 73 HB2 HIS 73 14.920 -1.819 10.462 595 HB3 HIS 73 HB1 HIS 73 15.728 -2.494 11.874 596 HD1 HIS 73 HD1 HIS 73 17.369 -0.946 13.136 597 HD2 HIS 73 HD2 HIS 73 15.695 0.802 9.769 598 HE1 HIS 73 HE1 HIS 73 17.985 1.459 13.258 599 HE2 HIS 73 HE2 HIS 73 17.271 2.394 11.057 600 H HIS 74 HN HIS 74 17.089 -4.402 8.213 601 HA HIS 74 HA HIS 74 17.055 -6.736 9.829 602 HB2 HIS 74 HB2 HIS 74 14.600 -6.349 9.685 603 HB3 HIS 74 HB1 HIS 74 14.712 -6.349 7.931 604 HD1 HIS 74 HD1 HIS 74 14.416 -8.602 10.855 605 HD2 HIS 74 HD2 HIS 74 15.252 -8.984 6.806 606 HE1 HIS 74 HE1 HIS 74 14.149 -11.018 10.344 607 HE2 HIS 74 HE2 HIS 74 14.265 -11.120 7.852 608 H HIS 75 HN HIS 75 18.899 -7.320 8.939 609 HA HIS 75 HA HIS 75 18.739 -8.395 6.268 610 HB2 HIS 75 HB2 HIS 75 19.707 -6.055 6.050 611 HB3 HIS 75 HB1 HIS 75 21.019 -6.571 7.099 612 HD1 HIS 75 HD1 HIS 75 19.913 -6.580 3.584 613 HD2 HIS 75 HD2 HIS 75 22.757 -8.545 5.889 614 HE1 HIS 75 HE1 HIS 75 21.511 -7.580 1.966 615 HE2 HIS 75 HE2 HIS 75 23.345 -8.522 3.383 616 H HIS 76 HN HIS 76 19.714 -10.363 6.299 617 HA HIS 76 HA HIS 76 21.770 -10.928 8.214 618 HB2 HIS 76 HB2 HIS 76 19.523 -11.229 9.390 619 HB3 HIS 76 HB1 HIS 76 19.204 -12.532 8.256 620 HD1 HIS 76 HD1 HIS 76 19.662 -14.726 9.304 621 HD2 HIS 76 HD2 HIS 76 22.222 -11.785 10.711 622 HE1 HIS 76 HE1 HIS 76 21.051 -15.827 11.077 623 HE2 HIS 76 HE2 HIS 76 22.660 -14.061 11.843 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 17.699 -10.041 -13.119 2 H2 GLU 1 HT2 GLU 1 18.908 -9.177 -12.308 3 H3 GLU 1 HT3 GLU 1 17.308 -8.903 -11.943 4 HA GLU 1 HA GLU 1 17.088 -11.082 -11.011 5 HB2 GLU 1 HB2 GLU 1 20.031 -11.312 -11.704 6 HB3 GLU 1 HB1 GLU 1 19.123 -12.459 -10.737 7 HG2 GLU 1 HG2 GLU 1 17.741 -13.023 -12.640 8 HG3 GLU 1 HG1 GLU 1 18.557 -11.807 -13.620 9 H ASP 2 HN ASP 2 17.622 -11.423 -8.816 10 HA ASP 2 HA ASP 2 17.695 -10.570 -6.735 11 HB2 ASP 2 HB2 ASP 2 20.077 -11.453 -7.233 12 HB3 ASP 2 HB1 ASP 2 20.533 -9.759 -7.354 13 H MET 3 HN MET 3 16.224 -8.949 -7.391 14 HA MET 3 HA MET 3 17.176 -6.227 -7.007 15 HB2 MET 3 HB2 MET 3 16.259 -5.487 -9.170 16 HB3 MET 3 HB1 MET 3 17.590 -6.619 -9.394 17 HG2 MET 3 HG2 MET 3 15.923 -8.425 -9.746 18 HG3 MET 3 HG1 MET 3 14.649 -7.212 -9.667 19 HE1 MET 3 HE1 MET 3 15.935 -4.739 -11.210 20 HE2 MET 3 HE2 MET 3 14.292 -5.314 -11.485 21 HE3 MET 3 HE3 MET 3 15.373 -5.053 -12.853 22 H GLU 4 HN GLU 4 15.008 -4.863 -7.736 23 HA GLU 4 HA GLU 4 12.778 -6.149 -6.368 24 HB2 GLU 4 HB2 GLU 4 13.337 -3.258 -7.061 25 HB3 GLU 4 HB1 GLU 4 11.857 -3.815 -6.298 26 HG2 GLU 4 HG2 GLU 4 13.117 -4.572 -4.372 27 HG3 GLU 4 HG1 GLU 4 14.620 -4.090 -5.154 28 HA PRO 5 HA PRO 5 11.565 -6.627 -10.731 29 HB2 PRO 5 HB2 PRO 5 9.532 -8.431 -9.600 30 HB3 PRO 5 HB1 PRO 5 10.792 -8.788 -10.782 31 HG2 PRO 5 HG2 PRO 5 10.940 -9.749 -8.291 32 HG3 PRO 5 HG1 PRO 5 12.385 -9.196 -9.169 33 HD2 PRO 5 HD2 PRO 5 10.794 -7.737 -7.082 34 HD3 PRO 5 HD1 PRO 5 12.557 -7.942 -7.227 35 H CYS 6 HN CYS 6 10.509 -4.814 -11.285 36 HA CYS 6 HA CYS 6 8.880 -3.288 -11.648 37 HB2 CYS 6 HB2 CYS 6 7.014 -5.347 -10.421 38 HB3 CYS 6 HB1 CYS 6 6.532 -3.986 -11.422 39 HG CYS 6 HG CYS 6 7.094 -5.043 -13.765 40 H LEU 7 HN LEU 7 6.890 -2.190 -10.321 41 HA LEU 7 HA LEU 7 7.981 -1.441 -7.773 42 HB2 LEU 7 HB2 LEU 7 6.073 0.158 -7.572 43 HB3 LEU 7 HB1 LEU 7 6.998 0.379 -9.023 44 HG LEU 7 HG LEU 7 4.684 0.832 -9.454 45 HD11 LEU 7 HD11 LEU 7 5.883 -0.228 -11.281 46 HD12 LEU 7 HD12 LEU 7 4.145 -0.472 -11.310 47 HD13 LEU 7 HD13 LEU 7 5.184 -1.788 -10.804 48 HD21 LEU 7 HD21 LEU 7 3.597 -0.399 -7.706 49 HD22 LEU 7 HD22 LEU 7 4.022 -1.936 -8.460 50 HD23 LEU 7 HD23 LEU 7 2.890 -0.844 -9.257 51 H THR 8 HN THR 8 5.961 -3.760 -8.892 52 HA THR 8 HA THR 8 4.199 -4.331 -6.848 53 HB THR 8 HB THR 8 5.650 -6.181 -8.721 54 HG1 THR 8 HG1 