NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571338 | 2miu | 19694 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -14.610 30.710 -2.542 2 H2 MET 1 HT2 MET 1 -13.929 32.228 -2.887 3 H3 MET 1 HT3 MET 1 -13.693 31.513 -1.364 4 HA MET 1 HA MET 1 -12.591 29.610 -2.645 5 HB2 MET 1 HB2 MET 1 -12.727 31.851 -4.669 6 HB3 MET 1 HB1 MET 1 -11.465 30.620 -4.740 7 HG2 MET 1 HG2 MET 1 -14.396 29.899 -4.579 8 HG3 MET 1 HG1 MET 1 -13.580 30.167 -6.120 9 HE1 MET 1 HE1 MET 1 -12.950 26.639 -6.842 10 HE2 MET 1 HE2 MET 1 -12.777 28.294 -7.418 11 HE3 MET 1 HE3 MET 1 -14.329 27.745 -6.789 12 H THR 2 HN THR 2 -12.391 31.976 -0.699 13 HA THR 2 HA THR 2 -9.937 33.336 -1.043 14 HB THR 2 HB THR 2 -11.579 33.858 0.749 15 HG1 THR 2 HG1 THR 2 -9.904 33.952 2.456 16 HG21 THR 2 HG21 THR 2 -11.863 31.320 1.264 17 HG22 THR 2 HG22 THR 2 -11.919 32.462 2.605 18 HG23 THR 2 HG23 THR 2 -10.450 31.538 2.298 19 H GLU 3 HN GLU 3 -10.577 30.236 0.593 20 HA GLU 3 HA GLU 3 -7.673 29.711 0.806 21 HB2 GLU 3 HB2 GLU 3 -8.330 27.780 2.104 22 HB3 GLU 3 HB1 GLU 3 -9.281 29.150 2.663 23 HG2 GLU 3 HG2 GLU 3 -11.067 28.365 0.969 24 HG3 GLU 3 HG1 GLU 3 -10.157 26.855 0.905 25 H ARG 4 HN ARG 4 -7.147 27.287 0.243 26 HA ARG 4 HA ARG 4 -7.919 26.919 -2.604 27 HB2 ARG 4 HB2 ARG 4 -5.708 25.697 -0.939 28 HB3 ARG 4 HB1 ARG 4 -5.932 25.460 -2.667 29 HG2 ARG 4 HG2 ARG 4 -5.635 28.202 -1.416 30 HG3 ARG 4 HG1 ARG 4 -4.253 27.271 -1.979 31 HD2 ARG 4 HD2 ARG 4 -6.005 27.181 -4.164 32 HD3 ARG 4 HD1 ARG 4 -6.221 28.811 -3.543 33 HE ARG 4 HE ARG 4 -4.050 27.996 -5.115 34 HH11 ARG 4 HH21 ARG 4 -4.509 29.382 -1.983 35 HH12 ARG 4 HH22 ARG 4 -2.943 30.114 -1.942 36 HH21 ARG 4 HH11 ARG 4 -2.019 28.954 -5.070 37 HH22 ARG 4 HH12 ARG 4 -1.538 29.877 -3.685 38 H PHE 5 HN PHE 5 -8.957 25.053 -3.282 39 HA PHE 5 HA PHE 5 -9.652 23.032 -1.178 40 HB2 PHE 5 HB2 PHE 5 -11.453 24.674 -2.216 41 HB3 PHE 5 HB1 PHE 5 -11.409 23.551 -3.566 42 HD1 PHE 5 HD1 PHE 5 -11.799 23.735 0.134 43 HD2 PHE 5 HD2 PHE 5 -12.594 21.505 -3.440 44 HE1 PHE 5 HE1 PHE 5 -13.238 22.191 1.424 45 HE2 PHE 5 HE2 PHE 5 -14.045 19.954 -2.150 46 HZ PHE 5 HZ PHE 5 -14.359 20.288 0.280 47 H ASP 6 HN ASP 6 -7.472 22.265 -2.207 48 HA ASP 6 HA ASP 6 -8.180 20.275 -4.320 49 HB2 ASP 6 HB2 ASP 6 -5.482 21.638 -4.303 50 HB3 ASP 6 HB1 ASP 6 -6.223 20.675 -5.584 51 H CYS 7 HN CYS 7 -7.053 18.319 -4.129 52 HA CYS 7 HA CYS 7 -6.348 17.538 -1.500 53 HB2 CYS 7 HB2 CYS 7 -6.968 15.854 -3.030 54 HB3 CYS 7 HB1 CYS 7 -5.792 16.380 -4.217 55 H HIS 8 HN HIS 8 -4.699 18.712 -0.529 56 HA HIS 8 HA HIS 8 -2.538 19.985 -1.707 57 HB2 HIS 8 HB2 HIS 8 -3.270 19.974 0.729 58 HB3 HIS 8 HB1 HIS 8 -2.313 18.524 0.925 59 HD2 HIS 8 HD2 HIS 8 0.545 18.952 0.258 60 HE1 HIS 8 HE1 HIS 8 0.312 23.110 0.951 61 HE2 HIS 8 HE2 HIS 8 1.898 21.156 0.617 62 H HIS 9 HN HIS 9 -2.989 16.559 -1.335 63 HA HIS 9 HA HIS 9 -0.115 16.012 -1.711 64 HB2 HIS 9 HB2 HIS 9 -1.322 14.536 -0.252 65 HB3 HIS 9 HB1 HIS 9 -2.527 14.206 -1.471 66 HD2 HIS 9 HD2 HIS 9 -1.144 11.495 -0.676 67 HE1 HIS 9 HE1 HIS 9 1.618 12.074 -3.815 68 HE2 HIS 9 HE2 HIS 9 0.648 10.369 -2.204 69 H CYS 10 HN CYS 10 -3.034 15.002 -3.608 70 HA CYS 10 HA CYS 10 -1.332 14.670 -5.995 71 HB2 CYS 10 HB2 CYS 10 -4.347 14.500 -5.899 72 HB3 CYS 10 HB1 CYS 10 -3.256 13.735 -7.050 73 H ASN 11 HN ASN 11 -2.908 17.186 -4.519 74 HA ASN 11 HA ASN 11 -3.536 19.332 -5.158 75 HB2 ASN 11 HB2 ASN 11 -1.274 19.537 -5.880 76 HB3 ASN 11 HB1 ASN 11 -1.599 18.629 -7.346 77 HD21 ASN 11 HD21 ASN 11 -2.641 21.644 -5.677 78 HD22 ASN 11 HD22 ASN 11 -2.892 22.526 -7.105 79 H GLU 12 HN GLU 12 -4.994 16.869 -6.270 80 HA GLU 12 HA GLU 12 -6.186 18.048 -8.733 81 HB2 GLU 12 HB2 GLU 12 -7.277 15.929 -9.046 82 HB3 GLU 12 HB1 GLU 12 -5.614 15.573 -8.588 83 HG2 GLU 12 HG2 GLU 12 -6.450 15.391 -6.188 84 HG3 GLU 12 HG1 GLU 12 -8.080 15.427 -6.840 85 H SER 13 HN SER 13 -8.152 19.077 -8.655 86 HA SER 13 HA SER 13 -9.298 20.047 -6.315 87 HB2 SER 13 HB2 SER 13 -10.106 20.984 -8.323 88 HB3 SER 13 HB1 SER 13 -10.519 19.408 -8.993 89 HG SER 13 HG SER 13 -12.387 20.414 -8.259 90 H LEU 14 HN LEU 14 -10.630 19.201 -4.721 91 HA LEU 14 HA LEU 14 -10.905 16.385 -4.428 92 HB2 LEU 14 HB2 LEU 14 -12.505 18.651 -3.234 93 HB3 LEU 14 HB1 LEU 14 -12.740 16.983 -2.780 94 HG LEU 14 HG LEU 14 -11.280 18.123 -1.204 95 HD11 LEU 14 HD11 LEU 14 -9.800 16.382 -0.970 96 HD12 LEU 14 HD12 LEU 14 -9.407 16.329 -2.686 97 HD13 LEU 14 HD13 LEU 14 -10.931 15.652 -2.106 98 HD21 LEU 14 HD21 LEU 14 -9.268 19.163 -1.794 99 HD22 LEU 14 HD22 LEU 14 -10.396 19.697 -3.037 100 HD23 LEU 14 HD23 LEU 14 -9.241 18.408 -3.385 101 H PHE 15 HN PHE 15 -12.310 15.003 -5.308 102 HA PHE 15 HA PHE 15 -14.011 15.948 -7.453 103 HB2 PHE 15 HB2 PHE 15 -14.379 13.527 -7.836 104 HB3 PHE 15 HB1 PHE 15 -12.675 13.946 -7.716 105 HD1 PHE 15 HD2 PHE 15 -11.480 13.602 -5.423 106 HD2 PHE 15 HD1 PHE 15 -15.345 11.963 -6.368 107 HE1 PHE 15 HE2 PHE 15 -11.267 12.010 -3.546 108 HE2 PHE 15 HE1 PHE 15 -15.114 10.354 -4.496 109 HZ PHE 15 HZ PHE 15 -13.078 10.380 -3.085 110 H GLY 16 HN GLY 16 -15.869 16.961 -6.686 111 HA2 GLY 16 HA2 GLY 16 -18.027 17.105 -5.758 112 HA3 GLY 16 HA1 GLY 16 -18.151 15.505 -6.465 113 H LYS 17 HN LYS 17 -15.869 15.544 -3.855 114 HA LYS 17 HA LYS 17 -18.061 14.589 -2.010 115 HB2 LYS 17 HB2 LYS 17 -17.033 12.665 -3.104 116 HB3 LYS 17 HB1 LYS 17 -15.436 13.210 -2.599 117 HG2 LYS 17 HG2 LYS 17 -15.848 12.772 -0.330 118 HG3 LYS 17 HG1 LYS 17 -17.597 12.766 -0.541 119 HD2 LYS 17 HD2 LYS 17 -16.007 10.697 -2.040 120 HD3 LYS 17 HD1 LYS 17 -16.194 10.480 -0.302 121 HE2 LYS 17 HE2 LYS 17 -18.000 9.313 -1.435 122 HE3 LYS 17 HE1 LYS 17 -18.672 10.700 -0.581 123 HZ1 LYS 17 HZ1 LYS 17 -19.412 10.338 -2.960 124 HZ2 LYS 17 HZ2 LYS 17 -17.861 10.854 -3.421 125 HZ3 LYS 17 HZ3 LYS 17 -18.885 11.899 -2.558 126 H LYS 18 HN LYS 18 -17.544 14.457 0.202 127 HA LYS 18 HA LYS 18 -16.333 16.714 1.342 128 HB2 LYS 18 HB2 LYS 18 -16.644 13.941 2.547 129 HB3 LYS 18 HB1 LYS 18 -16.275 15.401 3.460 130 HG2 LYS 18 HG2 LYS 18 -18.551 15.569 3.711 131 HG3 LYS 18 HG1 LYS 18 -18.517 16.219 2.077 132 HD2 LYS 18 HD2 LYS 18 -20.120 14.523 1.888 133 HD3 LYS 18 HD1 LYS 18 -18.661 13.695 1.350 134 HE2 LYS 18 HE2 LYS 18 -18.368 13.000 3.822 135 HE3 LYS 18 HE1 LYS 18 -20.050 13.492 4.021 136 HZ1 LYS 18 HZ1 LYS 18 -19.731 11.104 3.476 137 HZ2 LYS 18 HZ2 LYS 18 -19.127 11.570 1.958 138 HZ3 LYS 18 HZ3 LYS 18 -20.731 11.931 2.385 139 H TYR 19 HN TYR 19 -14.301 16.557 2.836 140 HA TYR 19 HA TYR 19 -12.221 14.769 1.671 141 HB2 TYR 19 HB2 TYR 19 -10.751 16.646 1.206 142 HB3 TYR 19 HB1 TYR 19 -12.286 16.877 0.369 143 HD1 TYR 19 HD1 TYR 19 -14.112 18.262 1.587 144 HD2 TYR 19 HD2 TYR 19 -9.958 18.314 2.657 145 HE1 TYR 19 HE1 TYR 19 -14.447 20.415 2.768 146 HE2 TYR 19 HE2 TYR 19 -10.291 20.475 3.838 147 HH TYR 19 HH TYR 19 -12.826 21.588 4.943 148 H ILE 20 HN ILE 20 -10.251 14.746 2.900 149 HA ILE 20 HA ILE 20 -10.714 15.274 5.809 150 HB ILE 20 HB ILE 20 -8.864 13.355 4.364 151 HG12 ILE 20 HG12 ILE 20 -11.156 12.581 6.168 152 HG13 ILE 20 HG11 ILE 20 -11.474 12.984 4.486 153 HG21 ILE 20 HG21 ILE 20 -7.778 13.959 6.388 154 HG22 ILE 20 HG22 ILE 20 -8.601 12.443 6.752 155 HG23 ILE 20 HG23 ILE 20 -9.291 13.973 7.293 156 HD11 ILE 20 HD11 ILE 20 -9.364 10.968 5.276 157 HD12 ILE 20 HD12 ILE 20 -10.082 11.227 3.686 158 HD13 ILE 20 HD13 ILE 20 -11.042 10.513 4.980 159 H LEU 21 HN LEU 21 -9.267 16.609 6.893 160 HA LEU 21 HA LEU 21 -7.164 17.916 5.264 161 HB2 LEU 21 HB2 LEU 21 -8.066 18.395 8.121 162 HB3 LEU 21 HB1 LEU 21 -6.704 19.227 7.352 163 HG LEU 21 HG LEU 21 -8.858 20.523 7.296 164 HD11 LEU 21 HD11 LEU 21 -8.427 21.404 5.189 165 HD12 LEU 21 HD12 LEU 21 -8.140 19.830 4.461 166 HD13 LEU 21 HD13 LEU 21 -6.918 20.554 5.502 167 HD21 LEU 21 HD21 LEU 21 -10.210 18.338 6.897 168 HD22 LEU 21 HD22 LEU 21 -9.783 18.559 5.198 169 HD23 LEU 21 HD23 LEU 21 -10.715 19.794 6.041 170 H ARG 22 HN ARG 22 -5.493 16.626 5.031 171 HA ARG 22 HA ARG 22 -4.450 15.110 7.370 172 HB2 ARG 22 HB2 ARG 22 -5.071 13.780 5.338 173 HB3 ARG 22 HB1 ARG 22 -3.960 14.762 4.413 174 HG2 ARG 22 HG2 ARG 22 -2.941 12.655 4.963 175 HG3 ARG 22 HG1 ARG 22 -2.111 13.979 5.755 176 HD2 ARG 22 HD2 ARG 22 -4.029 13.165 7.642 177 HD3 ARG 22 HD1 ARG 22 -3.588 11.669 6.887 178 HE ARG 22 HE ARG 22 -2.075 12.911 8.868 179 HH11 ARG 22 HH21 ARG 22 -1.537 11.962 5.581 180 HH12 ARG 22 HH22 ARG 22 0.173 11.835 5.776 181 HH21 ARG 22 HH11 ARG 22 0.140 12.727 9.116 182 HH22 ARG 22 HH12 ARG 22 1.121 12.258 7.767 183 H GLU 23 HN GLU 23 -2.349 15.492 8.068 184 HA GLU 23 HA GLU 23 -0.458 16.861 8.407 185 HB2 GLU 23 HB2 GLU 23 -0.582 16.705 5.375 186 HB3 GLU 23 HB1 GLU 23 0.702 17.566 6.221 187 HG2 GLU 23 HG2 GLU 23 1.133 15.419 7.514 188 HG3 GLU 23 HG1 GLU 23 0.041 14.622 6.385 189 H GLU 24 HN GLU 24 -2.913 18.040 8.704 190 HA GLU 24 HA GLU 24 -4.129 20.027 8.567 191 HB2 GLU 24 HB2 GLU 24 -2.839 22.062 8.973 192 HB3 GLU 24 HB1 GLU 24 -2.206 20.754 9.963 193 HG2 GLU 24 HG2 GLU 24 -0.298 20.479 8.538 194 HG3 GLU 24 HG1 GLU 24 -0.993 21.514 7.288 195 H SER 25 HN SER 25 -3.707 18.681 6.117 196 HA SER 25 HA SER 25 -4.093 20.954 4.294 197 HB2 SER 25 HB2 SER 25 -2.262 18.743 3.401 198 HB3 SER 25 HB1 SER 25 -2.400 20.379 2.779 199 HG SER 25 HG SER 25 -0.653 19.564 4.462 200 HA PRO 26 HA PRO 26 -7.377 18.244 2.959 201 HB2 PRO 26 HB2 PRO 26 -7.520 19.203 0.271 202 HB3 PRO 26 HB1 PRO 26 -8.475 19.770 1.642 203 HG2 PRO 26 HG2 PRO 26 -6.197 21.080 0.312 204 HG3 PRO 26 HG1 PRO 26 -7.378 21.774 1.431 205 HD2 PRO 26 HD2 PRO 26 -4.681 21.168 2.040 206 HD3 PRO 26 HD1 PRO 26 -5.962 21.538 3.213 207 H TYR 27 HN TYR 27 -7.209 16.139 2.323 208 HA TYR 27 HA TYR 27 -5.347 15.419 0.074 209 HB2 TYR 27 HB2 TYR 27 -5.924 14.106 2.728 210 HB3 TYR 27 HB1 TYR 27 -5.597 13.065 1.355 211 HD1 TYR 27 HD2 TYR 27 -3.777 16.244 1.372 212 HD2 TYR 27 HD1 TYR 27 -3.742 12.228 2.728 213 HE1 TYR 27 HE2 TYR 27 -1.405 16.489 1.792 214 HE2 TYR 27 HE1 TYR 27 -1.335 12.438 3.199 215 HH TYR 27 HH TYR 27 0.576 14.966 2.007 216 H CYS 28 HN CYS 28 -6.307 13.991 -1.469 217 HA CYS 28 HA CYS 28 -9.200 14.081 -1.581 218 HB2 CYS 28 HB2 CYS 28 -8.996 12.563 -3.515 219 HB3 CYS 28 HB1 CYS 28 -7.863 13.894 -3.653 220 H VAL 29 HN VAL 29 -10.653 12.306 -1.196 221 HA VAL 29 HA VAL 29 -10.315 10.817 1.100 222 HB VAL 29 HB VAL 29 -11.719 9.672 -1.320 223 HG11 VAL 29 HG11 VAL 29 -11.594 8.339 0.773 224 HG12 VAL 29 HG12 VAL 29 -13.246 8.811 0.372 225 HG13 VAL 29 HG13 VAL 29 -12.365 9.669 1.636 226 HG21 VAL 29 HG21 VAL 29 -12.486 11.988 0.468 227 HG22 VAL 29 HG22 VAL 29 -13.681 11.065 -0.444 228 HG23 VAL 29 HG23 VAL 29 -12.417 11.954 -1.294 229 H VAL 30 HN VAL 30 -9.719 9.599 -2.186 230 HA VAL 30 HA VAL 30 -8.730 7.078 -1.670 231 HB VAL 30 HB VAL 30 -7.377 8.952 -3.614 232 HG11 VAL 30 HG11 VAL 30 -7.144 6.928 -4.937 233 HG12 VAL 30 HG12 VAL 30 -8.103 6.016 -3.771 234 HG13 VAL 30 HG13 VAL 30 -6.512 6.628 -3.318 235 HG21 VAL 30 HG21 VAL 30 -10.110 7.659 -3.723 236 HG22 VAL 30 HG22 VAL 30 -9.247 8.158 -5.177 237 HG23 VAL 30 HG23 VAL 30 -9.701 9.357 -3.967 238 H CYS 31 HN CYS 31 -6.708 10.062 -1.722 239 HA CYS 31 HA CYS 31 -4.248 8.945 -1.082 240 HB2 CYS 31 HB2 CYS 31 -5.524 11.562 -0.450 241 HB3 CYS 31 HB1 CYS 31 -4.098 11.141 0.493 242 H PHE 32 HN PHE 32 -6.433 10.267 1.413 243 HA PHE 32 HA PHE 32 -5.177 9.270 3.672 244 HB2 PHE 32 HB2 PHE 32 -7.268 10.679 3.615 245 HB3 PHE 32 HB1 PHE 32 -8.182 9.208 3.288 246 HD1 PHE 32 HD1 PHE 32 -8.041 7.281 4.947 247 HD2 PHE 32 HD2 PHE 32 -6.584 11.226 5.821 248 HE1 PHE 32 HE1 PHE 32 -8.069 6.755 7.372 249 HE2 PHE 32 HE2 PHE 32 -6.612 10.701 8.244 250 HZ PHE 32 HZ PHE 32 -7.354 8.465 9.020 251 H GLU 33 HN GLU 33 -7.514 7.426 1.655 252 HA GLU 33 HA GLU 33 -7.298 5.069 3.306 253 HB2 GLU 33 HB2 GLU 33 -8.081 5.100 0.387 254 HB3 GLU 33 HB1 GLU 33 -8.583 3.969 1.640 255 HG2 GLU 33 HG2 GLU 33 -9.494 6.211 2.785 256 HG3 GLU 33 HG1 GLU 33 -9.529 6.759 1.118 257 H THR 34 HN THR 34 -6.174 5.538 -0.053 258 HA THR 34 HA THR 34 -4.589 3.257 -0.233 259 HB THR 34 HB THR 34 -5.100 5.181 -1.960 260 HG1 THR 34 HG1 THR 34 -2.628 3.806 -2.018 261 HG21 THR 34 HG21 THR 34 -3.315 6.691 -2.393 262 HG22 THR 34 HG22 THR 34 -2.248 5.871 -1.254 263 HG23 THR 34 HG23 THR 34 -3.622 6.800 -0.664 264 H LEU 35 HN LEU 35 -3.574 6.401 1.108 265 HA LEU 35 HA LEU 35 -0.860 5.760 1.561 266 HB2 LEU 35 HB2 LEU 35 -2.732 7.498 3.174 267 HB3 LEU 35 HB1 LEU 35 -0.992 7.446 3.417 268 HG LEU 35 HG LEU 35 -2.207 8.076 0.717 269 HD11 LEU 35 HD11 LEU 35 -3.071 9.692 2.345 270 HD12 LEU 35 HD12 LEU 35 -1.886 10.457 1.287 271 HD13 LEU 35 HD13 LEU 35 -1.435 9.995 2.928 272 HD21 LEU 35 HD21 LEU 35 0.113 7.560 0.511 273 HD22 LEU 35 HD22 LEU 35 0.519 8.411 2.000 274 HD23 LEU 35 HD23 LEU 35 0.051 9.318 0.565 275 H PHE 36 HN PHE 36 -3.487 5.564 3.993 276 HA PHE 36 HA PHE 36 -1.742 3.802 5.641 277 HB2 PHE 36 HB2 PHE 36 -4.453 4.761 6.509 278 HB3 PHE 36 HB1 PHE 36 -3.000 4.497 7.468 279 HD1 PHE 36 HD2 PHE 36 -0.976 5.975 5.817 280 HD2 PHE 36 HD1 PHE 36 -4.989 7.022 6.944 281 HE1 PHE 36 HE2 PHE 36 -0.410 8.370 5.600 282 HE2 PHE 36 HE1 PHE 36 -4.416 9.425 6.723 283 HZ PHE 36 HZ PHE 36 -2.124 10.092 6.049 284 H ALA 37 HN ALA 37 -4.000 3.287 3.277 285 HA ALA 37 HA ALA 37 -5.730 1.340 4.434 286 HB1 ALA 37 HB1 ALA 37 -5.729 0.417 1.976 287 HB2 ALA 37 HB2 ALA 37 -4.765 1.853 1.631 288 HB3 ALA 37 HB3 ALA 37 -6.391 2.020 2.291 289 H ASN 38 HN ASN 38 -5.612 -0.983 4.290 290 HA ASN 38 HA ASN 38 -2.849 -2.010 4.650 291 HB2 ASN 38 HB2 ASN 38 -5.606 -3.066 5.302 292 HB3 ASN 38 HB1 ASN 38 -4.178 -4.091 5.369 293 HD21 ASN 38 HD21 ASN 38 -2.282 -3.051 6.724 294 HD22 ASN 38 HD22 ASN 38 -2.741 -2.263 8.155 295 H THR 39 HN THR 39 -2.173 -3.942 3.471 296 HA THR 39 HA THR 39 -3.329 -4.028 0.744 297 HB THR 39 HB THR 39 -0.991 -5.678 1.721 298 HG1 THR 39 HG1 THR 39 0.030 -3.895 2.064 299 HG21 THR 39 HG21 THR 39 -0.294 -5.495 -0.600 300 HG22 THR 39 HG22 THR 39 -1.600 -4.360 -0.941 301 HG23 THR 39 HG23 THR 39 -1.970 -6.040 -0.555 302 H CYS 40 HN CYS 40 -4.433 -5.775 -0.087 303 HA CYS 40 HA CYS 40 -5.229 -7.911 1.821 304 HB2 CYS 40 HB2 CYS 40 -7.088 -7.038 0.628 305 HB3 CYS 40 HB1 CYS 40 -6.220 -7.036 -0.903 306 H GLU 41 HN GLU 41 -3.660 -9.388 1.947 307 HA GLU 41 HA GLU 41 -1.690 -10.108 0.155 308 HB2 GLU 41 HB2 GLU 41 -3.232 -12.027 1.919 309 HB3 GLU 41 HB1 GLU 41 -1.596 -12.254 1.305 310 HG2 GLU 41 HG2 GLU 41 -0.810 -10.310 2.554 311 HG3 GLU 41 HG1 GLU 41 -2.447 -9.949 3.091 312 H GLU 42 HN GLU 42 -5.079 -10.691 -0.211 313 HA GLU 42 HA GLU 42 -4.669 -12.858 -2.184 314 HB2 GLU 42 HB2 GLU 42 -6.676 -12.588 -0.510 315 HB3 GLU 42 HB1 GLU 42 -7.309 -11.472 -1.716 316 HG2 GLU 42 HG2 GLU 42 -6.489 -14.340 -2.258 317 HG3 GLU 42 HG1 GLU 42 -8.148 -13.775 -2.063 318 H CYS 43 HN CYS 43 -6.132 -9.576 -2.237 319 HA CYS 43 HA CYS 43 -6.038 -9.534 -5.172 320 HB2 CYS 43 HB2 CYS 43 -6.699 -7.303 -3.226 321 HB3 CYS 43 HB1 CYS 43 -7.031 -7.312 -4.957 322 H GLY 44 HN GLY 44 -4.373 -7.896 -2.488 323 HA2 GLY 44 HA2 GLY 44 -2.051 -7.245 -2.559 324 HA3 GLY 44 HA1 GLY 44 -2.104 -7.311 -4.322 325 H LYS 45 HN LYS 45 -4.889 -5.843 -3.697 326 HA LYS 45 HA LYS 45 -3.738 -3.153 -4.098 327 HB2 LYS 45 HB2 LYS 45 -6.639 -4.032 -4.114 328 HB3 LYS 45 HB1 LYS 45 -6.005 -2.509 -4.729 329 HG2 LYS 45 HG2 LYS 45 -4.537 -3.940 -6.288 330 HG3 LYS 45 HG1 LYS 45 -5.577 -5.288 -5.832 331 HD2 LYS 45 HD2 LYS 45 -6.700 -4.525 -7.725 332 HD3 LYS 45 HD1 LYS 45 -7.529 -3.598 -6.476 333 HE2 LYS 45 HE2 LYS 45 -5.999 -1.688 -6.900 334 HE3 LYS 45 HE1 LYS 45 -5.205 -2.620 -8.168 335 HZ1 LYS 45 HZ1 LYS 45 -7.395 -2.800 -9.269 336 HZ2 LYS 45 HZ2 LYS 45 -6.825 -1.203 -9.162 337 HZ3 LYS 45 HZ3 LYS 45 -8.040 -1.748 -8.106 338 HA PRO 46 HA PRO 46 -4.354 -1.918 0.124 339 HB2 PRO 46 HB2 PRO 46 -5.559 0.652 -0.533 340 HB3 PRO 46 HB1 PRO 46 -3.926 0.331 0.064 341 HG2 PRO 46 HG2 PRO 46 -4.706 1.091 -2.607 342 HG3 PRO 46 HG1 PRO 46 -3.074 0.745 -2.015 343 HD2 PRO 46 HD2 PRO 46 -4.677 -0.880 -3.767 344 HD3 PRO 46 HD1 PRO 46 -3.064 -1.245 -3.127 345 H ILE 47 HN ILE 47 -6.069 -2.062 1.623 346 HA ILE 47 HA ILE 47 -8.788 -2.474 0.467 347 HB ILE 47 HB ILE 47 -7.855 -3.042 3.298 348 HG12 ILE 47 HG12 ILE 47 -7.938 -4.898 0.892 349 HG13 ILE 47 HG11 ILE 47 -6.475 -4.295 1.661 350 HG21 ILE 47 HG21 ILE 47 -9.818 -4.584 3.251 351 HG22 ILE 47 HG22 ILE 47 -10.191 -4.019 1.624 352 HG23 ILE 47 HG23 ILE 47 -10.287 -2.906 2.984 353 HD11 ILE 47 HD11 ILE 47 -7.771 -5.360 3.823 354 HD12 ILE 47 HD12 ILE 47 -6.593 -6.236 2.848 355 HD13 ILE 47 HD13 ILE 47 -8.316 -6.437 2.538 356 H GLY 48 HN GLY 48 -9.826 -0.519 0.354 357 HA2 GLY 48 HA2 GLY 48 -9.344 1.631 2.235 358 HA3 GLY 48 HA1 GLY 48 -10.618 1.598 1.016 359 H CYS 49 HN CYS 49 -10.938 2.503 3.738 360 HA CYS 49 HA CYS 49 -12.200 0.462 5.342 361 HB2 CYS 49 HB2 CYS 49 -11.300 2.712 6.151 362 HB3 CYS 49 HB1 CYS 49 -12.757 3.434 5.470 363 HG CYS 49 HG CYS 49 -14.025 2.639 7.438 364 H ASP 50 HN ASP 50 -13.167 2.097 2.524 365 HA ASP 50 HA ASP 50 -16.024 2.166 3.051 366 HB2 ASP 50 HB2 ASP 50 -14.971 3.620 1.347 367 HB3 ASP 50 HB1 ASP 50 -14.525 2.192 0.412 368 H CYS 51 HN CYS 51 -14.454 -0.411 3.414 369 HA CYS 51 HA CYS 51 -16.442 -2.155 2.116 370 HB2 CYS 51 HB2 CYS 51 -13.481 -2.614 1.649 371 HB3 CYS 51 HB1 CYS 51 -14.818 -3.559 0.995 372 HG CYS 51 HG CYS 51 -14.418 -0.559 0.196 373 H LYS 52 HN LYS 52 -15.904 -4.537 2.832 374 HA LYS 52 HA LYS 52 -15.581 -4.462 5.735 375 HB2 LYS 52 HB2 LYS 52 -15.754 -6.932 3.996 376 HB3 LYS 52 HB1 LYS 52 -16.207 -6.769 5.692 377 HG2 LYS 52 HG2 LYS 52 -17.570 -5.383 3.362 378 HG3 LYS 52 HG1 LYS 52 -18.205 -6.769 4.248 379 HD2 LYS 52 HD2 LYS 52 -17.962 -5.291 6.359 380 HD3 LYS 52 HD1 LYS 52 -17.801 -3.943 5.233 381 HE2 LYS 52 HE2 LYS 52 -20.126 -5.889 5.262 382 HE3 LYS 52 HE1 LYS 52 -20.155 -4.281 5.984 383 HZ1 LYS 52 HZ1 LYS 52 -19.439 -3.487 3.687 384 HZ2 LYS 52 HZ2 LYS 52 -21.053 -3.984 3.876 385 HZ3 LYS 52 HZ3 LYS 52 -19.926 -5.014 3.132 386 H ASP 53 HN ASP 53 -13.432 -3.956 6.217 387 HA ASP 53 HA ASP 53 -11.241 -5.433 4.912 388 HB2 ASP 53 HB2 ASP 53 -9.784 -4.062 6.359 389 HB3 ASP 53 HB1 ASP 53 -10.947 -3.051 5.500 390 H LEU 54 HN LEU 54 -11.212 -7.567 5.580 391 HA LEU 54 HA LEU 54 -11.840 -8.323 8.295 392 HB2 LEU 54 HB2 LEU 54 -11.838 -9.654 5.929 393 HB3 LEU 54 HB1 LEU 54 -10.277 -10.174 6.524 394 HG LEU 54 HG LEU 54 -13.004 -10.989 7.362 395 HD11 LEU 54 HD11 LEU 54 -11.511 -12.607 6.444 396 HD12 LEU 54 HD12 LEU 54 -11.714 -13.003 8.148 397 HD13 LEU 54 HD13 LEU 54 -10.246 -12.200 7.602 398 HD21 LEU 54 HD21 LEU 54 -11.010 -10.172 9.466 399 HD22 LEU 54 HD22 LEU 54 -12.051 -11.556 9.752 400 HD23 LEU 54 HD23 LEU 54 -12.760 -9.976 9.463 401 H SER 55 HN SER 55 -10.420 -8.323 10.010 402 HA SER 55 HA SER 55 -7.479 -8.099 9.418 403 HB2 SER 55 HB2 SER 55 -7.251 -6.797 11.410 404 HB3 SER 55 HB1 SER 55 -8.642 -6.131 10.559 405 HG SER 55 HG SER 55 -9.826 -7.784 11.926 406 H TYR 56 HN TYR 56 -6.334 -9.883 10.022 407 HA TYR 56 HA TYR 56 -7.152 -11.376 12.455 408 HB2 TYR 56 HB2 TYR 56 -8.188 -12.337 10.217 409 HB3 TYR 56 HB1 TYR 56 -6.559 -12.958 9.953 410 HD1 TYR 56 HD1 TYR 56 -5.469 -14.234 11.947 411 HD2 TYR 56 HD2 TYR 56 -9.687 -13.561 11.567 412 HE1 TYR 56 HE1 TYR 56 -5.903 -16.103 13.519 413 HE2 TYR 56 HE2 TYR 56 -10.126 -15.431 13.138 414 HH TYR 56 HH TYR 56 -7.442 -17.302 14.562 415 H LYS 57 HN LYS 57 -5.322 -11.569 13.634 416 HA LYS 57 HA LYS 57 -3.066 -11.759 14.205 417 HB2 LYS 57 HB2 LYS 57 -3.427 -13.937 12.992 418 HB3 LYS 57 HB1 LYS 57 -2.797 -13.159 11.542 419 HG2 LYS 57 HG2 LYS 57 -0.669 -12.734 12.628 420 HG3 LYS 57 HG1 LYS 57 -1.299 -13.304 14.171 421 HD2 LYS 57 HD2 LYS 57 -1.658 -15.552 13.157 422 HD3 LYS 57 HD1 LYS 57 -0.918 -14.968 11.666 423 HE2 LYS 57 HE2 LYS 57 0.689 -16.197 13.146 424 HE3 LYS 57 HE1 LYS 57 1.180 -14.536 12.814 425 HZ1 LYS 57 HZ1 LYS 57 -0.473 -15.083 15.175 426 HZ2 LYS 57 HZ2 LYS 57 0.679 -13.861 14.923 427 HZ3 LYS 57 HZ3 LYS 57 1.180 -15.454 15.236 428 H ASP 58 HN ASP 58 -3.260 -9.320 13.630 429 HA ASP 58 HA ASP 58 -2.341 -7.401 12.643 430 HB2 ASP 58 HB2 ASP 58 -0.414 -8.490 13.847 431 HB3 ASP 58 HB1 ASP 58 0.066 -9.200 12.305 432 H ARG 59 HN ARG 59 -3.317 -9.766 10.696 433 HA ARG 59 HA ARG 59 -2.057 -8.610 8.226 434 HB2 ARG 59 HB2 ARG 59 -3.367 -11.296 8.711 435 HB3 ARG 59 HB1 ARG 59 -2.919 -10.699 7.118 436 HG2 ARG 59 HG2 ARG 59 -0.613 -10.669 7.657 437 HG3 ARG 59 HG1 ARG 59 -0.923 -10.844 9.376 438 HD2 ARG 59 HD2 ARG 59 -1.887 -13.098 8.943 439 HD3 ARG 59 HD1 ARG 59 -1.456 -12.922 7.245 440 HE ARG 59 HE ARG 59 0.932 -12.481 8.573 441 HH11 ARG 59 HH21 ARG 59 -1.503 -14.923 8.555 442 HH12 ARG 59 HH22 ARG 59 -0.405 -16.206 8.937 443 HH21 ARG 59 HH11 ARG 59 2.379 -14.144 9.072 444 HH22 ARG 59 HH12 ARG 59 1.791 -15.765 9.232 445 H HIS 60 HN HIS 60 -3.635 -8.526 6.345 446 HA HIS 60 HA HIS 60 -6.413 -7.876 7.292 447 HB2 HIS 60 HB2 HIS 60 -4.659 -6.351 5.359 448 HB3 HIS 60 HB1 HIS 60 -6.388 -6.066 5.544 449 HD2 HIS 60 HD2 HIS 60 -7.084 -4.517 7.763 450 HE1 HIS 60 HE1 HIS 60 -3.252 -4.360 9.529 451 HE2 HIS 60 HE2 HIS 60 -5.629 -3.477 9.666 452 H TRP 61 HN TRP 61 -8.075 -8.251 5.755 453 HA TRP 61 HA TRP 61 -7.436 -9.458 3.157 454 HB2 TRP 61 HB2 TRP 61 -8.217 -11.069 5.559 455 HB3 TRP 61 HB1 TRP 61 -9.018 -11.495 4.054 456 HD1 TRP 61 HD1 TRP 61 -7.047 -11.598 1.898 457 HE1 TRP 61 HE1 TRP 61 -4.893 -13.015 1.959 458 HE3 TRP 61 HE3 TRP 61 -6.503 -12.171 6.948 459 HZ2 TRP 61 HZ2 TRP 61 -3.164 -14.221 3.889 460 HZ3 TRP 61 HZ3 TRP 61 -4.591 -13.453 7.868 461 HH2 TRP 61 HH2 TRP 61 -2.926 -14.481 6.344 462 H HIS 62 HN HIS 62 -9.310 -9.477 1.798 463 HA HIS 62 HA HIS 62 -11.501 -7.751 2.671 464 HB2 HIS 62 HB2 HIS 62 -11.073 -9.477 0.217 465 HB3 HIS 62 HB1 HIS 62 -12.568 -8.602 0.485 466 HD2 HIS 62 HD2 HIS 62 -11.907 -5.661 0.992 467 HE1 HIS 62 HE1 HIS 62 -8.742 -5.863 -1.793 468 HE2 HIS 62 HE2 HIS 62 -10.256 -4.293 -0.496 469 H GLU 63 HN GLU 63 -13.260 -8.539 3.840 470 HA GLU 63 HA GLU 63 -13.436 -11.047 4.974 471 HB2 GLU 63 HB2 GLU 63 -14.967 -8.968 5.274 472 HB3 GLU 63 HB1 GLU 63 -15.947 -9.672 3.993 473 HG2 GLU 63 HG2 GLU 63 -15.154 -11.330 6.397 474 HG3 GLU 63 HG1 GLU 63 -16.526 -10.235 6.481 475 H ALA 64 HN ALA 64 -14.037 -10.262 1.651 476 HA ALA 64 HA ALA 64 -15.422 -12.823 1.107 477 HB1 ALA 64 HB1 ALA 64 -16.007 -10.609 -0.020 478 HB2 ALA 64 HB2 ALA 64 -15.769 -11.986 -1.096 479 HB3 ALA 64 HB3 ALA 64 -14.497 -10.778 -0.916 480 H CYS 65 HN CYS 65 -12.195 -11.480 0.903 481 HA CYS 65 HA CYS 65 -11.226 -13.461 -1.024 482 HB2 CYS 65 HB2 CYS 65 -9.891 -11.398 0.716 483 HB3 CYS 65 HB1 CYS 65 -8.953 -12.567 -0.205 484 H PHE 66 HN PHE 66 -11.412 -13.205 2.460 485 HA PHE 66 HA PHE 66 -9.535 -15.340 2.999 486 HB2 PHE 66 HB2 PHE 66 -10.549 -13.407 4.512 487 HB3 PHE 66 HB1 PHE 66 -11.759 -14.624 4.893 488 HD1 PHE 66 HD2 PHE 66 -10.542 -17.094 5.219 489 HD2 PHE 66 HD1 PHE 66 -8.831 -13.262 6.070 490 HE1 PHE 66 HE2 PHE 66 -8.979 -18.156 6.809 491 HE2 PHE 66 HE1 PHE 66 -7.255 -14.319 7.666 492 HZ PHE 66 HZ PHE 66 -7.329 -16.769 8.032 493 H HIS 67 HN HIS 67 -10.028 -17.321 2.060 494 HA HIS 67 HA HIS 67 -12.483 -18.654 2.987 495 HB2 HIS 67 HB2 HIS 67 -13.058 -19.370 0.626 496 HB3 HIS 67 HB1 HIS 67 -13.337 -17.664 0.965 497 HD2 HIS 67 HD2 HIS 67 -10.762 -19.887 -1.041 498 HE1 HIS 67 HE1 HIS 67 -10.203 -15.854 -2.157 499 HE2 HIS 67 HE2 HIS 67 -9.518 -18.249 -2.649 500 H CYS 68 HN CYS 68 -12.516 -21.007 2.031 501 HA CYS 68 HA CYS 68 -9.854 -22.161 2.539 502 HB2 CYS 68 HB2 CYS 68 -11.663 -23.359 3.558 503 HB3 CYS 68 HB1 CYS 68 -12.599 -23.359 2.067 504 H SER 69 HN SER 69 -8.637 -23.300 0.977 505 HA SER 69 HA SER 69 -9.021 -22.458 -1.764 506 HB2 SER 69 HB2 SER 69 -6.813 -23.015 -0.540 507 HB3 SER 69 HB1 SER 69 -7.196 -24.696 -0.887 508 HG SER 69 HG SER 69 -7.544 -23.064 -3.042 509 H GLN 70 HN GLN 70 -10.031 -25.266 0.055 510 HA GLN 70 HA GLN 70 -10.647 -26.772 -2.445 511 HB2 GLN 70 HB2 GLN 70 -11.031 -27.662 0.422 512 HB3 GLN 70 HB1 GLN 70 -11.023 -28.676 -1.019 513 HG2 GLN 70 HG2 GLN 70 -8.630 -26.999 -0.282 514 HG3 GLN 70 HG1 GLN 70 -8.859 -28.600 0.404 515 HE21 GLN 70 HE21 GLN 70 -7.219 -27.109 -1.993 516 HE22 GLN 70 HE22 GLN 70 -7.194 -28.338 -3.157 517 H CYS 71 HN CYS 71 -12.311 -25.697 0.521 518 HA CYS 71 HA CYS 71 -14.931 -26.311 -0.727 519 HB2 CYS 71 HB2 CYS 71 -14.583 -24.994 1.963 520 HB3 CYS 71 HB1 CYS 71 -15.867 -26.069 1.407 521 H ARG 72 HN ARG 72 -12.850 -23.673 -0.697 522 HA ARG 72 HA ARG 72 -13.178 -21.388 -1.096 523 HB2 ARG 72 HB2 ARG 72 -15.740 -22.245 -2.444 524 HB3 ARG 72 HB1 ARG 72 -14.666 -20.917 -2.875 525 HG2 ARG 72 HG2 ARG 72 -12.893 -22.549 -3.453 526 HG3 ARG 72 HG1 ARG 72 -14.004 -23.862 -3.087 527 HD2 ARG 72 HD2 ARG 72 -14.478 -21.723 -5.172 528 HD3 ARG 72 HD1 ARG 72 -13.904 -23.346 -5.532 529 HE ARG 72 HE ARG 72 -16.638 -22.515 -5.101 530 HH11 ARG 72 HH21 ARG 72 -14.458 -25.084 -4.332 531 HH12 ARG 72 HH22 ARG 72 -15.725 -26.200 -3.944 532 HH21 ARG 72 HH11 ARG 72 -18.276 -23.957 -4.606 533 HH22 ARG 72 HH12 ARG 72 -17.878 -25.564 -4.098 534 H ASN 73 HN ASN 73 -14.645 -22.830 1.216 535 HA ASN 73 HA ASN 73 -17.039 -21.288 1.715 536 HB2 ASN 73 HB2 ASN 73 -15.142 -22.855 3.469 537 HB3 ASN 73 HB1 ASN 73 -16.496 -21.956 4.155 538 HD21 ASN 73 HD21 ASN 73 -18.467 -22.388 2.236 539 HD22 ASN 73 HD22 ASN 73 -18.841 -24.040 2.159 540 H SER 74 HN SER 74 -17.173 -19.394 3.118 541 HA SER 74 HA SER 74 -14.722 -17.741 2.980 542 HB2 SER 74 HB2 SER 74 -17.525 -17.125 3.963 543 HB3 SER 74 HB1 SER 74 -16.215 -15.951 3.881 544 HG SER 74 HG SER 74 -17.052 -17.494 1.657 545 H LEU 75 HN LEU 75 -13.304 -18.557 4.581 546 HA LEU 75 HA LEU 75 -14.306 -19.112 7.279 547 HB2 LEU 75 HB2 LEU 75 -11.410 -18.791 6.500 548 HB3 LEU 75 HB1 LEU 75 -12.081 -19.733 7.819 549 HG LEU 75 HG LEU 75 -12.832 -20.403 4.970 550 HD11 LEU 75 HD11 LEU 75 -10.586 -20.589 4.574 551 HD12 LEU 75 HD12 LEU 75 -10.843 -22.152 5.341 552 HD13 LEU 75 HD13 LEU 75 -10.181 -20.815 6.271 553 HD21 LEU 75 HD21 LEU 75 -13.091 -22.631 5.942 554 HD22 LEU 75 HD22 LEU 75 -14.004 -21.448 6.880 555 HD23 LEU 75 HD23 LEU 75 -12.458 -22.048 7.481 556 H VAL 76 HN VAL 76 -14.785 -17.420 8.577 557 HA VAL 76 HA VAL 76 -12.873 -15.141 8.728 558 HB VAL 76 HB VAL 76 -15.877 -14.958 8.318 559 HG11 VAL 76 HG11 VAL 76 -15.449 -13.463 10.131 560 HG12 VAL 76 HG12 VAL 76 -15.461 -12.460 8.681 561 HG13 VAL 76 HG13 VAL 76 -13.928 -12.924 9.420 562 HG21 VAL 76 HG21 VAL 76 -13.663 -13.415 6.945 563 HG22 VAL 76 HG22 VAL 76 -15.322 -13.656 6.405 564 HG23 VAL 76 HG23 VAL 76 -14.183 -14.995 6.364 565 H ASP 77 HN ASP 77 -12.383 -14.801 10.877 566 HA ASP 77 HA ASP 77 -12.447 -15.163 13.203 567 HB2 ASP 77 HB2 ASP 77 -14.295 -13.563 13.082 568 HB3 ASP 77 HB1 ASP 77 -15.416 -14.849 12.638 569 H LYS 78 HN LYS 78 -13.062 -17.400 11.087 570 HA LYS 78 HA LYS 78 -14.144 -19.448 12.983 571 HB2 LYS 78 HB2 LYS 78 -14.227 -19.075 10.004 572 HB3 LYS 78 HB1 LYS 78 -14.221 -20.726 10.613 573 HG2 LYS 78 HG2 LYS 78 -16.215 -20.314 11.931 574 HG3 LYS 78 HG1 LYS 78 -16.164 -18.596 11.550 575 HD2 LYS 78 HD2 LYS 78 -17.792 -19.469 10.067 576 HD3 LYS 78 HD1 LYS 78 -16.344 -19.312 9.077 577 HE2 LYS 78 HE2 LYS 78 -15.868 -21.668 9.264 578 HE3 LYS 78 HE1 LYS 78 -17.122 -21.883 10.485 579 HZ1 LYS 78 HZ1 LYS 78 -17.930 -22.605 8.360 580 HZ2 LYS 78 HZ2 LYS 78 -17.531 -21.116 7.647 581 HZ3 LYS 78 HZ3 LYS 78 -18.763 -21.199 8.814 582 HA PRO 79 HA PRO 79 -10.102 -21.241 13.167 583 HB2 PRO 79 HB2 PRO 79 -10.812 -23.989 12.817 584 HB3 PRO 79 HB1 PRO 79 -10.604 -23.135 14.350 585 HG2 PRO 79 HG2 PRO 79 -13.101 -23.971 13.041 586 HG3 PRO 79 HG1 PRO 79 -12.858 -23.406 14.700 587 HD2 PRO 79 HD2 PRO 79 -14.082 -21.936 12.599 588 HD3 PRO 79 HD1 PRO 79 -13.552 -21.292 14.166 589 H PHE 80 HN PHE 80 -8.501 -21.574 11.627 590 HA PHE 80 HA PHE 80 -9.118 -23.009 9.122 591 HB2 PHE 80 HB2 PHE 80 -8.281 -21.169 7.683 592 HB3 PHE 80 HB1 PHE 80 -9.763 -20.715 8.536 593 HD1 PHE 80 HD1 PHE 80 -6.024 -20.426 8.659 594 HD2 PHE 80 HD2 PHE 80 -9.787 -18.834 9.964 595 HE1 PHE 80 HE1 PHE 80 -4.861 -18.490 9.677 596 HE2 PHE 80 HE2 PHE 80 -8.624 -16.902 10.984 597 HZ PHE 80 HZ PHE 80 -6.155 -16.730 10.839 598 H ALA 81 HN ALA 81 -7.220 -23.705 8.036 599 HA ALA 81 HA ALA 81 -4.777 -23.630 9.736 600 HB1 ALA 81 HB1 ALA 81 -5.065 -25.212 7.181 601 HB2 ALA 81 HB2 ALA 81 -5.809 -25.787 8.674 602 HB3 ALA 81 HB3 ALA 81 -4.063 -25.557 8.591 603 H ALA 82 HN ALA 82 -3.399 -22.007 9.265 604 HA ALA 82 HA ALA 82 -3.536 -20.594 6.716 605 HB1 ALA 82 HB1 ALA 82 -1.321 -20.213 8.727 606 HB2 ALA 82 HB2 ALA 82 -2.952 -19.667 9.099 607 HB3 ALA 82 HB3 ALA 82 -2.108 -19.016 7.697 608 H LYS 83 HN LYS 83 -2.714 -21.666 4.983 609 HA LYS 83 HA LYS 83 -0.238 -23.269 5.255 610 HB2 LYS 83 HB2 LYS 83 -1.991 -24.296 3.948 611 HB3 LYS 83 HB1 LYS 83 -2.171 -22.852 2.962 612 HG2 LYS 83 HG2 LYS 83 -0.145 -23.192 1.834 613 HG3 LYS 83 HG1 LYS 83 0.489 -24.253 3.094 614 HD2 LYS 83 HD2 LYS 83 -0.952 -26.042 2.450 615 HD3 LYS 83 HD1 LYS 83 -1.927 -24.984 1.431 616 HE2 LYS 83 HE2 LYS 83 1.013 -25.439 0.901 617 HE3 LYS 83 HE1 LYS 83 -0.230 -26.492 0.226 618 HZ1 LYS 83 HZ1 LYS 83 -0.923 -24.914 -1.192 619 HZ2 LYS 83 HZ2 LYS 83 0.629 -24.265 -0.956 620 HZ3 LYS 83 HZ3 LYS 83 -0.695 -23.648 -0.088 621 H GLU 84 HN GLU 84 1.522 -22.845 3.672 622 HA GLU 84 HA GLU 84 2.750 -20.442 3.869 623 HB2 GLU 84 HB2 GLU 84 2.684 -22.300 1.491 624 HB3 GLU 84 HB1 GLU 84 3.761 -20.907 1.563 625 HG2 GLU 84 HG2 GLU 84 4.831 -21.750 3.560 626 HG3 GLU 84 HG1 GLU 84 3.648 -23.051 3.700 627 H ASP 85 HN ASP 85 0.691 -21.124 0.978 628 HA ASP 85 HA ASP 85 0.218 -18.158 0.790 629 HB2 ASP 85 HB2 ASP 85 0.935 -20.221 -1.274 630 HB3 ASP 85 HB1 ASP 85 -0.076 -18.865 -1.757 631 H GLN 86 HN GLN 86 -1.296 -20.992 1.558 632 HA GLN 86 HA GLN 86 -3.905 -20.035 0.397 633 HB2 GLN 86 HB2 GLN 86 -3.214 -22.931 0.902 634 HB3 GLN 86 HB1 GLN 86 -4.589 -22.285 0.016 635 HG2 GLN 86 HG2 GLN 86 -1.747 -21.772 -0.882 636 HG3 GLN 86 HG1 GLN 86 -2.632 -23.212 -1.355 637 HE21 GLN 86 HE21 GLN 86 -2.486 -22.309 -3.624 638 HE22 GLN 86 HE22 GLN 86 -3.608 -21.131 -4.106 639 H LEU 87 HN LEU 87 -5.787 -21.017 1.554 640 HA LEU 87 HA LEU 87 -5.321 -21.366 4.477 641 HB2 LEU 87 HB2 LEU 87 -7.284 -19.544 3.062 642 HB3 LEU 87 HB1 LEU 87 -7.659 -20.184 4.660 643 HG LEU 87 HG LEU 87 -4.970 -18.907 4.207 644 HD11 LEU 87 HD11 LEU 87 -6.131 -16.750 5.082 645 HD12 LEU 87 HD12 LEU 87 -7.610 -17.480 4.458 646 HD13 LEU 87 HD13 LEU 87 -6.269 -17.139 3.368 647 HD21 LEU 87 HD21 LEU 87 -6.732 -18.677 6.633 648 HD22 LEU 87 HD22 LEU 87 -4.976 -18.622 6.526 649 HD23 LEU 87 HD23 LEU 87 -5.821 -20.154 6.343 650 H LEU 88 HN LEU 88 -6.435 -23.110 5.281 651 HA LEU 88 HA LEU 88 -8.495 -24.405 3.520 652 HB2 LEU 88 HB2 LEU 88 -6.106 -25.651 4.907 653 HB3 LEU 88 HB1 LEU 88 -7.442 -26.596 4.261 654 HG LEU 88 HG LEU 88 -6.097 -24.594 2.456 655 HD11 LEU 88 HD11 LEU 88 -4.532 -26.437 1.737 656 HD12 LEU 88 HD12 LEU 88 -4.988 -27.304 3.204 657 HD13 LEU 88 HD13 LEU 88 -4.176 -25.742 3.319 658 HD21 LEU 88 HD21 LEU 88 -7.344 -27.323 2.038 659 HD22 LEU 88 HD22 LEU 88 -6.667 -26.311 0.762 660 HD23 LEU 88 HD23 LEU 88 -8.087 -25.769 1.657 661 H CYS 89 HN CYS 89 -9.779 -26.059 4.798 662 HA CYS 89 HA CYS 89 -10.505 -24.894 7.407 663 HB2 CYS 89 HB2 CYS 89 -11.680 -27.389 6.156 664 HB3 CYS 89 HB1 CYS 89 -12.425 -26.304 7.326 665 H THR 90 HN THR 90 -10.030 -25.901 9.384 666 HA THR 90 HA THR 90 -7.818 -27.587 9.639 667 HB THR 90 HB THR 90 -8.536 -26.690 11.677 668 HG1 THR 90 HG1 THR 90 -8.159 -29.013 11.779 669 HG21 THR 90 HG21 THR 90 -11.293 -27.598 10.842 670 HG22 THR 90 HG22 THR 90 -10.723 -25.947 11.084 671 HG23 THR 90 HG23 THR 90 -10.937 -27.018 12.469 672 H ASP 91 HN ASP 91 -10.888 -28.351 8.412 673 HA ASP 91 HA ASP 91 -10.718 -31.241 8.961 674 HB2 ASP 91 HB2 ASP 91 -12.584 -29.583 7.252 675 HB3 ASP 91 HB1 ASP 91 -12.718 -31.330 7.432 676 H CYS 92 HN CYS 92 -10.421 -29.051 6.161 677 HA CYS 92 HA CYS 92 -9.577 -31.187 4.372 678 HB2 CYS 92 HB2 CYS 92 -9.008 -28.264 3.885 679 HB3 CYS 92 HB1 CYS 92 -9.406 -29.522 2.717 680 H TYR 93 HN TYR 93 -7.969 -28.632 6.239 681 HA TYR 93 HA TYR 93 -5.328 -29.026 5.295 682 HB2 TYR 93 HB2 TYR 93 -6.183 -27.212 6.857 683 HB3 TYR 93 HB1 TYR 93 -6.078 -28.395 8.155 684 HD1 TYR 93 HD2 TYR 93 -4.034 -26.836 5.423 685 HD2 TYR 93 HD1 TYR 93 -4.042 -28.772 9.257 686 HE1 TYR 93 HE2 TYR 93 -1.601 -26.412 5.645 687 HE2 TYR 93 HE1 TYR 93 -1.612 -28.357 9.476 688 HH TYR 93 HH TYR 93 0.023 -26.252 8.087 689 H SER 94 HN SER 94 -6.984 -30.516 8.062 690 HA SER 94 HA SER 94 -4.815 -32.232 8.810 691 HB2 SER 94 HB2 SER 94 -7.768 -32.784 9.207 692 HB3 SER 94 HB1 SER 94 -6.430 -33.408 10.167 693 HG SER 94 HG SER 94 -6.437 -30.683 9.952 694 H ASN 95 HN ASN 95 -7.033 -32.339 6.187 695 HA ASN 95 HA ASN 95 -6.948 -35.222 5.787 696 HB2 ASN 95 HB2 ASN 95 -8.751 -33.602 4.940 697 HB3 ASN 95 HB1 ASN 95 -7.597 -33.148 3.686 698 HD21 ASN 95 HD21 ASN 95 -6.508 -35.348 2.695 699 HD22 ASN 95 HD22 ASN 95 -7.649 -36.518 2.238 700 H GLU 96 HN GLU 96 -5.106 -32.436 4.626 701 HA GLU 96 HA GLU 96 -3.425 -34.254 2.938 702 HB2 GLU 96 HB2 GLU 96 -2.462 -31.942 2.197 703 HB3 GLU 96 HB1 GLU 96 -4.061 -32.412 1.624 704 HG2 GLU 96 HG2 GLU 96 -5.166 -30.995 3.154 705 HG3 GLU 96 HG1 GLU 96 -3.736 -30.826 4.171 706 H TYR 97 HN TYR 97 -3.245 -31.870 5.564 707 HA TYR 97 HA TYR 97 -0.474 -31.718 5.920 708 HB2 TYR 97 HB2 TYR 97 -1.992 -30.374 7.257 709 HB3 TYR 97 HB1 TYR 97 -2.666 -31.818 8.009 710 HD1 TYR 97 HD2 TYR 97 0.553 -29.969 7.541 711 HD2 TYR 97 HD1 TYR 97 -1.716 -32.676 9.987 712 HE1 TYR 97 HE2 TYR 97 2.325 -29.888 9.273 713 HE2 TYR 97 HE1 TYR 97 0.058 -32.594 11.720 714 HH TYR 97 HH TYR 97 2.004 -31.720 12.318 715 H SER 98 HN SER 98 -2.693 -34.305 6.868 716 HA SER 98 HA SER 98 -0.993 -35.802 8.547 717 HB2 SER 98 HB2 SER 98 -3.076 -36.714 6.548 718 HB3 SER 98 HB1 SER 98 -2.282 -37.805 7.681 719 HG SER 98 HG SER 98 -2.998 -36.052 9.267 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -12.049 27.948 -2.856 2 H2 MET 1 HT2 MET 1 -12.761 28.635 -4.236 3 H3 MET 1 HT3 MET 1 -13.736 27.949 -3.027 4 HA MET 1 HA MET 1 -13.778 30.361 -2.901 5 HB2 MET 1 HB2 MET 1 -13.742 28.719 -0.849 6 HB3 MET 1 HB1 MET 1 -12.138 29.387 -0.560 7 HG2 MET 1 HG2 MET 1 -13.304 31.704 -0.779 8 HG3 MET 1 HG1 MET 1 -14.801 30.802 -0.537 9 HE1 MET 1 HE1 MET 1 -15.779 30.671 1.851 10 HE2 MET 1 HE2 MET 1 -15.276 32.289 1.370 11 HE3 MET 1 HE3 MET 1 -14.953 31.725 3.007 12 H THR 2 HN THR 2 -11.565 31.278 -0.935 13 HA THR 2 HA THR 2 -9.884 32.496 -2.997 14 HB THR 2 HB THR 2 -10.619 33.774 -0.999 15 HG1 THR 2 HG1 THR 2 -8.718 34.414 -1.992 16 HG21 THR 2 HG21 THR 2 -9.864 33.241 1.185 17 HG22 THR 2 HG22 THR 2 -8.686 32.078 0.578 18 HG23 THR 2 HG23 THR 2 -10.409 31.707 0.507 19 H GLU 3 HN GLU 3 -9.449 30.192 -0.333 20 HA GLU 3 HA GLU 3 -6.626 29.772 -0.859 21 HB2 GLU 3 HB2 GLU 3 -6.808 27.976 0.747 22 HB3 GLU 3 HB1 GLU 3 -7.781 29.319 1.341 23 HG2 GLU 3 HG2 GLU 3 -9.761 28.180 0.140 24 HG3 GLU 3 HG1 GLU 3 -8.722 26.759 0.039 25 H ARG 4 HN ARG 4 -6.148 27.184 -1.113 26 HA ARG 4 HA ARG 4 -7.181 26.569 -3.818 27 HB2 ARG 4 HB2 ARG 4 -4.949 25.348 -2.179 28 HB3 ARG 4 HB1 ARG 4 -5.313 24.960 -3.855 29 HG2 ARG 4 HG2 ARG 4 -4.784 27.811 -2.985 30 HG3 ARG 4 HG1 ARG 4 -3.462 26.725 -3.397 31 HD2 ARG 4 HD2 ARG 4 -4.745 26.294 -5.607 32 HD3 ARG 4 HD1 ARG 4 -5.681 27.726 -5.180 33 HE ARG 4 HE ARG 4 -3.057 28.566 -4.935 34 HH11 ARG 4 HH21 ARG 4 -4.962 26.996 -7.340 35 HH12 ARG 4 HH22 ARG 4 -4.091 27.683 -8.670 36 HH21 ARG 4 HH11 ARG 4 -1.907 29.473 -6.657 37 HH22 ARG 4 HH12 ARG 4 -2.363 29.087 -8.283 38 H PHE 5 HN PHE 5 -8.369 24.757 -4.262 39 HA PHE 5 HA PHE 5 -9.095 22.965 -1.969 40 HB2 PHE 5 HB2 PHE 5 -10.831 24.660 -3.020 41 HB3 PHE 5 HB1 PHE 5 -10.936 23.465 -4.303 42 HD1 PHE 5 HD1 PHE 5 -11.142 23.893 -0.613 43 HD2 PHE 5 HD2 PHE 5 -12.243 21.509 -4.002 44 HE1 PHE 5 HE1 PHE 5 -12.623 22.533 0.830 45 HE2 PHE 5 HE2 PHE 5 -13.735 20.145 -2.558 46 HZ PHE 5 HZ PHE 5 -13.917 20.645 -0.145 47 H ASP 6 HN ASP 6 -7.045 21.960 -3.048 48 HA ASP 6 HA ASP 6 -8.016 19.904 -4.980 49 HB2 ASP 6 HB2 ASP 6 -5.242 21.061 -5.209 50 HB3 ASP 6 HB1 ASP 6 -6.136 20.094 -6.384 51 H CYS 7 HN CYS 7 -6.945 17.894 -4.786 52 HA CYS 7 HA CYS 7 -6.187 17.190 -2.141 53 HB2 CYS 7 HB2 CYS 7 -7.006 15.480 -3.548 54 HB3 CYS 7 HB1 CYS 7 -5.858 15.854 -4.814 55 H HIS 8 HN HIS 8 -4.416 18.254 -1.292 56 HA HIS 8 HA HIS 8 -2.211 19.322 -2.567 57 HB2 HIS 8 HB2 HIS 8 -2.790 19.415 -0.111 58 HB3 HIS 8 HB1 HIS 8 -2.023 17.855 0.067 59 HD2 HIS 8 HD2 HIS 8 -1.009 21.590 -0.486 60 HE1 HIS 8 HE1 HIS 8 2.541 19.316 -0.260 61 HE2 HIS 8 HE2 HIS 8 1.597 21.672 -0.342 62 H HIS 9 HN HIS 9 -2.902 15.935 -2.117 63 HA HIS 9 HA HIS 9 -0.102 15.182 -2.676 64 HB2 HIS 9 HB2 HIS 9 -1.304 13.835 -1.076 65 HB3 HIS 9 HB1 HIS 9 -2.590 13.523 -2.220 66 HD2 HIS 9 HD2 HIS 9 -1.352 10.748 -1.500 67 HE1 HIS 9 HE1 HIS 9 1.382 11.179 -4.685 68 HE2 HIS 9 HE2 HIS 9 0.344 9.527 -3.061 69 H CYS 10 HN CYS 10 -3.196 14.191 -4.274 70 HA CYS 10 HA CYS 10 -1.743 13.654 -6.760 71 HB2 CYS 10 HB2 CYS 10 -4.739 13.820 -6.420 72 HB3 CYS 10 HB1 CYS 10 -3.845 12.925 -7.644 73 H ASN 11 HN ASN 11 -2.916 16.392 -5.299 74 HA ASN 11 HA ASN 11 -3.385 18.557 -6.001 75 HB2 ASN 11 HB2 ASN 11 -1.926 19.449 -7.603 76 HB3 ASN 11 HB1 ASN 11 -1.047 18.036 -7.030 77 HD21 ASN 11 HD21 ASN 11 -3.122 19.187 -9.717 78 HD22 ASN 11 HD22 ASN 11 -2.550 18.060 -10.850 79 H GLU 12 HN GLU 12 -5.162 16.260 -6.900 80 HA GLU 12 HA GLU 12 -6.348 17.456 -9.365 81 HB2 GLU 12 HB2 GLU 12 -7.633 15.431 -9.558 82 HB3 GLU 12 HB1 GLU 12 -5.982 14.946 -9.173 83 HG2 GLU 12 HG2 GLU 12 -6.716 14.927 -6.725 84 HG3 GLU 12 HG1 GLU 12 -8.364 15.049 -7.310 85 H SER 13 HN SER 13 -8.287 18.563 -9.264 86 HA SER 13 HA SER 13 -9.231 19.735 -6.916 87 HB2 SER 13 HB2 SER 13 -10.716 18.999 -9.443 88 HB3 SER 13 HB1 SER 13 -11.444 19.952 -8.153 89 HG SER 13 HG SER 13 -9.126 21.041 -8.566 90 H LEU 14 HN LEU 14 -10.521 19.030 -5.203 91 HA LEU 14 HA LEU 14 -10.953 16.250 -4.770 92 HB2 LEU 14 HB2 LEU 14 -12.343 18.670 -3.617 93 HB3 LEU 14 HB1 LEU 14 -12.676 17.047 -3.074 94 HG LEU 14 HG LEU 14 -11.067 18.151 -1.620 95 HD11 LEU 14 HD11 LEU 14 -9.394 16.156 -3.083 96 HD12 LEU 14 HD12 LEU 14 -10.937 15.619 -2.415 97 HD13 LEU 14 HD13 LEU 14 -9.712 16.315 -1.358 98 HD21 LEU 14 HD21 LEU 14 -10.156 19.568 -3.560 99 HD22 LEU 14 HD22 LEU 14 -9.120 18.178 -3.899 100 HD23 LEU 14 HD23 LEU 14 -9.011 19.002 -2.346 101 H PHE 15 HN PHE 15 -12.526 14.920 -5.477 102 HA PHE 15 HA PHE 15 -14.227 15.871 -7.621 103 HB2 PHE 15 HB2 PHE 15 -14.821 13.470 -7.820 104 HB3 PHE 15 HB1 PHE 15 -13.085 13.749 -7.804 105 HD1 PHE 15 HD2 PHE 15 -11.805 13.445 -5.562 106 HD2 PHE 15 HD1 PHE 15 -15.844 12.105 -6.196 107 HE1 PHE 15 HE2 PHE 15 -11.626 11.959 -3.594 108 HE2 PHE 15 HE1 PHE 15 -15.650 10.604 -4.232 109 HZ PHE 15 HZ PHE 15 -13.542 10.533 -2.931 110 H GLY 16 HN GLY 16 -15.959 17.089 -6.873 111 HA2 GLY 16 HA2 GLY 16 -18.064 17.489 -5.902 112 HA3 GLY 16 HA1 GLY 16 -18.350 15.860 -6.485 113 H LYS 17 HN LYS 17 -15.991 15.842 -3.953 114 HA LYS 17 HA LYS 17 -18.200 15.269 -1.975 115 HB2 LYS 17 HB2 LYS 17 -17.417 13.173 -2.972 116 HB3 LYS 17 HB1 LYS 17 -15.761 13.565 -2.506 117 HG2 LYS 17 HG2 LYS 17 -16.215 13.346 -0.204 118 HG3 LYS 17 HG1 LYS 17 -17.957 13.497 -0.438 119 HD2 LYS 17 HD2 LYS 17 -18.041 11.314 -1.528 120 HD3 LYS 17 HD1 LYS 17 -16.285 11.169 -1.432 121 HE2 LYS 17 HE2 LYS 17 -17.212 9.898 0.397 122 HE3 LYS 17 HE1 LYS 17 -16.495 11.358 1.078 123 HZ1 LYS 17 HZ1 LYS 17 -19.364 10.845 0.536 124 HZ2 LYS 17 HZ2 LYS 17 -18.748 12.376 0.941 125 HZ3 LYS 17 HZ3 LYS 17 -18.627 11.088 2.044 126 H LYS 18 HN LYS 18 -17.610 15.225 0.232 127 HA LYS 18 HA LYS 18 -16.115 17.403 1.146 128 HB2 LYS 18 HB2 LYS 18 -16.094 16.249 3.360 129 HB3 LYS 18 HB1 LYS 18 -17.693 16.279 2.613 130 HG2 LYS 18 HG2 LYS 18 -17.337 14.014 1.748 131 HG3 LYS 18 HG1 LYS 18 -15.738 13.978 2.481 132 HD2 LYS 18 HD2 LYS 18 -16.927 14.468 4.709 133 HD3 LYS 18 HD1 LYS 18 -18.420 14.052 3.868 134 HE2 LYS 18 HE2 LYS 18 -17.628 12.046 4.940 135 HE3 LYS 18 HE1 LYS 18 -17.332 11.865 3.211 136 HZ1 LYS 18 HZ1 LYS 18 -15.123 13.150 4.329 137 HZ2 LYS 18 HZ2 LYS 18 -15.196 11.594 3.650 138 HZ3 LYS 18 HZ3 LYS 18 -15.474 11.813 5.312 139 H TYR 19 HN TYR 19 -14.056 17.140 2.590 140 HA TYR 19 HA TYR 19 -12.216 15.076 1.476 141 HB2 TYR 19 HB2 TYR 19 -10.587 16.756 0.838 142 HB3 TYR 19 HB1 TYR 19 -12.126 17.107 0.052 143 HD1 TYR 19 HD1 TYR 19 -13.743 18.738 1.282 144 HD2 TYR 19 HD2 TYR 19 -9.549 18.418 2.135 145 HE1 TYR 19 HE1 TYR 19 -13.796 20.967 2.357 146 HE2 TYR 19 HE2 TYR 19 -9.600 20.658 3.207 147 HH TYR 19 HH TYR 19 -10.876 22.615 3.312 148 H ILE 20 HN ILE 20 -10.200 14.943 2.642 149 HA ILE 20 HA ILE 20 -10.494 15.720 5.521 150 HB ILE 20 HB ILE 20 -8.896 13.501 4.211 151 HG12 ILE 20 HG12 ILE 20 -11.249 13.103 6.059 152 HG13 ILE 20 HG11 ILE 20 -11.534 13.411 4.350 153 HG21 ILE 20 HG21 ILE 20 -9.260 14.374 7.082 154 HG22 ILE 20 HG22 ILE 20 -7.755 14.153 6.189 155 HG23 ILE 20 HG23 ILE 20 -8.718 12.751 6.655 156 HD11 ILE 20 HD11 ILE 20 -10.175 11.496 3.720 157 HD12 ILE 20 HD12 ILE 20 -11.397 10.974 4.878 158 HD13 ILE 20 HD13 ILE 20 -9.731 11.214 5.403 159 H LEU 21 HN LEU 21 -8.858 16.948 6.439 160 HA LEU 21 HA LEU 21 -6.694 17.870 4.642 161 HB2 LEU 21 HB2 LEU 21 -7.367 18.600 7.511 162 HB3 LEU 21 HB1 LEU 21 -5.966 19.223 6.628 163 HG LEU 21 HG LEU 21 -7.946 20.767 6.614 164 HD11 LEU 21 HD11 LEU 21 -6.137 20.479 4.716 165 HD12 LEU 21 HD12 LEU 21 -7.556 21.480 4.434 166 HD13 LEU 21 HD13 LEU 21 -7.495 19.848 3.788 167 HD21 LEU 21 HD21 LEU 21 -9.954 20.213 5.515 168 HD22 LEU 21 HD22 LEU 21 -9.573 18.748 6.417 169 HD23 LEU 21 HD23 LEU 21 -9.233 18.834 4.687 170 H ARG 22 HN ARG 22 -5.098 16.457 4.443 171 HA ARG 22 HA ARG 22 -4.285 14.819 6.787 172 HB2 ARG 22 HB2 ARG 22 -4.856 13.487 4.830 173 HB3 ARG 22 HB1 ARG 22 -3.832 14.491 3.829 174 HG2 ARG 22 HG2 ARG 22 -2.808 12.304 4.435 175 HG3 ARG 22 HG1 ARG 22 -1.862 13.709 4.896 176 HD2 ARG 22 HD2 ARG 22 -2.801 13.432 7.222 177 HD3 ARG 22 HD1 ARG 22 -3.680 12.026 6.650 178 HE ARG 22 HE ARG 22 -1.024 11.501 6.027 179 HH11 ARG 22 HH21 ARG 22 -2.812 12.421 8.827 180 HH12 ARG 22 HH22 ARG 22 -1.760 11.601 9.932 181 HH21 ARG 22 HH11 ARG 22 0.361 10.426 7.453 182 HH22 ARG 22 HH12 ARG 22 0.038 10.474 9.154 183 H GLU 23 HN GLU 23 -2.221 15.089 7.629 184 HA GLU 23 HA GLU 23 -0.212 16.244 8.038 185 HB2 GLU 23 HB2 GLU 23 -0.174 15.901 5.028 186 HB3 GLU 23 HB1 GLU 23 1.160 16.654 5.900 187 HG2 GLU 23 HG2 GLU 23 1.313 14.609 7.335 188 HG3 GLU 23 HG1 GLU 23 0.078 13.855 6.326 189 H GLU 24 HN GLU 24 -2.641 17.738 7.857 190 HA GLU 24 HA GLU 24 -3.373 19.955 7.765 191 HB2 GLU 24 HB2 GLU 24 -0.486 20.735 7.291 192 HB3 GLU 24 HB1 GLU 24 -1.757 21.681 8.061 193 HG2 GLU 24 HG2 GLU 24 -0.484 19.155 9.153 194 HG3 GLU 24 HG1 GLU 24 -0.286 20.790 9.784 195 H SER 25 HN SER 25 -3.219 18.318 5.353 196 HA SER 25 HA SER 25 -3.354 20.521 3.409 197 HB2 SER 25 HB2 SER 25 -1.851 18.063 2.559 198 HB3 SER 25 HB1 SER 25 -1.747 19.701 1.925 199 HG SER 25 HG SER 25 -0.658 18.607 4.277 200 HA PRO 26 HA PRO 26 -6.969 18.130 2.329 201 HB2 PRO 26 HB2 PRO 26 -7.127 19.016 -0.386 202 HB3 PRO 26 HB1 PRO 26 -7.984 19.699 0.997 203 HG2 PRO 26 HG2 PRO 26 -5.667 20.788 -0.448 204 HG3 PRO 26 HG1 PRO 26 -6.727 21.594 0.714 205 HD2 PRO 26 HD2 PRO 26 -4.060 20.755 1.201 206 HD3 PRO 26 HD1 PRO 26 -5.237 21.277 2.426 207 H TYR 27 HN TYR 27 -6.958 16.002 1.815 208 HA TYR 27 HA TYR 27 -5.283 15.036 -0.489 209 HB2 TYR 27 HB2 TYR 27 -5.770 13.942 2.280 210 HB3 TYR 27 HB1 TYR 27 -5.619 12.786 0.973 211 HD1 TYR 27 HD2 TYR 27 -3.541 15.774 0.577 212 HD2 TYR 27 HD1 TYR 27 -3.766 11.923 2.349 213 HE1 TYR 27 HE2 TYR 27 -1.128 15.827 0.838 214 HE2 TYR 27 HE1 TYR 27 -1.322 11.950 2.651 215 HH TYR 27 HH TYR 27 0.514 14.358 2.743 216 H CYS 28 HN CYS 28 -6.452 13.705 -1.939 217 HA CYS 28 HA CYS 28 -9.318 13.944 -1.859 218 HB2 CYS 28 HB2 CYS 28 -9.327 12.328 -3.719 219 HB3 CYS 28 HB1 CYS 28 -8.104 13.556 -3.980 220 H VAL 29 HN VAL 29 -10.858 12.318 -1.258 221 HA VAL 29 HA VAL 29 -10.519 10.942 1.099 222 HB VAL 29 HB VAL 29 -12.083 9.753 -1.202 223 HG11 VAL 29 HG11 VAL 29 -12.647 9.950 1.764 224 HG12 VAL 29 HG12 VAL 29 -11.952 8.536 0.971 225 HG13 VAL 29 HG13 VAL 29 -13.589 9.059 0.569 226 HG21 VAL 29 HG21 VAL 29 -12.645 12.064 -1.286 227 HG22 VAL 29 HG22 VAL 29 -12.626 12.213 0.472 228 HG23 VAL 29 HG23 VAL 29 -13.920 11.317 -0.325 229 H VAL 30 HN VAL 30 -10.133 9.473 -2.114 230 HA VAL 30 HA VAL 30 -9.272 6.938 -1.425 231 HB VAL 30 HB VAL 30 -7.939 8.551 -3.603 232 HG11 VAL 30 HG11 VAL 30 -7.115 6.278 -3.269 233 HG12 VAL 30 HG12 VAL 30 -8.043 6.359 -4.766 234 HG13 VAL 30 HG13 VAL 30 -8.762 5.650 -3.320 235 HG21 VAL 30 HG21 VAL 30 -10.738 7.412 -3.452 236 HG22 VAL 30 HG22 VAL 30 -9.935 7.743 -4.987 237 HG23 VAL 30 HG23 VAL 30 -10.258 9.060 -3.860 238 H CYS 31 HN CYS 31 -7.099 9.779 -1.862 239 HA CYS 31 HA CYS 31 -4.682 8.554 -1.245 240 HB2 CYS 31 HB2 CYS 31 -5.743 11.306 -0.833 241 HB3 CYS 31 HB1 CYS 31 -4.282 10.885 0.058 242 H PHE 32 HN PHE 32 -6.578 10.310 1.228 243 HA PHE 32 HA PHE 32 -5.218 9.403 3.476 244 HB2 PHE 32 HB2 PHE 32 -7.147 11.046 3.439 245 HB3 PHE 32 HB1 PHE 32 -8.235 9.665 3.349 246 HD1 PHE 32 HD1 PHE 32 -8.181 7.922 5.165 247 HD2 PHE 32 HD2 PHE 32 -6.170 11.711 5.546 248 HE1 PHE 32 HE1 PHE 32 -8.065 7.618 7.624 249 HE2 PHE 32 HE2 PHE 32 -6.061 11.398 8.001 250 HZ PHE 32 HZ PHE 32 -7.006 9.356 9.040 251 H GLU 33 HN GLU 33 -7.905 7.688 1.828 252 HA GLU 33 HA GLU 33 -7.850 5.470 3.665 253 HB2 GLU 33 HB2 GLU 33 -8.938 5.710 0.857 254 HB3 GLU 33 HB1 GLU 33 -9.251 4.358 1.946 255 HG2 GLU 33 HG2 GLU 33 -9.804 7.201 2.794 256 HG3 GLU 33 HG1 GLU 33 -10.984 6.274 1.884 257 H THR 34 HN THR 34 -6.926 5.507 0.201 258 HA THR 34 HA THR 34 -5.646 