THR 8 3.218 -4.877 -9.304 55 HG21 THR 8 HG21 THR 8 2.843 -6.240 -7.630 56 HG22 THR 8 HG22 THR 8 4.167 -7.227 -7.005 57 HG23 THR 8 HG23 THR 8 3.573 -7.476 -8.652 58 H GLY 9 HN GLY 9 4.821 -4.824 -4.772 59 HA2 GLY 9 HA2 GLY 9 5.906 -6.700 -3.508 60 HA3 GLY 9 HA1 GLY 9 7.348 -6.326 -4.435 61 H THR 10 HN THR 10 6.548 -3.363 -4.086 62 HA THR 10 HA THR 10 8.093 -2.946 -1.722 63 HB THR 10 HB THR 10 6.379 -0.990 -3.243 64 HG1 THR 10 HG1 THR 10 8.705 -2.266 -3.887 65 HG21 THR 10 HG21 THR 10 7.124 -0.156 -1.065 66 HG22 THR 10 HG22 THR 10 7.928 0.716 -2.369 67 HG23 THR 10 HG23 THR 10 8.799 -0.535 -1.479 68 H LYS 11 HN LYS 11 7.339 -2.711 0.321 69 HA LYS 11 HA LYS 11 4.453 -2.843 0.626 70 HB2 LYS 11 HB2 LYS 11 4.696 -3.722 2.823 71 HB3 LYS 11 HB1 LYS 11 5.834 -4.594 1.831 72 HG2 LYS 11 HG2 LYS 11 6.927 -4.240 3.896 73 HG3 LYS 11 HG1 LYS 11 7.630 -3.036 2.820 74 HD2 LYS 11 HD2 LYS 11 6.232 -1.299 3.777 75 HD3 LYS 11 HD1 LYS 11 5.361 -2.485 4.744 76 HE2 LYS 11 HE2 LYS 11 8.310 -1.938 5.005 77 HE3 LYS 11 HE1 LYS 11 7.084 -1.133 5.975 78 HZ1 LYS 11 HZ1 LYS 11 7.562 -4.068 5.894 79 HZ2 LYS 11 HZ2 LYS 11 6.405 -3.282 6.855 80 HZ3 LYS 11 HZ3 LYS 11 8.042 -3.029 7.119 81 H VAL 12 HN VAL 12 3.324 -1.455 1.813 82 HA VAL 12 HA VAL 12 4.674 0.956 2.760 83 HB VAL 12 HB VAL 12 2.886 2.326 1.729 84 HG11 VAL 12 HG11 VAL 12 3.655 2.234 -0.594 85 HG12 VAL 12 HG12 VAL 12 4.382 0.657 -0.286 86 HG13 VAL 12 HG13 VAL 12 5.005 2.089 0.532 87 HG21 VAL 12 HG21 VAL 12 1.176 0.592 1.598 88 HG22 VAL 12 HG22 VAL 12 2.084 -0.229 0.330 89 HG23 VAL 12 HG23 VAL 12 1.405 1.379 0.038 90 H LYS 13 HN LYS 13 2.832 2.306 3.819 91 HA LYS 13 HA LYS 13 1.097 0.484 5.327 92 HB2 LYS 13 HB2 LYS 13 2.025 3.283 6.021 93 HB3 LYS 13 HB1 LYS 13 0.882 2.343 6.944 94 HG2 LYS 13 HG2 LYS 13 3.400 1.037 6.361 95 HG3 LYS 13 HG1 LYS 13 3.444 2.464 7.479 96 HD2 LYS 13 HD2 LYS 13 1.600 0.095 7.759 97 HD3 LYS 13 HD1 LYS 13 3.204 0.116 8.497 98 HE2 LYS 13 HE2 LYS 13 2.587 2.141 9.725 99 HE3 LYS 13 HE1 LYS 13 0.980 2.087 9.008 100 HZ1 LYS 13 HZ1 LYS 13 1.058 1.143 11.247 101 HZ2 LYS 13 HZ2 LYS 13 2.138 -0.035 10.726 102 HZ3 LYS 13 HZ3 LYS 13 0.582 -0.008 10.118 103 H VAL 14 HN VAL 14 -0.958 0.783 5.179 104 HA VAL 14 HA VAL 14 -1.872 2.841 3.312 105 HB VAL 14 HB VAL 14 -2.917 0.029 3.748 106 HG11 VAL 14 HG11 VAL 14 -4.739 1.614 3.336 107 HG12 VAL 14 HG12 VAL 14 -4.511 0.471 2.016 108 HG13 VAL 14 HG13 VAL 14 -3.931 2.138 1.849 109 HG21 VAL 14 HG21 VAL 14 -0.878 0.143 2.428 110 HG22 VAL 14 HG22 VAL 14 -1.637 1.295 1.319 111 HG23 VAL 14 HG23 VAL 14 -2.250 -0.351 1.447 112 H LYS 15 HN LYS 15 -3.233 4.194 4.129 113 HA LYS 15 HA LYS 15 -4.599 3.628 6.668 114 HB2 LYS 15 HB2 LYS 15 -3.142 5.701 6.425 115 HB3 LYS 15 HB1 LYS 15 -4.210 6.196 5.116 116 HG2 LYS 15 HG2 LYS 15 -6.082 6.271 6.686 117 HG3 LYS 15 HG1 LYS 15 -4.969 5.884 8.001 118 HD2 LYS 15 HD2 LYS 15 -3.698 7.890 7.573 119 HD3 LYS 15 HD1 LYS 15 -4.695 8.239 6.157 120 HE2 LYS 15 HE2 LYS 15 -6.655 8.431 7.627 121 HE3 LYS 15 HE1 LYS 15 -5.611 8.144 9.016 122 HZ1 LYS 15 HZ1 LYS 15 -6.050 10.472 8.711 123 HZ2 LYS 15 HZ2 LYS 15 -5.441 10.435 7.140 124 HZ3 LYS 15 HZ3 LYS 15 -4.403 10.176 8.457 125 H TYR 16 HN TYR 16 -6.536 2.704 6.078 126 HA TYR 16 HA TYR 16 -8.089 4.041 4.017 127 HB2 TYR 16 HB2 TYR 16 -6.771 2.310 2.844 128 HB3 TYR 16 HB1 TYR 16 -7.461 1.084 3.896 129 HD1 TYR 16 HD1 TYR 16 -8.136 3.404 1.111 130 HD2 TYR 16 HD2 TYR 16 -9.688 0.270 3.527 131 HE1 TYR 16 HE1 TYR 16 -9.978 3.073 -0.506 132 HE2 TYR 16 HE2 TYR 16 -11.525 -0.044 1.944 133 HH TYR 16 HH TYR 16 -11.551 1.432 -1.150 134 H GLY 17 HN GLY 17 -9.952 4.391 4.846 135 HA2 GLY 17 HA2 GLY 17 -11.686 2.464 5.735 136 HA3 GLY 17 HA1 GLY 17 -11.021 3.249 7.160 137 H ARG 18 HN ARG 18 -13.705 3.397 6.230 138 HA ARG 18 HA ARG 