3.034 0.151 259 HB THR 34 HB THR 34 -6.120 4.825 -1.728 260 HG1 THR 34 HG1 THR 34 -3.792 3.405 -2.210 261 HG21 THR 34 HG21 THR 34 -4.339 6.370 -0.781 262 HG22 THR 34 HG22 THR 34 -4.223 6.035 -2.503 263 HG23 THR 34 HG23 THR 34 -3.148 5.216 -1.370 264 H LEU 35 HN LEU 35 -4.143 6.164 0.997 265 HA LEU 35 HA LEU 35 -1.494 5.241 1.272 266 HB2 LEU 35 HB2 LEU 35 -2.952 7.350 2.872 267 HB3 LEU 35 HB1 LEU 35 -1.213 7.102 2.912 268 HG LEU 35 HG LEU 35 -2.693 7.643 0.330 269 HD11 LEU 35 HD11 LEU 35 -1.441 9.593 2.274 270 HD12 LEU 35 HD12 LEU 35 -3.137 9.516 1.799 271 HD13 LEU 35 HD13 LEU 35 -1.915 10.000 0.627 272 HD21 LEU 35 HD21 LEU 35 -0.512 6.793 -0.117 273 HD22 LEU 35 HD22 LEU 35 0.203 7.691 1.221 274 HD23 LEU 35 HD23 LEU 35 -0.333 8.540 -0.225 275 H PHE 36 HN PHE 36 -3.856 5.610 3.940 276 HA PHE 36 HA PHE 36 -2.140 3.859 5.620 277 HB2 PHE 36 HB2 PHE 36 -4.647 5.178 6.616 278 HB3 PHE 36 HB1 PHE 36 -3.123 4.895 7.452 279 HD1 PHE 36 HD2 PHE 36 -1.158 5.949 5.487 280 HD2 PHE 36 HD1 PHE 36 -4.958 7.524 6.735 281 HE1 PHE 36 HE2 PHE 36 -0.419 8.224 4.867 282 HE2 PHE 36 HE1 PHE 36 -4.205 9.805 6.108 283 HZ PHE 36 HZ PHE 36 -1.943 10.144 5.164 284 H ALA 37 HN ALA 37 -4.705 3.358 3.553 285 HA ALA 37 HA ALA 37 -6.467 1.713 5.048 286 HB1 ALA 37 HB1 ALA 37 -6.673 0.481 2.712 287 HB2 ALA 37 HB2 ALA 37 -5.678 1.824 2.151 288 HB3 ALA 37 HB3 ALA 37 -7.248 2.138 2.888 289 H ASN 38 HN ASN 38 -6.541 -0.662 5.129 290 HA ASN 38 HA ASN 38 -3.912 -1.782 5.758 291 HB2 ASN 38 HB2 ASN 38 -6.723 -2.904 5.851 292 HB3 ASN 38 HB1 ASN 38 -5.294 -3.816 6.319 293 HD21 ASN 38 HD21 ASN 38 -7.693 -2.475 7.879 294 HD22 ASN 38 HD22 ASN 38 -6.904 -1.689 9.160 295 H THR 39 HN THR 39 -3.044 -3.703 4.717 296 HA THR 39 HA THR 39 -3.739 -3.827 1.832 297 HB THR 39 HB THR 39 -1.507 -5.338 3.204 298 HG1 THR 39 HG1 THR 39 -1.046 -3.304 3.777 299 HG21 THR 39 HG21 THR 39 -0.470 -5.130 0.980 300 HG22 THR 39 HG22 THR 39 -1.862 -4.209 0.411 301 HG23 THR 39 HG23 THR 39 -2.050 -5.903 0.863 302 H CYS 40 HN CYS 40 -4.695 -5.595 0.892 303 HA CYS 40 HA CYS 40 -5.631 -7.767 2.683 304 HB2 CYS 40 HB2 CYS 40 -7.336 -6.973 1.226 305 HB3 CYS 40 HB1 CYS 40 -6.263 -6.965 -0.168 306 H GLU 41 HN GLU 41 -4.002 -9.162 3.039 307 HA GLU 41 HA GLU 41 -1.791 -9.784 1.505 308 HB2 GLU 41 HB2 GLU 41 -3.408 -11.792 3.091 309 HB3 GLU 41 HB1 GLU 41 -1.695 -11.896 2.697 310 HG2 GLU 41 HG2 GLU 41 -1.234 -9.881 4.008 311 HG3 GLU 41 HG1 GLU 41 -2.949 -9.676 4.347 312 H GLU 42 HN GLU 42 -5.080 -10.580 0.760 313 HA GLU 42 HA GLU 42 -4.318 -12.732 -1.120 314 HB2 GLU 42 HB2 GLU 42 -6.535 -12.565 0.266 315 HB3 GLU 42 HB1 GLU 42 -7.056 -11.464 -1.006 316 HG2 GLU 42 HG2 GLU 42 -6.038 -14.281 -1.466 317 HG3 GLU 42 HG1 GLU 42 -7.736 -13.808 -1.462 318 H CYS 43 HN CYS 43 -6.073 -9.617 -1.488 319 HA CYS 43 HA CYS 43 -5.568 -9.551 -4.350 320 HB2 CYS 43 HB2 CYS 43 -6.451 -7.307 -2.508 321 HB3 CYS 43 HB1 CYS 43 -6.591 -7.331 -4.265 322 H GLY 44 HN GLY 44 -4.224 -7.883 -1.518 323 HA2 GLY 44 HA2 GLY 44 -1.925 -7.188 -1.325 324 HA3 GLY 44 HA1 GLY 44 -1.769 -7.281 -3.082 325 H LYS 45 HN LYS 45 -4.630 -5.876 -2.832 326 HA LYS 45 HA LYS 45 -3.502 -3.161 -3.115 327 HB2 LYS 45 HB2 LYS 45 -6.135 -4.466 -3.787 328 HB3 LYS 45 HB1 LYS 45 -6.019 -2.709 -3.731 329 HG2 LYS 45 HG2 LYS 45 -5.624 -3.651 -6.020 330 HG3 LYS 45 HG1 LYS 45 -4.256 -2.720 -5.407 331 HD2 LYS 45 HD2 LYS 45 -3.033 -4.699 -4.858 332 HD3 LYS 45 HD1 LYS 45 -4.451 -5.722 -5.092 333 HE2 LYS 45 HE2 LYS 45 -3.023 -4.146 -7.253 334 HE3 LYS 45 HE1 LYS 45 -2.951 -5.893 -7.030 335 HZ1 LYS 45 HZ1 LYS 45 -5.129 -4.234 -8.049 336 HZ2 LYS 45 HZ2 LYS 45 -5.553 -5.601 -7.134 337 HZ3 LYS 45 HZ3 LYS 45 -4.618 -5.773 -8.543 338 HA PRO 46 HA PRO 46 -4.739 -1.846 0.930 339 HB2 PRO 46 HB2 PRO 46 -5.964 0.646 0.095 340 HB3 PRO 46 HB1 PRO 46 -4.370 0.410 0.823 341 HG2 PRO 46 HG2 PRO 46 -4.998 1.044 -1.934 342 HG3 PRO 46 HG1 PRO 46 -3.398 0.859 -1.198 343 HD2 PRO 46 HD2 PRO 46 -4.695 -0.945 -3.014 344 HD3 PRO 46 HD1 PRO 46 -3.134 -1.169 -2.202 345 H ILE 47 HN ILE 47 -6.633 -1.889 2.243 346 HA ILE 47 HA ILE 47 -9.191 -2.456 0.793 347 HB ILE 47 HB ILE 47 -8.589 -2.979 3.716 348 HG12 ILE 47 HG12 ILE 47 -8.263 -4.856 1.348 349 HG13 ILE 47 HG11 ILE 47 -6.946 -4.175 2.295 350 HG21 ILE 47 HG21 ILE 47 -10.449 -4.669 3.345 351 HG22 ILE 47 HG22 ILE 47 -10.683 -3.965 1.752 352 HG23 ILE 47 HG23 ILE 47 -10.950 -2.989 3.191 353 HD11 ILE 47 HD11 ILE 47 -7.131 -6.128 3.462 354 HD12 ILE 47 HD12 ILE 47 -8.801 -6.387 2.962 355 HD13 ILE 47 HD13 ILE 47 -8.441 -5.283 4.287 356 H GLY 48 HN GLY 48 -10.207 -0.498 0.549 357 HA2 GLY 48 HA2 GLY 48 -9.963 1.700 2.366 358 HA3 GLY 48 HA1 GLY 48 -11.225 1.535 1.147 359 H CYS 49 HN CYS 49 -11.439 2.455 3.958 360 HA CYS 49 HA CYS 49 -12.623 0.461 5.615 361 HB2 CYS 49 HB2 CYS 49 -12.912 3.463 5.456 362 HB3 CYS 49 HB1 CYS 49 -13.834 2.517 6.626 363 HG CYS 49 HG CYS 49 -11.188 1.568 7.152 364 H ASP 50 HN ASP 50 -13.894 2.345 2.939 365 HA ASP 50 HA ASP 50 -16.683 1.798 3.447 366 HB2 ASP 50 HB2 ASP 50 -15.192 2.527 0.910 367 HB3 ASP 50 HB1 ASP 50 -16.948 2.400 1.010 368 H CYS 51 HN CYS 51 -14.145 -0.220 2.573 369 HA CYS 51 HA CYS 51 -15.900 -2.110 1.064 370 HB2 CYS 51 HB2 CYS 51 -13.572 -1.449 0.212 371 HB3 CYS 51 HB1 CYS 51 -12.927 -2.382 1.561 372 HG CYS 51 HG CYS 51 -14.610 -3.612 -0.770 373 H LYS 52 HN LYS 52 -15.765 -4.404 1.720 374 HA LYS 52 HA LYS 52 -16.190 -4.718 4.549 375 HB2 LYS 52 HB2 LYS 52 -16.450 -6.320 2.135 376 HB3 LYS 52 HB1 LYS 52 -15.681 -7.286 3.386 377 HG2 LYS 52 HG2 LYS 52 -18.044 -7.618 3.629 378 HG3 LYS 52 HG1 LYS 52 -17.550 -6.562 4.947 379 HD2 LYS 52 HD2 LYS 52 -19.403 -5.386 4.181 380 HD3 LYS 52 HD1 LYS 52 -18.149 -4.638 3.196 381 HE2 LYS 52 HE2 LYS 52 -18.674 -6.446 1.444 382 HE3 LYS 52 HE1 LYS 52 -20.121 -6.785 2.392 383 HZ1 LYS 52 HZ1 LYS 52 -19.709 -3.987 1.893 384 HZ2 LYS 52 HZ2 LYS 52 -21.103 -4.934 1.681 385 HZ3 LYS 52 HZ3 LYS 52 -19.911 -4.889 0.472 386 H ASP 53 HN ASP 53 -14.388 -4.254 5.808 387 HA ASP 53 HA ASP 53 -11.775 -5.471 5.070 388 HB2 ASP 53 HB2 ASP 53 -10.837 -4.015 6.794 389 HB3 ASP 53 HB1 ASP 53 -11.847 -3.073 5.698 390 H LEU 54 HN LEU 54 -11.812 -7.598 5.698 391 HA LEU 54 HA LEU 54 -12.950 -8.403 8.262 392 HB2 LEU 54 HB2 LEU 54 -12.715 -9.722 5.937 393 HB3 LEU 54 HB1 LEU 54 -11.166 -10.187 6.605 394 HG LEU 54 HG LEU 54 -13.828 -11.263 7.181 395 HD11 LEU 54 HD11 LEU 54 -12.008 -12.675 6.565 396 HD12 LEU 54 HD12 LEU 54 -12.460 -13.078 8.217 397 HD13 LEU 54 HD13 LEU 54 -11.023 -12.103 7.909 398 HD21 LEU 54 HD21 LEU 54 -14.005 -10.104 9.237 399 HD22 LEU 54 HD22 LEU 54 -12.275 -10.222 9.556 400 HD23 LEU 54 HD23 LEU 54 -13.291 -11.643 9.688 401 H SER 55 HN SER 55 -11.766 -8.250 10.145 402 HA SER 55 HA SER 55 -8.776 -8.078 9.939 403 HB2 SER 55 HB2 SER 55 -8.870 -6.952 12.111 404 HB3 SER 55 HB1 SER 55 -9.926 -6.131 10.966 405 HG SER 55 HG SER 55 -10.926 -8.208 12.576 406 H TYR 56 HN TYR 56 -7.641 -9.800 10.684 407 HA TYR 56 HA TYR 56 -8.728 -11.425 12.919 408 HB2 TYR 56 HB2 TYR 56 -9.384 -12.372 10.565 409 HB3 TYR 56 HB1 TYR 56 -7.690 -12.843 10.462 410 HD1 TYR 56 HD1 TYR 56 -6.722 -14.122 12.513 411 HD2 TYR 56 HD2 TYR 56 -10.913 -13.787 11.675 412 HE1 TYR 56 HE1 TYR 56 -7.159 -16.101 13.943 413 HE2 TYR 56 HE2 TYR 56 -11.355 -15.767 13.102 414 HH TYR 56 HH TYR 56 -9.439 -16.895 15.327 415 H LYS 57 HN LYS 57 -7.085 -11.555 14.353 416 HA LYS 57 HA LYS 57 -4.926 -11.618 15.240 417 HB2 LYS 57 HB2 LYS 57 -4.983 -13.789 13.980 418 HB3 LYS 57 HB1 LYS 57 -4.222 -12.960 12.624 419 HG2 LYS 57 HG2 LYS 57 -2.267 -12.449 13.961 420 HG3 LYS 57 HG1 LYS 57 -3.061 -13.031 15.422 421 HD2 LYS 57 HD2 LYS 57 -3.144 -15.303 14.497 422 HD3 LYS 57 HD1 LYS 57 -2.393 -14.736 13.006 423 HE2 LYS 57 HE2 LYS 57 -0.336 -14.262 14.092 424 HE3 LYS 57 HE1 LYS 57 -1.069 -14.348 15.694 425 HZ1 LYS 57 HZ1 LYS 57 -0.086 -16.389 15.552 426 HZ2 LYS 57 HZ2 LYS 57 -0.313 -16.520 13.873 427 HZ3 LYS 57 HZ3 LYS 57 -1.620 -16.762 14.930 428 H ASP 58 HN ASP 58 -5.245 -9.181 14.616 429 HA ASP 58 HA ASP 58 -4.313 -7.186 13.822 430 HB2 ASP 58 HB2 ASP 58 -2.512 -8.023 15.281 431 HB3 ASP 58 HB1 ASP 58 -1.810 -8.888 13.913 432 H ARG 59 HN ARG 59 -4.839 -9.561 11.720 433 HA ARG 59 HA ARG 59 -3.317 -8.261 9.476 434 HB2 ARG 59 HB2 ARG 59 -4.508 -11.035 9.710 435 HB3 ARG 59 HB1 ARG 59 -3.859 -10.365 8.217 436 HG2 ARG 59 HG2 ARG 59 -1.673 -10.186 9.140 437 HG3 ARG 59 HG1 ARG 59 -2.247 -10.480 10.766 438 HD2 ARG 59 HD2 ARG 59 -2.909 -12.748 10.126 439 HD3 ARG 59 HD1 ARG 59 -2.344 -12.465 8.485 440 HE ARG 59 HE ARG 59 -0.753 -13.204 10.781 441 HH11 ARG 59 HH21 ARG 59 -0.688 -11.180 7.994 442 HH12 ARG 59 HH22 ARG 59 1.033 -10.988 8.027 443 HH21 ARG 59 HH11 ARG 59 1.473 -12.971 10.831 444 HH22 ARG 59 HH12 ARG 59 2.254 -11.998 9.629 445 H HIS 60 HN HIS 60 -4.610 -8.230 7.383 446 HA HIS 60 HA HIS 60 -7.524 -7.737 7.936 447 HB2 HIS 60 HB2 HIS 60 -5.596 -6.113 6.264 448 HB3 HIS 60 HB1 HIS 60 -7.347 -5.905 6.222 449 HD2 HIS 60 HD2 HIS 60 -8.477 -5.073 8.800 450 HE1 HIS 60 HE1 HIS 60 -4.779 -3.683 10.290 451 HE2 HIS 60 HE2 HIS 60 -7.290 -3.689 10.669 452 H TRP 61 HN TRP 61 -8.951 -8.217 6.224 453 HA TRP 61 HA TRP 61 -7.937 -9.351 3.710 454 HB2 TRP 61 HB2 TRP 61 -8.898 -11.026 6.000 455 HB3 TRP 61 HB1 TRP 61 -9.487 -11.488 4.408 456 HD1 TRP 61 HD1 TRP 61 -7.271 -11.464 2.505 457 HE1 TRP 61 HE1 TRP 61 -5.058 -12.747 2.825 458 HE3 TRP 61 HE3 TRP 61 -7.306 -12.041 7.584 459 HZ2 TRP 61 HZ2 TRP 61 -3.506 -13.867 4.949 460 HZ3 TRP 61 HZ3 TRP 61 -5.448 -13.219 8.727 461 HH2 TRP 61 HH2 TRP 61 -3.553 -14.135 7.415 462 H HIS 62 HN HIS 62 -9.650 -9.478 2.138 463 HA HIS 62 HA HIS 62 -12.018 -7.878 2.764 464 HB2 HIS 62 HB2 HIS 62 -11.235 -9.551 0.355 465 HB3 HIS 62 HB1 HIS 62 -12.769 -8.708 0.456 466 HD2 HIS 62 HD2 HIS 62 -12.271 -5.759 1.012 467 HE1 HIS 62 HE1 HIS 62 -8.753 -5.855 -1.317 468 HE2 HIS 62 HE2 HIS 62 -10.486 -4.340 -0.257 469 H GLU 63 HN GLU 63 -13.912 -8.780 3.653 470 HA GLU 63 HA GLU 63 -14.149 -11.274 4.797 471 HB2 GLU 63 HB2 GLU 63 -16.243 -9.533 3.490 472 HB3 GLU 63 HB1 GLU 63 -16.695 -11.076 4.209 473 HG2 GLU 63 HG2 GLU 63 -15.801 -10.390 6.363 474 HG3 GLU 63 HG1 GLU 63 -15.199 -8.882 5.673 475 H ALA 64 HN ALA 64 -14.358 -10.583 1.361 476 HA ALA 64 HA ALA 64 -15.367 -13.292 0.734 477 HB1 ALA 64 HB1 ALA 64 -16.148 -11.323 -0.557 478 HB2 ALA 64 HB2 ALA 64 -15.365 -12.523 -1.585 479 HB3 ALA 64 HB3 ALA 64 -14.498 -11.059 -1.120 480 H CYS 65 HN CYS 65 -12.285 -11.669 0.943 481 HA CYS 65 HA CYS 65 -10.917 -13.535 -0.854 482 HB2 CYS 65 HB2 CYS 65 -9.999 -11.379 1.033 483 HB3 CYS 65 HB1 CYS 65 -8.846 -12.470 0.270 484 H PHE 66 HN PHE 66 -11.527 -13.314 2.595 485 HA PHE 66 HA PHE 66 -9.598 -15.345 3.315 486 HB2 PHE 66 HB2 PHE 66 -10.886 -13.511 4.743 487 HB3 PHE 66 HB1 PHE 66 -12.056 -14.805 4.962 488 HD1 PHE 66 HD2 PHE 66 -10.766 -17.206 5.377 489 HD2 PHE 66 HD1 PHE 66 -9.326 -13.319 6.463 490 HE1 PHE 66 HE2 PHE 66 -9.328 -18.232 7.102 491 HE2 PHE 66 HE1 PHE 66 -7.870 -14.344 8.193 492 HZ PHE 66 HZ PHE 66 -7.871 -16.804 8.505 493 H HIS 67 HN HIS 67 -9.898 -17.255 2.173 494 HA HIS 67 HA HIS 67 -12.301 -18.810 2.851 495 HB2 HIS 67 HB2 HIS 67 -12.630 -19.395 0.388 496 HB3 HIS 67 HB1 HIS 67 -13.117 -17.768 0.859 497 HD2 HIS 67 HD2 HIS 67 -12.477 -16.940 -1.864 498 HE1 HIS 67 HE1 HIS 67 -8.305 -17.250 -1.298 499 HE2 HIS 67 HE2 HIS 67 -10.122 -16.372 -2.838 500 H CYS 68 HN CYS 68 -12.093 -21.087 1.752 501 HA CYS 68 HA CYS 68 -9.412 -22.085 2.413 502 HB2 CYS 68 HB2 CYS 68 -11.227 -23.481 3.126 503 HB3 CYS 68 HB1 CYS 68 -11.992 -23.420 1.544 504 H SER 69 HN SER 69 -7.950 -22.969 0.900 505 HA SER 69 HA SER 69 -8.130 -21.917 -1.788 506 HB2 SER 69 HB2 SER 69 -6.011 -22.402 -0.408 507 HB3 SER 69 HB1 SER 69 -6.229 -24.081 -0.879 508 HG SER 69 HG SER 69 -4.903 -22.558 -2.261 509 H GLN 70 HN GLN 70 -9.107 -24.920 -0.314 510 HA GLN 70 HA GLN 70 -9.341 -26.261 -2.967 511 HB2 GLN 70 HB2 GLN 70 -9.956 -27.409 -0.236 512 HB3 GLN 70 HB1 GLN 70 -9.700 -28.296 -1.738 513 HG2 GLN 70 HG2 GLN 70 -7.556 -26.512 -0.592 514 HG3 GLN 70 HG1 GLN 70 -7.723 -28.180 -0.068 515 HE21 GLN 70 HE21 GLN 70 -6.012 -26.323 -2.173 516 HE22 GLN 70 HE22 GLN 70 -5.727 -27.455 -3.399 517 H CYS 71 HN CYS 71 -11.385 -25.547 -0.130 518 HA CYS 71 HA CYS 71 -13.805 -26.229 -1.711 519 HB2 CYS 71 HB2 CYS 71 -13.852 -25.159 1.108 520 HB3 CYS 71 HB1 CYS 71 -14.974 -26.269 0.320 521 H ARG 72 HN ARG 72 -11.950 -23.483 -1.263 522 HA ARG 72 HA ARG 72 -12.400 -21.196 -1.472 523 HB2 ARG 72 HB2 ARG 72 -14.750 -22.076 -3.149 524 HB3 ARG 72 HB1 ARG 72 -13.755 -20.635 -3.332 525 HG2 ARG 72 HG2 ARG 72 -11.814 -22.042 -3.922 526 HG3 ARG 72 HG1 ARG 72 -12.818 -23.484 -3.757 527 HD2 ARG 72 HD2 ARG 72 -12.590 -22.707 -6.131 528 HD3 ARG 72 HD1 ARG 72 -14.261 -22.752 -5.570 529 HE ARG 72 HE ARG 72 -13.444 -20.154 -5.036 530 HH11 ARG 72 HH21 ARG 72 -13.480 -22.264 -7.761 531 HH12 ARG 72 HH22 ARG 72 -13.668 -20.986 -8.915 532 HH21 ARG 72 HH11 ARG 72 -13.691 -18.473 -6.526 533 HH22 ARG 72 HH12 ARG 72 -13.789 -18.841 -8.216 534 H ASN 73 HN ASN 73 -14.001 -22.925 0.548 535 HA ASN 73 HA ASN 73 -16.532 -21.580 0.888 536 HB2 ASN 73 HB2 ASN 73 -14.733 -23.147 2.737 537 HB3 ASN 73 HB1 ASN 73 -16.220 -22.398 3.317 538 HD21 ASN 73 HD21 ASN 73 -17.977 -22.820 1.247 539 HD22 ASN 73 HD22 ASN 73 -18.188 -24.479 0.971 540 H SER 74 HN SER 74 -16.964 -19.795 2.333 541 HA SER 74 HA SER 74 -14.660 -17.971 2.604 542 HB2 SER 74 HB2 SER 74 -17.486 -17.488 3.566 543 HB3 SER 74 HB1 SER 74 -16.262 -16.290 3.154 544 HG SER 74 HG SER 74 -16.787 -18.069 1.140 545 H LEU 75 HN LEU 75 -13.353 -18.777 4.300 546 HA LEU 75 HA LEU 75 -14.597 -19.570 6.838 547 HB2 LEU 75 HB2 LEU 75 -11.658 -19.067 6.389 548 HB3 LEU 75 HB1 LEU 75 -12.411 -20.121 7.573 549 HG LEU 75 HG LEU 75 -12.831 -20.648 4.626 550 HD11 LEU 75 HD11 LEU 75 -10.798 -22.300 5.056 551 HD12 LEU 75 HD12 LEU 75 -10.312 -21.043 6.186 552 HD13 LEU 75 HD13 LEU 75 -10.537 -20.656 4.484 553 HD21 LEU 75 HD21 LEU 75 -13.191 -22.885 5.382 554 HD22 LEU 75 HD22 LEU 75 -14.070 -21.831 6.490 555 HD23 LEU 75 HD23 LEU 75 -12.520 -22.521 6.972 556 H VAL 76 HN VAL 76 -15.296 -17.987 8.166 557 HA VAL 76 HA VAL 76 -13.509 -15.678 8.708 558 HB VAL 76 HB VAL 76 -16.448 -15.500 7.960 559 HG11 VAL 76 HG11 VAL 76 -16.030 -13.008 8.415 560 HG12 VAL 76 HG12 VAL 76 -14.604 -13.528 9.312 561 HG13 VAL 76 HG13 VAL 76 -16.207 -14.046 9.830 562 HG21 VAL 76 HG21 VAL 76 -14.958 -15.482 6.044 563 HG22 VAL 76 HG22 VAL 76 -13.890 -14.321 6.833 564 HG23 VAL 76 HG23 VAL 76 -15.503 -13.827 6.322 565 H ASP 77 HN ASP 77 -13.373 -15.388 10.916 566 HA ASP 77 HA ASP 77 -13.677 -15.955 13.172 567 HB2 ASP 77 HB2 ASP 77 -15.775 -15.382 14.055 568 HB3 ASP 77 HB1 ASP 77 -15.741 -14.477 12.546 569 H LYS 78 HN LYS 78 -13.891 -18.070 10.876 570 HA LYS 78 HA LYS 78 -15.048 -20.294 12.517 571 HB2 LYS 78 HB2 LYS 78 -14.930 -19.703 9.582 572 HB3 LYS 78 HB1 LYS 78 -14.797 -21.394 10.045 573 HG2 LYS 78 HG2 LYS 78 -16.903 -21.173 11.361 574 HG3 LYS 78 HG1 LYS 78 -17.034 -19.498 10.831 575 HD2 LYS 78 HD2 LYS 78 -18.380 -20.539 9.240 576 HD3 LYS 78 HD1 LYS 78 -16.828 -20.572 8.407 577 HE2 LYS 78 HE2 LYS 78 -17.739 -22.780 8.217 578 HE3 LYS 78 HE1 LYS 78 -16.472 -22.883 9.437 579 HZ1 LYS 78 HZ1 LYS 78 -17.953 -23.510 10.937 580 HZ2 LYS 78 HZ2 LYS 78 -19.137 -23.565 9.720 581 HZ3 LYS 78 HZ3 LYS 78 -18.922 -22.151 10.637 582 HA PRO 79 HA PRO 79 -10.957 -21.889 12.999 583 HB2 PRO 79 HB2 PRO 79 -11.449 -24.636 12.380 584 HB3 PRO 79 HB1 PRO 79 -11.474 -23.891 13.983 585 HG2 PRO 79 HG2 PRO 79 -13.746 -24.754 12.322 586 HG3 PRO 79 HG1 PRO 79 -13.730 -24.325 14.039 587 HD2 PRO 79 HD2 PRO 79 -14.806 -22.744 11.942 588 HD3 PRO 79 HD1 PRO 79 -14.481 -22.206 13.602 589 H PHE 80 HN PHE 80 -9.178 -22.016 11.641 590 HA PHE 80 HA PHE 80 -9.408 -23.292 8.991 591 HB2 PHE 80 HB2 PHE 80 -8.545 -21.308 7.783 592 HB3 PHE 80 HB1 PHE 80 -10.140 -21.011 8.484 593 HD1 PHE 80 HD1 PHE 80 -6.470 -20.490 9.060 594 HD2 PHE 80 HD2 PHE 80 -10.460 -19.236 10.012 595 HE1 PHE 80 HE1 PHE 80 -5.571 -18.546 10.306 596 HE2 PHE 80 HE2 PHE 80 -9.559 -17.297 11.264 597 HZ PHE 80 HZ PHE 80 -7.106 -16.951 11.407 598 H ALA 81 HN ALA 81 -7.346 -23.732 8.052 599 HA ALA 81 HA ALA 81 -5.126 -23.698 10.036 600 HB1 ALA 81 HB1 ALA 81 -5.032 -25.008 7.315 601 HB2 ALA 81 HB2 ALA 81 -5.855 -25.790 8.665 602 HB3 ALA 81 HB3 ALA 81 -4.133 -25.428 8.774 603 H ALA 82 HN ALA 82 -3.840 -21.944 9.905 604 HA ALA 82 HA ALA 82 -3.781 -20.282 7.507 605 HB1 ALA 82 HB1 ALA 82 -2.704 -18.699 8.834 606 HB2 ALA 82 HB2 ALA 82 -1.838 -19.915 9.777 607 HB3 ALA 82 HB3 ALA 82 -3.549 -19.629 10.069 608 H LYS 83 HN LYS 83 -2.679 -21.146 5.804 609 HA LYS 83 HA LYS 83 -0.092 -22.525 6.254 610 HB2 LYS 83 HB2 LYS 83 -1.567 -23.599 4.667 611 HB3 LYS 83 HB1 LYS 83 -1.784 -22.100 3.778 612 HG2 LYS 83 HG2 LYS 83 0.396 -22.136 2.904 613 HG3 LYS 83 HG1 LYS 83 0.970 -23.262 4.136 614 HD2 LYS 83 HD2 LYS 83 -0.262 -25.082 3.161 615 HD3 LYS 83 HD1 LYS 83 -1.118 -23.993 2.070 616 HE2 LYS 83 HE2 LYS 83 0.659 -25.106 0.832 617 HE3 LYS 83 HE1 LYS 83 1.073 -23.401 1.016 618 HZ1 LYS 83 HZ1 LYS 83 2.011 -25.489 2.896 619 HZ2 LYS 83 HZ2 LYS 83 2.576 -23.895 2.738 620 HZ3 LYS 83 HZ3 LYS 83 2.893 -25.036 1.520 621 H GLU 84 HN GLU 84 1.785 -21.791 4.935 622 HA GLU 84 HA GLU 84 2.710 -19.301 5.456 623 HB2 GLU 84 HB2 GLU 84 3.129 -20.952 2.964 624 HB3 GLU 84 HB1 GLU 84 4.024 -19.463 3.259 625 HG2 GLU 84 HG2 GLU 84 4.816 -20.381 5.422 626 HG3 GLU 84 HG1 GLU 84 3.957 -21.884 5.083 627 H ASP 85 HN ASP 85 1.121 -19.934 2.272 628 HA ASP 85 HA ASP 85 0.328 -17.031 2.251 629 HB2 ASP 85 HB2 ASP 85 1.543 -18.808 0.158 630 HB3 ASP 85 HB1 ASP 85 0.430 -17.551 -0.365 631 H GLN 86 HN GLN 86 -0.937 -20.054 2.614 632 HA GLN 86 HA GLN 86 -3.470 -19.285 1.179 633 HB2 GLN 86 HB2 GLN 86 -2.523 -22.124 1.588 634 HB3 GLN 86 HB1 GLN 86 -3.845 -21.559 0.574 635 HG2 GLN 86 HG2 GLN 86 -0.984 -20.702 0.096 636 HG3 GLN 86 HG1 GLN 86 -1.665 -22.159 -0.607 637 HE21 GLN 86 HE21 GLN 86 -4.209 -20.018 -0.304 638 HE22 GLN 86 HE22 GLN 86 -4.166 -19.323 -1.851 639 H LEU 87 HN LEU 87 -5.357 -20.543 2.018 640 HA LEU 87 HA LEU 87 -5.215 -21.081 4.945 641 HB2 LEU 87 HB2 LEU 87 -7.155 -19.306 3.438 642 HB3 LEU 87 HB1 LEU 87 -7.641 -20.093 4.939 643 HG LEU 87 HG LEU 87 -5.038 -18.583 4.878 644 HD11 LEU 87 HD11 LEU 87 -6.346 -16.839 4.039 645 HD12 LEU 87 HD12 LEU 87 -6.497 -16.603 5.779 646 HD13 LEU 87 HD13 LEU 87 -7.796 -17.384 4.878 647 HD21 LEU 87 HD21 LEU 87 -6.015 -20.053 6.813 648 HD22 LEU 87 HD22 LEU 87 -7.057 -18.667 7.102 649 HD23 LEU 87 HD23 LEU 87 -5.309 -18.486 7.194 650 H LEU 88 HN LEU 88 -6.258 -22.968 5.461 651 HA LEU 88 HA LEU 88 -8.000 -24.243 3.373 652 HB2 LEU 88 HB2 LEU 88 -5.678 -25.436 4.913 653 HB3 LEU 88 HB1 LEU 88 -6.858 -26.413 4.047 654 HG LEU 88 HG LEU 88 -5.503 -24.164 2.571 655 HD11 LEU 88 HD11 LEU 88 -4.246 -26.819 3.262 656 HD12 LEU 88 HD12 LEU 88 -3.579 -25.205 3.511 657 HD13 LEU 88 HD13 LEU 88 -3.736 -25.852 1.878 658 HD21 LEU 88 HD21 LEU 88 -6.469 -26.929 1.797 659 HD22 LEU 88 HD22 LEU 88 -5.748 -25.761 0.690 660 HD23 LEU 88 HD23 LEU 88 -7.292 -25.405 1.463 661 H CYS 89 HN CYS 89 -9.278 -26.098 4.367 662 HA CYS 89 HA CYS 89 -10.374 -25.203 6.952 663 HB2 CYS 89 HB2 CYS 89 -11.184 -27.679 5.407 664 HB3 CYS 89 HB1 CYS 89 -12.141 -26.760 6.563 665 H THR 90 HN THR 90 -10.004 -26.291 8.893 666 HA THR 90 HA THR 90 -7.702 -27.812 9.294 667 HB THR 90 HB THR 90 -8.665 -27.202 11.320 668 HG1 THR 90 HG1 THR 90 -8.300 -29.249 11.809 669 HG21 THR 90 HG21 THR 90 -11.281 -27.989 10.038 670 HG22 THR 90 HG22 THR 90 -10.770 -26.393 10.588 671 HG23 THR 90 HG23 THR 90 -11.155 -27.649 11.764 672 H ASP 91 HN ASP 91 -10.564 -28.748 7.709 673 HA ASP 91 HA ASP 91 -10.153 -31.644 8.055 674 HB2 ASP 91 HB2 ASP 91 -11.970 -30.142 6.157 675 HB3 ASP 91 HB1 ASP 91 -12.033 -31.869 6.496 676 H CYS 92 HN CYS 92 -9.816 -29.212 5.464 677 HA CYS 92 HA CYS 92 -8.615 -31.112 3.613 678 HB2 CYS 92 HB2 CYS 92 -8.298 -28.114 3.424 679 HB3 CYS 92 HB1 CYS 92 -8.411 -29.292 2.119 680 H TYR 93 HN TYR 93 -7.429 -28.607 5.828 681 HA TYR 93 HA TYR 93 -4.691 -28.676 5.112 682 HB2 TYR 93 HB2 TYR 93 -5.842 -27.094 6.726 683 HB3 TYR 93 HB1 TYR 93 -5.756 -28.378 7.925 684 HD1 TYR 93 HD2 TYR 93 -3.589 -26.467 5.526 685 HD2 TYR 93 HD1 TYR 93 -3.825 -28.640 9.223 686 HE1 TYR 93 HE2 TYR 93 -1.233 -25.877 6.026 687 HE2 TYR 93 HE1 TYR 93 -1.471 -28.059 9.720 688 HH TYR 93 HH TYR 93 0.248 -25.684 7.933 689 H SER 94 HN SER 94 -6.432 -30.565 7.564 690 HA SER 94 HA SER 94 -4.164 -32.131 8.357 691 HB2 SER 94 HB2 SER 94 -7.142 -32.659 8.534 692 HB3 SER 94 HB1 SER 94 -5.931 -33.732 9.230 693 HG SER 94 HG SER 94 -5.984 -32.411 10.859 694 H ASN 95 HN ASN 95 -6.157 -32.204 5.558 695 HA ASN 95 HA ASN 95 -5.801 -35.016 4.926 696 HB2 ASN 95 HB2 ASN 95 -7.604 -33.428 4.007 697 HB3 ASN 95 HB1 ASN 95 -6.351 -32.813 2.929 698 HD21 ASN 95 HD21 ASN 95 -8.876 -34.804 2.733 699 HD22 ASN 95 HD22 ASN 95 -8.265 -36.020 1.719 700 H GLU 96 HN GLU 96 -4.067 -32.023 4.178 701 HA GLU 96 HA GLU 96 -2.042 -33.603 2.626 702 HB2 GLU 96 HB2 GLU 96 -1.248 -31.195 2.037 703 HB3 GLU 96 HB1 GLU 96 -2.733 -31.787 1.294 704 HG2 GLU 96 HG2 GLU 96 -4.097 -30.595 2.878 705 HG3 GLU 96 HG1 GLU 96 -2.691 -30.170 3.854 706 H TYR 97 HN TYR 97 -2.410 -31.302 5.306 707 HA TYR 97 HA TYR 97 0.309 -30.956 5.976 708 HB2 TYR 97 HB2 TYR 97 -1.460 -29.677 7.075 709 HB3 TYR 97 HB1 TYR 97 -2.106 -31.147 7.802 710 HD1 TYR 97 HD2 TYR 97 0.878 -28.919 7.697 711 HD2 TYR 97 HD1 TYR 97 -1.187 -32.041 9.806 712 HE1 TYR 97 HE2 TYR 97 2.441 -28.664 9.606 713 HE2 TYR 97 HE1 TYR 97 0.377 -31.786 11.714 714 HH TYR 97 HH TYR 97 2.882 -29.259 11.711 715 H SER 98 HN SER 98 -1.877 -33.644 6.625 716 HA SER 98 HA SER 98 -0.422 -35.042 8.582 717 HB2 SER 98 HB2 SER 98 -2.567 -35.884 7.907 718 HB3 SER 98 HB1 SER 98 -2.044 -36.052 6.234 719 HG SER 98 HG SER 98 -0.933 -37.814 6.744 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -12.251 31.034 -0.271 2 H2 MET 1 HT2 MET 1 -13.640 30.095 0.008 3 H3 MET 1 HT3 MET 1 -13.770 31.601 -0.769 4 HA MET 1 HA MET 1 -12.878 29.025 -1.825 5 HB2 MET 1 HB2 MET 1 -14.370 31.419 -2.944 6 HB3 MET 1 HB1 MET 1 -14.056 29.927 -3.831 7 HG2 MET 1 HG2 MET 1 -15.498 29.976 -1.171 8 HG3 MET 1 HG1 MET 1 -16.341 30.069 -2.717 9 HE1 MET 1 HE1 MET 1 -16.936 26.463 -1.317 10 HE2 MET 1 HE2 MET 1 -17.520 28.124 -1.382 11 HE3 MET 1 HE3 MET 1 -16.301 27.673 -0.193 12 H THR 2 HN THR 2 -11.282 31.757 -1.073 13 HA THR 2 HA THR 2 -9.999 32.378 -3.605 14 HB THR 2 HB THR 2 -10.167 33.996 -1.702 15 HG1 THR 2 HG1 THR 2 -7.736 34.393 -1.775 16 HG21 THR 2 HG21 THR 2 -7.949 32.389 -0.434 17 HG22 THR 2 HG22 THR 2 -9.641 32.160 0.010 18 HG23 THR 2 HG23 THR 2 -8.867 33.724 0.264 19 H GLU 3 HN GLU 3 -9.124 30.450 -0.752 20 HA GLU 3 HA GLU 3 -6.498 29.733 -1.591 21 HB2 GLU 3 HB2 GLU 3 -6.651 27.955 0.032 22 HB3 GLU 3 HB1 GLU 3 -7.502 29.346 0.696 23 HG2 GLU 3 HG2 GLU 3 -9.628 28.313 -0.340 24 HG3 GLU 3 HG1 GLU 3 -8.676 26.839 -0.517 25 H ARG 4 HN ARG 4 -6.100 27.207 -1.964 26 HA ARG 4 HA ARG 4 -7.470 26.602 -4.516 27 HB2 ARG 4 HB2 ARG 4 -5.052 25.373 -3.167 28 HB3 ARG 4 HB1 ARG 4 -5.625 24.978 -4.783 29 HG2 ARG 4 HG2 ARG 4 -4.988 27.834 -4.010 30 HG3 ARG 4 HG1 ARG 4 -3.721 26.742 -4.557 31 HD2 ARG 4 HD2 ARG 4 -5.217 26.289 -6.608 32 HD3 ARG 4 HD1 ARG 4 -6.147 27.693 -6.088 33 HE ARG 4 HE ARG 4 -3.530 28.605 -6.131 34 HH11 ARG 4 HH21 ARG 4 -5.667 27.003 -8.309 35 HH12 ARG 4 HH22 ARG 4 -4.969 27.714 -9.726 36 HH21 ARG 4 HH11 ARG 4 -2.606 29.543 -7.967 37 HH22 ARG 4 HH12 ARG 4 -3.236 29.153 -9.533 38 H PHE 5 HN PHE 5 -8.617 24.690 -4.850 39 HA PHE 5 HA PHE 5 -9.165 23.023 -2.415 40 HB2 PHE 5 HB2 PHE 5 -10.987 24.607 -3.485 41 HB3 PHE 5 HB1 PHE 5 -11.126 23.327 -4.682 42 HD1 PHE 5 HD1 PHE 5 -11.083 23.929 -0.999 43 HD2 PHE 5 HD2 PHE 5 -12.458 21.440 -4.208 44 HE1 PHE 5 HE1 PHE 5 -12.468 22.644 0.598 45 HE2 PHE 5 HE2 PHE 5 -13.853 20.149 -2.607 46 HZ PHE 5 HZ PHE 5 -13.855 20.745 -0.209 47 H ASP 6 HN ASP 6 -7.140 21.981 -3.527 48 HA ASP 6 HA ASP 6 -8.159 19.792 -5.295 49 HB2 ASP 6 HB2 ASP 6 -5.374 20.911 -5.633 50 HB3 ASP 6 HB1 ASP 6 -6.295 19.887 -6.737 51 H CYS 7 HN CYS 7 -7.159 17.793 -4.967 52 HA CYS 7 HA CYS 7 -6.314 17.225 -2.321 53 HB2 CYS 7 HB2 CYS 7 -7.185 15.456 -3.613 54 HB3 CYS 7 HB1 CYS 7 -6.071 15.756 -4.932 55 H HIS 8 HN HIS 8 -4.508 18.345 -1.596 56 HA HIS 8 HA HIS 8 -2.343 19.300 -3.029 57 HB2 HIS 8 HB2 HIS 8 -2.852 19.596 -0.573 58 HB3 HIS 8 HB1 HIS 8 -2.077 18.055 -0.291 59 HD2 HIS 8 HD2 HIS 8 0.761 18.029 -0.856 60 HE1 HIS 8 HE1 HIS 8 1.102 22.228 -1.133 61 HE2 HIS 8 HE2 HIS 8 2.405 20.054 -0.977 62 H HIS 9 HN HIS 9 -3.037 15.969 -2.283 63 HA HIS 9 HA HIS 9 -0.262 15.137 -2.825 64 HB2 HIS 9 HB2 HIS 9 -1.453 13.910 -1.143 65 HB3 HIS 9 HB1 HIS 9 -2.785 13.588 -2.219 66 HD2 HIS 9 HD2 HIS 9 -1.541 10.856 -1.237 67 HE1 HIS 9 HE1 HIS 9 0.891 10.837 -4.686 68 HE2 HIS 9 HE2 HIS 9 -0.027 9.413 -2.796 69 H CYS 10 HN CYS 10 -3.395 14.202 -4.389 70 HA CYS 10 HA CYS 10 -1.926 13.511 -6.851 71 HB2 CYS 10 HB2 CYS 10 -4.926 13.609 -6.520 72 HB3 CYS 10 HB1 CYS 10 -3.994 12.646 -7.662 73 H ASN 11 HN ASN 11 -3.166 16.278 -5.519 74 HA ASN 11 HA ASN 11 -3.673 18.403 -6.315 75 HB2 ASN 11 HB2 ASN 11 -1.468 18.332 -7.227 76 HB3 ASN 11 HB1 ASN 11 -1.999 17.340 -8.574 77 HD21 ASN 11 HD21 ASN 11 -2.136 20.620 -7.211 78 HD22 ASN 11 HD22 ASN 11 -2.647 21.378 -8.641 79 H GLU 12 HN GLU 12 -5.407 15.979 -7.069 80 HA GLU 12 HA GLU 12 -6.703 17.025 -9.538 81 HB2 GLU 12 HB2 GLU 12 -7.974 14.986 -9.564 82 HB3 GLU 12 HB1 GLU 12 -6.311 14.536 -9.194 83 HG2 GLU 12 HG2 GLU 12 -6.968 14.648 -6.734 84 HG3 GLU 12 HG1 GLU 12 -8.636 14.754 -7.270 85 H SER 13 HN SER 13 -8.578 18.202 -9.431 86 HA SER 13 HA SER 13 -9.476 19.505 -7.149 87 HB2 SER 13 HB2 SER 13 -11.413 20.102 -8.360 88 HB3 SER 13 HB1 SER 13 -10.212 19.799 -9.613 89 HG SER 13 HG SER 13 -11.166 17.910 -10.085 90 H LEU 14 HN LEU 14 -10.699 18.912 -5.347 91 HA LEU 14 HA LEU 14 -11.159 16.167 -4.754 92 HB2 LEU 14 HB2 LEU 14 -12.480 18.656 -3.668 93 HB3 LEU 14 HB1 LEU 14 -12.792 17.061 -3.033 94 HG LEU 14 HG LEU 14 -11.126 18.227 -1.699 95 HD11 LEU 14 HD11 LEU 14 -11.036 15.662 -2.370 96 HD12 LEU 14 HD12 LEU 14 -9.760 16.402 -1.408 97 HD13 LEU 14 HD13 LEU 14 -9.523 16.156 -3.136 98 HD21 LEU 14 HD21 LEU 14 -10.295 19.548 -3.742 99 HD22 LEU 14 HD22 LEU 14 -9.269 18.145 -4.053 100 HD23 LEU 14 HD23 LEU 14 -9.103 19.042 -2.547 101 H PHE 15 HN PHE 15 -12.768 14.833 -5.345 102 HA PHE 15 HA PHE 15 -14.550 15.718 -7.451 103 HB2 PHE 15 HB2 PHE 15 -15.179 13.316 -7.518 104 HB3 PHE 15 HB1 PHE 15 -13.442 13.579 -7.603 105 HD1 PHE 15 HD2 PHE 15 -12.045 13.355 -5.413 106 HD2 PHE 15 HD1 PHE 15 -16.129 12.039 -5.786 107 HE1 PHE 15 HE2 PHE 15 -11.785 11.955 -3.394 108 HE2 PHE 15 HE1 PHE 15 -15.851 10.625 -3.769 109 HZ PHE 15 HZ PHE 15 -13.682 10.585 -2.574 110 H GLY 16 HN GLY 16 -16.235 16.990 -6.669 111 HA2 GLY 16 HA2 GLY 16 -18.285 17.451 -5.611 112 HA3 GLY 16 HA1 GLY 16 -18.616 15.804 -6.114 113 H LYS 17 HN LYS 17 -16.130 15.836 -3.718 114 HA LYS 17 HA LYS 17 -18.231 15.379 -1.597 115 HB2 LYS 17 HB2 LYS 17 -17.564 13.230 -2.541 116 HB3 LYS 17 HB1 LYS 17 -15.868 13.604 -2.233 117 HG2 LYS 17 HG2 LYS 17 -16.126 13.475 0.105 118 HG3 LYS 17 HG1 LYS 17 -17.877 13.664 0.019 119 HD2 LYS 17 HD2 LYS 17 -18.086 11.443 -1.010 120 HD3 LYS 17 HD1 LYS 17 -16.332 11.255 -0.990 121 HE2 LYS 17 HE2 LYS 17 -17.262 10.086 0.930 122 HE3 LYS 17 HE1 LYS 17 -16.383 11.504 1.501 123 HZ1 LYS 17 HZ1 LYS 17 -19.039 12.225 0.922 124 HZ2 LYS 17 HZ2 LYS 17 -18.229 12.268 2.415 125 HZ3 LYS 17 HZ3 LYS 17 -19.055 10.864 1.934 126 H LYS 18 HN LYS 18 -17.514 15.387 0.569 127 HA LYS 18 HA LYS 18 -15.953 17.574 1.346 128 HB2 LYS 18 HB2 LYS 18 -16.933 15.094 2.693 129 HB3 LYS 18 HB1 LYS 18 -15.658 15.983 3.523 130 HG2 LYS 18 HG2 LYS 18 -18.073 17.454 2.469 131 HG3 LYS 18 HG1 LYS 18 -18.156 16.588 3.993 132 HD2 LYS 18 HD2 LYS 18 -16.170 17.863 4.803 133 HD3 LYS 18 HD1 LYS 18 -16.201 18.795 3.307 134 HE2 LYS 18 HE2 LYS 18 -18.476 18.623 5.303 135 HE3 LYS 18 HE1 LYS 18 -17.369 19.985 5.136 136 HZ1 LYS 18 HZ1 LYS 18 -18.147 20.401 2.954 137 HZ2 LYS 18 HZ2 LYS 18 -19.523 20.226 3.934 138 HZ3 LYS 18 HZ3 LYS 18 -19.038 18.959 2.912 139 H TYR 19 HN TYR 19 -13.867 17.293 2.721 140 HA TYR 19 HA TYR 19 -12.059 15.229 1.563 141 HB2 TYR 19 HB2 TYR 19 -10.476 16.907 0.792 142 HB3 TYR 19 HB1 TYR 19 -12.054 17.198 0.060 143 HD1 TYR 19 HD1 TYR 19 -13.640 18.860 1.253 144 HD2 TYR 19 HD2 TYR 19 -9.427 18.620 2.012 145 HE1 TYR 19 HE1 TYR 19 -13.690 21.137 2.229 146 HE2 TYR 19 HE2 TYR 19 -9.472 20.904 2.986 147 HH TYR 19 HH TYR 19 -12.413 22.869 2.916 148 H ILE 20 HN ILE 20 -9.983 15.152 2.627 149 HA ILE 20 HA ILE 20 -10.151 15.987 5.496 150 HB ILE 20 HB ILE 20 -8.593 13.784 4.112 151 HG12 ILE 20 HG12 ILE 20 -10.775 13.395 6.160 152 HG13 ILE 20 HG11 ILE 20 -11.204 13.664 4.475 153 HG21 ILE 20 HG21 ILE 20 -8.717 14.701 6.992 154 HG22 ILE 20 HG22 ILE 20 -7.292 14.486 5.976 155 HG23 ILE 20 HG23 ILE 20 -8.189 13.078 6.545 156 HD11 ILE 20 HD11 ILE 20 -9.223 11.540 5.321 157 HD12 ILE 20 HD12 ILE 20 -10.009 11.725 3.753 158 HD13 ILE 20 HD13 ILE 20 -10.950 11.225 5.158 159 H LEU 21 HN LEU 21 -8.520 17.283 6.328 160 HA LEU 21 HA LEU 21 -6.464 18.256 4.429 161 HB2 LEU 21 HB2 LEU 21 -7.086 19.054 7.291 162 HB3 LEU 21 HB1 LEU 21 -5.732 19.699 6.350 163 HG LEU 21 HG LEU 21 -7.781 21.160 6.347 164 HD11 LEU 21 HD11 LEU 21 -5.990 20.909 4.431 165 HD12 LEU 21 HD12 LEU 21 -7.459 21.832 4.142 166 HD13 LEU 21 HD13 LEU 21 -7.326 20.188 3.539 167 HD21 LEU 21 HD21 LEU 21 -9.005 19.114 4.495 168 HD22 LEU 21 HD22 LEU 21 -9.776 20.491 5.277 169 HD23 LEU 21 HD23 LEU 21 -9.326 19.078 6.230 170 H ARG 22 HN ARG 22 -4.901 16.828 4.204 171 HA ARG 22 HA ARG 22 -3.813 15.429 6.593 172 HB2 ARG 22 HB2 ARG 22 -4.653 13.964 4.771 173 HB3 ARG 22 HB1 ARG 22 -3.613 14.804 3.645 174 HG2 ARG 22 HG2 ARG 22 -2.638 12.707 4.259 175 HG3 ARG 22 HG1 ARG 22 -1.656 14.032 4.848 176 HD2 ARG 22 HD2 ARG 22 -3.279 13.533 7.022 177 HD3 ARG 22 HD1 ARG 22 -3.236 11.951 6.310 178 HE ARG 22 HE ARG 22 -1.224 12.967 7.938 179 HH11 ARG 22 HH21 ARG 22 -1.375 11.838 4.660 180 HH12 ARG 22 HH22 ARG 22 0.300 11.437 4.602 181 HH21 ARG 22 HH11 ARG 22 0.939 12.422 7.849 182 HH22 ARG 22 HH12 ARG 22 1.602 11.753 6.395 183 H GLU 23 HN GLU 23 -1.651 15.723 7.131 184 HA GLU 23 HA GLU 23 0.365 16.934 7.227 185 HB2 GLU 23 HB2 GLU 23 0.039 16.632 4.220 186 HB3 GLU 23 HB1 GLU 23 1.475 17.319 4.975 187 HG2 GLU 23 HG2 GLU 23 0.413 14.615 5.784 188 HG3 GLU 23 HG1 GLU 23 1.520 14.797 4.427 189 H GLU 24 HN GLU 24 -2.131 18.313 7.364 190 HA GLU 24 HA GLU 24 -3.002 20.485 7.274 191 HB2 GLU 24 HB2 GLU 24 -0.196 21.368 6.551 192 HB3 GLU 24 HB1 GLU 24 -1.439 22.290 7.395 193 HG2 GLU 24 HG2 GLU 24 -1.333 20.498 9.216 194 HG3 GLU 24 HG1 GLU 24 0.139 19.929 8.428 195 H SER 25 HN SER 25 -2.962 18.793 4.911 196 HA SER 25 HA SER 25 -3.319 20.920 2.910 197 HB2 SER 25 HB2 SER 25 -1.825 18.483 2.002 198 HB3 SER 25 HB1 SER 25 -1.764 20.123 1.372 199 HG SER 25 HG SER 25 -0.930 19.665 3.997 200 HA PRO 26 HA PRO 26 -6.930 18.426 2.109 201 HB2 PRO 26 HB2 PRO 26 -7.212 19.147 -0.645 202 HB3 PRO 26 HB1 PRO 26 -8.004 19.918 0.731 203 HG2 PRO 26 HG2 PRO 26 -5.747 20.901 -0.881 204 HG3 PRO 26 HG1 PRO 26 -6.769 21.790 0.255 205 HD2 PRO 26 HD2 PRO 26 -4.089 21.000 0.710 206 HD3 PRO 26 HD1 PRO 26 -5.232 21.586 1.938 207 H TYR 27 HN TYR 27 -6.951 16.261 1.692 208 HA TYR 27 HA TYR 27 -5.345 15.190 -0.611 209 HB2 TYR 27 HB2 TYR 27 -5.768 14.203 2.204 210 HB3 TYR 27 HB1 TYR 27 -5.660 13.000 0.933 211 HD1 TYR 27 HD2 TYR 27 -3.616 16.019 0.485 212 HD2 TYR 27 HD1 TYR 27 -3.743 12.127 2.155 213 HE1 TYR 27 HE2 TYR 27 -1.198 16.098 0.661 214 HE2 TYR 27 HE1 TYR 27 -1.291 12.173 2.377 215 HH TYR 27 HH TYR 27 0.576 15.054 1.819 216 H CYS 28 HN CYS 28 -6.526 13.680 -1.910 217 HA CYS 28 HA CYS 28 -9.406 14.004 -1.811 218 HB2 CYS 28 HB2 CYS 28 -9.482 12.305 -3.595 219 HB3 CYS 28 HB1 CYS 28 -8.265 13.515 -3.951 220 H VAL 29 HN VAL 29 -10.948 12.385 -1.151 221 HA VAL 29 HA VAL 29 -10.532 11.102 1.253 222 HB VAL 29 HB VAL 29 -12.200 9.844 -0.930 223 HG11 VAL 29 HG11 VAL 29 -12.583 10.158 2.056 224 HG12 VAL 29 HG12 VAL 29 -12.015 8.693 1.254 225 HG13 VAL 29 HG13 VAL 29 -13.651 9.284 0.957 226 HG21 VAL 29 HG21 VAL 29 -12.661 12.368 0.673 227 HG22 VAL 29 HG22 VAL 29 -13.985 11.459 -0.056 228 HG23 VAL 29 HG23 VAL 29 -12.734 12.167 -1.077 229 H VAL 30 HN VAL 30 -10.297 9.514 -1.920 230 HA VAL 30 HA VAL 30 -9.453 6.988 -1.213 231 HB VAL 30 HB VAL 30 -8.130 8.539 -3.441 232 HG11 VAL 30 HG11 VAL 30 -7.472 6.153 -2.888 233 HG12 VAL 30 HG12 VAL 30 -8.058 6.407 -4.532 234 HG13 VAL 30 HG13 VAL 30 -9.116 5.683 -3.320 235 HG21 VAL 30 HG21 VAL 30 -10.174 7.742 -4.767 236 HG22 VAL 30 HG22 VAL 30 -10.439 9.092 -3.664 237 HG23 VAL 30 HG23 VAL 30 -10.949 7.467 -3.207 238 H CYS 31 HN CYS 31 -7.221 9.771 -1.733 239 HA CYS 31 HA CYS 31 -4.805 8.529 -1.177 240 HB2 CYS 31 HB2 CYS 31 -5.839 11.282 -0.687 241 HB3 CYS 31 HB1 CYS 31 -4.361 10.836 0.157 242 H PHE 32 HN PHE 32 -6.662 10.237 1.347 243 HA PHE 32 HA PHE 32 -5.294 9.338 3.585 244 HB2 PHE 32 HB2 PHE 32 -7.269 10.913 3.541 245 HB3 PHE 32 HB1 PHE 32 -8.315 9.497 3.459 246 HD1 PHE 32 HD1 PHE 32 -8.218 7.776 5.306 247 HD2 PHE 32 HD2 PHE 32 -6.285 11.603 5.596 248 HE1 PHE 32 HE1 PHE 32 -8.061 7.512 7.769 249 HE2 PHE 32 HE2 PHE 32 -6.126 11.338 8.056 250 HZ PHE 32 HZ PHE 32 -7.015 9.293 9.144 251 H GLU 33 HN GLU 33 -7.958 7.533 1.975 252 HA GLU 33 HA GLU 33 -7.781 5.318 3.809 253 HB2 GLU 33 HB2 GLU 33 -8.802 5.143 0.971 254 HB3 GLU 33 HB1 GLU 33 -9.299 4.201 2.374 255 HG2 GLU 33 HG2 GLU 33 -9.925 6.599 3.343 256 HG3 GLU 33 HG1 GLU 33 -10.005 7.017 1.640 257 H THR 34 HN THR 34 -6.888 5.411 0.351 258 HA THR 34 HA THR 34 -5.520 2.978 0.274 259 HB THR 34 HB THR 34 -6.036 4.763 -1.596 260 HG1 THR 34 HG1 THR 34 -3.640 3.353 -1.928 261 HG21 THR 34 HG21 THR 34 -4.328 6.371 -0.606 262 HG22 THR 34 HG22 THR 34 -4.180 6.061 -2.332 263 HG23 THR 34 HG23 THR 34 -3.086 5.271 -1.197 264 H LEU 35 HN LEU 35 -4.146 6.140 1.183 265 HA LEU 35 HA LEU 35 -1.461 5.334 1.477 266 HB2 LEU 35 HB2 LEU 35 -3.063 7.338 3.072 267 HB3 LEU 35 HB1 LEU 35 -1.317 7.171 3.190 268 HG LEU 35 HG LEU 35 -2.690 7.659 0.538 269 HD11 LEU 35 HD11 LEU 35 -2.194 10.050 0.862 270 HD12 LEU 35 HD12 LEU 35 -1.617 9.708 2.493 271 HD13 LEU 35 HD13 LEU 35 -3.316 9.463 2.089 272 HD21 LEU 35 HD21 LEU 35 -0.377 8.716 0.113 273 HD22 LEU 35 HD22 LEU 35 -0.429 6.961 0.223 274 HD23 LEU 35 HD23 LEU 35 0.141 7.914 1.593 275 H PHE 36 HN PHE 36 -3.870 5.534 4.125 276 HA PHE 36 HA PHE 36 -2.103 3.805 5.781 277 HB2 PHE 36 HB2 PHE 36 -4.675 5.011 6.759 278 HB3 PHE 36 HB1 PHE 36 -3.173 4.721 7.631 279 HD1 PHE 36 HD2 PHE 36 -1.195 5.905 5.698 280 HD2 PHE 36 HD1 PHE 36 -5.014 7.338 7.053 281 HE1 PHE 36 HE2 PHE 36 -0.487 8.222 5.234 282 HE2 PHE 36 HE1 PHE 36 -4.295 9.665 6.582 283 HZ PHE 36 HZ PHE 36 -2.035 10.095 5.672 284 H ALA 37 HN ALA 37 -4.631 3.248 3.679 285 HA ALA 37 HA ALA 37 -6.294 1.475 5.171 286 HB1 ALA 37 HB1 ALA 37 -7.153 2.033 3.059 287 HB2 ALA 37 HB2 ALA 37 -6.607 0.375 2.813 288 HB3 ALA 37 HB3 ALA 37 -5.619 1.722 2.248 289 H ASN 38 HN ASN 38 -6.260 -0.881 5.192 290 HA ASN 38 HA ASN 38 -3.532 -1.937 5.511 291 HB2 ASN 38 HB2 ASN 38 -6.296 -3.051 6.026 292 HB3 ASN 38 HB1 ASN 38 -4.844 -4.032 6.177 293 HD21 ASN 38 HD21 ASN 38 -3.066 -2.966 7.643 294 HD22 ASN 38 HD22 ASN 38 -3.622 -2.170 9.036 295 H THR 39 HN THR 39 -2.783 -3.843 4.343 296 HA THR 39 HA THR 39 -3.854 -3.937 1.577 297 HB THR 39 HB THR 39 -1.468 -5.479 2.612 298 HG1 THR 39 HG1 THR 39 -1.454 -3.136 3.098 299 HG21 THR 39 HG21 THR 39 -2.001 -4.208 -0.084 300 HG22 THR 39 HG22 THR 39 -2.465 -5.864 0.308 301 HG23 THR 39 HG23 THR 39 -0.764 -5.399 0.320 302 H CYS 40 HN CYS 40 -4.945 -5.669 0.753 303 HA CYS 40 HA CYS 40 -5.669 -7.860 2.608 304 HB2 CYS 40 HB2 CYS 40 -7.525 -7.052 1.363 305 HB3 CYS 40 HB1 CYS 40 -6.613 -7.016 -0.141 306 H GLU 41 HN GLU 41 -3.990 -9.226 2.775 307 HA GLU 41 HA GLU 41 -1.961 -9.872 1.039 308 HB2 GLU 41 HB2 GLU 41 -3.472 -11.863 2.750 309 HB3 GLU 41 HB1 GLU 41 -1.810 -12.019 2.182 310 HG2 GLU 41 HG2 GLU 41 -1.163 -10.015 3.444 311 HG3 GLU 41 HG1 GLU 41 -2.827 -9.785 3.971 312 H GLU 42 HN GLU 42 -5.302 -10.578 0.542 313 HA GLU 42 HA GLU 42 -4.723 -12.714 -1.432 314 HB2 GLU 42 HB2 GLU 42 -6.770 -12.599 0.210 315 HB3 GLU 42 HB1 GLU 42 -7.454 -11.509 -0.993 316 HG2 GLU 42 HG2 GLU 42 -6.470 -14.331 -1.514 317 HG3 GLU 42 HG1 GLU 42 -8.157 -13.824 -1.428 318 H CYS 43 HN CYS 43 -6.382 -9.524 -1.475 319 HA CYS 43 HA CYS 43 -6.270 -9.452 -4.405 320 HB2 CYS 43 HB2 CYS 43 -7.059 -7.287 -2.431 321 HB3 CYS 43 HB1 CYS 43 -7.344 -7.254 -4.171 322 H GLY 44 HN GLY 44 -4.632 -7.839 -1.704 323 HA2 GLY 44 HA2 GLY 44 -2.403 -6.960 -1.761 324 HA3 GLY 44 HA1 GLY 44 -2.418 -7.087 -3.525 325 H LYS 45 HN LYS 45 -5.319 -5.902 -2.917 326 HA LYS 45 HA LYS 45 -4.529 -3.124 -3.485 327 HB2 LYS 45 HB2 LYS 45 -6.299 -4.263 -4.808 328 HB3 LYS 45 HB1 LYS 45 -7.253 -4.451 -3.341 329 HG2 LYS 45 HG2 LYS 45 -7.223 -1.931 -3.102 330 HG3 LYS 45 HG1 LYS 45 -6.471 -1.857 -4.697 331 HD2 LYS 45 HD2 LYS 45 -8.719 -1.639 -5.275 332 HD3 LYS 45 HD1 LYS 45 -8.521 -3.385 -5.405 333 HE2 LYS 45 HE2 LYS 45 -9.431 -3.677 -3.141 334 HE3 LYS 45 HE1 LYS 45 -9.563 -1.930 -2.951 335 HZ1 LYS 45 HZ1 LYS 45 -11.015 -1.984 -4.980 336 HZ2 LYS 45 HZ2 LYS 45 -11.678 -2.696 -3.587 337 HZ3 LYS 45 HZ3 LYS 45 -11.050 -3.673 -4.827 338 HA PRO 46 HA PRO 46 -4.961 -2.008 0.832 339 HB2 PRO 46 HB2 PRO 46 -6.100 0.599 0.163 340 HB3 PRO 46 HB1 PRO 46 -4.505 0.233 0.834 341 HG2 PRO 46 HG2 PRO 46 -5.122 1.038 -1.858 342 HG3 PRO 46 HG1 PRO 46 -3.536 0.602 -1.204 343 HD2 PRO 46 HD2 PRO 46 -5.141 -0.918 -3.043 344 HD3 PRO 46 HD1 PRO 46 -3.580 -1.379 -2.340 345 H ILE 47 HN ILE 47 -6.662 -2.143 2.321 346 HA ILE 47 HA ILE 47 -9.388 -2.513 1.181 347 HB ILE 47 HB ILE 47 -8.490 -3.082 4.020 348 HG12 ILE 47 HG12 ILE 47 -8.423 -4.931 1.609 349 HG13 ILE 47 HG11 ILE 47 -7.012 -4.286 2.436 350 HG21 ILE 47 HG21 ILE 47 -10.911 -3.035 3.645 351 HG22 ILE 47 HG22 ILE 47 -10.396 -4.699 3.899 352 HG23 ILE 47 HG23 ILE 47 -10.744 -4.122 2.273 353 HD11 ILE 47 HD11 ILE 47 -7.133 -6.280 3.555 354 HD12 ILE 47 HD12 ILE 47 -8.864 -6.454 3.269 355 HD13 ILE 47 HD13 ILE 47 -8.286 -5.393 4.552 356 H GLY 48 HN GLY 48 -10.428 -0.564 1.087 357 HA2 GLY 48 HA2 GLY 48 -9.908 1.603 2.927 358 HA3 GLY 48 HA1 GLY 48 -11.227 1.543 1.759 359 H CYS 49 HN CYS 49 -11.331 2.423 4.564 360 HA CYS 49 HA CYS 49 -12.588 0.400 6.181 361 HB2 CYS 49 HB2 CYS 49 -11.600 2.593 7.005 362 HB3 CYS 49 HB1 CYS 49 -13.037 3.391 6.366 363 HG CYS 49 HG CYS 49 -12.928 1.694 8.908 364 H ASP 50 HN ASP 50 -13.665 2.256 3.500 365 HA ASP 50 HA ASP 50 -16.495 2.253 4.157 366 HB2 ASP 50 HB2 ASP 50 -14.962 2.660 1.578 367 HB3 ASP 50 HB1 ASP 50 -16.724 2.713 1.654 368 H CYS 51 HN CYS 51 -14.785 -0.320 4.118 369 HA CYS 51 HA CYS 51 -16.835 -1.968 2.731 370 HB2 CYS 51 HB2 CYS 51 -13.878 -2.494 2.354 371 HB3 CYS 51 HB1 CYS 51 -15.229 -3.251 1.510 372 HG CYS 51 HG CYS 51 -14.656 -0.200 1.128 373 H LYS 52 HN LYS 52 -16.120 -4.425 3.235 374 HA LYS 52 HA LYS 52 -15.992 -4.564 6.164 375 HB2 LYS 52 HB2 LYS 52 -16.088 -7.148 5.481 376 HB3 LYS 52 HB1 LYS 52 -17.528 -6.135 5.448 377 HG2 LYS 52 HG2 LYS 52 -15.833 -6.192 2.968 378 HG3 LYS 52 HG1 LYS 52 -16.793 -7.614 3.337 379 HD2 LYS 52 HD2 LYS 52 -18.830 -6.231 3.474 380 HD3 LYS 52 HD1 LYS 52 -17.881 -4.794 3.101 381 HE2 LYS 52 HE2 LYS 52 -18.802 -5.460 1.018 382 HE3 LYS 52 HE1 LYS 52 -17.138 -6.043 0.976 383 HZ1 LYS 52 HZ1 LYS 52 -19.315 -7.560 0.520 384 HZ2 LYS 52 HZ2 LYS 52 -19.008 -7.890 2.159 385 HZ3 LYS 52 HZ3 LYS 52 -17.801 -8.161 0.994 386 H ASP 53 HN ASP 53 -13.966 -4.357 7.017 387 HA ASP 53 HA ASP 53 -11.660 -5.640 5.628 388 HB2 ASP 53 HB2 ASP 53 -10.285 -4.332 7.220 389 HB3 ASP 53 HB1 ASP 53 -11.382 -3.294 6.309 390 H LEU 54 HN LEU 54 -11.752 -7.811 6.202 391 HA LEU 54 HA LEU 54 -12.427 -8.683 8.864 392 HB2 LEU 54 HB2 LEU 54 -12.408 -9.918 6.471 393 HB3 LEU 54 HB1 LEU 54 -10.814 -10.408 6.997 394 HG LEU 54 HG LEU 54 -13.455 -11.438 7.798 395 HD11 LEU 54 HD11 LEU 54 -11.837 -12.918 6.913 396 HD12 LEU 54 HD12 LEU 54 -12.014 -13.344 8.610 397 HD13 LEU 54 HD13 LEU 54 -10.616 -12.415 8.079 398 HD21 LEU 54 HD21 LEU 54 -13.354 -10.410 9.915 399 HD22 LEU 54 HD22 LEU 54 -11.599 -10.551 10.004 400 HD23 LEU 54 HD23 LEU 54 -12.606 -11.974 10.203 401 H SER 55 HN SER 55 -11.055 -8.662 10.617 402 HA SER 55 HA SER 55 -8.104 -8.408 10.114 403 HB2 SER 55 HB2 SER 55 -8.038 -7.398 12.398 404 HB3 SER 55 HB1 SER 55 -9.016 -6.468 11.267 405 HG SER 55 HG SER 55 -10.855 -7.530 12.136 406 H TYR 56 HN TYR 56 -6.905 -10.157 10.697 407 HA TYR 56 HA TYR 56 -7.726 -11.780 13.034 408 HB2 TYR 56 HB2 TYR 56 -8.664 -12.652 10.680 409 HB3 TYR 56 HB1 TYR 56 -7.038 -13.309 10.532 410 HD1 TYR 56 HD1 TYR 56 -6.143 -14.580 12.655 411 HD2 TYR 56 HD2 TYR 56 -10.295 -13.913 11.825 412 HE1 TYR 56 HE1 TYR 56 -6.736 -16.457 14.159 413 HE2 TYR 56 HE2 TYR 56 -10.892 -15.791 13.327 414 HH TYR 56 HH TYR 56 -9.170 -16.964 15.580 415 H LYS 57 HN LYS 57 -5.924 -12.547 14.119 416 HA LYS 57 HA LYS 57 -3.653 -12.583 14.716 417 HB2 LYS 57 HB2 LYS 57 -3.918 -14.553 13.148 418 HB3 LYS 57 HB1 LYS 57 -3.289 -13.528 11.863 419 HG2 LYS 57 HG2 LYS 57 -1.188 -13.253 13.036 420 HG3 LYS 57 HG1 LYS 57 -1.834 -14.036 14.474 421 HD2 LYS 57 HD2 LYS 57 -2.073 -16.145 13.250 422 HD3 LYS 57 HD1 LYS 57 -1.492 -15.372 11.774 423 HE2 LYS 57 HE2 LYS 57 0.684 -15.008 12.718 424 HE3 LYS 57 HE1 LYS 57 0.129 -15.467 14.328 425 HZ1 LYS 57 HZ1 LYS 57 0.256 -17.257 11.962 426 HZ2 LYS 57 HZ2 LYS 57 -0.291 -17.700 13.509 427 HZ3 LYS 57 HZ3 LYS 57 1.335 -17.268 13.271 428 H ASP 58 HN ASP 58 -4.274 -10.042 14.250 429 HA ASP 58 HA ASP 58 -3.425 -7.953 13.628 430 HB2 ASP 58 HB2 ASP 58 -1.480 -8.845 14.860 431 HB3 ASP 58 HB1 ASP 58 -0.866 -9.551 13.364 432 H ARG 59 HN ARG 59 -4.072 -10.133 11.390 433 HA ARG 59 HA ARG 59 -2.738 -8.663 9.138 434 HB2 ARG 59 HB2 ARG 59 -3.963 -11.432 9.267 435 HB3 ARG 59 HB1 ARG 59 -3.425 -10.664 7.776 436 HG2 ARG 59 HG2 ARG 59 -1.164 -10.585 8.514 437 HG3 ARG 59 HG1 ARG 59 -1.610 -10.982 10.167 438 HD2 ARG 59 HD2 ARG 59 -2.426 -13.200 9.379 439 HD3 ARG 59 HD1 ARG 59 -1.847 -12.801 7.764 440 HE ARG 59 HE ARG 59 0.379 -12.437 9.373 441 HH11 ARG 59 HH21 ARG 59 -1.920 -14.942 8.808 442 HH12 ARG 59 HH22 ARG 59 -0.803 -16.224 9.139 443 HH21 ARG 59 HH11 ARG 59 1.851 -14.095 9.808 444 HH22 ARG 59 HH12 ARG 59 1.332 -15.745 9.708 445 H HIS 60 HN HIS 60 -4.190 -8.435 7.173 446 HA HIS 60 HA HIS 60 -7.035 -7.912 8.006 447 HB2 HIS 60 HB2 HIS 60 -5.264 -6.327 6.123 448 HB3 HIS 60 HB1 HIS 60 -6.989 -6.045 6.347 449 HD2 HIS 60 HD2 HIS 60 -7.674 -4.693 8.725 450 HE1 HIS 60 HE1 HIS 60 -3.749 -4.356 10.244 451 HE2 HIS 60 HE2 HIS 60 -6.162 -3.639 10.575 452 H TRP 61 HN TRP 61 -8.635 -8.370 6.444 453 HA TRP 61 HA TRP 61 -7.883 -9.471 3.826 454 HB2 TRP 61 HB2 TRP 61 -8.603 -11.179 6.176 455 HB3 TRP 61 HB1 TRP 61 -9.380 -11.606 4.658 456 HD1 TRP 61 HD1 TRP 61 -7.383 -11.532 2.512 457 HE1 TRP 61 HE1 TRP 61 -5.178 -12.871 2.543 458 HE3 TRP 61 HE3 TRP 61 -6.882 -12.295 7.537 459 HZ2 TRP 61 HZ2 TRP 61 -3.432 -14.096 4.446 460 HZ3 TRP 61 HZ3 TRP 61 -4.939 -13.546 8.431 461 HH2 TRP 61 HH2 TRP 61 -3.218 -14.452 6.891 462 H HIS 62 HN HIS 62 -9.728 -9.556 2.428 463 HA HIS 62 HA HIS 62 -12.026 -7.967 3.294 464 HB2 HIS 62 HB2 HIS 62 -11.459 -9.596 0.800 465 HB3 HIS 62 HB1 HIS 62 -12.990 -8.786 1.055 466 HD2 HIS 62 HD2 HIS 62 -12.486 -5.836 1.614 467 HE1 HIS 62 HE1 HIS 62 -9.222 -5.842 -1.062 468 HE2 HIS 62 HE2 HIS 62 -10.861 -4.369 0.193 469 H GLU 63 HN GLU 63 -13.853 -8.885 4.301 470 HA GLU 63 HA GLU 63 -13.975 -11.386 5.441 471 HB2 GLU 63 HB2 GLU 63 -16.173 -9.645 4.322 472 HB3 GLU 63 HB1 GLU 63 -16.563 -11.199 5.057 473 HG2 GLU 63 HG2 GLU 63 -15.478 -10.527 7.138 474 HG3 GLU 63 HG1 GLU 63 -14.981 -8.997 6.415 475 H ALA 64 HN ALA 64 -14.496 -10.675 2.039 476 HA ALA 64 HA ALA 64 -15.511 -13.399 1.490 477 HB1 ALA 64 HB1 ALA 64 -14.871 -11.128 -0.410 478 HB2 ALA 64 HB2 ALA 64 -16.456 -11.452 0.292 479 HB3 ALA 64 HB3 ALA 64 -15.729 -12.613 -0.818 480 H CYS 65 HN CYS 65 -12.444 -11.737 1.435 481 HA CYS 65 HA CYS 65 -11.232 -13.563 -0.517 482 HB2 CYS 65 HB2 CYS 65 -10.149 -11.425 1.304 483 HB3 CYS 65 HB1 CYS 65 -9.076 -12.485 0.395 484 H PHE 66 HN PHE 66 -11.534 -13.398 2.966 485 HA PHE 66 HA PHE 66 -9.516 -15.399 3.507 486 HB2 PHE 66 HB2 PHE 66 -10.722 -13.616 5.050 487 HB3 PHE 66 HB1 PHE 66 -11.873 -14.917 5.316 488 HD1 PHE 66 HD2 PHE 66 -10.562 -17.317 5.624 489 HD2 PHE 66 HD1 PHE 66 -9.059 -13.446 6.667 490 HE1 PHE 66 HE2 PHE 66 -9.023 -18.365 7.244 491 HE2 PHE 66 HE1 PHE 66 -7.501 -14.489 8.293 492 HZ PHE 66 HZ PHE 66 -7.482 -16.953 8.575 493 H HIS 67 HN HIS 67 -9.847 -17.313 2.390 494 HA HIS 67 HA HIS 67 -12.227 -18.877 3.138 495 HB2 HIS 67 HB2 HIS 67 -12.613 -19.425 0.667 496 HB3 HIS 67 HB1 HIS 67 -13.098 -17.812 1.184 497 HD2 HIS 67 HD2 HIS 67 -9.846 -19.380 -0.519 498 HE1 HIS 67 HE1 HIS 67 -10.321 -15.389 -1.812 499 HE2 HIS 67 HE2 HIS 67 -8.911 -17.487 -2.055 500 H CYS 68 HN CYS 68 -12.078 -21.136 2.021 501 HA CYS 68 HA CYS 68 -9.398 -22.185 2.585 502 HB2 CYS 68 HB2 CYS 68 -11.220 -23.570 3.307 503 HB3 CYS 68 HB1 CYS 68 -12.020 -23.452 1.751 504 H SER 69 HN SER 69 -7.988 -23.070 1.012 505 HA SER 69 HA SER 69 -8.215 -21.946 -1.640 506 HB2 SER 69 HB2 SER 69 -6.077 -22.549 -0.323 507 HB3 SER 69 HB1 SER 69 -6.354 -24.195 -0.875 508 HG SER 69 HG SER 69 -6.177 -23.505 -2.973 509 H GLN 70 HN GLN 70 -9.220 -24.981 -0.228 510 HA GLN 70 HA GLN 70 -9.602 -26.207 -2.921 511 HB2 GLN 70 HB2 GLN 70 -10.127 -27.444 -0.210 512 HB3 GLN 70 HB1 GLN 70 -9.976 -28.279 -1.755 513 HG2 GLN 70 