18 -13.879 6.103 5.197 139 HB2 ARG 18 HB2 ARG 18 -16.368 5.642 5.096 140 HB3 ARG 18 HB1 ARG 18 -15.351 4.677 4.041 141 HG2 ARG 18 HG2 ARG 18 -15.504 2.811 5.624 142 HG3 ARG 18 HG1 ARG 18 -16.537 3.783 6.666 143 HD2 ARG 18 HD2 ARG 18 -18.237 3.893 4.983 144 HD3 ARG 18 HD1 ARG 18 -17.174 3.135 3.796 145 HE ARG 18 HE ARG 18 -17.404 1.409 5.953 146 HH11 ARG 18 HH11 ARG 18 -19.564 2.762 3.495 147 HH12 ARG 18 HH12 ARG 18 -20.507 1.352 3.350 148 HH21 ARG 18 HH21 ARG 18 -18.688 -0.518 5.739 149 HH22 ARG 18 HH22 ARG 18 -19.989 -0.563 4.641 150 H GLY 19 HN GLY 19 -13.911 7.740 6.448 151 HA2 GLY 19 HA2 GLY 19 -14.494 9.175 8.099 152 HA3 GLY 19 HA1 GLY 19 -15.773 8.059 8.552 153 H LYS 20 HN LYS 20 -15.582 7.000 10.377 154 HA LYS 20 HA LYS 20 -13.173 7.403 11.956 155 HB2 LYS 20 HB2 LYS 20 -15.450 7.969 12.852 156 HB3 LYS 20 HB1 LYS 20 -15.858 6.267 12.756 157 HG2 LYS 20 HG2 LYS 20 -15.317 6.875 15.032 158 HG3 LYS 20 HG1 LYS 20 -14.086 5.775 14.401 159 HD2 LYS 20 HD2 LYS 20 -12.591 7.640 14.019 160 HD3 LYS 20 HD1 LYS 20 -13.835 8.780 14.533 161 HE2 LYS 20 HE2 LYS 20 -13.842 7.726 16.751 162 HE3 LYS 20 HE1 LYS 20 -12.557 6.641 16.227 163 HZ1 LYS 20 HZ1 LYS 20 -12.370 9.598 16.374 164 HZ2 LYS 20 HZ2 LYS 20 -11.136 8.580 15.890 165 HZ3 LYS 20 HZ3 LYS 20 -11.702 8.522 17.483 166 H THR 21 HN THR 21 -14.414 5.180 9.870 167 HA THR 21 HA THR 21 -13.548 2.738 11.200 168 HB THR 21 HB THR 21 -14.472 3.138 8.322 169 HG1 THR 21 HG1 THR 21 -15.848 3.837 10.340 170 HG21 THR 21 HG21 THR 21 -15.269 0.837 8.508 171 HG22 THR 21 HG22 THR 21 -14.740 0.769 10.191 172 HG23 THR 21 HG23 THR 21 -13.548 0.896 8.895 173 H GLN 22 HN GLN 22 -11.748 4.997 10.522 174 HA GLN 22 HA GLN 22 -10.079 4.470 8.282 175 HB2 GLN 22 HB2 GLN 22 -10.488 6.659 9.455 176 HB3 GLN 22 HB1 GLN 22 -9.501 6.053 10.771 177 HG2 GLN 22 HG2 GLN 22 -8.166 7.476 9.417 178 HG3 GLN 22 HG1 GLN 22 -7.632 5.811 9.180 179 HE21 GLN 22 HE21 GLN 22 -9.380 8.454 7.783 180 HE22 GLN 22 HE22 GLN 22 -9.301 7.944 6.149 181 H LYS 23 HN LYS 23 -8.919 2.601 8.258 182 HA LYS 23 HA LYS 23 -7.553 1.775 10.727 183 HB2 LYS 23 HB2 LYS 23 -8.409 0.134 8.346 184 HB3 LYS 23 HB1 LYS 23 -7.485 -0.488 9.690 185 HG2 LYS 23 HG2 LYS 23 -10.292 0.600 9.828 186 HG3 LYS 23 HG1 LYS 23 -9.835 -1.105 9.779 187 HD2 LYS 23 HD2 LYS 23 -9.025 0.836 11.959 188 HD3 LYS 23 HD1 LYS 23 -10.367 -0.295 12.073 189 HE2 LYS 23 HE2 LYS 23 -8.847 -2.184 11.869 190 HE3 LYS 23 HE1 LYS 23 -7.483 -1.101 11.628 191 HZ1 LYS 23 HZ1 LYS 23 -9.122 -1.231 14.105 192 HZ2 LYS 23 HZ2 LYS 23 -7.753 -0.273 13.850 193 HZ3 LYS 23 HZ3 LYS 23 -7.608 -1.934 13.897 194 H ILE 24 HN ILE 24 -5.358 1.202 10.563 195 HA ILE 24 HA ILE 24 -4.129 1.896 8.005 196 HB ILE 24 HB ILE 24 -2.835 2.123 10.770 197 HG12 ILE 24 HG12 ILE 24 -2.592 4.596 10.134 198 HG13 ILE 24 HG11 ILE 24 -3.708 4.280 8.822 199 HG21 ILE 24 HG21 ILE 24 -0.880 3.073 9.618 200 HG22 ILE 24 HG22 ILE 24 -1.654 2.770 8.069 201 HG23 ILE 24 HG23 ILE 24 -1.202 1.420 9.103 202 HD11 ILE 24 HD11 ILE 24 -4.834 5.331 10.708 203 HD12 ILE 24 HD12 ILE 24 -4.305 4.028 11.771 204 HD13 ILE 24 HD13 ILE 24 -5.442 3.690 10.474 205 H TYR 25 HN TYR 25 -2.945 0.428 7.046 206 HA TYR 25 HA TYR 25 -2.486 -2.200 8.341 207 HB2 TYR 25 HB2 TYR 25 -3.331 -1.703 5.480 208 HB3 TYR 25 HB1 TYR 25 -3.057 -3.258 6.231 209 HD1 TYR 25 HD1 TYR 25 -5.353 -0.419 5.904 210 HD2 TYR 25 HD2 TYR 25 -4.763 -4.265 7.615 211 HE1 TYR 25 HE1 TYR 25 -7.768 -0.583 6.369 212 HE2 TYR 25 HE2 TYR 25 -7.162 -4.427 8.087 213 HH TYR 25 HH TYR 25 -9.086 -3.029 8.362 214 H GLU 26 HN GLU 26 -0.767 -3.420 7.188 215 HA GLU 26 HA GLU 26 1.056 -1.742 5.622 216 HB2 GLU 26 HB2 GLU 26 1.480 -4.332 7.128 217 HB3 GLU 26 HB1 GLU 26 2.629 -3.740 5.944 218 HG2 GLU 26 HG2 GLU 26 2.851 -1.686 7.285 219 HG3 GLU 26 HG1 GLU 