HG2 GLN 70 -7.723 -26.608 -0.654 514 HG3 GLN 70 HG1 GLN 70 -7.915 -28.290 -0.189 515 HE21 GLN 70 HE21 GLN 70 -6.240 -26.409 -2.293 516 HE22 GLN 70 HE22 GLN 70 -6.061 -27.491 -3.582 517 H CYS 71 HN CYS 71 -11.503 -25.559 0.029 518 HA CYS 71 HA CYS 71 -14.006 -26.129 -1.456 519 HB2 CYS 71 HB2 CYS 71 -13.894 -25.109 1.379 520 HB3 CYS 71 HB1 CYS 71 -15.085 -26.168 0.624 521 H ARG 72 HN ARG 72 -12.055 -23.453 -1.078 522 HA ARG 72 HA ARG 72 -12.442 -21.147 -1.198 523 HB2 ARG 72 HB2 ARG 72 -13.182 -22.178 -3.460 524 HB3 ARG 72 HB1 ARG 72 -14.824 -21.892 -2.891 525 HG2 ARG 72 HG2 ARG 72 -14.492 -19.535 -2.786 526 HG3 ARG 72 HG1 ARG 72 -12.740 -19.694 -2.927 527 HD2 ARG 72 HD2 ARG 72 -12.988 -20.573 -5.206 528 HD3 ARG 72 HD1 ARG 72 -14.741 -20.433 -5.076 529 HE ARG 72 HE ARG 72 -13.832 -17.874 -4.524 530 HH11 ARG 72 HH21 ARG 72 -13.391 -20.202 -7.028 531 HH12 ARG 72 HH22 ARG 72 -13.153 -19.018 -8.269 532 HH21 ARG 72 HH11 ARG 72 -13.520 -16.315 -6.129 533 HH22 ARG 72 HH12 ARG 72 -13.224 -16.817 -7.760 534 H ASN 73 HN ASN 73 -14.094 -22.840 0.802 535 HA ASN 73 HA ASN 73 -16.580 -21.406 1.166 536 HB2 ASN 73 HB2 ASN 73 -14.856 -23.184 2.880 537 HB3 ASN 73 HB1 ASN 73 -16.169 -22.278 3.634 538 HD21 ASN 73 HD21 ASN 73 -18.203 -23.219 3.540 539 HD22 ASN 73 HD22 ASN 73 -18.647 -24.470 2.487 540 H SER 74 HN SER 74 -16.942 -19.691 2.735 541 HA SER 74 HA SER 74 -14.591 -17.920 2.975 542 HB2 SER 74 HB2 SER 74 -17.416 -17.463 3.976 543 HB3 SER 74 HB1 SER 74 -16.166 -16.245 3.737 544 HG SER 74 HG SER 74 -17.100 -17.925 1.657 545 H LEU 75 HN LEU 75 -13.232 -18.775 4.606 546 HA LEU 75 HA LEU 75 -14.400 -19.634 7.162 547 HB2 LEU 75 HB2 LEU 75 -11.470 -19.120 6.717 548 HB3 LEU 75 HB1 LEU 75 -12.226 -20.268 7.802 549 HG LEU 75 HG LEU 75 -12.589 -20.557 4.808 550 HD11 LEU 75 HD11 LEU 75 -10.338 -21.843 6.341 551 HD12 LEU 75 HD12 LEU 75 -10.115 -20.360 5.414 552 HD13 LEU 75 HD13 LEU 75 -10.612 -21.833 4.606 553 HD21 LEU 75 HD21 LEU 75 -12.435 -22.550 7.077 554 HD22 LEU 75 HD22 LEU 75 -12.904 -22.886 5.410 555 HD23 LEU 75 HD23 LEU 75 -13.937 -21.887 6.433 556 H VAL 76 HN VAL 76 -15.033 -18.075 8.572 557 HA VAL 76 HA VAL 76 -13.217 -15.779 9.078 558 HB VAL 76 HB VAL 76 -16.184 -15.594 8.455 559 HG11 VAL 76 HG11 VAL 76 -15.883 -14.239 10.400 560 HG12 VAL 76 HG12 VAL 76 -15.810 -13.131 9.031 561 HG13 VAL 76 HG13 VAL 76 -14.324 -13.645 9.829 562 HG21 VAL 76 HG21 VAL 76 -14.761 -15.456 6.494 563 HG22 VAL 76 HG22 VAL 76 -13.677 -14.328 7.304 564 HG23 VAL 76 HG23 VAL 76 -15.310 -13.823 6.874 565 H ASP 77 HN ASP 77 -12.925 -15.615 11.277 566 HA ASP 77 HA ASP 77 -13.167 -16.195 13.543 567 HB2 ASP 77 HB2 ASP 77 -15.062 -14.659 13.429 568 HB3 ASP 77 HB1 ASP 77 -16.088 -15.923 12.755 569 H LYS 78 HN LYS 78 -13.515 -18.230 11.175 570 HA LYS 78 HA LYS 78 -14.645 -20.498 12.768 571 HB2 LYS 78 HB2 LYS 78 -14.533 -19.825 9.847 572 HB3 LYS 78 HB1 LYS 78 -14.430 -21.531 10.272 573 HG2 LYS 78 HG2 LYS 78 -16.525 -21.298 11.601 574 HG3 LYS 78 HG1 LYS 78 -16.644 -19.616 11.087 575 HD2 LYS 78 HD2 LYS 78 -16.371 -21.766 8.989 576 HD3 LYS 78 HD1 LYS 78 -17.937 -21.512 9.754 577 HE2 LYS 78 HE2 LYS 78 -16.327 -19.300 8.455 578 HE3 LYS 78 HE1 LYS 78 -17.611 -20.188 7.641 579 HZ1 LYS 78 HZ1 LYS 78 -18.686 -18.343 8.499 580 HZ2 LYS 78 HZ2 LYS 78 -17.801 -18.361 9.950 581 HZ3 LYS 78 HZ3 LYS 78 -19.003 -19.529 9.669 582 HA PRO 79 HA PRO 79 -10.538 -22.112 13.100 583 HB2 PRO 79 HB2 PRO 79 -11.063 -24.846 12.467 584 HB3 PRO 79 HB1 PRO 79 -11.045 -24.122 14.078 585 HG2 PRO 79 HG2 PRO 79 -13.362 -24.957 12.467 586 HG3 PRO 79 HG1 PRO 79 -13.300 -24.550 14.188 587 HD2 PRO 79 HD2 PRO 79 -14.418 -22.938 12.133 588 HD3 PRO 79 HD1 PRO 79 -14.062 -22.428 13.796 589 H PHE 80 HN PHE 80 -8.817 -22.210 11.658 590 HA PHE 80 HA PHE 80 -9.162 -23.457 9.004 591 HB2 PHE 80 HB2 PHE 80 -8.316 -21.453 7.793 592 HB3 PHE 80 HB1 PHE 80 -9.900 -21.173 8.528 593 HD1 PHE 80 HD1 PHE 80 -6.221 -20.649 9.039 594 HD2 PHE 80 HD2 PHE 80 -10.194 -19.426 10.096 595 HE1 PHE 80 HE1 PHE 80 -5.302 -18.731 10.313 596 HE2 PHE 80 HE2 PHE 80 -9.274 -17.511 11.370 597 HZ PHE 80 HZ PHE 80 -6.820 -17.161 11.474 598 H ALA 81 HN ALA 81 -7.144 -23.930 8.000 599 HA ALA 81 HA ALA 81 -4.849 -23.902 9.895 600 HB1 ALA 81 HB1 ALA 81 -3.929 -25.655 8.617 601 HB2 ALA 81 HB2 ALA 81 -4.859 -25.227 7.181 602 HB3 ALA 81 HB3 ALA 81 -5.658 -25.991 8.556 603 H ALA 82 HN ALA 82 -3.543 -22.165 9.707 604 HA ALA 82 HA ALA 82 -3.542 -20.523 7.293 605 HB1 ALA 82 HB1 ALA 82 -3.301 -19.303 9.310 606 HB2 ALA 82 HB2 ALA 82 -1.689 -19.292 8.605 607 HB3 ALA 82 HB3 ALA 82 -2.067 -20.397 9.927 608 H LYS 83 HN LYS 83 -2.519 -21.404 5.560 609 HA LYS 83 HA LYS 83 0.034 -22.865 5.919 610 HB2 LYS 83 HB2 LYS 83 -1.509 -23.888 4.372 611 HB3 LYS 83 HB1 LYS 83 -1.732 -22.373 3.509 612 HG2 LYS 83 HG2 LYS 83 0.401 -22.445 2.537 613 HG3 LYS 83 HG1 LYS 83 1.017 -23.578 3.743 614 HD2 LYS 83 HD2 LYS 83 -0.297 -25.380 2.824 615 HD3 LYS 83 HD1 LYS 83 -1.152 -24.275 1.746 616 HE2 LYS 83 HE2 LYS 83 1.844 -24.722 1.650 617 HE3 LYS 83 HE1 LYS 83 0.696 -25.585 0.628 618 HZ1 LYS 83 HZ1 LYS 83 1.446 -23.739 -0.605 619 HZ2 LYS 83 HZ2 LYS 83 1.230 -22.671 0.699 620 HZ3 LYS 83 HZ3 LYS 83 -0.119 -23.342 -0.087 621 H GLU 84 HN GLU 84 1.887 -22.182 4.539 622 HA GLU 84 HA GLU 84 2.911 -19.733 5.057 623 HB2 GLU 84 HB2 GLU 84 3.184 -21.346 2.521 624 HB3 GLU 84 HB1 GLU 84 4.152 -19.907 2.831 625 HG2 GLU 84 HG2 GLU 84 5.105 -20.883 4.819 626 HG3 GLU 84 HG1 GLU 84 3.990 -22.248 4.745 627 H ASP 85 HN ASP 85 1.148 -20.268 1.946 628 HA ASP 85 HA ASP 85 0.488 -17.333 1.978 629 HB2 ASP 85 HB2 ASP 85 1.493 -19.153 -0.195 630 HB3 ASP 85 HB1 ASP 85 0.454 -17.802 -0.632 631 H GLN 86 HN GLN 86 -0.876 -20.322 2.349 632 HA GLN 86 HA GLN 86 -3.448 -19.426 1.065 633 HB2 GLN 86 HB2 GLN 86 -2.578 -22.303 1.356 634 HB3 GLN 86 HB1 GLN 86 -3.931 -21.672 0.427 635 HG2 GLN 86 HG2 GLN 86 -1.070 -20.895 -0.176 636 HG3 GLN 86 HG1 GLN 86 -1.839 -22.306 -0.884 637 HE21 GLN 86 HE21 GLN 86 -4.292 -20.102 -0.394 638 HE22 GLN 86 HE22 GLN 86 -4.299 -19.354 -1.917 639 H LEU 87 HN LEU 87 -5.341 -20.638 1.960 640 HA LEU 87 HA LEU 87 -5.088 -21.242 4.868 641 HB2 LEU 87 HB2 LEU 87 -7.067 -19.422 3.469 642 HB3 LEU 87 HB1 LEU 87 -7.485 -20.212 4.987 643 HG LEU 87 HG LEU 87 -4.867 -18.741 4.804 644 HD11 LEU 87 HD11 LEU 87 -7.601 -17.496 4.961 645 HD12 LEU 87 HD12 LEU 87 -6.201 -16.981 4.025 646 HD13 LEU 87 HD13 LEU 87 -6.231 -16.736 5.771 647 HD21 LEU 87 HD21 LEU 87 -6.754 -18.766 7.136 648 HD22 LEU 87 HD22 LEU 87 -4.997 -18.685 7.122 649 HD23 LEU 87 HD23 LEU 87 -5.809 -20.207 6.780 650 H LEU 88 HN LEU 88 -6.166 -23.104 5.420 651 HA LEU 88 HA LEU 88 -8.007 -24.331 3.391 652 HB2 LEU 88 HB2 LEU 88 -5.636 -25.571 4.810 653 HB3 LEU 88 HB1 LEU 88 -6.876 -26.530 4.013 654 HG LEU 88 HG LEU 88 -5.593 -24.308 2.439 655 HD11 LEU 88 HD11 LEU 88 -3.642 -25.378 3.395 656 HD12 LEU 88 HD12 LEU 88 -3.798 -25.881 1.712 657 HD13 LEU 88 HD13 LEU 88 -4.282 -26.975 3.008 658 HD21 LEU 88 HD21 LEU 88 -7.407 -25.582 1.428 659 HD22 LEU 88 HD22 LEU 88 -6.571 -27.097 1.771 660 HD23 LEU 88 HD23 LEU 88 -5.892 -25.958 0.608 661 H CYS 89 HN CYS 89 -9.269 -26.182 4.425 662 HA CYS 89 HA CYS 89 -10.234 -25.311 7.071 663 HB2 CYS 89 HB2 CYS 89 -11.152 -27.760 5.542 664 HB3 CYS 89 HB1 CYS 89 -12.040 -26.832 6.746 665 H THR 90 HN THR 90 -9.807 -26.444 8.977 666 HA THR 90 HA THR 90 -7.506 -28.001 9.246 667 HB THR 90 HB THR 90 -8.402 -27.347 11.302 668 HG1 THR 90 HG1 THR 90 -8.274 -29.900 10.831 669 HG21 THR 90 HG21 THR 90 -10.590 -26.671 10.594 670 HG22 THR 90 HG22 THR 90 -10.819 -27.832 11.901 671 HG23 THR 90 HG23 THR 90 -11.051 -28.333 10.226 672 H ASP 91 HN ASP 91 -10.433 -28.867 7.756 673 HA ASP 91 HA ASP 91 -10.066 -31.775 8.074 674 HB2 ASP 91 HB2 ASP 91 -11.893 -30.358 6.131 675 HB3 ASP 91 HB1 ASP 91 -12.046 -32.001 6.747 676 H CYS 92 HN CYS 92 -9.832 -29.347 5.469 677 HA CYS 92 HA CYS 92 -8.703 -31.226 3.566 678 HB2 CYS 92 HB2 CYS 92 -8.330 -28.234 3.414 679 HB3 CYS 92 HB1 CYS 92 -8.532 -29.387 2.096 680 H TYR 93 HN TYR 93 -7.398 -28.752 5.754 681 HA TYR 93 HA TYR 93 -4.680 -28.899 4.969 682 HB2 TYR 93 HB2 TYR 93 -5.752 -27.281 6.606 683 HB3 TYR 93 HB1 TYR 93 -5.673 -28.565 7.805 684 HD1 TYR 93 HD2 TYR 93 -3.514 -26.698 5.363 685 HD2 TYR 93 HD1 TYR 93 -3.719 -28.886 9.055 686 HE1 TYR 93 HE2 TYR 93 -1.135 -26.164 5.816 687 HE2 TYR 93 HE1 TYR 93 -1.343 -28.361 9.502 688 HH TYR 93 HH TYR 93 0.781 -27.516 7.404 689 H SER 94 HN SER 94 -6.423 -30.716 7.472 690 HA SER 94 HA SER 94 -4.259 -32.348 8.311 691 HB2 SER 94 HB2 SER 94 -6.189 -32.441 9.670 692 HB3 SER 94 HB1 SER 94 -7.252 -32.729 8.296 693 HG SER 94 HG SER 94 -6.168 -34.514 9.867 694 H ASN 95 HN ASN 95 -6.171 -32.415 5.414 695 HA ASN 95 HA ASN 95 -5.634 -35.180 4.720 696 HB2 ASN 95 HB2 ASN 95 -7.493 -33.661 3.787 697 HB3 ASN 95 HB1 ASN 95 -6.244 -32.963 2.756 698 HD21 ASN 95 HD21 ASN 95 -7.708 -36.136 3.618 699 HD22 ASN 95 HD22 ASN 95 -7.412 -36.852 2.107 700 H GLU 96 HN GLU 96 -4.023 -32.095 4.138 701 HA GLU 96 HA GLU 96 -2.003 -33.400 2.393 702 HB2 GLU 96 HB2 GLU 96 -1.550 -30.574 3.210 703 HB3 GLU 96 HB1 GLU 96 -1.554 -31.288 1.598 704 HG2 GLU 96 HG2 GLU 96 -3.995 -30.560 3.243 705 HG3 GLU 96 HG1 GLU 96 -3.408 -29.717 1.814 706 H TYR 97 HN TYR 97 -2.276 -31.819 5.549 707 HA TYR 97 HA TYR 97 0.506 -32.094 6.256 708 HB2 TYR 97 HB2 TYR 97 -0.795 -30.533 7.519 709 HB3 TYR 97 HB1 TYR 97 -2.049 -31.724 7.841 710 HD1 TYR 97 HD1 TYR 97 -1.491 -33.730 9.319 711 HD2 TYR 97 HD2 TYR 97 1.065 -30.287 8.981 712 HE1 TYR 97 HE1 TYR 97 -0.349 -34.365 11.427 713 HE2 TYR 97 HE2 TYR 97 2.203 -30.927 11.089 714 HH TYR 97 HH TYR 97 2.408 -32.482 12.668 715 H SER 98 HN SER 98 -2.308 -34.134 6.337 716 HA SER 98 HA SER 98 -2.626 -36.338 7.120 717 HB2 SER 98 HB2 SER 98 -1.167 -36.561 5.059 718 HB3 SER 98 HB1 SER 98 0.221 -36.663 6.139 719 HG SER 98 HG SER 98 -0.860 -38.700 5.447 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -12.208 28.257 -0.700 2 H2 MET 1 HT2 MET 1 -11.699 28.772 -2.236 3 H3 MET 1 HT3 MET 1 -13.354 28.745 -1.851 4 HA MET 1 HA MET 1 -13.086 30.913 -1.427 5 HB2 MET 1 HB2 MET 1 -11.693 29.718 0.990 6 HB3 MET 1 HB1 MET 1 -12.380 31.340 0.907 7 HG2 MET 1 HG2 MET 1 -14.058 30.007 1.945 8 HG3 MET 1 HG1 MET 1 -14.591 30.208 0.276 9 HE1 MET 1 HE1 MET 1 -12.573 28.285 2.709 10 HE2 MET 1 HE2 MET 1 -12.801 26.576 2.348 11 HE3 MET 1 HE3 MET 1 -14.130 27.509 3.031 12 H THR 2 HN THR 2 -11.000 32.216 0.135 13 HA THR 2 HA THR 2 -9.208 32.973 -1.906 14 HB THR 2 HB THR 2 -9.604 34.229 0.233 15 HG1 THR 2 HG1 THR 2 -7.255 33.771 -1.036 16 HG21 THR 2 HG21 THR 2 -8.573 33.547 2.259 17 HG22 THR 2 HG22 THR 2 -7.605 32.320 1.443 18 HG23 THR 2 HG23 THR 2 -9.344 32.093 1.628 19 H GLU 3 HN GLU 3 -8.815 30.537 0.649 20 HA GLU 3 HA GLU 3 -6.124 29.812 -0.090 21 HB2 GLU 3 HB2 GLU 3 -6.446 27.919 1.380 22 HB3 GLU 3 HB1 GLU 3 -7.224 29.312 2.126 23 HG2 GLU 3 HG2 GLU 3 -9.378 28.510 0.948 24 HG3 GLU 3 HG1 GLU 3 -8.520 26.990 0.688 25 H ARG 4 HN ARG 4 -5.834 27.318 -0.660 26 HA ARG 4 HA ARG 4 -7.182 26.972 -3.275 27 HB2 ARG 4 HB2 ARG 4 -4.821 25.563 -2.012 28 HB3 ARG 4 HB1 ARG 4 -5.381 25.328 -3.662 29 HG2 ARG 4 HG2 ARG 4 -4.621 28.051 -2.574 30 HG3 ARG 4 HG1 ARG 4 -3.446 26.988 -3.336 31 HD2 ARG 4 HD2 ARG 4 -5.551 27.014 -5.182 32 HD3 ARG 4 HD1 ARG 4 -5.524 28.667 -4.586 33 HE ARG 4 HE ARG 4 -3.731 27.639 -6.479 34 HH11 ARG 4 HH21 ARG 4 -3.533 29.130 -3.368 35 HH12 ARG 4 HH22 ARG 4 -1.929 29.724 -3.618 36 HH21 ARG 4 HH11 ARG 4 -1.651 28.419 -6.812 37 HH22 ARG 4 HH12 ARG 4 -0.867 29.328 -5.563 38 H PHE 5 HN PHE 5 -8.488 25.222 -3.711 39 HA PHE 5 HA PHE 5 -9.031 23.314 -1.459 40 HB2 PHE 5 HB2 PHE 5 -10.809 25.084 -2.293 41 HB3 PHE 5 HB1 PHE 5 -11.043 23.948 -3.613 42 HD1 PHE 5 HD1 PHE 5 -10.906 24.180 0.106 43 HD2 PHE 5 HD2 PHE 5 -12.412 22.048 -3.296 44 HE1 PHE 5 HE1 PHE 5 -12.309 22.796 1.600 45 HE2 PHE 5 HE2 PHE 5 -13.825 20.658 -1.799 46 HZ PHE 5 HZ PHE 5 -13.769 21.023 0.645 47 H ASP 6 HN ASP 6 -7.092 22.323 -2.744 48 HA ASP 6 HA ASP 6 -8.256 20.373 -4.688 49 HB2 ASP 6 HB2 ASP 6 -5.459 21.452 -5.047 50 HB3 ASP 6 HB1 ASP 6 -6.461 20.573 -6.204 51 H CYS 7 HN CYS 7 -7.295 18.327 -4.623 52 HA CYS 7 HA CYS 7 -6.362 17.477 -2.087 53 HB2 CYS 7 HB2 CYS 7 -7.327 15.858 -3.510 54 HB3 CYS 7 HB1 CYS 7 -6.269 16.272 -4.842 55 H HIS 8 HN HIS 8 -4.507 18.465 -1.321 56 HA HIS 8 HA HIS 8 -2.381 19.561 -2.694 57 HB2 HIS 8 HB2 HIS 8 -2.776 19.516 -0.197 58 HB3 HIS 8 HB1 HIS 8 -2.013 17.945 -0.168 59 HD2 HIS 8 HD2 HIS 8 -0.927 21.531 0.179 60 HE1 HIS 8 HE1 HIS 8 2.468 19.522 -1.326 61 HE2 HIS 8 HE2 HIS 8 1.641 21.678 -0.269 62 H HIS 9 HN HIS 9 -3.111 16.172 -2.402 63 HA HIS 9 HA HIS 9 -0.374 15.404 -3.207 64 HB2 HIS 9 HB2 HIS 9 -1.477 13.979 -1.605 65 HB3 HIS 9 HB1 HIS 9 -2.857 13.767 -2.659 66 HD2 HIS 9 HD2 HIS 9 -1.719 10.913 -2.298 67 HE1 HIS 9 HE1 HIS 9 0.902 11.535 -5.546 68 HE2 HIS 9 HE2 HIS 9 -0.147 9.778 -4.044 69 H CYS 10 HN CYS 10 -3.603 14.570 -4.620 70 HA CYS 10 HA CYS 10 -2.344 14.178 -7.242 71 HB2 CYS 10 HB2 CYS 10 -5.309 14.334 -6.691 72 HB3 CYS 10 HB1 CYS 10 -4.497 13.480 -7.998 73 H ASN 11 HN ASN 11 -3.387 16.814 -5.525 74 HA ASN 11 HA ASN 11 -3.869 19.028 -6.052 75 HB2 ASN 11 HB2 ASN 11 -1.718 19.016 -7.079 76 HB3 ASN 11 HB1 ASN 11 -2.330 18.160 -8.484 77 HD21 ASN 11 HD21 ASN 11 -2.469 21.300 -6.787 78 HD22 ASN 11 HD22 ASN 11 -2.964 22.194 -8.142 79 H GLU 12 HN GLU 12 -5.689 16.722 -7.026 80 HA GLU 12 HA GLU 12 -7.071 18.080 -9.281 81 HB2 GLU 12 HB2 GLU 12 -8.422 16.098 -9.448 82 HB3 GLU 12 HB1 GLU 12 -6.763 15.554 -9.206 83 HG2 GLU 12 HG2 GLU 12 -7.307 15.448 -6.716 84 HG3 GLU 12 HG1 GLU 12 -8.991 15.656 -7.160 85 H SER 13 HN SER 13 -8.941 19.262 -8.970 86 HA SER 13 HA SER 13 -9.655 20.336 -6.497 87 HB2 SER 13 HB2 SER 13 -10.510 21.009 -8.810 88 HB3 SER 13 HB1 SER 13 -11.697 19.720 -8.634 89 HG SER 13 HG SER 13 -12.726 21.371 -7.731 90 H LEU 14 HN LEU 14 -10.846 19.592 -4.736 91 HA LEU 14 HA LEU 14 -11.335 16.807 -4.406 92 HB2 LEU 14 HB2 LEU 14 -12.558 19.205 -3.035 93 HB3 LEU 14 HB1 LEU 14 -12.897 17.565 -2.548 94 HG LEU 14 HG LEU 14 -11.151 18.549 -1.169 95 HD11 LEU 14 HD11 LEU 14 -11.158 16.060 -2.092 96 HD12 LEU 14 HD12 LEU 14 -9.834 16.668 -1.103 97 HD13 LEU 14 HD13 LEU 14 -9.655 16.589 -2.853 98 HD21 LEU 14 HD21 LEU 14 -10.347 20.041 -3.099 99 HD22 LEU 14 HD22 LEU 14 -9.378 18.646 -3.584 100 HD23 LEU 14 HD23 LEU 14 -9.133 19.385 -2.005 101 H PHE 15 HN PHE 15 -12.993 15.563 -5.064 102 HA PHE 15 HA PHE 15 -14.814 16.671 -7.025 103 HB2 PHE 15 HB2 PHE 15 -15.493 14.301 -7.301 104 HB3 PHE 15 HB1 PHE 15 -13.753 14.534 -7.400 105 HD1 PHE 15 HD2 PHE 15 -12.323 14.079 -5.274 106 HD2 PHE 15 HD1 PHE 15 -16.434 12.876 -5.681 107 HE1 PHE 15 HE2 PHE 15 -12.046 12.486 -3.403 108 HE2 PHE 15 HE1 PHE 15 -16.144 11.267 -3.816 109 HZ PHE 15 HZ PHE 15 -13.951 11.075 -2.676 110 H GLY 16 HN GLY 16 -16.452 17.894 -6.087 111 HA2 GLY 16 HA2 GLY 16 -18.468 18.291 -4.937 112 HA3 GLY 16 HA1 GLY 16 -18.843 16.705 -5.588 113 H LYS 17 HN LYS 17 -16.299 16.479 -3.263 114 HA LYS 17 HA LYS 17 -18.356 15.834 -1.148 115 HB2 LYS 17 HB2 LYS 17 -17.736 13.780 -2.301 116 HB3 LYS 17 HB1 LYS 17 -16.028 14.118 -2.030 117 HG2 LYS 17 HG2 LYS 17 -16.184 13.763 0.289 118 HG3 LYS 17 HG1 LYS 17 -17.935 13.970 0.306 119 HD2 LYS 17 HD2 LYS 17 -16.742 11.703 -1.286 120 HD3 LYS 17 HD1 LYS 17 -16.882 11.543 0.463 121 HE2 LYS 17 HE2 LYS 17 -19.259 12.438 -1.160 122 HE3 LYS 17 HE1 LYS 17 -18.861 10.726 -1.032 123 HZ1 LYS 17 HZ1 LYS 17 -20.380 11.316 0.703 124 HZ2 LYS 17 HZ2 LYS 17 -19.387 12.597 1.212 125 HZ3 LYS 17 HZ3 LYS 17 -18.868 10.990 1.401 126 H LYS 18 HN LYS 18 -17.593 15.646 0.990 127 HA LYS 18 HA LYS 18 -15.979 17.732 1.934 128 HB2 LYS 18 HB2 LYS 18 -16.775 15.064 3.105 129 HB3 LYS 18 HB1 LYS 18 -15.713 16.154 4.000 130 HG2 LYS 18 HG2 LYS 18 -17.354 17.831 4.158 131 HG3 LYS 18 HG1 LYS 18 -18.305 17.158 2.840 132 HD2 LYS 18 HD2 LYS 18 -19.012 15.295 4.191 133 HD3 LYS 18 HD1 LYS 18 -17.875 15.723 5.470 134 HE2 LYS 18 HE2 LYS 18 -20.069 17.597 4.567 135 HE3 LYS 18 HE1 LYS 18 -20.307 16.416 5.856 136 HZ1 LYS 18 HZ1 LYS 18 -19.210 18.921 6.106 137 HZ2 LYS 18 HZ2 LYS 18 -17.885 17.862 6.210 138 HZ3 LYS 18 HZ3 LYS 18 -19.200 17.690 7.272 139 H TYR 19 HN TYR 19 -13.856 17.327 3.184 140 HA TYR 19 HA TYR 19 -12.126 15.312 1.831 141 HB2 TYR 19 HB2 TYR 19 -10.518 16.994 1.160 142 HB3 TYR 19 HB1 TYR 19 -12.102 17.418 0.512 143 HD1 TYR 19 HD1 TYR 19 -13.584 19.007 1.949 144 HD2 TYR 19 HD2 TYR 19 -9.346 18.564 2.458 145 HE1 TYR 19 HE1 TYR 19 -13.503 21.181 3.134 146 HE2 TYR 19 HE2 TYR 19 -9.262 20.746 3.641 147 HH TYR 19 HH TYR 19 -10.437 22.443 4.449 148 H ILE 20 HN ILE 20 -10.066 15.050 2.856 149 HA ILE 20 HA ILE 20 -10.137 15.701 5.779 150 HB ILE 20 HB ILE 20 -8.697 13.512 4.254 151 HG12 ILE 20 HG12 ILE 20 -10.923 13.086 6.247 152 HG13 ILE 20 HG11 ILE 20 -11.317 13.479 4.578 153 HG21 ILE 20 HG21 ILE 20 -7.397 14.027 6.170 154 HG22 ILE 20 HG22 ILE 20 -8.373 12.638 6.645 155 HG23 ILE 20 HG23 ILE 20 -8.825 14.257 7.180 156 HD11 ILE 20 HD11 ILE 20 -9.438 11.228 5.320 157 HD12 ILE 20 HD12 ILE 20 -10.172 11.548 3.749 158 HD13 ILE 20 HD13 ILE 20 -11.171 10.995 5.093 159 H LEU 21 HN LEU 21 -8.410 16.845 6.636 160 HA LEU 21 HA LEU 21 -6.357 17.809 4.737 161 HB2 LEU 21 HB2 LEU 21 -6.804 18.398 7.682 162 HB3 LEU 21 HB1 LEU 21 -5.452 19.035 6.735 163 HG LEU 21 HG LEU 21 -7.393 20.621 6.947 164 HD11 LEU 21 HD11 LEU 21 -5.719 20.410 4.920 165 HD12 LEU 21 HD12 LEU 21 -7.131 21.451 4.789 166 HD13 LEU 21 HD13 LEU 21 -7.147 19.857 4.050 167 HD21 LEU 21 HD21 LEU 21 -9.479 20.173 5.946 168 HD22 LEU 21 HD22 LEU 21 -9.079 18.656 6.749 169 HD23 LEU 21 HD23 LEU 21 -8.846 18.823 5.007 170 H ARG 22 HN ARG 22 -4.817 16.378 4.346 171 HA ARG 22 HA ARG 22 -3.880 14.587 6.526 172 HB2 ARG 22 HB2 ARG 22 -4.623 13.392 4.534 173 HB3 ARG 22 HB1 ARG 22 -3.638 14.428 3.527 174 HG2 ARG 22 HG2 ARG 22 -2.641 12.190 3.937 175 HG3 ARG 22 HG1 ARG 22 -1.627 13.537 4.419 176 HD2 ARG 22 HD2 ARG 22 -2.393 13.141 6.777 177 HD3 ARG 22 HD1 ARG 22 -3.399 11.827 6.194 178 HE ARG 22 HE ARG 22 -0.814 11.214 5.339 179 HH11 ARG 22 HH21 ARG 22 -2.399 11.959 8.309 180 HH12 ARG 22 HH22 ARG 22 -1.324 11.005 9.276 181 HH21 ARG 22 HH11 ARG 22 0.599 9.965 6.583 182 HH22 ARG 22 HH12 ARG 22 0.375 9.877 8.298 183 H GLU 23 HN GLU 23 -1.753 14.766 7.231 184 HA GLU 23 HA GLU 23 0.303 15.868 7.560 185 HB2 GLU 23 HB2 GLU 23 0.157 15.789 4.526 186 HB3 GLU 23 HB1 GLU 23 1.588 16.300 5.421 187 HG2 GLU 23 HG2 GLU 23 0.252 13.633 5.910 188 HG3 GLU 23 HG1 GLU 23 1.523 13.842 4.706 189 H GLU 24 HN GLU 24 -2.079 17.405 7.662 190 HA GLU 24 HA GLU 24 -2.779 19.633 7.729 191 HB2 GLU 24 HB2 GLU 24 0.090 20.382 7.105 192 HB3 GLU 24 HB1 GLU 24 -1.109 21.318 7.991 193 HG2 GLU 24 HG2 GLU 24 0.088 20.457 9.784 194 HG3 GLU 24 HG1 GLU 24 -1.103 19.173 9.595 195 H SER 25 HN SER 25 -2.826 18.137 5.225 196 HA SER 25 HA SER 25 -3.039 20.450 3.417 197 HB2 SER 25 HB2 SER 25 -1.653 18.002 2.358 198 HB3 SER 25 HB1 SER 25 -1.578 19.657 1.768 199 HG SER 25 HG SER 25 -0.197 18.413 3.827 200 HA PRO 26 HA PRO 26 -6.782 18.210 2.463 201 HB2 PRO 26 HB2 PRO 26 -7.096 19.242 -0.187 202 HB3 PRO 26 HB1 PRO 26 -7.837 19.874 1.284 203 HG2 PRO 26 HG2 PRO 26 -5.588 20.972 -0.259 204 HG3 PRO 26 HG1 PRO 26 -6.548 21.749 1.005 205 HD2 PRO 26 HD2 PRO 26 -3.882 20.822 1.280 206 HD3 PRO 26 HD1 PRO 26 -4.965 21.304 2.603 207 H TYR 27 HN TYR 27 -6.862 16.107 1.842 208 HA TYR 27 HA TYR 27 -5.394 15.234 -0.632 209 HB2 TYR 27 HB2 TYR 27 -5.702 13.981 2.095 210 HB3 TYR 27 HB1 TYR 27 -5.674 12.910 0.708 211 HD1 TYR 27 HD2 TYR 27 -3.553 15.864 0.321 212 HD2 TYR 27 HD1 TYR 27 -3.750 11.935 1.916 213 HE1 TYR 27 HE2 TYR 27 -1.127 15.850 0.405 214 HE2 TYR 27 HE1 TYR 27 -1.291 11.894 2.039 215 HH TYR 27 HH TYR 27 0.648 13.067 0.795 216 H CYS 28 HN CYS 28 -6.699 13.975 -2.042 217 HA CYS 28 HA CYS 28 -9.542 14.317 -1.745 218 HB2 CYS 28 HB2 CYS 28 -9.745 12.782 -3.668 219 HB3 CYS 28 HB1 CYS 28 -8.516 13.995 -3.966 220 H VAL 29 HN VAL 29 -11.094 12.714 -1.108 221 HA VAL 29 HA VAL 29 -10.628 11.241 1.165 222 HB VAL 29 HB VAL 29 -12.408 10.181 -1.039 223 HG11 VAL 29 HG11 VAL 29 -12.218 8.866 1.038 224 HG12 VAL 29 HG12 VAL 29 -13.828 9.567 0.871 225 HG13 VAL 29 HG13 VAL 29 -12.661 10.292 1.977 226 HG21 VAL 29 HG21 VAL 29 -12.731 12.612 0.731 227 HG22 VAL 29 HG22 VAL 29 -14.112 11.787 0.010 228 HG23 VAL 29 HG23 VAL 29 -12.883 12.515 -1.024 229 H VAL 30 HN VAL 30 -10.616 9.785 -2.092 230 HA VAL 30 HA VAL 30 -9.770 7.230 -1.498 231 HB VAL 30 HB VAL 30 -8.592 8.802 -3.790 232 HG11 VAL 30 HG11 VAL 30 -7.827 6.497 -3.538 233 HG12 VAL 30 HG12 VAL 30 -8.890 6.621 -4.940 234 HG13 VAL 30 HG13 VAL 30 -9.495 5.933 -3.433 235 HG21 VAL 30 HG21 VAL 30 -10.895 9.407 -3.833 236 HG22 VAL 30 HG22 VAL 30 -11.408 7.787 -3.358 237 HG23 VAL 30 HG23 VAL 30 -10.749 8.068 -4.970 238 H CYS 31 HN CYS 31 -7.545 9.991 -2.111 239 HA CYS 31 HA CYS 31 -5.118 8.696 -1.788 240 HB2 CYS 31 HB2 CYS 31 -6.055 11.451 -1.179 241 HB3 CYS 31 HB1 CYS 31 -4.544 10.971 -0.418 242 H PHE 32 HN PHE 32 -6.713 10.358 0.949 243 HA PHE 32 HA PHE 32 -5.138 9.366 2.999 244 HB2 PHE 32 HB2 PHE 32 -7.087 10.974 3.229 245 HB3 PHE 32 HB1 PHE 32 -8.154 9.574 3.209 246 HD1 PHE 32 HD1 PHE 32 -7.848 7.760 4.942 247 HD2 PHE 32 HD2 PHE 32 -5.913 11.597 5.248 248 HE1 PHE 32 HE1 PHE 32 -7.451 7.374 7.359 249 HE2 PHE 32 HE2 PHE 32 -5.524 11.200 7.660 250 HZ PHE 32 HZ PHE 32 -6.290 9.093 8.716 251 H GLU 33 HN GLU 33 -7.974 7.639 1.604 252 HA GLU 33 HA GLU 33 -7.612 5.366 3.354 253 HB2 GLU 33 HB2 GLU 33 -9.001 5.261 0.677 254 HB3 GLU 33 HB1 GLU 33 -9.348 4.338 2.138 255 HG2 GLU 33 HG2 GLU 33 -9.776 6.739 3.175 256 HG3 GLU 33 HG1 GLU 33 -10.026 7.186 1.495 257 H THR 34 HN THR 34 -7.178 5.560 -0.187 258 HA THR 34 HA THR 34 -5.880 3.107 -0.507 259 HB THR 34 HB THR 34 -6.615 4.965 -2.236 260 HG1 THR 34 HG1 THR 34 -5.085 2.773 -2.307 261 HG21 THR 34 HG21 THR 34 -4.845 6.226 -3.202 262 HG22 THR 34 HG22 THR 34 -3.624 5.372 -2.258 263 HG23 THR 34 HG23 THR 34 -4.730 6.488 -1.466 264 H LEU 35 HN LEU 35 -4.338 6.222 0.294 265 HA LEU 35 HA LEU 35 -1.656 5.344 0.188 266 HB2 LEU 35 HB2 LEU 35 -2.943 7.358 2.037 267 HB3 LEU 35 HB1 LEU 35 -1.206 7.146 1.860 268 HG LEU 35 HG LEU 35 -2.987 7.740 -0.512 269 HD11 LEU 35 HD11 LEU 35 -3.258 9.516 1.181 270 HD12 LEU 35 HD12 LEU 35 -2.378 10.097 -0.229 271 HD13 LEU 35 HD13 LEU 35 -1.507 9.704 1.251 272 HD21 LEU 35 HD21 LEU 35 -0.841 6.971 -1.219 273 HD22 LEU 35 HD22 LEU 35 -0.011 7.865 0.053 274 HD23 LEU 35 HD23 LEU 35 -0.737 8.726 -1.300 275 H PHE 36 HN PHE 36 -3.674 5.566 3.140 276 HA PHE 36 HA PHE 36 -1.735 3.794 4.528 277 HB2 PHE 36 HB2 PHE 36 -4.136 5.003 5.865 278 HB3 PHE 36 HB1 PHE 36 -2.516 4.731 6.503 279 HD1 PHE 36 HD2 PHE 36 -0.814 5.909 4.383 280 HD2 PHE 36 HD1 PHE 36 -4.494 7.332 6.090 281 HE1 PHE 36 HE2 PHE 36 -0.205 8.220 3.764 282 HE2 PHE 36 HE1 PHE 36 -3.875 9.650 5.460 283 HZ PHE 36 HZ PHE 36 -1.735 10.083 4.289 284 H ALA 37 HN ALA 37 -4.515 3.296 2.760 285 HA ALA 37 HA ALA 37 -6.021 1.531 4.406 286 HB1 ALA 37 HB1 ALA 37 -7.103 2.069 2.403 287 HB2 ALA 37 HB2 ALA 37 -6.555 0.427 2.072 288 HB3 ALA 37 HB3 ALA 37 -5.655 1.804 1.433 289 H ASN 38 HN ASN 38 -6.006 -0.823 4.430 290 HA ASN 38 HA ASN 38 -3.272 -1.902 4.487 291 HB2 ASN 38 HB2 ASN 38 -5.983 -2.991 5.263 292 HB3 ASN 38 HB1 ASN 38 -4.531 -3.986 5.277 293 HD21 ASN 38 HD21 ASN 38 -6.382 -2.402 7.411 294 HD22 ASN 38 HD22 ASN 38 -5.208 -1.822 8.491 295 H THR 39 HN THR 39 -2.650 -3.819 3.283 296 HA THR 39 HA THR 39 -3.952 -3.933 0.619 297 HB THR 39 HB THR 39 -1.499 -5.485 1.466 298 HG1 THR 39 HG1 THR 39 -1.406 -3.162 1.969 299 HG21 THR 39 HG21 THR 39 -2.160 -4.186 -1.181 300 HG22 THR 39 HG22 THR 39 -2.721 -5.806 -0.769 301 HG23 THR 39 HG23 THR 39 -0.993 -5.467 -0.855 302 H CYS 40 HN CYS 40 -5.086 -5.700 -0.107 303 HA CYS 40 HA CYS 40 -5.681 -7.845 1.850 304 HB2 CYS 40 HB2 CYS 40 -7.623 -7.063 0.730 305 HB3 CYS 40 HB1 CYS 40 -6.824 -7.054 -0.838 306 H GLU 41 HN GLU 41 -4.044 -9.244 1.936 307 HA GLU 41 HA GLU 41 -2.129 -9.934 0.080 308 HB2 GLU 41 HB2 GLU 41 -3.527 -11.870 1.944 309 HB3 GLU 41 HB1 GLU 41 -1.910 -12.052 1.267 310 HG2 GLU 41 HG2 GLU 41 -1.148 -10.049 2.440 311 HG3 GLU 41 HG1 GLU 41 -2.772 -9.744 3.042 312 H GLU 42 HN GLU 42 -5.506 -10.653 -0.137 313 HA GLU 42 HA GLU 42 -5.088 -12.837 -2.091 314 HB2 GLU 42 HB2 GLU 42 -7.038 -12.625 -0.342 315 HB3 GLU 42 HB1 GLU 42 -7.761 -11.551 -1.534 316 HG2 GLU 42 HG2 GLU 42 -6.845 -14.388 -2.085 317 HG3 GLU 42 HG1 GLU 42 -8.517 -13.895 -1.817 318 H CYS 43 HN CYS 43 -6.742 -9.645 -2.147 319 HA CYS 43 HA CYS 43 -6.746 -9.638 -5.076 320 HB2 CYS 43 HB2 CYS 43 -7.405 -7.397 -3.140 321 HB3 CYS 43 HB1 CYS 43 -7.805 -7.446 -4.857 322 H GLY 44 HN GLY 44 -5.033 -7.893 -2.494 323 HA2 GLY 44 HA2 GLY 44 -2.743 -7.153 -2.676 324 HA3 GLY 44 HA1 GLY 44 -2.870 -7.250 -4.434 325 H LYS 45 HN LYS 45 -5.683 -5.897 -3.715 326 HA LYS 45 HA LYS 45 -4.686 -3.171 -4.227 327 HB2 LYS 45 HB2 LYS 45 -7.513 -4.259 -4.075 328 HB3 LYS 45 HB1 LYS 45 -7.068 -2.649 -4.635 329 HG2 LYS 45 HG2 LYS 45 -5.889 -3.526 -6.529 330 HG3 LYS 45 HG1 LYS 45 -5.966 -5.168 -5.898 331 HD2 LYS 45 HD2 LYS 45 -7.659 -5.118 -7.545 332 HD3 LYS 45 HD1 LYS 45 -8.541 -4.898 -6.036 333 HE2 LYS 45 HE2 LYS 45 -9.277 -3.294 -7.783 334 HE3 LYS 45 HE1 LYS 45 -8.585 -2.469 -6.389 335 HZ1 LYS 45 HZ1 LYS 45 -6.723 -1.882 -7.537 336 HZ2 LYS 45 HZ2 LYS 45 -7.847 -1.878 -8.812 337 HZ3 LYS 45 HZ3 LYS 45 -6.807 -3.204 -8.597 338 HA PRO 46 HA PRO 46 -5.079 -1.877 0.004 339 HB2 PRO 46 HB2 PRO 46 -6.376 0.652 -0.590 340 HB3 PRO 46 HB1 PRO 46 -4.688 0.373 -0.142 341 HG2 PRO 46 HG2 PRO 46 -5.743 1.062 -2.747 342 HG3 PRO 46 HG1 PRO 46 -4.052 0.803 -2.295 343 HD2 PRO 46 HD2 PRO 46 -5.716 -0.928 -3.875 344 HD3 PRO 46 HD1 PRO 46 -4.044 -1.215 -3.357 345 H ILE 47 HN ILE 47 -6.681 -2.056 1.609 346 HA ILE 47 HA ILE 47 -9.472 -2.510 0.652 347 HB ILE 47 HB ILE 47 -8.370 -3.056 3.422 348 HG12 ILE 47 HG12 ILE 47 -8.457 -4.915 1.021 349 HG13 ILE 47 HG11 ILE 47 -6.998 -4.258 1.747 350 HG21 ILE 47 HG21 ILE 47 -10.262 -4.635 3.509 351 HG22 ILE 47 HG22 ILE 47 -10.695 -4.215 1.853 352 HG23 ILE 47 HG23 ILE 47 -10.835 -3.012 3.131 353 HD11 ILE 47 HD11 ILE 47 -8.780 -6.430 2.714 354 HD12 ILE 47 HD12 ILE 47 -8.123 -5.360 3.951 355 HD13 ILE 47 HD13 ILE 47 -7.037 -6.246 2.885 356 H GLY 48 HN GLY 48 -10.548 -0.570 0.635 357 HA2 GLY 48 HA2 GLY 48 -9.941 1.533 2.563 358 HA3 GLY 48 HA1 GLY 48 -11.216 1.584 1.347 359 H CYS 49 HN CYS 49 -11.967 2.567 3.691 360 HA CYS 49 HA CYS 49 -13.042 0.520 5.480 361 HB2 CYS 49 HB2 CYS 49 -13.906 2.354 6.758 362 HB3 CYS 49 HB1 CYS 49 -12.325 2.866 6.170 363 HG CYS 49 HG CYS 49 -13.480 4.757 5.079 364 H ASP 50 HN ASP 50 -14.062 2.104 2.597 365 HA ASP 50 HA ASP 50 -16.921 1.846 3.024 366 HB2 ASP 50 HB2 ASP 50 -15.859 3.415 1.365 367 HB3 ASP 50 HB1 ASP 50 -15.429 2.010 0.389 368 H CYS 51 HN CYS 51 -15.005 -0.551 3.311 369 HA CYS 51 HA CYS 51 -16.789 -2.475 1.945 370 HB2 CYS 51 HB2 CYS 51 -13.810 -2.271 1.443 371 HB3 CYS 51 HB1 CYS 51 -14.732 -3.738 1.116 372 HG CYS 51 HG CYS 51 -15.264 -2.659 -1.052 373 H LYS 52 HN LYS 52 -16.552 -4.644 2.855 374 HA LYS 52 HA LYS 52 -16.110 -4.629 5.683 375 HB2 LYS 52 HB2 LYS 52 -16.417 -7.079 5.526 376 HB3 LYS 52 HB1 LYS 52 -17.642 -6.214 4.602 377 HG2 LYS 52 HG2 LYS 52 -15.863 -6.511 2.622 378 HG3 LYS 52 HG1 LYS 52 -15.331 -7.863 3.618 379 HD2 LYS 52 HD2 LYS 52 -16.939 -8.909 2.292 380 HD3 LYS 52 HD1 LYS 52 -17.914 -8.451 3.687 381 HE2 LYS 52 HE2 LYS 52 -18.366 -6.250 2.374 382 HE3 LYS 52 HE1 LYS 52 -17.783 -7.145 0.971 383 HZ1 LYS 52 HZ1 LYS 52 -19.449 -8.825 1.368 384 HZ2 LYS 52 HZ2 LYS 52 -20.192 -7.304 1.232 385 HZ3 LYS 52 HZ3 LYS 52 -19.987 -8.018 2.760 386 H ASP 53 HN ASP 53 -14.089 -4.283 6.498 387 HA ASP 53 HA ASP 53 -11.734 -5.514 5.146 388 HB2 ASP 53 HB2 ASP 53 -10.428 -4.072 6.710 389 HB3 ASP 53 HB1 ASP 53 -11.536 -3.144 5.700 390 H LEU 54 HN LEU 54 -11.339 -7.567 5.842 391 HA LEU 54 HA LEU 54 -12.044 -8.373 8.571 392 HB2 LEU 54 HB2 LEU 54 -12.118 -9.707 6.219 393 HB3 LEU 54 HB1 LEU 54 -10.506 -10.169 6.713 394 HG LEU 54 HG LEU 54 -13.123 -11.151 7.662 395 HD11 LEU 54 HD11 LEU 54 -10.274 -12.143 7.864 396 HD12 LEU 54 HD12 LEU 54 -11.537 -12.673 6.756 397 HD13 LEU 54 HD13 LEU 54 -11.663 -13.042 8.471 398 HD21 LEU 54 HD21 LEU 54 -12.143 -11.598 10.043 399 HD22 LEU 54 HD22 LEU 54 -12.912 -10.052 9.733 400 HD23 LEU 54 HD23 LEU 54 -11.154 -10.182 9.732 401 H SER 55 HN SER 55 -10.563 -8.313 10.240 402 HA SER 55 HA SER 55 -7.645 -8.061 9.545 403 HB2 SER 55 HB2 SER 55 -7.498 -6.966 11.835 404 HB3 SER 55 HB1 SER 55 -8.373 -6.042 10.618 405 HG SER 55 HG SER 55 -9.326 -6.460 12.853 406 H TYR 56 HN TYR 56 -6.447 -9.811 10.146 407 HA TYR 56 HA TYR 56 -7.199 -11.304 12.609 408 HB2 TYR 56 HB2 TYR 56 -8.207 -12.321 10.415 409 HB3 TYR 56 HB1 TYR 56 -6.552 -12.831 10.085 410 HD1 TYR 56 HD1 TYR 56 -5.317 -14.063 12.000 411 HD2 TYR 56 HD2 TYR 56 -9.577 -13.650 11.804 412 HE1 TYR 56 HE1 TYR 56 -5.566 -15.979 13.557 413 HE2 TYR 56 HE2 TYR 56 -9.834 -15.568 13.357 414 HH TYR 56 HH TYR 56 -8.792 -17.044 14.640 415 H LYS 57 HN LYS 57 -5.371 -11.393 13.801 416 HA LYS 57 HA LYS 57 -3.111 -11.487 14.384 417 HB2 LYS 57 HB2 LYS 57 -3.410 -13.702 13.216 418 HB3 LYS 57 HB1 LYS 57 -2.782 -12.941 11.758 419 HG2 LYS 57 HG2 LYS 57 -0.671 -12.457 12.848 420 HG3 LYS 57 HG1 LYS 57 -1.303 -12.980 14.405 421 HD2 LYS 57 HD2 LYS 57 -1.340 -14.928 12.108 422 HD3 LYS 57 HD1 LYS 57 0.186 -14.620 12.931 423 HE2 LYS 57 HE2 LYS 57 -2.290 -15.263 14.527 424 HE3 LYS 57 HE1 LYS 57 -1.327 -16.553 13.806 425 HZ1 LYS 57 HZ1 LYS 57 0.032 -16.374 15.526 426 HZ2 LYS 57 HZ2 LYS 57 -0.796 -15.015 16.120 427 HZ3 LYS 57 HZ3 LYS 57 0.465 -14.822 14.997 428 H ASP 58 HN ASP 58 -3.520 -9.065 13.629 429 HA ASP 58 HA ASP 58 -2.625 -7.140 12.648 430 HB2 ASP 58 HB2 ASP 58 -0.652 -8.007 13.869 431 HB3 ASP 58 HB1 ASP 58 -0.179 -8.912 12.431 432 H ARG 59 HN ARG 59 -3.518 -9.591 10.765 433 HA ARG 59 HA ARG 59 -2.296 -8.456 8.263 434 HB2 ARG 59 HB2 ARG 59 -3.575 -11.152 8.788 435 HB3 ARG 59 HB1 ARG 59 -3.099 -10.577 7.194 436 HG2 ARG 59 HG2 ARG 59 -0.800 -10.470 7.822 437 HG3 ARG 59 HG1 ARG 59 -1.175 -10.696 9.517 438 HD2 ARG 59 HD2 ARG 59 -2.012 -12.942 9.040 439 HD3 ARG 59 HD1 ARG 59 -1.664 -12.729 7.329 440 HE ARG 59 HE ARG 59 0.190 -13.491 9.411 441 HH11 ARG 59 HH21 ARG 59 -0.026 -11.532 6.581 442 HH12 ARG 59 HH22 ARG 59 1.691 -11.432 6.376 443 HH21 ARG 59 HH11 ARG 59 2.411 -13.375 9.148 444 HH22 ARG 59 HH12 ARG 59 3.065 -12.474 7.822 445 H HIS 60 HN HIS 60 -3.886 -8.434 6.381 446 HA HIS 60 HA HIS 60 -6.663 -7.785 7.337 447 HB2 HIS 60 HB2 HIS 60 -5.010 -6.286 5.284 448 HB3 HIS 60 HB1 HIS 60 -6.694 -5.946 5.682 449 HD2 HIS 60 HD2 HIS 60 -7.094 -4.776 8.274 450 HE1 HIS 60 HE1 HIS 60 -2.993 -4.153 9.065 451 HE2 HIS 60 HE2 HIS 60 -5.352 -3.636 9.851 452 H TRP 61 HN TRP 61 -8.338 -8.271 5.896 453 HA TRP 61 HA TRP 61 -7.766 -9.475 3.276 454 HB2 TRP 61 HB2 TRP 61 -8.412 -11.078 5.726 455 HB3 TRP 61 HB1 TRP 61 -9.240 -11.550 4.249 456 HD1 TRP 61 HD1 TRP 61 -7.313 -11.597 2.042 457 HE1 TRP 61 HE1 TRP 61 -5.122 -12.961 2.064 458 HE3 TRP 61 HE3 TRP 61 -6.656 -12.141 7.081 459 HZ2 TRP 61 HZ2 TRP 61 -3.327 -14.119 3.963 460 HZ3 TRP 61 HZ3 TRP 61 -4.698 -13.375 7.967 461 HH2 TRP 61 HH2 TRP 61 -3.036 -14.368 6.414 462 H HIS 62 HN HIS 62 -9.708 -9.572 2.000 463 HA HIS 62 HA HIS 62 -11.905 -7.901 2.959 464 HB2 HIS 62 HB2 HIS 62 -11.541 -9.632 0.500 465 HB3 HIS 62 HB1 HIS 62 -13.051 -8.807 0.834 466 HD2 HIS 62 HD2 HIS 62 -12.488 -5.843 1.268 467 HE1 HIS 62 HE1 HIS 62 -9.428 -5.958 -1.636 468 HE2 HIS 62 HE2 HIS 62 -10.955 -4.432 -0.303 469 H GLU 63 HN GLU 63 -13.626 -8.717 4.166 470 HA GLU 63 HA GLU 63 -13.704 -11.200 5.371 471 HB2 GLU 63 HB2 GLU 63 -15.304 -9.134 5.588 472 HB3 GLU 63 HB1 GLU 63 -16.295 -9.987 4.407 473 HG2 GLU 63 HG2 GLU 63 -16.244 -11.995 5.913 474 HG3 GLU 63 HG1 GLU 63 -15.408 -11.015 7.119 475 H ALA 64 HN ALA 64 -14.433 -10.506 2.038 476 HA ALA 64 HA ALA 64 -15.713 -13.138 1.590 477 HB1 ALA 64 HB1 ALA 64 -16.681 -11.317 0.364 478 HB2 ALA 64 HB2 ALA 64 -15.807 -12.311 -0.802 479 HB3 ALA 64 HB3 ALA 64 -15.103 -10.798 -0.228 480 H CYS 65 HN CYS 65 -12.555 -11.669 1.264 481 HA CYS 65 HA CYS 65 -11.579 -13.624 -0.688 482 HB2 CYS 65 HB2 CYS 65 -10.267 -11.492 0.984 483 HB3 CYS 65 HB1 CYS 65 -9.312 -12.636 0.047 484 H PHE 66 HN PHE 66 -11.626 -13.339 2.801 485 HA PHE 66 HA PHE 66 -9.663 -15.409 3.271 486 HB2 PHE 66 HB2 PHE 66 -10.677 -13.504 4.813 487 HB3 PHE 66 HB1 PHE 66 -11.833 -14.755 5.248 488 HD1 PHE 66 HD2 PHE 66 -10.511 -17.189 5.521 489 HD2 PHE 66 HD1 PHE 66 -8.917 -13.291 6.319 490 HE1 PHE 66 HE2 PHE 66 -8.855 -18.190 7.053 491 HE2 PHE 66 HE1 PHE 66 -7.247 -14.292 7.857 492 HZ PHE 66 HZ PHE 66 -7.216 -16.743 8.217 493 H HIS 67 HN HIS 67 -10.144 -17.381 2.318 494 HA HIS 67 HA HIS 67 -12.487 -18.816 3.367 495 HB2 HIS 67 HB2 HIS 67 -13.155 -19.515 1.014 496 HB3 HIS 67 HB1 HIS 67 -13.505 -17.837 1.427 497 HD2 HIS 67 HD2 HIS 67 -13.184 -17.626 -1.573 498 HE1 HIS 67 HE1 HIS 67 -8.983 -17.410 -1.216 499 HE2 HIS 67 HE2 HIS 67 -10.947 -17.031 -2.781 500 H CYS 68 HN CYS 68 -12.482 -21.153 2.378 501 HA CYS 68 HA CYS 68 -9.768 -22.212 2.747 502 HB2 CYS 68 HB2 CYS 68 -11.502 -23.503 3.777 503 HB3 CYS 68 HB1 CYS 68 -12.477 -23.499 2.315 504 H SER 69 HN SER 69 -8.555 -23.263 1.125 505 HA SER 69 HA SER 69 -9.022 -22.354 -1.577 506 HB2 SER 69 HB2 SER 69 -6.778 -22.919 -0.399 507 HB3 SER 69 HB1 SER 69 -7.133 -24.585 -0.833 508 HG SER 69 HG SER 69 -6.532 -22.384 -2.443 509 H GLN 70 HN GLN 70 -9.914 -25.253 0.170 510 HA GLN 70 HA GLN 70 -10.564 -26.679 -2.368 511 HB2 GLN 70 HB2 GLN 70 -10.848 -27.706 0.462 512 HB3 GLN 70 HB1 GLN 70 -10.810 -28.651 -1.025 513 HG2 GLN 70 HG2 GLN 70 -8.491 -26.905 -0.206 514 HG3 GLN 70 HG1 GLN 70 -8.635 -28.560 0.359 515 HE21 GLN 70 HE21 GLN 70 -7.204 -26.749 -2.006 516 HE22 GLN 70 HE22 GLN 70 -7.090 -27.915 -3.228 517 H CYS 71 HN CYS 71 -12.180 -25.784 0.688 518 HA CYS 71 HA CYS 71 -14.810 -26.436 -0.523 519 HB2 CYS 71 HB2 CYS 71 -14.460 -25.231 2.218 520 HB3 CYS 71 HB1 CYS 71 -15.687 -26.362 1.645 521 H ARG 72 HN ARG 72 -12.825 -23.746 -0.476 522 HA ARG 72 HA ARG 72 -13.229 -21.454 -0.740 523 HB2 ARG 72 HB2 ARG 72 -15.831 -22.294 -2.015 524 HB3 ARG 72 HB1 ARG 72 -14.782 -20.944 -2.441 525 HG2 ARG 72 HG2 ARG 72 -13.004 -22.660 -3.040 526 HG3 ARG 72 HG1 ARG 72 -14.260 -23.888 -2.883 527 HD2 ARG 72 HD2 ARG 72 -13.994 -23.123 -5.235 528 HD3 ARG 72 HD1 ARG 72 -15.603 -22.775 -4.603 529 HE ARG 72 HE ARG 72 -14.162 -20.464 -4.073 530 HH11 ARG 72 HH21 ARG 72 -14.802 -22.446 -6.820 531 HH12 ARG 72 HH22 ARG 72 -14.722 -21.135 -7.950 532 HH21 ARG 72 HH11 ARG 72 -14.054 -18.742 -5.531 533 HH22 ARG 72 HH12 ARG 72 -14.297 -19.038 -7.220 534 H ASN 73 HN ASN 73 -14.568 -23.042 1.562 535 HA ASN 73 HA ASN 73 -16.986 -21.621 2.221 536 HB2 ASN 73 HB2 ASN 73 -14.938 -23.125 3.856 537 HB3 ASN 73 HB1 ASN 73 -16.316 -22.324 4.612 538 HD21 ASN 73 HD21 ASN 73 -18.350 -22.821 2.808 539 HD22 ASN 73 HD22 ASN 73 -18.621 -24.489 2.673 540 H SER 74 HN SER 74 -17.161 -19.770 3.656 541 HA SER 74 HA SER 74 -14.814 -17.983 3.457 542 HB2 SER 74 HB2 SER 74 -17.524 -17.454 4.709 543 HB3 SER 74 HB1 SER 74 -16.313 -16.252 4.274 544 HG SER 74 HG SER 74 -16.803 -17.809 2.162 545 H LEU 75 HN LEU 75 -13.283 -18.736 4.982 546 HA LEU 75 HA LEU 75 -14.140 -19.354 7.723 547 HB2 LEU 75 HB2 LEU 75 -11.297 -18.923 6.812 548 HB3 LEU 75 HB1 LEU 75 -11.873 -19.900 8.152 549 HG LEU 75 HG LEU 75 -12.716 -20.569 5.325 550 HD11 LEU 75 HD11 LEU 75 -10.443 -20.604 4.912 551 HD12 LEU 75 HD12 LEU 75 -10.695 -22.239 5.514 552 HD13 LEU 75 HD13 LEU 75 -10.030 -21.005 6.575 553 HD21 LEU 75 HD21 LEU 75 -12.820 -22.829 6.296 554 HD22 LEU 75 HD22 LEU 75 -13.804 -21.691 7.215 555 HD23 LEU 75 HD23 LEU 75 -12.229 -22.193 7.831 556 H VAL 76 HN VAL 76 -14.614 -17.679 9.049 557 HA VAL 76 HA VAL 76 -12.770 -15.343 9.122 558 HB VAL 76 HB VAL 76 -15.792 -15.243 8.837 559 HG11 VAL 76 HG11 VAL 76 -15.356 -13.741 10.633 560 HG12 VAL 76 HG12 VAL 76 -15.411 -12.728 9.191 561 HG13 VAL 76 HG13 VAL 76 -13.858 -13.177 9.896 562 HG21 VAL 76 HG21 VAL 76 -15.328 -13.873 6.933 563 HG22 VAL 76 HG22 VAL 76 -14.215 -15.230 6.813 564 HG23 VAL 76 HG23 VAL 76 -13.642 -13.670 7.397 565 H ASP 77 HN ASP 77 -12.258 -14.891 11.246 566 HA ASP 77 HA ASP 77 -12.142 -15.313 13.552 567 HB2 ASP 77 HB2 ASP 77 -14.059 -14.663 14.763 568 HB3 ASP 77 HB1 ASP 77 -14.235 -13.811 13.233 569 H LYS 78 HN LYS 78 -12.810 -17.584 11.502 570 HA LYS 78 HA LYS 78 -13.726 -19.637 13.475 571 HB2 LYS 78 HB2 LYS 78 -14.008 -19.284 10.513 572 HB3 LYS 78 HB1 LYS 78 -13.836 -20.937 11.091 573 HG2 LYS 78 HG2 LYS 78 -15.750 -20.637 12.598 574 HG3 LYS 78 HG1 LYS 78 -15.891 -18.950 12.109 575 HD2 LYS 78 HD2 LYS 78 -17.529 -20.242 10.868 576 HD3 LYS 78 HD1 LYS 78 -16.272 -19.713 9.753 577 HE2 LYS 78 HE2 LYS 78 -15.980 -22.394 11.088 578 HE3 LYS 78 HE1 LYS 78 -17.090 -22.229 9.729 579 HZ1 LYS 78 HZ1 LYS 78 -14.906 -20.923 8.854 580 HZ2 LYS 78 HZ2 LYS 78 -15.280 -22.541 8.494 581 HZ3 LYS 78 HZ3 LYS 78 -14.212 -22.174 9.764 582 HA PRO 79 HA PRO 79 -9.623 -21.274 13.490 583 HB2 PRO 79 HB2 PRO 79 -10.205 -24.050 13.285 584 HB3 PRO 79 HB1 PRO 79 -10.045 -23.122 14.780 585 HG2 PRO 79 HG2 PRO 79 -12.497 -24.126 13.480 586 HG3 PRO 79 HG1 PRO 79 -12.273 -23.561 15.143 587 HD2 PRO 79 HD2 PRO 79 -13.598 -22.139 13.080 588 HD3 PRO 79 HD1 PRO 79 -13.046 -21.465 14.628 589 H PHE 80 HN PHE 80 -8.085 -21.614 11.880 590 HA PHE 80 HA PHE 80 -8.794 -23.134 9.446 591 HB2 PHE 80 HB2 PHE 80 -8.041 -21.300 7.934 592 HB3 PHE 80 HB1 PHE 80 -9.513 -20.881 8.821 593 HD1 PHE 80 HD1 PHE 80 -5.785 -20.466 8.838 594 HD2 PHE 80 HD2 PHE 80 -9.565 -18.971 10.211 595 HE1 PHE 80 HE1 PHE 80 -4.661 -18.472 9.786 596 HE2 PHE 80 HE2 PHE 80 -8.438 -16.981 11.162 597 HZ PHE 80 HZ PHE 80 -5.981 -16.732 10.946 598 H ALA 81 HN ALA 81 -6.918 -23.723 8.216 599 HA ALA 81 HA ALA 81 -4.419 -23.659 9.832 600 HB1 ALA 81 HB1 ALA 81 -3.684 -25.496 8.533 601 HB2 ALA 81 HB2 ALA 81 -4.829 -25.152 7.236 602 HB3 ALA 81 HB3 ALA 81 -5.404 -25.807 8.770 603 H ALA 82 HN ALA 82 -3.110 -21.975 9.381 604 HA ALA 82 HA ALA 82 -3.347 -20.500 6.872 605 HB1 ALA 82 HB1 ALA 82 -2.727 -19.637 9.288 606 HB2 ALA 82 HB2 ALA 82 -1.981 -18.891 7.877 607 HB3 ALA 82 HB3 ALA 82 -1.089 -20.083 8.823 608 H LYS 83 HN LYS 83 -2.546 -21.546 5.106 609 HA LYS 83 HA LYS 83 -0.002 -23.053 5.296 610 HB2 LYS 83 HB2 LYS 83 -1.758 -24.126 4.024 611 HB3 LYS 83 HB1 LYS 83 -1.999 -22.684 3.050 612 HG2 LYS 83 HG2 LYS 83 0.002 -22.966 1.869 613 HG3 LYS 83 HG1 LYS 83 0.709 -23.990 3.120 614 HD2 LYS 83 HD2 LYS 83 -0.772 -25.818 2.552 615 HD3 LYS 83 HD1 LYS 83 -1.673 -24.797 1.431 616 HE2 LYS 83 HE2 LYS 83 -0.113 -26.197 0.173 617 HE3 LYS 83 HE1 LYS 83 0.402 -24.513 0.075 618 HZ1 LYS 83 HZ1 LYS 83 1.877 -26.670 0.983 619 HZ2 LYS 83 HZ2 LYS 83 1.518 -25.744 2.362 620 HZ3 LYS 83 HZ3 LYS 83 2.311 -25.031 1.038 621 H GLU 84 HN GLU 84 1.706 -22.545 3.681 622 HA GLU 84 HA GLU 84 2.842 -20.096 3.876 623 HB2 GLU 84 HB2 GLU 84 2.806 -21.948 1.494 624 HB3 GLU 84 HB1 GLU 84 3.808 -20.500 1.527 625 HG2 GLU 84 HG2 GLU 84 5.126 -22.400 2.302 626 HG3 GLU 84 HG1 GLU 84 4.835 -21.308 3.657 627 H ASP 85 HN ASP 85 0.750 -20.833 1.025 628 HA ASP 85 HA ASP 85 0.160 -17.886 0.870 629 HB2 ASP 85 HB2 ASP 85 0.882 -19.915 -1.229 630 HB3 ASP 85 HB1 ASP 85 -0.165 -18.571 -1.670 631 H GLN 86 HN GLN 86 -1.233 -20.789 1.640 632 HA GLN 86 HA GLN 86 -3.901 -19.921 0.547 633 HB2 GLN 86 HB2 GLN 86 -3.105 -22.793 1.021 634 HB3 GLN 86 HB1 GLN 86 -4.488 -22.177 0.122 635 HG2 GLN 86 HG2 GLN 86 -1.604 -21.713 -0.690 636 HG3 GLN 86 HG1 GLN 86 -2.621 -22.996 -1.322 637 HE21 GLN 86 HE21 GLN 86 -1.551 -20.843 -2.963 638 HE22 GLN 86 HE22 GLN 86 -2.870 -19.945 -3.541 639 H LEU 87 HN LEU 87 -5.721 -20.976 1.728 640 HA LEU 87 HA LEU 87 -5.196 -21.353 4.637 641 HB2 LEU 87 HB2 LEU 87 -7.233 -19.563 3.285 642 HB3 LEU 87 HB1 LEU 87 -7.546 -20.224 4.888 643 HG LEU 87 HG LEU 87 -4.898 -18.888 4.376 644 HD11 LEU 87 HD11 LEU 87 -7.557 -17.508 4.680 645 HD12 LEU 87 HD12 LEU 87 -6.243 -17.142 3.565 646 HD13 LEU 87 HD13 LEU 87 -6.079 -16.752 5.276 647 HD21 LEU 87 HD21 LEU 87 -6.611 -18.690 6.837 648 HD22 LEU 87 HD22 LEU 87 -4.859 -18.605 6.693 649 HD23 LEU 87 HD23 LEU 87 -5.682 -20.152 6.525 650 H LEU 88 HN LEU 88 -6.228 -23.159 5.407 651 HA LEU 88 HA LEU 88 -8.308 -24.452 3.665 652 HB2 LEU 88 HB2 LEU 88 -5.865 -25.676 4.973 653 HB3 LEU 88 HB1 LEU 88 -7.196 -26.636 4.339 654 HG LEU 88 HG LEU 88 -5.936 -24.566 2.549 655 HD11 LEU 88 HD11 LEU 88 -4.331 -26.319 1.753 656 HD12 LEU 88 HD12 LEU 88 -4.767 -27.289 3.160 657 HD13 LEU 88 HD13 LEU 88 -3.984 -25.724 3.376 658 HD21 LEU 88 HD21 LEU 88 -7.149 -27.306 2.099 659 HD22 LEU 88 HD22 LEU 88 -6.507 -26.264 0.830 660 HD23 LEU 88 HD23 LEU 88 -7.917 -25.754 1.760 661 H CYS 89 HN CYS 89 -9.534 -26.163 4.926 662 HA CYS 89 HA CYS 89 -10.251 -25.069 7.566 663 HB2 CYS 89 HB2 CYS 89 -11.380 -27.573 6.290 664 HB3 CYS 89 HB1 CYS 89 -12.136 -26.525 7.486 665 H THR 90 HN THR 90 -9.752 -26.109 9.519 666 HA THR 90 HA THR 90 -7.489 -27.721 9.743 667 HB THR 90 HB THR 90 -8.055 -28.000 11.984 668 HG1 THR 90 HG1 THR 90 -9.719 -29.322 12.024 669 HG21 THR 90 HG21 THR 90 -9.114 -26.035 12.737 670 HG22 THR 90 HG22 THR 90 -10.199 -25.979 11.348 671 HG23 THR 90 HG23 THR 90 -8.491 -25.584 11.150 672 H ASP 91 HN ASP 91 -10.532 -28.577 8.483 673 HA ASP 91 HA ASP 91 -10.237 -31.471 8.950 674 HB2 ASP 91 HB2 ASP 91 -12.128 -30.123 7.022 675 HB3 ASP 91 HB1 ASP 91 -12.307 -31.700 7.786 676 H CYS 92 HN CYS 92 -10.099 -29.222 6.179 677 HA CYS 92 HA CYS 92 -9.133 -31.271 4.359 678 HB2 CYS 92 HB2 CYS 92 -8.697 -28.330 3.877 679 HB3 CYS 92 HB1 CYS 92 -9.123 -29.594 2.725 680 H TYR 93 HN TYR 93 -7.650 -28.706 6.314 681 HA TYR 93 HA TYR 93 -5.007 -28.932 5.316 682 HB2 TYR 93 HB2 TYR 93 -5.877 -27.205 6.953 683 HB3 TYR 93 HB1 TYR 93 -5.746 -28.436 8.205 684 HD1 TYR 93 HD2 TYR 93 -3.720 -26.891 5.445 685 HD2 TYR 93 HD1 TYR 93 -3.718 -28.690 9.349 686 HE1 TYR 93 HE2 TYR 93 -1.289 -26.458 5.647 687 HE2 TYR 93 HE1 TYR 93 -1.287 -28.260 9.548 688 HH TYR 93 HH TYR 93 0.491 -27.294 8.620 689 H SER 94 HN SER 94 -6.556 -30.568 8.056 690 HA SER 94 HA SER 94 -4.344 -32.216 8.758 691 HB2 SER 94 HB2 SER 94 -7.328 -32.569 9.108 692 HB3 SER 94 HB1 SER 94 -6.162 -33.730 9.735 693 HG SER 94 HG SER 94 -6.944 -31.721 11.020 694 H ASN 95 HN ASN 95 -6.497 -32.322 6.073 695 HA ASN 95 HA ASN 95 -6.240 -35.165 5.533 696 HB2 ASN 95 HB2 ASN 95 -8.071 -33.553 4.681 697 HB3 ASN 95 HB1 ASN 95 -6.890 -33.055 3.470 698 HD21 ASN 95 HD21 ASN 95 -8.882 -35.776 4.569 699 HD22 ASN 95 HD22 ASN 95 -8.654 -36.728 3.182 700 H GLU 96 HN GLU 96 -4.388 -32.283 4.707 701 HA GLU 96 HA GLU 96 -2.720 -33.836 2.796 702 HB2 GLU 96 HB2 GLU 96 -1.679 -31.163 3.376 703 HB3 GLU 96 HB1 GLU 96 -2.270 -31.809 1.848 704 HG2 GLU 96 HG2 GLU 96 -4.622 -31.378 2.692 705 HG3 GLU 96 HG1 GLU 96 -3.894 -30.521 4.049 706 H TYR 97 HN TYR 97 -2.514 -32.276 5.962 707 HA TYR 97 HA TYR 97 0.272 -32.797 6.413 708 HB2 TYR 97 HB2 TYR 97 -0.868 -31.191 7.798 709 HB3 TYR 97 HB1 TYR 97 -2.071 -32.378 8.284 710 HD1 TYR 97 HD2 TYR 97 1.600 -31.668 8.414 711 HD2 TYR 97 HD1 TYR 97 -1.734 -33.696 10.211 712 HE1 TYR 97 HE2 TYR 97 3.034 -32.332 10.325 713 HE2 TYR 97 HE1 TYR 97 -0.299 -34.359 12.123 714 HH TYR 97 HH TYR 97 1.685 -34.055 13.122 715 H SER 98 HN SER 98 -2.631 -34.723 6.737 716 HA SER 98 HA SER 98 -1.795 -36.763 8.465 717 HB2 SER 98 HB2 SER 98 -3.492 -36.870 5.966 718 HB3 SER 98 HB1 SER 98 -3.231 -38.284 6.982 719 HG SER 98 HG SER 98 -4.831 -37.477 8.087 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -13.949 31.372 -3.150 2 H2 MET 1 HT2 MET 1 -12.869 32.105 -4.237 3 H3 MET 1 HT3 MET 1 -13.694 33.048 -3.090 4 HA MET 1 HA MET 1 -12.146 32.716 -1.565 5 HB2 MET 1 HB2 MET 1 -13.349 30.438 -1.340 6 HB3 MET 1 HB1 MET 1 -11.997 29.779 -2.262 7 HG2 MET 1 HG2 MET 1 -11.442 29.531 0.063 8 HG3 MET 1 HG1 MET 1 -10.450 30.850 -0.561 9 HE1 MET 1 HE1 MET 1 -11.254 31.814 3.121 10 HE2 MET 1 HE2 MET 1 -10.115 31.066 2.005 11 HE3 MET 1 HE3 MET 1 -11.472 30.130 2.627 12 H THR 2 HN THR 2 -9.825 32.603 -1.447 13 HA THR 2 HA THR 2 -8.528 32.480 -4.118 14 HB THR 2 HB THR 2 -8.285 34.515 -2.673 15 HG1 THR 2 HG1 THR 2 -6.648 33.596 -4.210 16 HG21 THR 2 HG21 THR 2 -8.191 33.108 -0.542 17 HG22 THR 2 HG22 THR 2 -7.034 34.434 -0.654 18 HG23 THR 2 HG23 THR 2 -6.509 32.779 -0.960 19 H GLU 3 HN GLU 3 -8.295 31.098 -0.871 20 HA GLU 3 HA GLU 3 -5.886 29.726 -0.990 21 HB2 GLU 3 HB2 GLU 3 -6.771 28.205 0.614 22 HB3 GLU 3 HB1 GLU 3 -7.603 29.727 0.891 23 HG2 GLU 3 HG2 GLU 3 -9.400 28.763 -0.755 24 HG3 GLU 3 HG1 GLU 3 -8.652 27.210 -0.393 25 H ARG 4 HN ARG 4 -5.667 27.277 -1.285 26 HA ARG 4 HA ARG 4 -6.619 26.621 -4.021 27 HB2 ARG 4 HB2 ARG 4 -4.488 25.367 -2.278 28 HB3 ARG 4 HB1 ARG 4 -4.819 24.940 -3.951 29 HG2 ARG 4 HG2 ARG 4 -4.144 27.761 -3.086 30 HG3 ARG 4 HG1 ARG 4 -2.907 26.603 -3.558 31 HD2 ARG 4 HD2 ARG 4 -4.746 26.445 -5.663 32 HD3 ARG 4 HD1 ARG 4 -4.750 28.155 -5.259 33 HE ARG 4 HE ARG 4 -2.752 26.892 -6.764 34 HH11 ARG 4 HH21 ARG 4 -2.924 28.719 -3.837 35 HH12 ARG 4 HH22 ARG 4 -1.285 29.259 -3.931 36 HH21 ARG 4 HH11 ARG 4 -0.626 27.600 -6.898 37 HH22 ARG 4 HH12 ARG 4 0.013 28.633 -5.663 38 H PHE 5 HN PHE 5 -7.899 24.841 -4.408 39 HA PHE 5 HA PHE 5 -8.687 23.148 -2.063 40 HB2 PHE 5 HB2 PHE 5 -10.352 24.908 -3.131 41 HB3 PHE 5 HB1 PHE 5 -10.543 23.684 -4.376 42 HD1 PHE 5 HD1 PHE 5 -10.660 24.234 -0.701 43 HD2 PHE 5 HD2 PHE 5 -11.933 21.802 -3.993 44 HE1 PHE 5 HE1 PHE 5 -12.176 22.995 0.809 45 HE2 PHE 5 HE2 PHE 5 -13.462 20.556 -2.482 46 HZ PHE 5 HZ PHE 5 -13.574 21.137 -0.084 47 H ASP 6 HN ASP 6 -6.708 