26 1.838 -2.433 8.520 220 H ALA 27 HN ALA 27 1.114 -2.220 3.481 221 HA ALA 27 HA ALA 27 0.124 -4.806 2.560 222 HB1 ALA 27 HB1 ALA 27 -0.941 -2.160 1.580 223 HB2 ALA 27 HB2 ALA 27 -1.827 -3.318 2.571 224 HB3 ALA 27 HB3 ALA 27 -1.352 -3.745 0.923 225 H SER 28 HN SER 28 0.806 -5.263 0.387 226 HA SER 28 HA SER 28 3.044 -3.592 -0.388 227 HB2 SER 28 HB2 SER 28 3.693 -5.682 -1.739 228 HB3 SER 28 HB1 SER 28 3.880 -5.759 0.010 229 HG SER 28 HG SER 28 2.733 -7.459 -0.154 230 H ILE 29 HN ILE 29 3.243 -2.853 -2.426 231 HA ILE 29 HA ILE 29 0.770 -2.343 -3.751 232 HB ILE 29 HB ILE 29 3.554 -1.794 -4.819 233 HG12 ILE 29 HG12 ILE 29 3.400 -0.802 -2.587 234 HG13 ILE 29 HG11 ILE 29 3.363 0.456 -3.810 235 HG21 ILE 29 HG21 ILE 29 0.881 -0.507 -5.355 236 HG22 ILE 29 HG22 ILE 29 1.789 -1.541 -6.463 237 HG23 ILE 29 HG23 ILE 29 2.418 0.048 -6.010 238 HD11 ILE 29 HD11 ILE 29 1.790 0.972 -2.098 239 HD12 ILE 29 HD12 ILE 29 1.043 -0.617 -2.231 240 HD13 ILE 29 HD13 ILE 29 0.893 0.543 -3.558 241 H LYS 30 HN LYS 30 -0.108 -3.449 -5.361 242 HA LYS 30 HA LYS 30 1.424 -5.644 -6.500 243 HB2 LYS 30 HB2 LYS 30 -0.877 -6.052 -5.456 244 HB3 LYS 30 HB1 LYS 30 -1.560 -5.106 -6.759 245 HG2 LYS 30 HG2 LYS 30 -0.017 -7.683 -7.174 246 HG3 LYS 30 HG1 LYS 30 -1.769 -7.593 -7.039 247 HD2 LYS 30 HD2 LYS 30 -1.863 -6.190 -9.030 248 HD3 LYS 30 HD1 LYS 30 -0.106 -6.186 -9.121 249 HE2 LYS 30 HE2 LYS 30 -0.148 -8.617 -9.481 250 HE3 LYS 30 HE1 LYS 30 -1.911 -8.586 -9.431 251 HZ1 LYS 30 HZ1 LYS 30 -1.098 -8.550 -11.714 252 HZ2 LYS 30 HZ2 LYS 30 -0.202 -7.167 -11.397 253 HZ3 LYS 30 HZ3 LYS 30 -1.886 -7.100 -11.359 254 H SER 31 HN SER 31 -0.781 -3.005 -7.493 255 HA SER 31 HA SER 31 0.870 -2.364 -9.743 256 HB2 SER 31 HB2 SER 31 -1.961 -3.387 -10.156 257 HB3 SER 31 HB1 SER 31 -1.001 -2.590 -11.397 258 HG SER 31 HG SER 31 0.487 -4.514 -10.398 259 H THR 32 HN THR 32 -0.510 -0.527 -11.032 260 HA THR 32 HA THR 32 -2.279 0.932 -9.338 261 HB THR 32 HB THR 32 -0.170 1.687 -8.357 262 HG1 THR 32 HG1 THR 32 -1.870 3.210 -8.814 263 HG21 THR 32 HG21 THR 32 1.338 1.153 -10.208 264 HG22 THR 32 HG22 THR 32 1.526 2.839 -9.695 265 HG23 THR 32 HG23 THR 32 0.598 2.447 -11.152 266 H GLU 33 HN GLU 33 -2.928 2.871 -10.391 267 HA GLU 33 HA GLU 33 -2.409 3.182 -13.206 268 HB2 GLU 33 HB2 GLU 33 -4.717 3.180 -13.855 269 HB3 GLU 33 HB1 GLU 33 -4.259 1.622 -13.123 270 HG2 GLU 33 HG2 GLU 33 -5.387 2.250 -11.079 271 HG3 GLU 33 HG1 GLU 33 -5.806 3.810 -11.776 272 H ILE 34 HN ILE 34 -3.281 5.230 -13.954 273 HA ILE 34 HA ILE 34 -3.624 7.081 -11.720 274 HB ILE 34 HB ILE 34 -2.200 7.587 -14.327 275 HG12 ILE 34 HG12 ILE 34 -0.215 8.170 -12.821 276 HG13 ILE 34 HG11 ILE 34 -1.176 7.529 -11.501 277 HG21 ILE 34 HG21 ILE 34 -1.726 9.866 -13.490 278 HG22 ILE 34 HG22 ILE 34 -2.727 9.525 -12.078 279 HG23 ILE 34 HG23 ILE 34 -3.454 9.563 -13.683 280 HD11 ILE 34 HD11 ILE 34 -1.171 5.358 -12.510 281 HD12 ILE 34 HD12 ILE 34 0.482 5.923 -12.230 282 HD13 ILE 34 HD13 ILE 34 -0.205 5.940 -13.868 283 H ASP 35 HN ASP 35 -5.521 7.810 -11.761 284 HA ASP 35 HA ASP 35 -6.946 8.103 -14.325 285 HB2 ASP 35 HB2 ASP 35 -7.737 6.116 -13.018 286 HB3 ASP 35 HB1 ASP 35 -8.219 7.217 -11.735 287 H ASP 36 HN ASP 36 -7.487 10.093 -14.672 288 HA ASP 36 HA ASP 36 -8.282 12.185 -14.487 289 HB2 ASP 36 HB2 ASP 36 -10.084 11.113 -13.054 290 HB3 ASP 36 HB1 ASP 36 -9.112 11.499 -11.644 291 H GLY 37 HN GLY 37 -5.619 11.305 -13.638 292 HA2 GLY 37 HA2 GLY 37 -3.758 12.700 -13.315 293 HA3 GLY 37 HA1 GLY 37 -4.800 13.875 -12.536 294 H GLU 38 HN GLU 38 -5.682 11.125 -11.036 295 HA GLU 38 HA GLU 38 -3.515 11.416 -9.117 296 HB2 GLU 38 HB2 GLU 38 -5.131 10.739 -7.345 297 HB3 GLU 38 HB1 GLU 38 -5.484 12.300 -8.093 298 HG2 GLU 38 HG2 GLU 38 -7.175 11.047 -9.483 299 HG3 GLU 38 HG1 GLU 38 -6.895 9.675 -8.411 300 H VAL 39 HN VAL 39 -2.908 9.562 -7.900 301 HA VAL 39 HA VAL 39 -2.907 7.294 -9.733 302 HB VAL 39 HB VAL 39 -1.090 7.622 -7.367 303 HG11 VAL 39 HG11 VAL 39 -0.843 6.125 -9.956 304 HG12 VAL 39 HG12 VAL 39 -1.024 5.447 -8.348 305 HG13 VAL 39 HG13 VAL 39 0.451 6.296 -8.784 306 HG21 VAL 39 HG21 VAL 39 0.595 8.639 -8.911 307 HG22 VAL 39 HG22 VAL 39 -0.771 9.672 -8.525 308 HG23 VAL 39 HG23 VAL 39 -0.698 8.889 -10.090 309 H LEU 40 HN LEU 40 -3.927 5.590 -9.290 310 HA LEU 40 HA LEU 40 -4.956 5.092 -6.596 311 HB2 LEU 40 HB2 LEU 40 -5.868 3.977 -9.237 312 HB3 LEU 40 HB1 LEU 40 -6.644 3.766 -7.681 313 HG LEU 40 HG LEU 40 -6.462 6.307 -9.279 314 HD11 LEU 40 HD11 LEU 40 -8.780 4.568 -8.517 315 HD12 LEU 40 HD12 LEU 40 -8.078 4.753 -10.128 316 HD13 LEU 40 HD13 LEU 40 -8.895 6.117 -9.358 317 HD21 LEU 40 HD21 LEU 40 -7.861 7.288 -7.474 318 HD22 LEU 40 HD22 LEU 40 -6.228 6.851 -6.990 319 HD23 LEU 40 HD23 LEU 40 -7.570 5.811 -6.524 320 H TYR 41 HN TYR 41 -4.203 3.419 -5.656 321 HA TYR 41 HA TYR 41 -2.386 1.655 -7.154 322 HB2 TYR 41 HB2 TYR 41 -2.302 2.500 -4.273 323 HB3 TYR 41 HB1 TYR 41 -1.352 1.169 -4.910 324 HD1 TYR 41 HD2 TYR 41 -1.802 4.790 -4.883 325 HD2 TYR 41 HD1 TYR 41 0.526 1.570 -6.336 326 HE1 TYR 41 HE2 TYR 41 -0.014 6.375 -5.517 327 HE2 TYR 41 HE1 TYR 41 2.319 3.116 -6.977 328 HH TYR 41 HH TYR 41 2.554 5.523 -7.541 329 H LEU 42 HN LEU 42 -2.418 -0.470 -6.826 330 HA LEU 42 HA LEU 42 -4.754 -1.577 -5.463 331 HB2 LEU 42 HB2 LEU 42 -4.627 -2.103 -7.846 332 HB3 LEU 42 HB1 LEU 42 -2.966 -2.627 -7.669 333 HG LEU 42 HG LEU 42 -3.722 -4.531 -6.303 334 HD11 LEU 42 HD11 LEU 42 -5.724 -3.608 -5.340 335 HD12 LEU 42 HD12 LEU 42 -6.124 -5.075 -6.240 336 HD13 LEU 42 HD13 LEU 42 -6.473 -3.493 -6.932 337 HD21 LEU 42 HD21 LEU 42 -3.435 -4.762 -8.716 338 HD22 LEU 42 HD22 LEU 42 -5.121 -4.307 -8.962 339 HD23 LEU 42 HD23 LEU 42 -4.724 -5.798 -8.108 340 H VAL 43 HN VAL 43 -4.191 -2.232 -3.547 341 HA VAL 43 HA VAL 43 -1.431 -3.151 -3.103 342 HB VAL 43 HB VAL 43 -1.486 -2.163 -0.903 343 HG11 VAL 43 HG11 VAL 43 -2.564 -0.166 -2.851 344 HG12 VAL 43 HG12 VAL 43 -0.894 -0.681 -2.713 345 HG13 VAL 43 HG13 VAL 43 -1.659 0.193 -1.380 346 HG21 VAL 43 HG21 VAL 43 -3.442 -0.877 -0.061 347 HG22 VAL 43 HG22 VAL 43 -3.819 -2.581 -0.288 348 HG23 VAL 43 HG23 VAL 43 -4.363 -1.396 -1.471 349 H HIS 44 HN HIS 44 -1.219 -4.891 -1.724 350 HA HIS 44 HA HIS 44 -3.720 -6.105 -0.886 351 HB2 HIS 44 HB2 HIS 44 -2.981 -8.391 -1.461 352 HB3 HIS 44 HB1 HIS 44 -3.060 -7.374 -2.881 353 HD1 HIS 44 HD1 HIS 44 -1.237 -10.022 -1.878 354 HD2 HIS 44 HD2 HIS 44 -0.092 -6.235 -3.095 355 HE1 HIS 44 HE1 HIS 44 1.133 -10.260 -2.667 356 HE2 HIS 44 HE2 HIS 44 1.863 -7.885 -3.027 357 H TYR 45 HN TYR 45 -3.826 -6.886 1.021 358 HA TYR 45 HA TYR 45 -1.938 -5.799 2.865 359 HB2 TYR 45 HB2 TYR 45 -4.260 -7.638 3.460 360 HB3 TYR 45 HB1 TYR 45 -3.467 -6.529 4.568 361 HD1 TYR 45 HD2 TYR 45 -3.669 -4.000 4.045 362 HD2 TYR 45 HD1 TYR 45 -6.129 -6.959 2.243 363 HE1 TYR 45 HE2 TYR 45 -5.329 -2.270 3.470 364 HE2 TYR 45 HE1 TYR 45 -7.789 -5.243 1.656 365 HH TYR 45 HH TYR 45 -7.140 -1.939 1.814 366 H TYR 46 HN TYR 46 -0.309 -6.819 3.977 367 HA TYR 46 HA TYR 46 -0.219 -9.720 3.664 368 HB2 TYR 46 HB2 TYR 46 2.173 -9.725 3.483 369 HB3 TYR 46 HB1 TYR 46 1.612 -8.487 2.373 370 HD1 TYR 46 HD1 TYR 46 1.834 -6.050 3.135 371 HD2 TYR 46 HD2 TYR 46 3.713 -9.294 5.132 372 HE1 TYR 46 HE1 TYR 46 3.405 -4.489 4.192 373 HE2 TYR 46 HE2 TYR 46 5.281 -7.748 6.198 374 HH TYR 46 HH TYR 46 4.841 -4.469 6.337 375 H GLY 47 HN GLY 47 0.160 -10.913 5.429 376 HA2 GLY 47 HA2 GLY 47 0.800 -11.057 7.792 377 HA3 GLY 47 HA1 GLY 47 0.109 -9.440 7.987 378 H TRP 48 HN TRP 48 -1.960 -9.883 6.176 379 HA TRP 48 HA TRP 48 -3.838 -11.515 7.735 380 HB2 TRP 48 HB2 TRP 48 -4.270 -9.355 5.625 381 HB3 TRP 48 HB1 TRP 48 -5.555 -10.215 6.452 382 HD1 TRP 48 HD1 TRP 48 -6.127 -9.471 8.936 383 HE1 TRP 48 HE1 TRP 48 -5.530 -7.382 10.307 384 HE3 TRP 48 HE3 TRP 48 -2.368 -7.622 6.011 385 HZ2 TRP 48 HZ2 TRP 48 -3.711 -5.234 10.169 386 HZ3 TRP 48 HZ3 TRP 48 -1.258 -5.539 6.701 387 HH2 TRP 48 HH2 TRP 48 -1.916 -4.372 8.737 388 H ASN 49 HN ASN 49 -5.629 -11.833 5.438 389 HA ASN 49 HA ASN 49 -4.158 -13.806 4.019 390 HB2 ASN 49 HB2 ASN 49 -6.972 -12.780 3.762 391 HB3 ASN 49 HB1 ASN 49 -6.291 -13.825 2.527 392 HD21 ASN 49 HD21 ASN 49 -4.746 -15.420 4.435 393 HD22 ASN 49 HD22 ASN 49 -5.924 -16.374 5.252 394 H VAL 50 HN VAL 50 -2.869 -13.462 2.489 395 HA VAL 50 HA VAL 50 -2.341 -10.860 1.558 396 HB VAL 50 HB VAL 50 -0.680 -12.681 1.960 397 HG11 VAL 50 HG11 VAL 50 -0.151 -14.258 0.169 398 HG12 VAL 50 HG12 VAL 50 -1.635 -13.771 -0.658 399 HG13 VAL 50 HG13 VAL 50 -1.718 -14.542 0.924 400 HG21 VAL 50 HG21 VAL 50 -0.009 -10.674 0.851 401 HG22 VAL 50 HG22 VAL 50 -0.556 -11.300 -0.707 402 HG23 VAL 50 HG23 VAL 50 0.819 -12.050 0.116 403 H ARG 51 HN ARG 51 -4.509 -13.177 0.482 404 HA ARG 51 HA ARG 51 -4.550 -12.529 -2.302 405 HB2 ARG 51 HB2 ARG 51 -6.565 -13.881 -2.423 406 HB3 ARG 51 HB1 ARG 51 -5.367 -14.701 -1.438 407 HG2 ARG 51 HG2 ARG 51 -6.533 -13.915 0.590 408 HG3 ARG 51 HG1 ARG 51 -7.756 -13.166 -0.427 409 HD2 ARG 51 HD2 ARG 51 -7.106 -16.113 -0.308 410 HD3 ARG 51 HD1 ARG 51 -8.509 -15.332 0.417 411 HE ARG 51 HE ARG 51 -8.326 -14.839 -2.379 412 HH11 ARG 51 HH11 ARG 51 -9.507 -17.177 0.014 413 HH12 ARG 51 HH12 ARG 51 -10.489 -18.023 -1.080 414 HH21 ARG 51 HH21 ARG 51 -9.715 -15.955 -3.874 415 HH22 ARG 51 HH22 ARG 51 -10.633 -17.289 -3.358 416 H TYR 52 HN TYR 52 -5.524 -10.774 0.391 417 HA TYR 52 HA TYR 52 -7.788 -9.583 -0.934 418 HB2 TYR 52 HB2 TYR 52 -6.618 -9.180 1.796 419 HB3 TYR 52 HB1 TYR 52 -7.818 -8.068 1.138 420 HD1 TYR 52 HD1 TYR 52 -7.209 -11.475 2.279 421 HD2 TYR 52 HD2 TYR 52 -10.092 -8.729 0.857 422 HE1 TYR 52 HE1 TYR 52 -8.998 -13.023 2.952 423 HE2 TYR 52 HE2 TYR 52 -11.888 -10.247 1.522 424 HH TYR 52 HH TYR 52 -12.183 -12.628 1.900 425 H ASP 53 HN ASP 53 -7.208 -8.512 -2.608 426 HA ASP 53 HA ASP 53 -5.342 -6.299 -2.269 427 HB2 ASP 53 HB2 ASP 53 -5.207 -6.221 -4.720 428 HB3 ASP 53 HB1 ASP 53 -4.786 -7.818 -4.131 429 H GLU 54 HN GLU 54 -6.001 -4.259 -2.678 430 HA GLU 54 HA GLU 54 -8.692 -3.677 -3.582 431 HB2 GLU 54 HB2 GLU 54 -8.934 -4.230 -1.122 432 HB3 GLU 54 HB1 GLU 54 -7.794 -2.946 -0.766 433 HG2 GLU 54 HG2 GLU 54 -10.138 -2.304 -0.385 434 HG3 GLU 54 HG1 GLU 54 -9.333 -1.286 -1.577 435 H TRP 55 HN TRP 55 -8.990 -1.403 -3.798 436 HA TRP 55 HA TRP 55 -6.463 -0.193 -4.624 437 HB2 TRP 55 HB2 TRP 55 -9.296 0.404 -5.399 438 HB3 TRP 55 HB1 TRP 55 -7.916 1.334 -5.958 439 HD1 TRP 55 HD1 TRP 55 -9.372 -2.227 -6.215 440 HE1 TRP 55 HE1 TRP 55 -8.476 -3.317 -8.380 441 HE3 TRP 55 HE3 TRP 55 -6.070 1.396 -7.641 442 HZ2 TRP 55 HZ2 TRP 55 -6.598 -2.724 -10.393 443 HZ3 TRP 55 HZ3 TRP 55 -4.733 1.044 -9.677 444 HH2 TRP 55 HH2 TRP 55 -4.998 -0.967 -11.027 445 H VAL 56 HN VAL 56 -5.732 1.581 -3.858 446 HA VAL 56 HA VAL 56 -7.369 3.222 -2.093 447 HB VAL 56 HB VAL 56 -5.519 3.495 -0.511 448 HG11 VAL 56 HG11 VAL 56 -5.451 1.269 0.495 449 HG12 VAL 56 HG12 VAL 56 -6.097 0.582 -0.991 450 HG13 VAL 56 HG13 VAL 56 -7.077 1.697 -0.039 451 HG21 VAL 56 HG21 VAL 56 -3.651 3.188 -2.061 452 HG22 VAL 56 HG22 VAL 56 -4.008 1.467 -2.174 453 HG23 VAL 56 HG23 VAL 56 -3.459 2.160 -0.647 454 H LYS 57 HN LYS 57 -6.249 5.386 -1.843 455 HA LYS 57 HA LYS 57 -5.126 6.040 -4.456 456 HB2 LYS 57 HB2 LYS 57 -7.280 7.067 -3.452 457 HB3 LYS 57 HB1 LYS 57 -6.187 7.984 -2.431 458 HG2 LYS 57 HG2 LYS 57 -5.417 9.259 -4.171 459 HG3 LYS 57 HG1 LYS 57 -5.793 8.038 -5.389 460 HD2 LYS 57 HD2 