22.011 -3.148 48 HA ASP 6 HA ASP 6 -7.820 19.969 -5.019 49 HB2 ASP 6 HB2 ASP 6 -4.989 20.951 -5.333 50 HB3 ASP 6 HB1 ASP 6 -5.981 20.043 -6.476 51 H CYS 7 HN CYS 7 -6.864 17.910 -4.802 52 HA CYS 7 HA CYS 7 -6.084 17.212 -2.165 53 HB2 CYS 7 HB2 CYS 7 -7.017 15.522 -3.527 54 HB3 CYS 7 HB1 CYS 7 -5.878 15.816 -4.822 55 H HIS 8 HN HIS 8 -4.251 18.210 -1.372 56 HA HIS 8 HA HIS 8 -2.023 19.153 -2.704 57 HB2 HIS 8 HB2 HIS 8 -2.550 19.312 -0.240 58 HB3 HIS 8 HB1 HIS 8 -1.853 17.721 -0.049 59 HD2 HIS 8 HD2 HIS 8 0.680 18.228 0.957 60 HE1 HIS 8 HE1 HIS 8 1.759 21.314 -1.714 61 HE2 HIS 8 HE2 HIS 8 2.579 19.846 0.190 62 H HIS 9 HN HIS 9 -2.862 15.814 -2.190 63 HA HIS 9 HA HIS 9 -0.110 14.919 -2.785 64 HB2 HIS 9 HB2 HIS 9 -1.344 13.666 -1.134 65 HB3 HIS 9 HB1 HIS 9 -2.664 13.392 -2.249 66 HD2 HIS 9 HD2 HIS 9 -1.559 10.576 -1.507 67 HE1 HIS 9 HE1 HIS 9 1.153 10.820 -4.730 68 HE2 HIS 9 HE2 HIS 9 0.051 9.246 -3.070 69 H CYS 10 HN CYS 10 -3.281 14.043 -4.301 70 HA CYS 10 HA CYS 10 -1.905 13.394 -6.805 71 HB2 CYS 10 HB2 CYS 10 -4.883 13.705 -6.411 72 HB3 CYS 10 HB1 CYS 10 -4.055 12.744 -7.631 73 H ASN 11 HN ASN 11 -2.922 16.207 -5.371 74 HA ASN 11 HA ASN 11 -3.299 18.381 -6.099 75 HB2 ASN 11 HB2 ASN 11 -1.836 19.176 -7.748 76 HB3 ASN 11 HB1 ASN 11 -1.013 17.731 -7.171 77 HD21 ASN 11 HD21 ASN 11 -3.104 18.931 -9.828 78 HD22 ASN 11 HD22 ASN 11 -2.610 17.762 -10.954 79 H GLU 12 HN GLU 12 -5.203 16.154 -6.930 80 HA GLU 12 HA GLU 12 -6.385 17.378 -9.383 81 HB2 GLU 12 HB2 GLU 12 -7.770 15.418 -9.523 82 HB3 GLU 12 HB1 GLU 12 -6.137 14.857 -9.168 83 HG2 GLU 12 HG2 GLU 12 -6.814 14.895 -6.706 84 HG3 GLU 12 HG1 GLU 12 -8.468 15.096 -7.253 85 H SER 13 HN SER 13 -8.264 18.580 -9.258 86 HA SER 13 HA SER 13 -9.098 19.827 -6.909 87 HB2 SER 13 HB2 SER 13 -9.814 20.345 -9.306 88 HB3 SER 13 HB1 SER 13 -11.025 19.080 -9.110 89 HG SER 13 HG SER 13 -12.158 20.588 -8.190 90 H LEU 14 HN LEU 14 -10.385 19.225 -5.168 91 HA LEU 14 HA LEU 14 -10.956 16.478 -4.672 92 HB2 LEU 14 HB2 LEU 14 -12.180 18.991 -3.528 93 HB3 LEU 14 HB1 LEU 14 -12.586 17.399 -2.946 94 HG LEU 14 HG LEU 14 -10.882 18.438 -1.554 95 HD11 LEU 14 HD11 LEU 14 -9.620 16.537 -1.295 96 HD12 LEU 14 HD12 LEU 14 -9.358 16.332 -3.024 97 HD13 LEU 14 HD13 LEU 14 -10.909 15.891 -2.305 98 HD21 LEU 14 HD21 LEU 14 -8.995 18.322 -3.880 99 HD22 LEU 14 HD22 LEU 14 -8.805 19.168 -2.346 100 HD23 LEU 14 HD23 LEU 14 -9.948 19.770 -3.544 101 H PHE 15 HN PHE 15 -12.671 15.234 -5.261 102 HA PHE 15 HA PHE 15 -14.331 16.243 -7.414 103 HB2 PHE 15 HB2 PHE 15 -15.140 13.889 -7.484 104 HB3 PHE 15 HB1 PHE 15 -13.390 14.038 -7.564 105 HD1 PHE 15 HD2 PHE 15 -12.014 13.708 -5.388 106 HD2 PHE 15 HD1 PHE 15 -16.183 12.692 -5.744 107 HE1 PHE 15 HE2 PHE 15 -11.844 12.275 -3.380 108 HE2 PHE 15 HE1 PHE 15 -15.998 11.249 -3.736 109 HZ PHE 15 HZ PHE 15 -13.831 11.042 -2.555 110 H GLY 16 HN GLY 16 -15.942 17.622 -6.695 111 HA2 GLY 16 HA2 GLY 16 -17.989 18.239 -5.722 112 HA3 GLY 16 HA1 GLY 16 -18.416 16.612 -6.214 113 H LYS 17 HN LYS 17 -16.049 16.427 -3.719 114 HA LYS 17 HA LYS 17 -18.266 16.268 -1.679 115 HB2 LYS 17 HB2 LYS 17 -17.782 14.032 -2.617 116 HB3 LYS 17 HB1 LYS 17 -16.107 14.197 -2.095 117 HG2 LYS 17 HG2 LYS 17 -16.642 14.063 0.180 118 HG3 LYS 17 HG1 LYS 17 -18.299 14.606 -0.064 119 HD2 LYS 17 HD2 LYS 17 -18.503 12.300 0.420 120 HD3 LYS 17 HD1 LYS 17 -18.661 12.380 -1.330 121 HE2 LYS 17 HE2 LYS 17 -16.058 12.013 -1.316 122 HE3 LYS 17 HE1 LYS 17 -16.339 11.414 0.319 123 HZ1 LYS 17 HZ1 LYS 17 -17.925 9.837 -0.548 124 HZ2 LYS 17 HZ2 LYS 17 -16.436 9.648 -1.344 125 HZ3 LYS 17 HZ3 LYS 17 -17.722 10.440 -2.120 126 H LYS 18 HN LYS 18 -17.623 16.176 0.516 127 HA LYS 18 HA LYS 18 -15.877 18.190 1.355 128 HB2 LYS 18 HB2 LYS 18 -16.906 15.707 2.732 129 HB3 LYS 18 HB1 LYS 18 -15.837 16.837 3.565 130 HG2 LYS 18 HG2 LYS 18 -18.146 17.434 4.047 131 HG3 LYS 18 HG1 LYS 18 -17.436 18.682 3.028 132 HD2 LYS 18 HD2 LYS 18 -18.582 17.925 1.099 133 HD3 LYS 18 HD1 LYS 18 -18.967 16.369 1.833 134 HE2 LYS 18 HE2 LYS 18 -20.840 18.178 1.691 135 HE3 LYS 18 HE1 LYS 18 -20.642 17.286 3.199 136 HZ1 LYS 18 HZ1 LYS 18 -19.691 20.018 2.566 137 HZ2 LYS 18 HZ2 LYS 18 -19.138 19.145 3.915 138 HZ3 LYS 18 HZ3 LYS 18 -20.783 19.549 3.776 139 H TYR 19 HN TYR 19 -13.818 17.739 2.732 140 HA TYR 19 HA TYR 19 -12.214 15.485 1.621 141 HB2 TYR 19 HB2 TYR 19 -10.453 17.012 0.908 142 HB3 TYR 19 HB1 TYR 19 -11.976 17.453 0.135 143 HD1 TYR 19 HD1 TYR 19 -13.439 19.243 1.317 144 HD2 TYR 19 HD2 TYR 19 -9.273 18.627 2.153 145 HE1 TYR 19 HE1 TYR 19 -13.309 21.502 2.317 146 HE2 TYR 19 HE2 TYR 19 -9.144 20.900 3.148 147 HH TYR 19 HH TYR 19 -10.735 23.190 2.710 148 H ILE 20 HN ILE 20 -10.138 15.256 2.723 149 HA ILE 20 HA ILE 20 -10.314 16.078 5.599 150 HB ILE 20 HB ILE 20 -8.870 13.768 4.268 151 HG12 ILE 20 HG12 ILE 20 -11.182 13.518 6.193 152 HG13 ILE 20 HG11 ILE 20 -11.500 13.817 4.488 153 HG21 ILE 20 HG21 ILE 20 -9.093 14.685 7.140 154 HG22 ILE 20 HG22 ILE 20 -7.632 14.376 6.203 155 HG23 ILE 20 HG23 ILE 20 -8.652 13.031 6.713 156 HD11 ILE 20 HD11 ILE 20 -9.773 11.547 5.512 157 HD12 ILE 20 HD12 ILE 20 -10.281 11.822 3.845 158 HD13 ILE 20 HD13 ILE 20 -11.472 11.382 5.069 159 H LEU 21 HN LEU 21 -8.603 17.231 6.463 160 HA LEU 21 HA LEU 21 -6.429 18.020 4.616 161 HB2 LEU 21 HB2 LEU 21 -7.031 18.839 7.476 162 HB3 LEU 21 HB1 LEU 21 -5.607 19.369 6.571 163 HG LEU 21 HG LEU 21 -7.519 21.010 6.549 164 HD11 LEU 21 HD11 LEU 21 -5.715 20.640 4.673 165 HD12 LEU 21 HD12 LEU 21 -7.100 21.676 4.355 166 HD13 LEU 21 HD13 LEU 21 -7.078 20.032 3.739 167 HD21 LEU 21 HD21 LEU 21 -9.540 20.536 5.427 168 HD22 LEU 21 HD22 LEU 21 -9.239 19.077 6.368 169 HD23 LEU 21 HD23 LEU 21 -8.877 19.105 4.640 170 H ARG 22 HN ARG 22 -4.936 16.505 4.409 171 HA ARG 22 HA ARG 22 -4.139 14.899 6.782 172 HB2 ARG 22 HB2 ARG 22 -4.849 13.525 4.905 173 HB3 ARG 22 HB1 ARG 22 -3.831 14.442 3.821 174 HG2 ARG 22 HG2 ARG 22 -2.862 12.249 4.422 175 HG3 ARG 22 HG1 ARG 22 -1.844 13.608 4.864 176 HD2 ARG 22 HD2 ARG 22 -2.816 13.367 7.209 177 HD3 ARG 22 HD1 ARG 22 -3.672 11.953 6.631 178 HE ARG 22 HE ARG 22 -1.000 11.473 6.016 179 HH11 ARG 22 HH21 ARG 22 -2.832 12.327 8.809 180 HH12 ARG 22 HH22 ARG 22 -1.776 11.514 9.914 181 HH21 ARG 22 HH11 ARG 22 0.391 10.408 7.443 182 HH22 ARG 22 HH12 ARG 22 0.051 10.428 9.141 183 H GLU 23 HN GLU 23 -2.009 15.029 7.514 184 HA GLU 23 HA GLU 23 0.070 16.096 7.817 185 HB2 GLU 23 HB2 GLU 23 -0.019 15.812 4.794 186 HB3 GLU 23 HB1 GLU 23 1.408 16.349 5.679 187 HG2 GLU 23 HG2 GLU 23 -0.005 13.759 6.337 188 HG3 GLU 23 HG1 GLU 23 1.281 13.845 5.133 189 H GLU 24 HN GLU 24 -2.261 17.710 7.777 190 HA GLU 24 HA GLU 24 -2.924 19.946 7.648 191 HB2 GLU 24 HB2 GLU 24 0.042 20.451 7.220 192 HB3 GLU 24 HB1 GLU 24 -1.157 21.638 7.726 193 HG2 GLU 24 HG2 GLU 24 -0.655 19.104 9.295 194 HG3 GLU 24 HG1 GLU 24 0.253 20.586 9.591 195 H SER 25 HN SER 25 -2.899 18.301 5.248 196 HA SER 25 HA SER 25 -2.988 20.495 3.292 197 HB2 SER 25 HB2 SER 25 -1.605 17.968 2.437 198 HB3 SER 25 HB1 SER 25 -1.463 19.589 1.768 199 HG SER 25 HG SER 25 0.083 18.439 3.552 200 HA PRO 26 HA PRO 26 -6.724 18.257 2.308 201 HB2 PRO 26 HB2 PRO 26 -6.898 19.113 -0.414 202 HB3 PRO 26 HB1 PRO 26 -7.689 19.857 0.977 203 HG2 PRO 26 HG2 PRO 26 -5.353 20.808 -0.535 204 HG3 PRO 26 HG1 PRO 26 -6.348 21.684 0.633 205 HD2 PRO 26 HD2 PRO 26 -3.717 20.726 1.084 206 HD3 PRO 26 HD1 PRO 26 -4.843 21.322 2.321 207 H TYR 27 HN TYR 27 -6.828 16.125 1.823 208 HA TYR 27 HA TYR 27 -5.258 15.052 -0.506 209 HB2 TYR 27 HB2 TYR 27 -5.750 13.994 2.277 210 HB3 TYR 27 HB1 TYR 27 -5.662 12.833 0.968 211 HD1 TYR 27 HD2 TYR 27 -3.462 15.717 0.521 212 HD2 TYR 27 HD1 TYR 27 -3.837 11.907 2.352 213 HE1 TYR 27 HE2 TYR 27 -1.046 15.670 0.759 214 HE2 TYR 27 HE1 TYR 27 -1.394 11.836 2.640 215 HH TYR 27 HH TYR 27 0.606 14.518 2.267 216 H CYS 28 HN CYS 28 -6.524 13.731 -1.897 217 HA CYS 28 HA CYS 28 -9.375 14.140 -1.752 218 HB2 CYS 28 HB2 CYS 28 -9.522 12.501 -3.589 219 HB3 CYS 28 HB1 CYS 28 -8.253 13.670 -3.902 220 H VAL 29 HN VAL 29 -10.982 12.608 -1.097 221 HA VAL 29 HA VAL 29 -10.665 11.242 1.265 222 HB VAL 29 HB VAL 29 -12.344 10.129 -0.991 223 HG11 VAL 29 HG11 VAL 29 -12.700 10.298 2.010 224 HG12 VAL 29 HG12 VAL 29 -12.306 8.845 1.090 225 HG13 VAL 29 HG13 VAL 29 -13.876 9.622 0.883 226 HG21 VAL 29 HG21 VAL 29 -14.070 11.784 -0.089 227 HG22 VAL 29 HG22 VAL 29 -12.763 12.479 -1.045 228 HG23 VAL 29 HG23 VAL 29 -12.728 12.598 0.714 229 H VAL 30 HN VAL 30 -10.432 9.710 -1.935 230 HA VAL 30 HA VAL 30 -9.705 7.137 -1.217 231 HB VAL 30 HB VAL 30 -8.345 8.628 -3.463 232 HG11 VAL 30 HG11 VAL 30 -9.364 5.790 -3.168 233 HG12 VAL 30 HG12 VAL 30 -7.677 6.286 -3.028 234 HG13 VAL 30 HG13 VAL 30 -8.518 6.445 -4.570 235 HG21 VAL 30 HG21 VAL 30 -11.195 7.645 -3.213 236 HG22 VAL 30 HG22 VAL 30 -10.419 7.911 -4.774 237 HG23 VAL 30 HG23 VAL 30 -10.642 9.258 -3.660 238 H CYS 31 HN CYS 31 -7.388 9.839 -1.764 239 HA CYS 31 HA CYS 31 -5.016 8.515 -1.216 240 HB2 CYS 31 HB2 CYS 31 -5.939 11.306 -0.787 241 HB3 CYS 31 HB1 CYS 31 -4.496 10.829 0.102 242 H PHE 32 HN PHE 32 -6.753 10.338 1.320 243 HA PHE 32 HA PHE 32 -5.375 9.393 3.531 244 HB2 PHE 32 HB2 PHE 32 -7.277 11.075 3.516 245 HB3 PHE 32 HB1 PHE 32 -8.388 9.708 3.491 246 HD1 PHE 32 HD1 PHE 32 -8.259 7.983 5.333 247 HD2 PHE 32 HD2 PHE 32 -6.251 11.786 5.575 248 HE1 PHE 32 HE1 PHE 32 -8.060 7.727 7.793 249 HE2 PHE 32 HE2 PHE 32 -6.059 11.521 8.030 250 HZ PHE 32 HZ PHE 32 -6.962 9.496 9.140 251 H GLU 33 HN GLU 33 -8.138 7.717 1.963 252 HA GLU 33 HA GLU 33 -8.062 5.502 3.806 253 HB2 GLU 33 HB2 GLU 33 -9.229 5.727 1.028 254 HB3 GLU 33 HB1 GLU 33 -9.542 4.405 2.154 255 HG2 GLU 33 HG2 GLU 33 -10.005 7.273 2.971 256 HG3 GLU 33 HG1 GLU 33 -11.227 6.372 2.090 257 H THR 34 HN THR 34 -7.237 5.519 0.314 258 HA THR 34 HA THR 34 -6.003 3.024 0.221 259 HB THR 34 HB THR 34 -6.492 4.794 -1.648 260 HG1 THR 34 HG1 THR 34 -4.826 2.666 -1.449 261 HG21 THR 34 HG21 THR 34 -3.528 5.243 -1.331 262 HG22 THR 34 HG22 THR 34 -4.727 6.356 -0.687 263 HG23 THR 34 HG23 THR 34 -4.646 6.066 -2.419 264 H LEU 35 HN LEU 35 -4.441 6.117 1.063 265 HA LEU 35 HA LEU 35 -1.793 5.160 1.262 266 HB2 LEU 35 HB2 LEU 35 -3.180 7.285 2.904 267 HB3 LEU 35 HB1 LEU 35 -1.442 7.024 2.883 268 HG LEU 35 HG LEU 35 -2.993 7.546 0.340 269 HD11 LEU 35 HD11 LEU 35 -2.378 9.904 0.565 270 HD12 LEU 35 HD12 LEU 35 -1.638 9.573 2.129 271 HD13 LEU 35 HD13 LEU 35 -3.381 9.403 1.925 272 HD21 LEU 35 HD21 LEU 35 -0.806 6.710 -0.128 273 HD22 LEU 35 HD22 LEU 35 -0.079 7.663 1.163 274 HD23 LEU 35 HD23 LEU 35 -0.671 8.457 -0.293 275 H PHE 36 HN PHE 36 -4.087 5.555 3.989 276 HA PHE 36 HA PHE 36 -2.353 3.781 5.625 277 HB2 PHE 36 HB2 PHE 36 -4.846 5.096 6.662 278 HB3 PHE 36 HB1 PHE 36 -3.316 4.794 7.481 279 HD1 PHE 36 HD2 PHE 36 -1.399 5.855 5.418 280 HD2 PHE 36 HD1 PHE 36 -5.105 7.448 6.907 281 HE1 PHE 36 HE2 PHE 36 -0.660 8.134 4.817 282 HE2 PHE 36 HE1 PHE 36 -4.351 9.733 6.300 283 HZ PHE 36 HZ PHE 36 -2.138 10.066 5.244 284 H ALA 37 HN ALA 37 -4.955 3.308 3.592 285 HA ALA 37 HA ALA 37 -6.642 1.599 5.132 286 HB1 ALA 37 HB1 ALA 37 -6.028 1.814 2.195 287 HB2 ALA 37 HB2 ALA 37 -7.538 2.160 3.037 288 HB3 ALA 37 HB3 ALA 37 -7.033 0.491 2.785 289 H ASN 38 HN ASN 38 -6.699 -0.791 5.048 290 HA ASN 38 HA ASN 38 -4.019 -1.905 5.459 291 HB2 ASN 38 HB2 ASN 38 -6.802 -3.075 5.694 292 HB3 ASN 38 HB1 ASN 38 -5.327 -3.964 6.056 293 HD21 ASN 38 HD21 ASN 38 -3.875 -1.721 7.249 294 HD22 ASN 38 HD22 ASN 38 -4.630 -1.365 8.726 295 H THR 39 HN THR 39 -3.225 -3.783 4.304 296 HA THR 39 HA THR 39 -4.118 -3.829 1.467 297 HB THR 39 HB THR 39 -1.753 -5.311 2.632 298 HG1 THR 39 HG1 THR 39 -0.600 -3.369 1.965 299 HG21 THR 39 HG21 THR 39 -0.909 -5.169 0.379 300 HG22 THR 39 HG22 THR 39 -2.200 -4.064 -0.092 301 HG23 THR 39 HG23 THR 39 -2.573 -5.746 0.283 302 H CYS 40 HN CYS 40 -5.158 -5.577 0.590 303 HA CYS 40 HA CYS 40 -5.896 -7.806 2.388 304 HB2 CYS 40 HB2 CYS 40 -7.700 -7.043 1.041 305 HB3 CYS 40 HB1 CYS 40 -6.707 -6.993 -0.412 306 H GLU 41 HN GLU 41 -4.263 -9.192 2.644 307 HA GLU 41 HA GLU 41 -2.102 -9.757 1.011 308 HB2 GLU 41 HB2 GLU 41 -3.636 -11.768 2.675 309 HB3 GLU 41 HB1 GLU 41 -1.948 -11.892 2.180 310 HG2 GLU 41 HG2 GLU 41 -1.391 -9.878 3.450 311 HG3 GLU 41 HG1 GLU 41 -3.082 -9.648 3.883 312 H GLU 42 HN GLU 42 -5.400 -10.568 0.390 313 HA GLU 42 HA GLU 42 -4.689 -12.708 -1.530 314 HB2 GLU 42 HB2 GLU 42 -6.822 -12.603 -0.015 315 HB3 GLU 42 HB1 GLU 42 -7.446 -11.511 -1.248 316 HG2 GLU 42 HG2 GLU 42 -6.400 -14.310 -1.760 317 HG3 GLU 42 HG1 GLU 42 -8.102 -13.852 -1.695 318 H CYS 43 HN CYS 43 -6.580 -9.658 -1.793 319 HA CYS 43 HA CYS 43 -6.186 -9.557 -4.672 320 HB2 CYS 43 HB2 CYS 43 -7.086 -7.343 -2.803 321 HB3 CYS 43 HB1 CYS 43 -7.318 -7.402 -4.550 322 H GLY 44 HN GLY 44 -4.809 -7.846 -1.878 323 HA2 GLY 44 HA2 GLY 44 -2.529 -7.069 -1.771 324 HA3 GLY 44 HA1 GLY 44 -2.441 -7.142 -3.533 325 H LYS 45 HN LYS 45 -5.329 -5.829 -3.188 326 HA LYS 45 HA LYS 45 -4.303 -3.093 -3.524 327 HB2 LYS 45 HB2 LYS 45 -7.001 -4.401 -3.886 328 HB3 LYS 45 HB1 LYS 45 -6.811 -2.651 -3.969 329 HG2 LYS 45 HG2 LYS 45 -5.252 -2.835 -5.808 330 HG3 LYS 45 HG1 LYS 45 -5.184 -4.586 -5.638 331 HD2 LYS 45 HD2 LYS 45 -6.661 -4.216 -7.461 332 HD3 LYS 45 HD1 LYS 45 -7.715 -4.574 -6.096 333 HE2 LYS 45 HE2 LYS 45 -8.228 -2.245 -5.777 334 HE3 LYS 45 HE1 LYS 45 -6.978 -1.751 -6.918 335 HZ1 LYS 45 HZ1 LYS 45 -8.184 -2.743 -8.700 336 HZ2 LYS 45 HZ2 LYS 45 -9.252 -1.732 -7.850 337 HZ3 LYS 45 HZ3 LYS 45 -9.324 -3.416 -7.640 338 HA PRO 46 HA PRO 46 -5.207 -1.829 0.634 339 HB2 PRO 46 HB2 PRO 46 -6.452 0.688 -0.063 340 HB3 PRO 46 HB1 PRO 46 -4.803 0.422 0.515 341 HG2 PRO 46 HG2 PRO 46 -5.673 1.098 -2.170 342 HG3 PRO 46 HG1 PRO 46 -4.015 0.905 -1.579 343 HD2 PRO 46 HD2 PRO 46 -5.465 -0.879 -3.295 344 HD3 PRO 46 HD1 PRO 46 -3.842 -1.116 -2.619 345 H ILE 47 HN ILE 47 -6.966 -2.096 2.024 346 HA ILE 47 HA ILE 47 -9.622 -2.549 0.761 347 HB ILE 47 HB ILE 47 -8.861 -3.061 3.649 348 HG12 ILE 47 HG12 ILE 47 -8.577 -4.908 1.255 349 HG13 ILE 47 HG11 ILE 47 -7.250 -4.234 2.194 350 HG21 ILE 47 HG21 ILE 47 -10.714 -4.675 3.503 351 HG22 ILE 47 HG22 ILE 47 -10.931 -4.289 1.799 352 HG23 ILE 47 HG23 ILE 47 -11.270 -3.073 3.026 353 HD11 ILE 47 HD11 ILE 47 -9.143 -6.428 2.891 354 HD12 ILE 47 HD12 ILE 47 -8.624 -5.376 4.206 355 HD13 ILE 47 HD13 ILE 47 -7.429 -6.262 3.263 356 H GLY 48 HN GLY 48 -10.619 -0.582 0.557 357 HA2 GLY 48 HA2 GLY 48 -10.280 1.546 2.507 358 HA3 GLY 48 HA1 GLY 48 -11.400 1.567 1.146 359 H CYS 49 HN CYS 49 -12.205 2.540 3.616 360 HA CYS 49 HA CYS 49 -13.556 0.546 5.212 361 HB2 CYS 49 HB2 CYS 49 -13.925 3.542 4.953 362 HB3 CYS 49 HB1 CYS 49 -14.808 2.552 6.115 363 HG CYS 49 HG CYS 49 -12.819 2.832 7.565 364 H ASP 50 HN ASP 50 -14.162 1.673 2.112 365 HA ASP 50 HA ASP 50 -17.088 1.636 2.258 366 HB2 ASP 50 HB2 ASP 50 -15.712 2.998 0.597 367 HB3 ASP 50 HB1 ASP 50 -15.379 1.478 -0.234 368 H CYS 51 HN CYS 51 -15.383 -0.787 3.014 369 HA CYS 51 HA CYS 51 -17.064 -2.757 1.604 370 HB2 CYS 51 HB2 CYS 51 -14.039 -2.965 1.515 371 HB3 CYS 51 HB1 CYS 51 -15.191 -4.109 0.826 372 HG CYS 51 HG CYS 51 -14.318 -1.495 -0.464 373 H LYS 52 HN LYS 52 -16.559 -5.023 2.548 374 HA LYS 52 HA LYS 52 -16.499 -4.761 5.462 375 HB2 LYS 52 HB2 LYS 52 -16.620 -7.248 3.725 376 HB3 LYS 52 HB1 LYS 52 -16.937 -7.186 5.457 377 HG2 LYS 52 HG2 LYS 52 -18.507 -5.434 3.563 378 HG3 LYS 52 HG1 LYS 52 -18.962 -7.120 3.795 379 HD2 LYS 52 HD2 LYS 52 -19.071 -6.705 6.264 380 HD3 LYS 52 HD1 LYS 52 -18.762 -4.997 5.952 381 HE2 LYS 52 HE2 LYS 52 -21.051 -6.503 4.672 382 HE3 LYS 52 HE1 LYS 52 -21.214 -5.633 6.198 383 HZ1 LYS 52 HZ1 LYS 52 -21.058 -4.614 3.520 384 HZ2 LYS 52 HZ2 LYS 52 -19.980 -3.842 4.582 385 HZ3 LYS 52 HZ3 LYS 52 -21.642 -3.872 4.928 386 H ASP 53 HN ASP 53 -14.418 -4.251 6.146 387 HA ASP 53 HA ASP 53 -12.100 -5.700 5.065 388 HB2 ASP 53 HB2 ASP 53 -10.811 -4.322 6.674 389 HB3 ASP 53 HB1 ASP 53 -11.874 -3.330 5.675 390 H LEU 54 HN LEU 54 -12.096 -7.827 5.703 391 HA LEU 54 HA LEU 54 -12.931 -8.641 8.346 392 HB2 LEU 54 HB2 LEU 54 -12.767 -9.929 5.986 393 HB3 LEU 54 HB1 LEU 54 -11.204 -10.396 6.614 394 HG LEU 54 HG LEU 54 -13.879 -11.436 7.276 395 HD11 LEU 54 HD11 LEU 54 -11.050 -12.366 7.789 396 HD12 LEU 54 HD12 LEU 54 -12.168 -12.910 6.540 397 HD13 LEU 54 HD13 LEU 54 -12.478 -13.303 8.226 398 HD21 LEU 54 HD21 LEU 54 -13.927 -10.348 9.367 399 HD22 LEU 54 HD22 LEU 54 -12.179 -10.462 9.575 400 HD23 LEU 54 HD23 LEU 54 -13.180 -11.892 9.748 401 H SER 55 HN SER 55 -11.642 -8.572 10.166 402 HA SER 55 HA SER 55 -8.670 -8.292 9.793 403 HB2 SER 55 HB2 SER 55 -8.661 -7.105 11.921 404 HB3 SER 55 HB1 SER 55 -9.834 -6.349 10.847 405 HG SER 55 HG SER 55 -11.455 -7.562 11.909 406 H TYR 56 HN TYR 56 -7.476 -9.999 10.505 407 HA TYR 56 HA TYR 56 -8.412 -11.566 12.841 408 HB2 TYR 56 HB2 TYR 56 -9.215 -12.547 10.512 409 HB3 TYR 56 HB1 TYR 56 -7.549 -13.107 10.395 410 HD1 TYR 56 HD1 TYR 56 -6.597 -14.358 12.466 411 HD2 TYR 56 HD2 TYR 56 -10.786 -13.819 11.732 412 HE1 TYR 56 HE1 TYR 56 -7.101 -16.244 13.996 413 HE2 TYR 56 HE2 TYR 56 -11.294 -15.706 13.257 414 HH TYR 56 HH TYR 56 -9.647 -16.786 15.456 415 H LYS 57 HN LYS 57 -6.671 -11.749 14.153 416 HA LYS 57 HA LYS 57 -4.455 -11.840 14.887 417 HB2 LYS 57 HB2 LYS 57 -4.621 -13.989 13.583 418 HB3 LYS 57 HB1 LYS 57 -3.920 -13.136 12.210 419 HG2 LYS 57 HG2 LYS 57 -1.894 -12.678 13.456 420 HG3 LYS 57 HG1 LYS 57 -2.616 -13.292 14.941 421 HD2 LYS 57 HD2 LYS 57 -2.798 -15.537 13.920 422 HD3 LYS 57 HD1 LYS 57 -2.046 -14.921 12.449 423 HE2 LYS 57 HE2 LYS 57 -0.444 -16.087 14.010 424 HE3 LYS 57 HE1 LYS 57 0.008 -14.426 13.624 425 HZ1 LYS 57 HZ1 LYS 57 -0.397 -13.734 15.711 426 HZ2 LYS 57 HZ2 LYS 57 -0.137 -15.367 16.102 427 HZ3 LYS 57 HZ3 LYS 57 -1.719 -14.772 15.932 428 H ASP 58 HN ASP 58 -4.836 -9.386 14.276 429 HA ASP 58 HA ASP 58 -3.934 -7.389 13.451 430 HB2 ASP 58 HB2 ASP 58 -2.047 -8.234 14.789 431 HB3 ASP 58 HB1 ASP 58 -1.443 -9.110 13.381 432 H ARG 59 HN ARG 59 -4.606 -9.747 11.377 433 HA ARG 59 HA ARG 59 -3.212 -8.458 9.047 434 HB2 ARG 59 HB2 ARG 59 -4.419 -11.219 9.355 435 HB3 ARG 59 HB1 ARG 59 -3.851 -10.558 7.825 436 HG2 ARG 59 HG2 ARG 59 -1.612 -10.425 8.585 437 HG3 ARG 59 HG1 ARG 59 -2.076 -10.654 10.264 438 HD2 ARG 59 HD2 ARG 59 -2.875 -12.946 9.690 439 HD3 ARG 59 HD1 ARG 59 -2.269 -12.708 8.054 440 HE ARG 59 HE ARG 59 -0.069 -12.173 9.646 441 HH11 ARG 59 HH21 ARG 59 -2.358 -14.729 9.321 442 HH12 ARG 59 HH22 ARG 59 -1.248 -15.966 9.809 443 HH21 ARG 59 HH11 ARG 59 1.395 -13.771 10.287 444 HH22 ARG 59 HH12 ARG 59 0.878 -15.423 10.357 445 H HIS 60 HN HIS 60 -4.620 -8.402 7.038 446 HA HIS 60 HA HIS 60 -7.499 -7.905 7.750 447 HB2 HIS 60 HB2 HIS 60 -5.684 -6.264 5.964 448 HB3 HIS 60 HB1 HIS 60 -7.431 -6.050 6.070 449 HD2 HIS 60 HD2 HIS 60 -8.359 -5.066 8.622 450 HE1 HIS 60 HE1 HIS 60 -4.519 -4.012 10.022 451 HE2 HIS 60 HE2 HIS 60 -7.011 -3.800 10.464 452 H TRP 61 HN TRP 61 -9.008 -8.368 6.104 453 HA TRP 61 HA TRP 61 -8.114 -9.490 3.540 454 HB2 TRP 61 HB2 TRP 61 -8.948 -11.168 5.873 455 HB3 TRP 61 HB1 TRP 61 -9.623 -11.632 4.316 456 HD1 TRP 61 HD1 TRP 61 -7.493 -11.573 2.299 457 HE1 TRP 61 HE1 TRP 61 -5.276 -12.876 2.502 458 HE3 TRP 61 HE3 TRP 61 -7.304 -12.214 7.364 459 HZ2 TRP 61 HZ2 TRP 61 -3.636 -14.028 4.540 460 HZ3 TRP 61 HZ3 TRP 61 -5.404 -13.414 8.408 461 HH2 TRP 61 HH2 TRP 61 -3.573 -14.324 7.003 462 H HIS 62 HN HIS 62 -9.884 -9.606 2.054 463 HA HIS 62 HA HIS 62 -12.239 -8.036 2.779 464 HB2 HIS 62 HB2 HIS 62 -11.540 -9.721 0.356 465 HB3 HIS 62 HB1 HIS 62 -13.098 -8.938 0.525 466 HD2 HIS 62 HD2 HIS 62 -12.682 -5.964 1.023 467 HE1 HIS 62 HE1 HIS 62 -9.288 -5.968 -1.486 468 HE2 HIS 62 HE2 HIS 62 -11.016 -4.497 -0.349 469 H GLU 63 HN GLU 63 -14.068 -8.948 3.758 470 HA GLU 63 HA GLU 63 -14.193 -11.435 4.936 471 HB2 GLU 63 HB2 GLU 63 -15.916 -9.454 4.919 472 HB3 GLU 63 HB1 GLU 63 -16.692 -10.364 3.625 473 HG2 GLU 63 HG2 GLU 63 -16.642 -12.380 5.184 474 HG3 GLU 63 HG1 GLU 63 -16.173 -11.265 6.469 475 H ALA 64 HN ALA 64 -14.564 -10.779 1.521 476 HA ALA 64 HA ALA 64 -15.604 -13.496 0.962 477 HB1 ALA 64 HB1 ALA 64 -14.774 -11.404 -1.054 478 HB2 ALA 64 HB2 ALA 64 -16.355 -11.394 -0.272 479 HB3 ALA 64 HB3 ALA 64 -15.881 -12.757 -1.285 480 H CYS 65 HN CYS 65 -12.528 -11.842 1.002 481 HA CYS 65 HA CYS 65 -11.227 -13.708 -0.845 482 HB2 CYS 65 HB2 CYS 65 -10.245 -11.527 0.980 483 HB3 CYS 65 HB1 CYS 65 -9.119 -12.603 0.160 484 H PHE 66 HN PHE 66 -11.685 -13.490 2.620 485 HA PHE 66 HA PHE 66 -9.665 -15.448 3.289 486 HB2 PHE 66 HB2 PHE 66 -10.978 -13.655 4.736 487 HB3 PHE 66 HB1 PHE 66 -12.101 -14.982 4.992 488 HD1 PHE 66 HD2 PHE 66 -10.707 -17.340 5.393 489 HD2 PHE 66 HD1 PHE 66 -9.407 -13.393 6.434 490 HE1 PHE 66 HE2 PHE 66 -9.209 -18.297 7.102 491 HE2 PHE 66 HE1 PHE 66 -7.889 -14.348 8.149 492 HZ PHE 66 HZ PHE 66 -7.788 -16.804 8.476 493 H HIS 67 HN HIS 67 -9.909 -17.404 2.218 494 HA HIS 67 HA HIS 67 -12.263 -19.012 2.944 495 HB2 HIS 67 HB2 HIS 67 -12.589 -19.660 0.497 496 HB3 HIS 67 HB1 HIS 67 -13.117 -18.036 0.935 497 HD2 HIS 67 HD2 HIS 67 -12.472 -16.819 -1.527 498 HE1 HIS 67 HE1 HIS 67 -8.358 -17.765 -1.470 499 HE2 HIS 67 HE2 HIS 67 -10.158 -16.439 -2.674 500 H CYS 68 HN CYS 68 -12.003 -21.305 1.895 501 HA CYS 68 HA CYS 68 -9.300 -22.227 2.568 502 HB2 CYS 68 HB2 CYS 68 -11.061 -23.654 3.324 503 HB3 CYS 68 HB1 CYS 68 -11.857 -23.634 1.756 504 H SER 69 HN SER 69 -7.825 -23.131 1.077 505 HA SER 69 HA SER 69 -8.010 -22.135 -1.629 506 HB2 SER 69 HB2 SER 69 -5.892 -22.590 -0.231 507 HB3 SER 69 HB1 SER 69 -6.095 -24.274 -0.694 508 HG SER 69 HG SER 69 -5.392 -23.790 -2.612 509 H GLN 70 HN GLN 70 -8.936 -25.148 -0.113 510 HA GLN 70 HA GLN 70 -9.172 -26.503 -2.760 511 HB2 GLN 70 HB2 GLN 70 -9.735 -27.648 -0.017 512 HB3 GLN 70 HB1 GLN 70 -9.488 -28.539 -1.517 513 HG2 GLN 70 HG2 GLN 70 -7.361 -26.714 -0.406 514 HG3 GLN 70 HG1 GLN 70 -7.486 -28.386 0.113 515 HE21 GLN 70 HE21 GLN 70 -5.835 -26.493 -2.002 516 HE22 GLN 70 HE22 GLN 70 -5.553 -27.610 -3.242 517 H CYS 71 HN CYS 71 -11.214 -25.823 0.090 518 HA CYS 71 HA CYS 71 -13.628 -26.572 -1.463 519 HB2 CYS 71 HB2 CYS 71 -13.675 -25.423 1.325 520 HB3 CYS 71 HB1 CYS 71 -14.793 -26.563 0.572 521 H ARG 72 HN ARG 72 -11.827 -23.766 -0.994 522 HA ARG 72 HA ARG 72 -12.318 -21.503 -1.303 523 HB2 ARG 72 HB2 ARG 72 -14.667 -22.394 -2.966 524 HB3 ARG 72 HB1 ARG 72 -13.572 -21.038 -3.229 525 HG2 ARG 72 HG2 ARG 72 -11.719 -22.805 -3.510 526 HG3 ARG 72 HG1 ARG 72 -13.030 -23.977 -3.652 527 HD2 ARG 72 HD2 ARG 72 -12.512 -23.308 -5.887 528 HD3 ARG 72 HD1 ARG 72 -14.003 -22.465 -5.467 529 HE ARG 72 HE ARG 72 -12.006 -20.679 -4.752 530 HH11 ARG 72 HH21 ARG 72 -12.871 -22.477 -7.565 531 HH12 ARG 72 HH22 ARG 72 -12.249 -21.298 -8.671 532 HH21 ARG 72 HH11 ARG 72 -11.190 -19.130 -6.180 533 HH22 ARG 72 HH12 ARG 72 -11.299 -19.403 -7.887 534 H ASN 73 HN ASN 73 -13.879 -23.215 0.755 535 HA ASN 73 HA ASN 