LYS 57 -7.418 9.722 -5.673 461 HD3 LYS 57 HD1 LYS 57 -8.229 8.415 -4.818 462 HE2 LYS 57 HE2 LYS 57 -8.921 10.412 -3.773 463 HE3 LYS 57 HE1 LYS 57 -7.727 9.701 -2.686 464 HZ1 LYS 57 HZ1 LYS 57 -7.136 11.732 -4.714 465 HZ2 LYS 57 HZ2 LYS 57 -6.075 11.264 -3.456 466 HZ3 LYS 57 HZ3 LYS 57 -7.481 12.143 -3.131 467 H ALA 58 HN ALA 58 -3.339 7.629 -4.472 468 HA ALA 58 HA ALA 58 -1.143 6.801 -3.008 469 HB1 ALA 58 HB1 ALA 58 0.030 8.697 -3.927 470 HB2 ALA 58 HB2 ALA 58 -1.493 9.522 -4.246 471 HB3 ALA 58 HB3 ALA 58 -1.083 8.067 -5.146 472 H ASP 59 HN ASP 59 -3.394 9.278 -2.305 473 HA ASP 59 HA ASP 59 -2.131 10.756 -0.273 474 HB2 ASP 59 HB2 ASP 59 -5.056 10.117 -0.593 475 HB3 ASP 59 HB1 ASP 59 -4.394 11.393 0.413 476 H ARG 60 HN ARG 60 -3.567 7.618 -0.226 477 HA ARG 60 HA ARG 60 -4.075 7.609 2.664 478 HB2 ARG 60 HB2 ARG 60 -4.583 5.468 0.598 479 HB3 ARG 60 HB1 ARG 60 -5.209 5.519 2.236 480 HG2 ARG 60 HG2 ARG 60 -5.895 7.489 0.067 481 HG3 ARG 60 HG1 ARG 60 -6.876 6.098 0.521 482 HD2 ARG 60 HD2 ARG 60 -6.064 8.213 2.472 483 HD3 ARG 60 HD1 ARG 60 -7.559 8.350 1.518 484 HE ARG 60 HE ARG 60 -6.887 6.512 3.674 485 HH11 ARG 60 HH11 ARG 60 -9.260 7.137 1.150 486 HH12 ARG 60 HH12 ARG 60 -10.610 6.741 2.115 487 HH21 ARG 60 HH21 ARG 60 -8.780 6.044 5.053 488 HH22 ARG 60 HH22 ARG 60 -10.340 6.171 4.372 489 H ILE 61 HN ILE 61 -1.458 7.132 0.763 490 HA ILE 61 HA ILE 61 -0.655 4.684 2.131 491 HB ILE 61 HB ILE 61 0.276 5.858 -0.496 492 HG12 ILE 61 HG12 ILE 61 -1.369 3.420 0.177 493 HG13 ILE 61 HG11 ILE 61 -1.919 4.868 -0.656 494 HG21 ILE 61 HG21 ILE 61 1.575 3.817 -0.757 495 HG22 ILE 61 HG22 ILE 61 1.071 3.315 0.858 496 HG23 ILE 61 HG23 ILE 61 2.108 4.740 0.663 497 HD11 ILE 61 HD11 ILE 61 -0.476 4.339 -2.543 498 HD12 ILE 61 HD12 ILE 61 -1.571 2.994 -2.164 499 HD13 ILE 61 HD13 ILE 61 0.114 2.915 -1.676 500 H ILE 62 HN ILE 62 1.151 4.639 3.300 501 HA ILE 62 HA ILE 62 2.822 7.061 3.429 502 HB ILE 62 HB ILE 62 2.842 4.751 5.391 503 HG12 ILE 62 HG12 ILE 62 1.870 6.445 7.058 504 HG13 ILE 62 HG11 ILE 62 1.331 7.356 5.635 505 HG21 ILE 62 HG21 ILE 62 4.928 5.903 5.355 506 HG22 ILE 62 HG22 ILE 62 4.115 6.267 6.873 507 HG23 ILE 62 HG23 ILE 62 4.128 7.451 5.577 508 HD11 ILE 62 HD11 ILE 62 0.578 4.571 6.450 509 HD12 ILE 62 HD12 ILE 62 0.018 5.362 4.974 510 HD13 ILE 62 HD13 ILE 62 -0.455 5.999 6.558 511 H TRP 63 HN TRP 63 4.441 6.785 2.057 512 HA TRP 63 HA TRP 63 5.463 4.175 1.365 513 HB2 TRP 63 HB2 TRP 63 6.311 6.959 0.518 514 HB3 TRP 63 HB1 TRP 63 7.009 5.473 -0.114 515 HD1 TRP 63 HD1 TRP 63 3.866 7.624 -0.308 516 HE1 TRP 63 HE1 TRP 63 2.453 6.835 -2.307 517 HE3 TRP 63 HE3 TRP 63 6.509 3.441 -1.554 518 HZ2 TRP 63 HZ2 TRP 63 2.462 4.704 -4.161 519 HZ3 TRP 63 HZ3 TRP 63 5.746 2.076 -3.450 520 HH2 TRP 63 HH2 TRP 63 3.766 2.691 -4.725 521 HA PRO 64 HA PRO 64 8.490 4.427 4.683 522 HB2 PRO 64 HB2 PRO 64 9.822 2.230 3.201 523 HB3 PRO 64 HB1 PRO 64 9.255 2.259 4.874 524 HG2 PRO 64 HG2 PRO 64 7.963 0.842 3.007 525 HG3 PRO 64 HG1 PRO 64 7.090 1.694 4.292 526 HD2 PRO 64 HD2 PRO 64 7.470 2.481 1.425 527 HD3 PRO 64 HD1 PRO 64 6.029 2.605 2.461 528 H LEU 65 HN LEU 65 9.941 5.905 4.604 529 HA LEU 65 HA LEU 65 12.149 6.091 2.867 530 HB2 LEU 65 HB2 LEU 65 9.690 7.556 2.127 531 HB3 LEU 65 HB1 LEU 65 11.176 8.475 2.097 532 HG LEU 65 HG LEU 65 10.727 5.931 0.536 533 HD11 LEU 65 HD11 LEU 65 9.227 7.720 -0.197 534 HD12 LEU 65 HD12 LEU 65 10.508 7.459 -1.388 535 HD13 LEU 65 HD13 LEU 65 10.593 8.829 -0.279 536 HD21 LEU 65 HD21 LEU 65 12.855 8.063 0.436 537 HD22 LEU 65 HD22 LEU 65 12.753 6.668 -0.643 538 HD23 LEU 65 HD23 LEU 65 13.072 6.445 1.078 539 H ASP 66 HN ASP 66 13.387 6.625 4.540 540 HA ASP 66 HA ASP 66 14.550 8.059 5.829 541 HB2 ASP 66 HB2 ASP 66 13.937 9.796 4.211 542 HB3 ASP 66 HB1 ASP 66 12.460 10.061 5.121 543 H LYS 67 HN LYS 67 11.151 8.777 6.468 544 HA LYS 67 HA LYS 67 11.670 9.312 9.204 545 HB2 LYS 67 HB2 LYS 67 9.297 9.531 9.647 546 HB3 LYS 67 HB1 LYS 67 9.623 10.234 8.079 547 HG2 LYS 67 HG2 LYS 67 8.379 7.580 8.640 548 HG3 LYS 67 HG1 LYS 67 7.525 9.044 8.135 549 HD2 LYS 67 HD2 LYS 67 9.074 8.976 6.120 550 HD3 LYS 67 HD1 LYS 67 9.434 7.330 6.608 551 HE2 LYS 67 HE2 LYS 67 7.696 7.175 5.001 552 HE3 LYS 67 HE1 LYS 67 6.945 6.900 6.568 553 HZ1 LYS 67 HZ1 LYS 67 6.958 9.479 5.107 554 HZ2 LYS 67 HZ2 LYS 67 6.154 9.219 6.557 555 HZ3 LYS 67 HZ3 LYS 67 5.663 8.437 5.164 556 H GLY 68 HN GLY 68 11.407 8.230 11.048 557 HA2 GLY 68 HA2 GLY 68 12.219 5.520 10.837 558 HA3 GLY 68 HA1 GLY 68 11.966 6.417 12.318 559 H LEU 69 HN LEU 69 10.380 4.527 9.836 560 HA LEU 69 HA LEU 69 8.038 4.061 11.456 561 HB2 LEU 69 HB2 LEU 69 9.096 2.454 9.105 562 HB3 LEU 69 HB1 LEU 69 7.525 2.251 9.850 563 HG LEU 69 HG LEU 69 8.441 4.699 8.331 564 HD11 LEU 69 HD11 LEU 69 8.072 2.789 6.876 565 HD12 LEU 69 HD12 LEU 69 6.809 3.999 6.657 566 HD13 LEU 69 HD13 LEU 69 6.478 2.538 7.585 567 HD21 LEU 69 HD21 LEU 69 6.101 5.422 8.515 568 HD22 LEU 69 HD22 LEU 69 6.861 5.286 10.096 569 HD23 LEU 69 HD23 LEU 69 5.752 4.029 9.540 570 H GLU 70 HN GLU 70 8.432 3.251 13.320 571 HA GLU 70 HA GLU 70 9.111 2.065 15.026 572 HB2 GLU 70 HB2 GLU 70 10.009 -0.003 13.017 573 HB3 GLU 70 HB1 GLU 70 10.418 -0.156 14.712 574 HG2 GLU 70 HG2 GLU 70 7.877 0.037 15.114 575 HG3 GLU 70 HG1 GLU 70 7.737 -0.330 13.396 576 H HIS 71 HN HIS 71 10.577 2.513 16.335 577 HA HIS 71 HA HIS 71 13.306 3.084 15.365 578 HB2 HIS 71 HB2 HIS 71 11.854 4.135 17.825 579 HB3 HIS 71 HB1 HIS 71 13.514 4.514 17.403 580 HD1 HIS 71 HD1 HIS 71 10.084 5.695 16.948 581 HD2 HIS 71 HD2 HIS 71 13.702 6.098 14.934 582 HE1 HIS 71 HE1 HIS 71 9.787 7.651 15.435 583 HE2 HIS 71 HE2 HIS 71 11.997 7.945 14.282 584 H HIS 72 HN HIS 72 12.433 0.631 15.684 585 HA HIS 72 HA HIS 72 12.404 -0.617 18.202 586 HB2 HIS 72 HB2 HIS 72 11.541 -1.398 15.885 587 HB3 HIS 72 HB1 HIS 72 13.192 -1.930 15.614 588 HD1 HIS 72 HD1 HIS 72 10.064 -3.118 16.604 589 HD2 HIS 72 HD2 HIS 72 13.956 -3.818 17.872 590 HE1 HIS 72 HE1 HIS 72 10.014 -5.358 17.778 591 HE2 HIS 72 HE2 HIS 72 12.293 -5.553 18.798 592 H HIS 73 HN HIS 73 14.896 -0.022 15.835 593 HA HIS 73 HA HIS 73 16.897 -0.337 17.908 594 HB2 HIS 73 HB2 HIS 73 16.588 -2.454 16.284 595 HB3 HIS 73 HB1 HIS 73 17.504 -1.446 15.175 596 HD1 HIS 73 HD1 HIS 73 18.393 -4.192 16.682 597 HD2 HIS 73 HD2 HIS 73 19.683 -0.337 17.462 598 HE1 HIS 73 HE1 HIS 73 20.598 -4.442 17.816 599 HE2 HIS 73 HE2 HIS 73 21.491 -2.122 17.643 600 H HIS 74 HN HIS 74 17.664 1.663 17.925 601 HA HIS 74 HA HIS 74 17.169 3.472 15.739 602 HB2 HIS 74 HB2 HIS 74 16.680 4.129 18.020 603 HB3 HIS 74 HB1 HIS 74 18.349 3.900 18.491 604 HD1 HIS 74 HD1 HIS 74 16.687 6.062 15.777 605 HD2 HIS 74 HD2 HIS 74 19.414 6.324 18.897 606 HE1 HIS 74 HE1 HIS 74 17.388 8.464 15.868 607 HE2 HIS 74 HE2 HIS 74 18.701 8.612 17.980 608 H HIS 75 HN HIS 75 19.493 1.390 15.885 609 HA HIS 75 HA HIS 75 21.183 2.569 14.053 610 HB2 HIS 75 HB2 HIS 75 23.306 2.772 15.337 611 HB3 HIS 75 HB1 HIS 75 22.113 3.872 15.980 612 HD1 HIS 75 HD1 HIS 75 24.349 1.082 16.947 613 HD2 HIS 75 HD2 HIS 75 21.096 3.116 18.571 614 HE1 HIS 75 HE1 HIS 75 24.358 0.551 19.387 615 HE2 HIS 75 HE2 HIS 75 22.327 1.681 20.328 616 H HIS 76 HN HIS 76 23.444 0.885 14.460 617 HA HIS 76 HA HIS 76 22.014 -1.648 14.398 618 HB2 HIS 76 HB2 HIS 76 23.426 -1.023 12.421 619 HB3 HIS 76 HB1 HIS 76 24.838 -1.043 13.476 620 HD1 HIS 76 HD1 HIS 76 25.832 -3.302 14.051 621 HD2 HIS 76 HD2 HIS 76 22.299 -3.564 11.906 622 HE1 HIS 76 HE1 HIS 76 25.638 -5.702 13.386 623 HE2 HIS 76 HE2 HIS 76 23.334 -5.870 12.423
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