73 -16.444 -21.925 1.077 536 HB2 ASN 73 HB2 ASN 73 -14.593 -23.411 2.944 537 HB3 ASN 73 HB1 ASN 73 -16.083 -22.674 3.530 538 HD21 ASN 73 HD21 ASN 73 -17.891 -23.187 1.547 539 HD22 ASN 73 HD22 ASN 73 -18.064 -24.855 1.299 540 H SER 74 HN SER 74 -16.904 -20.123 2.515 541 HA SER 74 HA SER 74 -14.634 -18.243 2.709 542 HB2 SER 74 HB2 SER 74 -17.482 -17.825 3.650 543 HB3 SER 74 HB1 SER 74 -16.281 -16.589 3.287 544 HG SER 74 HG SER 74 -17.810 -16.962 1.578 545 H LEU 75 HN LEU 75 -13.294 -18.991 4.404 546 HA LEU 75 HA LEU 75 -14.480 -19.764 6.973 547 HB2 LEU 75 HB2 LEU 75 -11.569 -19.195 6.432 548 HB3 LEU 75 HB1 LEU 75 -12.255 -20.217 7.683 549 HG LEU 75 HG LEU 75 -12.731 -20.851 4.765 550 HD11 LEU 75 HD11 LEU 75 -10.194 -21.152 6.303 551 HD12 LEU 75 HD12 LEU 75 -10.452 -20.912 4.579 552 HD13 LEU 75 HD13 LEU 75 -10.693 -22.504 5.290 553 HD21 LEU 75 HD21 LEU 75 -12.534 -22.511 7.286 554 HD22 LEU 75 HD22 LEU 75 -12.922 -23.126 5.679 555 HD23 LEU 75 HD23 LEU 75 -14.029 -22.019 6.491 556 H VAL 76 HN VAL 76 -15.205 -18.182 8.288 557 HA VAL 76 HA VAL 76 -13.470 -15.821 8.778 558 HB VAL 76 HB VAL 76 -16.428 -15.728 8.089 559 HG11 VAL 76 HG11 VAL 76 -14.616 -13.699 9.398 560 HG12 VAL 76 HG12 VAL 76 -16.189 -14.269 9.951 561 HG13 VAL 76 HG13 VAL 76 -16.079 -13.227 8.533 562 HG21 VAL 76 HG21 VAL 76 -15.080 -15.643 6.111 563 HG22 VAL 76 HG22 VAL 76 -13.909 -14.567 6.872 564 HG23 VAL 76 HG23 VAL 76 -15.516 -13.972 6.467 565 H ASP 77 HN ASP 77 -13.289 -15.531 10.986 566 HA ASP 77 HA ASP 77 -13.596 -16.046 13.262 567 HB2 ASP 77 HB2 ASP 77 -15.558 -14.625 13.039 568 HB3 ASP 77 HB1 ASP 77 -16.484 -15.944 12.328 569 H LYS 78 HN LYS 78 -13.712 -18.171 10.960 570 HA LYS 78 HA LYS 78 -14.825 -20.451 12.539 571 HB2 LYS 78 HB2 LYS 78 -14.323 -19.940 9.610 572 HB3 LYS 78 HB1 LYS 78 -14.350 -21.602 10.185 573 HG2 LYS 78 HG2 LYS 78 -16.619 -21.050 11.245 574 HG3 LYS 78 HG1 LYS 78 -16.577 -19.558 10.309 575 HD2 LYS 78 HD2 LYS 78 -15.926 -21.677 8.480 576 HD3 LYS 78 HD1 LYS 78 -17.307 -22.232 9.417 577 HE2 LYS 78 HE2 LYS 78 -17.132 -19.609 7.905 578 HE3 LYS 78 HE1 LYS 78 -18.038 -21.036 7.402 579 HZ1 LYS 78 HZ1 LYS 78 -19.410 -19.350 8.541 580 HZ2 LYS 78 HZ2 LYS 78 -18.489 -19.580 9.950 581 HZ3 LYS 78 HZ3 LYS 78 -19.423 -20.854 9.325 582 HA PRO 79 HA PRO 79 -10.631 -21.770 13.234 583 HB2 PRO 79 HB2 PRO 79 -10.954 -24.566 12.945 584 HB3 PRO 79 HB1 PRO 79 -11.172 -23.652 14.444 585 HG2 PRO 79 HG2 PRO 79 -13.230 -24.826 12.673 586 HG3 PRO 79 HG1 PRO 79 -13.378 -24.307 14.360 587 HD2 PRO 79 HD2 PRO 79 -14.396 -22.919 12.104 588 HD3 PRO 79 HD1 PRO 79 -14.223 -22.267 13.747 589 H PHE 80 HN PHE 80 -8.869 -21.942 11.812 590 HA PHE 80 HA PHE 80 -9.172 -23.469 9.291 591 HB2 PHE 80 HB2 PHE 80 -8.339 -21.536 7.927 592 HB3 PHE 80 HB1 PHE 80 -9.952 -21.268 8.600 593 HD1 PHE 80 HD1 PHE 80 -6.310 -20.569 9.206 594 HD2 PHE 80 HD2 PHE 80 -10.368 -19.407 9.980 595 HE1 PHE 80 HE1 PHE 80 -5.513 -18.530 10.367 596 HE2 PHE 80 HE2 PHE 80 -9.569 -17.369 11.140 597 HZ PHE 80 HZ PHE 80 -7.135 -16.929 11.330 598 H ALA 81 HN ALA 81 -7.118 -23.887 8.269 599 HA ALA 81 HA ALA 81 -4.852 -23.758 10.193 600 HB1 ALA 81 HB1 ALA 81 -5.576 -25.902 8.909 601 HB2 ALA 81 HB2 ALA 81 -3.859 -25.505 8.953 602 HB3 ALA 81 HB3 ALA 81 -4.810 -25.149 7.510 603 H ALA 82 HN ALA 82 -3.614 -21.975 9.988 604 HA ALA 82 HA ALA 82 -3.599 -20.408 7.524 605 HB1 ALA 82 HB1 ALA 82 -2.241 -20.151 10.207 606 HB2 ALA 82 HB2 ALA 82 -3.452 -19.098 9.481 607 HB3 ALA 82 HB3 ALA 82 -1.803 -19.093 8.864 608 H LYS 83 HN LYS 83 -2.502 -21.319 5.853 609 HA LYS 83 HA LYS 83 0.078 -22.694 6.332 610 HB2 LYS 83 HB2 LYS 83 -1.404 -23.803 4.783 611 HB3 LYS 83 HB1 LYS 83 -1.631 -22.327 3.857 612 HG2 LYS 83 HG2 LYS 83 0.522 -22.397 2.938 613 HG3 LYS 83 HG1 LYS 83 1.138 -23.451 4.213 614 HD2 LYS 83 HD2 LYS 83 -0.048 -25.342 3.344 615 HD3 LYS 83 HD1 LYS 83 -0.983 -24.331 2.242 616 HE2 LYS 83 HE2 LYS 83 0.998 -23.806 0.947 617 HE3 LYS 83 HE1 LYS 83 2.032 -24.628 2.116 618 HZ1 LYS 83 HZ1 LYS 83 0.277 -26.550 1.510 619 HZ2 LYS 83 HZ2 LYS 83 1.775 -26.354 0.734 620 HZ3 LYS 83 HZ3 LYS 83 0.361 -25.732 0.027 621 H GLU 84 HN GLU 84 1.955 -22.007 4.985 622 HA GLU 84 HA GLU 84 2.903 -19.516 5.448 623 HB2 GLU 84 HB2 GLU 84 3.290 -21.223 2.989 624 HB3 GLU 84 HB1 GLU 84 4.193 -19.730 3.237 625 HG2 GLU 84 HG2 GLU 84 5.027 -20.591 5.396 626 HG3 GLU 84 HG1 GLU 84 4.131 -22.089 5.140 627 H ASP 85 HN ASP 85 1.246 -20.199 2.311 628 HA ASP 85 HA ASP 85 0.509 -17.283 2.227 629 HB2 ASP 85 HB2 ASP 85 1.606 -19.148 0.138 630 HB3 ASP 85 HB1 ASP 85 0.558 -17.826 -0.362 631 H GLN 86 HN GLN 86 -0.800 -20.296 2.653 632 HA GLN 86 HA GLN 86 -3.351 -19.498 1.268 633 HB2 GLN 86 HB2 GLN 86 -2.447 -22.346 1.686 634 HB3 GLN 86 HB1 GLN 86 -3.747 -21.755 0.655 635 HG2 GLN 86 HG2 GLN 86 -0.816 -21.099 0.242 636 HG3 GLN 86 HG1 GLN 86 -1.686 -22.368 -0.600 637 HE21 GLN 86 HE21 GLN 86 -0.547 -19.504 -1.365 638 HE22 GLN 86 HE22 GLN 86 -1.818 -18.847 -2.280 639 H LEU 87 HN LEU 87 -5.247 -20.699 2.143 640 HA LEU 87 HA LEU 87 -5.081 -21.220 5.073 641 HB2 LEU 87 HB2 LEU 87 -7.032 -19.471 3.550 642 HB3 LEU 87 HB1 LEU 87 -7.507 -20.235 5.065 643 HG LEU 87 HG LEU 87 -4.896 -18.743 4.981 644 HD11 LEU 87 HD11 LEU 87 -6.185 -17.013 4.069 645 HD12 LEU 87 HD12 LEU 87 -6.318 -16.713 5.801 646 HD13 LEU 87 HD13 LEU 87 -7.638 -17.503 4.937 647 HD21 LEU 87 HD21 LEU 87 -5.881 -20.142 6.942 648 HD22 LEU 87 HD22 LEU 87 -6.955 -18.769 7.172 649 HD23 LEU 87 HD23 LEU 87 -5.212 -18.551 7.293 650 H LEU 88 HN LEU 88 -6.089 -23.119 5.615 651 HA LEU 88 HA LEU 88 -7.845 -24.428 3.558 652 HB2 LEU 88 HB2 LEU 88 -5.514 -25.594 5.102 653 HB3 LEU 88 HB1 LEU 88 -6.688 -26.581 4.239 654 HG LEU 88 HG LEU 88 -5.343 -24.330 2.755 655 HD11 LEU 88 HD11 LEU 88 -3.548 -25.963 2.077 656 HD12 LEU 88 HD12 LEU 88 -4.075 -26.994 3.407 657 HD13 LEU 88 HD13 LEU 88 -3.428 -25.388 3.740 658 HD21 LEU 88 HD21 LEU 88 -5.575 -25.938 0.882 659 HD22 LEU 88 HD22 LEU 88 -7.123 -25.586 1.650 660 HD23 LEU 88 HD23 LEU 88 -6.293 -27.104 1.993 661 H CYS 89 HN CYS 89 -9.117 -26.269 4.566 662 HA CYS 89 HA CYS 89 -10.198 -25.372 7.157 663 HB2 CYS 89 HB2 CYS 89 -11.034 -27.847 5.626 664 HB3 CYS 89 HB1 CYS 89 -11.978 -26.906 6.776 665 H THR 90 HN THR 90 -9.881 -26.501 9.093 666 HA THR 90 HA THR 90 -7.569 -27.994 9.516 667 HB THR 90 HB THR 90 -8.382 -28.417 11.653 668 HG1 THR 90 HG1 THR 90 -9.900 -29.919 11.236 669 HG21 THR 90 HG21 THR 90 -8.887 -26.008 10.948 670 HG22 THR 90 HG22 THR 90 -9.775 -26.613 12.347 671 HG23 THR 90 HG23 THR 90 -10.565 -26.523 10.773 672 H ASP 91 HN ASP 91 -10.392 -28.950 7.862 673 HA ASP 91 HA ASP 91 -9.961 -31.842 8.194 674 HB2 ASP 91 HB2 ASP 91 -11.705 -30.387 6.196 675 HB3 ASP 91 HB1 ASP 91 -11.801 -32.092 6.627 676 H CYS 92 HN CYS 92 -9.659 -29.445 5.563 677 HA CYS 92 HA CYS 92 -8.337 -31.313 3.784 678 HB2 CYS 92 HB2 CYS 92 -8.030 -28.330 3.510 679 HB3 CYS 92 HB1 CYS 92 -8.250 -29.546 2.253 680 H TYR 93 HN TYR 93 -7.257 -28.790 6.037 681 HA TYR 93 HA TYR 93 -4.504 -28.792 5.359 682 HB2 TYR 93 HB2 TYR 93 -5.690 -27.239 6.975 683 HB3 TYR 93 HB1 TYR 93 -5.620 -28.540 8.158 684 HD1 TYR 93 HD2 TYR 93 -3.401 -26.652 5.787 685 HD2 TYR 93 HD1 TYR 93 -3.732 -28.746 9.525 686 HE1 TYR 93 HE2 TYR 93 -1.058 -26.051 6.334 687 HE2 TYR 93 HE1 TYR 93 -1.391 -28.149 10.068 688 HH TYR 93 HH TYR 93 0.797 -27.443 8.245 689 H SER 94 HN SER 94 -6.231 -30.711 7.797 690 HA SER 94 HA SER 94 -3.980 -32.253 8.633 691 HB2 SER 94 HB2 SER 94 -6.163 -32.140 9.853 692 HB3 SER 94 HB1 SER 94 -6.892 -33.111 8.577 693 HG SER 94 HG SER 94 -4.680 -34.335 9.312 694 H ASN 95 HN ASN 95 -5.834 -32.318 5.739 695 HA ASN 95 HA ASN 95 -5.322 -35.111 5.077 696 HB2 ASN 95 HB2 ASN 95 -7.215 -33.605 4.172 697 HB3 ASN 95 HB1 ASN 95 -5.993 -32.927 3.098 698 HD21 ASN 95 HD21 ASN 95 -8.406 -34.789 2.569 699 HD22 ASN 95 HD22 ASN 95 -7.737 -36.077 1.689 700 H GLU 96 HN GLU 96 -3.707 -32.031 4.514 701 HA GLU 96 HA GLU 96 -1.694 -33.369 2.755 702 HB2 GLU 96 HB2 GLU 96 -1.221 -30.513 3.309 703 HB3 GLU 96 HB1 GLU 96 -1.428 -31.327 1.760 704 HG2 GLU 96 HG2 GLU 96 -3.660 -30.471 3.624 705 HG3 GLU 96 HG1 GLU 96 -3.205 -29.673 2.121 706 H TYR 97 HN TYR 97 -1.999 -31.606 5.814 707 HA TYR 97 HA TYR 97 0.760 -31.596 6.530 708 HB2 TYR 97 HB2 TYR 97 -0.867 -30.280 7.769 709 HB3 TYR 97 HB1 TYR 97 -1.737 -31.733 8.242 710 HD1 TYR 97 HD2 TYR 97 1.550 -29.992 8.554 711 HD2 TYR 97 HD1 TYR 97 -1.093 -32.981 10.150 712 HE1 TYR 97 HE2 TYR 97 3.023 -30.237 10.534 713 HE2 TYR 97 HE1 TYR 97 0.381 -33.223 12.132 714 HH TYR 97 HH TYR 97 3.455 -31.458 12.362 715 H SER 98 HN SER 98 -1.581 -34.096 6.350 716 HA SER 98 HA SER 98 -0.673 -35.953 8.266 717 HB2 SER 98 HB2 SER 98 -1.831 -36.327 5.501 718 HB3 SER 98 HB1 SER 98 -1.421 -37.702 6.523 719 HG SER 98 HG SER 98 -2.746 -36.593 8.160 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -11.433 33.303 0.153 2 H2 MET 1 HT2 MET 1 -12.523 32.357 1.049 3 H3 MET 1 HT3 MET 1 -12.378 32.133 -0.629 4 HA MET 1 HA MET 1 -10.299 31.555 1.409 5 HB2 MET 1 HB2 MET 1 -10.668 29.201 0.333 6 HB3 MET 1 HB1 MET 1 -11.842 29.784 1.511 7 HG2 MET 1 HG2 MET 1 -12.219 30.305 -1.437 8 HG3 MET 1 HG1 MET 1 -12.754 28.795 -0.701 9 HE1 MET 1 HE1 MET 1 -15.350 28.746 -0.471 10 HE2 MET 1 HE2 MET 1 -14.868 29.649 -1.906 11 HE3 MET 1 HE3 MET 1 -16.173 30.255 -0.889 12 H THR 2 HN THR 2 -8.654 32.719 0.316 13 HA THR 2 HA THR 2 -8.202 32.499 -2.528 14 HB THR 2 HB THR 2 -7.360 34.353 -1.034 15 HG1 THR 2 HG1 THR 2 -5.649 32.886 -2.725 16 HG21 THR 2 HG21 THR 2 -6.548 32.677 0.726 17 HG22 THR 2 HG22 THR 2 -5.468 34.022 0.356 18 HG23 THR 2 HG23 THR 2 -5.153 32.425 -0.324 19 H GLU 3 HN GLU 3 -7.181 30.668 0.272 20 HA GLU 3 HA GLU 3 -4.957 29.270 -0.623 21 HB2 GLU 3 HB2 GLU 3 -5.592 27.491 0.855 22 HB3 GLU 3 HB1 GLU 3 -6.157 28.985 1.591 23 HG2 GLU 3 HG2 GLU 3 -8.397 28.515 0.385 24 HG3 GLU 3 HG1 GLU 3 -7.776 26.882 0.147 25 H ARG 4 HN ARG 4 -4.964 26.912 -1.338 26 HA ARG 4 HA ARG 4 -6.510 26.746 -3.857 27 HB2 ARG 4 HB2 ARG 4 -4.211 25.101 -2.774 28 HB3 ARG 4 HB1 ARG 4 -4.899 24.946 -4.386 29 HG2 ARG 4 HG2 ARG 4 -3.817 27.566 -3.317 30 HG3 ARG 4 HG1 ARG 4 -2.801 26.414 -4.175 31 HD2 ARG 4 HD2 ARG 4 -5.024 26.678 -5.863 32 HD3 ARG 4 HD1 ARG 4 -4.785 28.309 -5.253 33 HE ARG 4 HE ARG 4 -3.250 27.141 -7.286 34 HH11 ARG 4 HH21 ARG 4 -2.665 28.529 -4.176 35 HH12 ARG 4 HH22 ARG 4 -1.035 28.973 -4.545 36 HH21 ARG 4 HH11 ARG 4 -1.137 27.727 -7.772 37 HH22 ARG 4 HH12 ARG 4 -0.173 28.525 -6.575 38 H PHE 5 HN PHE 5 -7.975 25.107 -4.253 39 HA PHE 5 HA PHE 5 -8.644 23.316 -1.941 40 HB2 PHE 5 HB2 PHE 5 -10.304 25.093 -2.987 41 HB3 PHE 5 HB1 PHE 5 -10.527 23.871 -4.231 42 HD1 PHE 5 HD1 PHE 5 -10.567 24.396 -0.542 43 HD2 PHE 5 HD2 PHE 5 -11.960 22.028 -3.836 44 HE1 PHE 5 HE1 PHE 5 -12.079 23.174 0.983 45 HE2 PHE 5 HE2 PHE 5 -13.485 20.800 -2.305 46 HZ PHE 5 HZ PHE 5 -13.537 21.358 0.096 47 H ASP 6 HN ASP 6 -6.703 22.151 -3.033 48 HA ASP 6 HA ASP 6 -7.847 20.118 -4.901 49 HB2 ASP 6 HB2 ASP 6 -5.002 21.089 -5.184 50 HB3 ASP 6 HB1 ASP 6 -5.958 20.137 -6.322 51 H CYS 7 HN CYS 7 -6.960 18.050 -4.654 52 HA CYS 7 HA CYS 7 -6.201 17.338 -2.022 53 HB2 CYS 7 HB2 CYS 7 -7.136 15.662 -3.394 54 HB3 CYS 7 HB1 CYS 7 -5.994 15.963 -4.688 55 H HIS 8 HN HIS 8 -4.363 18.309 -1.203 56 HA HIS 8 HA HIS 8 -2.123 19.261 -2.501 57 HB2 HIS 8 HB2 HIS 8 -2.660 19.379 -0.038 58 HB3 HIS 8 HB1 HIS 8 -1.974 17.780 0.128 59 HD2 HIS 8 HD2 HIS 8 -0.492 20.925 -1.836 60 HE1 HIS 8 HE1 HIS 8 2.448 19.393 0.778 61 HE2 HIS 8 HE2 HIS 8 1.970 21.147 -0.994 62 H HIS 9 HN HIS 9 -2.981 15.922 -2.055 63 HA HIS 9 HA HIS 9 -0.231 15.023 -2.650 64 HB2 HIS 9 HB2 HIS 9 -1.484 13.751 -1.024 65 HB3 HIS 9 HB1 HIS 9 -2.794 13.496 -2.156 66 HD2 HIS 9 HD2 HIS 9 -1.722 10.663 -1.478 67 HE1 HIS 9 HE1 HIS 9 1.068 10.973 -4.627 68 HE2 HIS 9 HE2 HIS 9 -0.076 9.365 -3.031 69 H CYS 10 HN CYS 10 -3.400 14.198 -4.198 70 HA CYS 10 HA CYS 10 -2.006 13.601 -6.711 71 HB2 CYS 10 HB2 CYS 10 -4.992 13.865 -6.347 72 HB3 CYS 10 HB1 CYS 10 -4.130 12.909 -7.548 73 H ASN 11 HN ASN 11 -3.064 16.370 -5.231 74 HA ASN 11 HA ASN 11 -3.454 18.555 -5.930 75 HB2 ASN 11 HB2 ASN 11 -1.251 18.401 -6.842 76 HB3 ASN 11 HB1 ASN 11 -1.832 17.497 -8.229 77 HD21 ASN 11 HD21 ASN 11 -2.192 20.703 -6.641 78 HD22 ASN 11 HD22 ASN 11 -2.488 21.552 -8.080 79 H GLU 12 HN GLU 12 -5.285 16.231 -6.841 80 HA GLU 12 HA GLU 12 -6.510 17.459 -9.255 81 HB2 GLU 12 HB2 GLU 12 -7.895 15.501 -9.368 82 HB3 GLU 12 HB1 GLU 12 -6.272 14.936 -8.983 83 HG2 GLU 12 HG2 GLU 12 -6.969 15.014 -6.533 84 HG3 GLU 12 HG1 GLU 12 -8.615 15.240 -7.093 85 H SER 13 HN SER 13 -8.324 18.734 -9.121 86 HA SER 13 HA SER 13 -9.146 19.996 -6.780 87 HB2 SER 13 HB2 SER 13 -10.017 20.953 -8.725 88 HB3 SER 13 HB1 SER 13 -10.560 19.402 -9.359 89 HG SER 13 HG SER 13 -11.752 21.124 -7.531 90 H LEU 14 HN LEU 14 -10.445 19.423 -5.037 91 HA LEU 14 HA LEU 14 -11.080 16.689 -4.551 92 HB2 LEU 14 HB2 LEU 14 -12.257 19.219 -3.394 93 HB3 LEU 14 HB1 LEU 14 -12.685 17.630 -2.820 94 HG LEU 14 HG LEU 14 -10.966 18.630 -1.422 95 HD11 LEU 14 HD11 LEU 14 -9.730 16.707 -1.180 96 HD12 LEU 14 HD12 LEU 14 -9.475 16.513 -2.912 97 HD13 LEU 14 HD13 LEU 14 -11.031 16.089 -2.194 98 HD21 LEU 14 HD21 LEU 14 -9.076 18.507 -3.747 99 HD22 LEU 14 HD22 LEU 14 -8.881 19.342 -2.208 100 HD23 LEU 14 HD23 LEU 14 -10.014 19.964 -3.406 101 H PHE 15 HN PHE 15 -12.793 15.484 -5.182 102 HA PHE 15 HA PHE 15 -14.446 16.545 -7.313 103 HB2 PHE 15 HB2 PHE 15 -15.256 14.195 -7.440 104 HB3 PHE 15 HB1 PHE 15 -13.505 14.343 -7.506 105 HD1 PHE 15 HD2 PHE 15 -12.143 13.964 -5.326 106 HD2 PHE 15 HD1 PHE 15 -16.309 12.958 -5.735 107 HE1 PHE 15 HE2 PHE 15 -11.988 12.493 -3.346 108 HE2 PHE 15 HE1 PHE 15 -16.139 11.474 -3.755 109 HZ PHE 15 HZ PHE 15 -13.980 11.243 -2.561 110 H GLY 16 HN GLY 16 -16.065 17.911 -6.572 111 HA2 GLY 16 HA2 GLY 16 -18.118 18.506 -5.592 112 HA3 GLY 16 HA1 GLY 16 -18.541 16.890 -6.127 113 H LYS 17 HN LYS 17 -16.176 16.704 -3.623 114 HA LYS 17 HA LYS 17 -18.394 16.442 -1.595 115 HB2 LYS 17 HB2 LYS 17 -17.873 14.251 -2.596 116 HB3 LYS 17 HB1 LYS 17 -16.194 14.428 -2.095 117 HG2 LYS 17 HG2 LYS 17 -16.673 14.145 0.150 118 HG3 LYS 17 HG1 LYS 17 -18.312 14.765 0.011 119 HD2 LYS 17 HD2 LYS 17 -18.577 12.439 0.393 120 HD3 LYS 17 HD1 LYS 17 -18.834 12.627 -1.337 121 HE2 LYS 17 HE2 LYS 17 -17.327 10.873 -1.391 122 HE3 LYS 17 HE1 LYS 17 -16.165 12.199 -1.362 123 HZ1 LYS 17 HZ1 LYS 17 -17.218 10.966 1.115 124 HZ2 LYS 17 HZ2 LYS 17 -15.846 11.951 0.931 125 HZ3 LYS 17 HZ3 LYS 17 -15.844 10.364 0.323 126 H LYS 18 HN LYS 18 -17.693 16.360 0.668 127 HA LYS 18 HA LYS 18 -15.883 18.404 1.280 128 HB2 LYS 18 HB2 LYS 18 -16.527 18.105 3.442 129 HB3 LYS 18 HB1 LYS 18 -17.798 17.184 2.652 130 HG2 LYS 18 HG2 LYS 18 -15.259 16.057 3.835 131 HG3 LYS 18 HG1 LYS 18 -16.865 15.988 4.501 132 HD2 LYS 18 HD2 LYS 18 -17.468 14.856 2.192 133 HD3 LYS 18 HD1 LYS 18 -15.743 14.482 2.187 134 HE2 LYS 18 HE2 LYS 18 -16.916 12.627 3.211 135 HE3 LYS 18 HE1 LYS 18 -16.016 13.476 4.468 136 HZ1 LYS 18 HZ1 LYS 18 -18.907 13.417 3.969 137 HZ2 LYS 18 HZ2 LYS 18 -18.229 14.802 4.681 138 HZ3 LYS 18 HZ3 LYS 18 -18.064 13.288 5.435 139 H TYR 19 HN TYR 19 -13.874 18.002 2.745 140 HA TYR 19 HA TYR 19 -12.336 15.640 1.728 141 HB2 TYR 19 HB2 TYR 19 -10.522 17.120 1.059 142 HB3 TYR 19 HB1 TYR 19 -12.017 17.607 0.262 143 HD1 TYR 19 HD1 TYR 19 -13.453 19.436 1.445 144 HD2 TYR 19 HD2 TYR 19 -9.314 18.703 2.312 145 HE1 TYR 19 HE1 TYR 19 -13.270 21.687 2.454 146 HE2 TYR 19 HE2 TYR 19 -9.133 20.970 3.314 147 HH TYR 19 HH TYR 19 -10.946 22.623 4.453 148 H ILE 20 HN ILE 20 -10.276 15.368 2.837 149 HA ILE 20 HA ILE 20 -10.459 16.139 5.725 150 HB ILE 20 HB ILE 20 -9.038 13.839 4.351 151 HG12 ILE 20 HG12 ILE 20 -11.351 13.584 6.275 152 HG13 ILE 20 HG11 ILE 20 -11.665 13.913 4.574 153 HG21 ILE 20 HG21 ILE 20 -9.236 14.710 7.238 154 HG22 ILE 20 HG22 ILE 20 -7.785 14.385 6.290 155 HG23 ILE 20 HG23 ILE 20 -8.830 13.053 6.785 156 HD11 ILE 20 HD11 ILE 20 -9.920 11.625 5.515 157 HD12 ILE 20 HD12 ILE 20 -10.534 11.909 3.886 158 HD13 ILE 20 HD13 ILE 20 -11.644 11.457 5.180 159 H LEU 21 HN LEU 21 -8.737 17.264 6.613 160 HA LEU 21 HA LEU 21 -6.544 18.051 4.788 161 HB2 LEU 21 HB2 LEU 21 -7.158 18.834 7.656 162 HB3 LEU 21 HB1 LEU 21 -5.714 19.354 6.777 163 HG LEU 21 HG LEU 21 -7.606 21.023 6.766 164 HD11 LEU 21 HD11 LEU 21 -5.774 20.698 4.927 165 HD12 LEU 21 HD12 LEU 21 -7.161 21.723 4.580 166 HD13 LEU 21 HD13 LEU 21 -7.104 20.085 3.950 167 HD21 LEU 21 HD21 LEU 21 -8.948 19.168 4.798 168 HD22 LEU 21 HD22 LEU 21 -9.607 20.602 5.582 169 HD23 LEU 21 HD23 LEU 21 -9.350 19.130 6.516 170 H ARG 22 HN ARG 22 -5.072 16.516 4.565 171 HA ARG 22 HA ARG 22 -4.313 14.862 6.917 172 HB2 ARG 22 HB2 ARG 22 -5.046 13.521 5.032 173 HB3 ARG 22 HB1 ARG 22 -4.026 14.439 3.950 174 HG2 ARG 22 HG2 ARG 22 -3.079 12.229 4.505 175 HG3 ARG 22 HG1 ARG 22 -2.041 13.564 4.972 176 HD2 ARG 22 HD2 ARG 22 -3.041 13.280 7.315 177 HD3 ARG 22 HD1 ARG 22 -3.868 11.866 6.697 178 HE ARG 22 HE ARG 22 -1.183 11.443 6.094 179 HH11 ARG 22 HH21 ARG 22 -3.050 12.207 8.890 180 HH12 ARG 22 HH22 ARG 22 -1.989 11.388 9.986 181 HH21 ARG 22 HH11 ARG 22 0.214 10.369 7.512 182 HH22 ARG 22 HH12 ARG 22 -0.142 10.347 9.207 183 H GLU 23 HN GLU 23 -2.187 14.938 7.658 184 HA GLU 23 HA GLU 23 -0.087 15.949 7.987 185 HB2 GLU 23 HB2 GLU 23 -0.202 15.643 4.973 186 HB3 GLU 23 HB1 GLU 23 1.222 16.278 5.799 187 HG2 GLU 23 HG2 GLU 23 1.260 14.201 7.206 188 HG3 GLU 23 HG1 GLU 23 -0.053 13.560 6.218 189 H GLU 24 HN GLU 24 -2.423 17.600 7.907 190 HA GLU 24 HA GLU 24 -3.013 19.859 7.866 191 HB2 GLU 24 HB2 GLU 24 -0.099 20.459 7.305 192 HB3 GLU 24 HB1 GLU 24 -1.280 21.473 8.131 193 HG2 GLU 24 HG2 GLU 24 -1.423 19.775 9.950 194 HG3 GLU 24 HG1 GLU 24 -0.154 18.848 9.148 195 H SER 25 HN SER 25 -3.026 18.251 5.419 196 HA SER 25 HA SER 25 -3.100 20.498 3.519 197 HB2 SER 25 HB2 SER 25 -1.757 17.985 2.571 198 HB3 SER 25 HB1 SER 25 -1.574 19.631 1.980 199 HG SER 25 HG SER 25 0.222 19.256 3.158 200 HA PRO 26 HA PRO 26 -6.858 18.342 2.456 201 HB2 PRO 26 HB2 PRO 26 -6.985 19.236 -0.258 202 HB3 PRO 26 HB1 PRO 26 -7.774 19.982 1.134 203 HG2 PRO 26 HG2 PRO 26 -5.394 20.890 -0.341 204 HG3 PRO 26 HG1 PRO 26 -6.394 21.785 0.809 205 HD2 PRO 26 HD2 PRO 26 -3.794 20.783 1.313 206 HD3 PRO 26 HD1 PRO 26 -4.940 21.373 2.536 207 H TYR 27 HN TYR 27 -6.972 16.207 1.948 208 HA TYR 27 HA TYR 27 -5.399 15.157 -0.390 209 HB2 TYR 27 HB2 TYR 27 -5.926 14.041 2.363 210 HB3 TYR 27 HB1 TYR 27 -5.830 12.914 1.024 211 HD1 TYR 27 HD2 TYR 27 -3.604 15.784 0.652 212 HD2 TYR 27 HD1 TYR 27 -4.028 11.953 2.426 213 HE1 TYR 27 HE2 TYR 27 -1.193 15.715 0.914 214 HE2 TYR 27 HE1 TYR 27 -1.587 11.860 2.738 215 HH TYR 27 HH TYR 27 0.414 14.447 2.571 216 H CYS 28 HN CYS 28 -6.659 13.842 -1.799 217 HA CYS 28 HA CYS 28 -9.508 14.300 -1.679 218 HB2 CYS 28 HB2 CYS 28 -9.662 12.676 -3.535 219 HB3 CYS 28 HB1 CYS 28 -8.385 13.839 -3.831 220 H VAL 29 HN VAL 29 -11.133 12.766 -1.057 221 HA VAL 29 HA VAL 29 -10.830 11.382 1.297 222 HB VAL 29 HB VAL 29 -12.515 10.297 -0.970 223 HG11 VAL 29 HG11 VAL 29 -12.401 9.068 1.208 224 HG12 VAL 29 HG12 VAL 29 -14.014 9.671 0.825 225 HG13 VAL 29 HG13 VAL 29 -13.013 10.516 2.007 226 HG21 VAL 29 HG21 VAL 29 -14.225 11.966 -0.060 227 HG22 VAL 29 HG22 VAL 29 -12.914 12.650 -1.015 228 HG23 VAL 29 HG23 VAL 29 -12.876 12.764 0.745 229 H VAL 30 HN VAL 30 -10.652 9.825 -1.905 230 HA VAL 30 HA VAL 30 -9.929 7.258 -1.191 231 HB VAL 30 HB VAL 30 -8.571 8.742 -3.443 232 HG11 VAL 30 HG11 VAL 30 -7.902 6.402 -3.012 233 HG12 VAL 30 HG12 VAL 30 -8.754 6.560 -4.548 234 HG13 VAL 30 HG13 VAL 30 -9.590 5.906 -3.139 235 HG21 VAL 30 HG21 VAL 30 -10.862 9.379 -3.638 236 HG22 VAL 30 HG22 VAL 30 -11.424 7.775 -3.168 237 HG23 VAL 30 HG23 VAL 30 -10.660 8.018 -4.739 238 H CYS 31 HN CYS 31 -7.589 9.941 -1.725 239 HA CYS 31 HA CYS 31 -5.223 8.593 -1.219 240 HB2 CYS 31 HB2 CYS 31 -6.121 11.381 -0.744 241 HB3 CYS 31 HB1 CYS 31 -4.692 10.885 0.154 242 H PHE 32 HN PHE 32 -6.944 10.355 1.367 243 HA PHE 32 HA PHE 32 -5.551 9.386 3.551 244 HB2 PHE 32 HB2 PHE 32 -7.490 11.029 3.562 245 HB3 PHE 32 HB1 PHE 32 -8.570 9.637 3.541 246 HD1 PHE 32 HD1 PHE 32 -8.361 7.898 5.370 247 HD2 PHE 32 HD2 PHE 32 -6.470 11.761 5.613 248 HE1 PHE 32 HE1 PHE 32 -8.120 7.631 7.825 249 HE2 PHE 32 HE2 PHE 32 -6.236 11.483 8.064 250 HZ PHE 32 HZ PHE 32 -7.059 9.423 9.170 251 H GLU 33 HN GLU 33 -8.311 7.660 2.003 252 HA GLU 33 HA GLU 33 -8.105 5.422 3.824 253 HB2 GLU 33 HB2 GLU 33 -9.293 5.258 1.054 254 HB3 GLU 33 HB1 GLU 33 -9.770 4.390 2.513 255 HG2 GLU 33 HG2 GLU 33 -10.249 6.809 3.445 256 HG3 GLU 33 HG1 GLU 33 -10.314 7.241 1.744 257 H THR 34 HN THR 34 -7.416 5.532 0.320 258 HA THR 34 HA THR 34 -6.132 3.067 0.130 259 HB THR 34 HB THR 34 -6.692 4.896 -1.678 260 HG1 THR 34 HG1 THR 34 -4.597 3.742 -2.723 261 HG21 THR 34 HG21 THR 34 -3.711 5.301 -1.452 262 HG22 THR 34 HG22 THR 34 -4.874 6.418 -0.749 263 HG23 THR 34 HG23 THR 34 -4.852 6.158 -2.489 264 H LEU 35 HN LEU 35 -4.610 6.160 1.029 265 HA LEU 35 HA LEU 35 -1.939 5.241 1.153 266 HB2 LEU 35 HB2 LEU 35 -3.345 7.306 2.853 267 HB3 LEU 35 HB1 LEU 35 -1.602 7.070 2.828 268 HG LEU 35 HG LEU 35 -3.166 7.626 0.300 269 HD11 LEU 35 HD11 LEU 35 -3.574 9.444 1.918 270 HD12 LEU 35 HD12 LEU 35 -2.568 9.988 0.578 271 HD13 LEU 35 HD13 LEU 35 -1.835 9.624 2.139 272 HD21 LEU 35 HD21 LEU 35 -0.973 6.833 -0.204 273 HD22 LEU 35 HD22 LEU 35 -0.250 7.751 1.116 274 HD23 LEU 35 HD23 LEU 35 -0.851 8.586 -0.313 275 H PHE 36 HN PHE 36 -4.187 5.547 3.927 276 HA PHE 36 HA PHE 36 -2.399 3.774 5.501 277 HB2 PHE 36 HB2 PHE 36 -4.914 5.001 6.593 278 HB3 PHE 36 HB1 PHE 36 -3.367 4.724 7.389 279 HD1 PHE 36 HD2 PHE 36 -1.499 5.877 5.340 280 HD2 PHE 36 HD1 PHE 36 -5.238 7.340 6.877 281 HE1 PHE 36 HE2 PHE 36 -0.826 8.187 4.777 282 HE2 PHE 36 HE1 PHE 36 -4.551 9.656 6.309 283 HZ PHE 36 HZ PHE 36 -2.354 10.071 5.250 284 H ALA 37 HN ALA 37 -4.996 3.269 3.482 285 HA ALA 37 HA ALA 37 -6.625 1.487 5.010 286 HB1 ALA 37 HB1 ALA 37 -7.560 2.105 2.946 287 HB2 ALA 37 HB2 ALA 37 -7.052 0.444 2.649 288 HB3 ALA 37 HB3 ALA 37 -6.066 1.785 2.068 289 H ASN 38 HN ASN 38 -6.624 -0.892 4.899 290 HA ASN 38 HA ASN 38 -3.899 -1.963 5.156 291 HB2 ASN 38 HB2 ASN 38 -6.658 -3.106 5.626 292 HB3 ASN 38 HB1 ASN 38 -5.192 -4.070 5.764 293 HD21 ASN 38 HD21 ASN 38 -7.305 -2.354 7.642 294 HD22 ASN 38 HD22 ASN 38 -6.260 -1.879 8.894 295 H THR 39 HN THR 39 -3.165 -3.836 3.942 296 HA THR 39 HA THR 39 -4.221 -3.862 1.165 297 HB THR 39 HB THR 39 -1.821 -5.394 2.186 298 HG1 THR 39 HG1 THR 39 -2.208 -2.681 1.920 299 HG21 THR 39 HG21 THR 39 -2.807 -5.743 -0.137 300 HG22 THR 39 HG22 THR 39 -1.105 -5.283 -0.093 301 HG23 THR 39 HG23 THR 39 -2.333 -4.081 -0.492 302 H CYS 40 HN CYS 40 -5.265 -5.624 0.289 303 HA CYS 40 HA CYS 40 -5.984 -7.839 2.119 304 HB2 CYS 40 HB2 CYS 40 -7.830 -7.048 0.843 305 HB3 CYS 40 HB1 CYS 40 -6.896 -7.006 -0.646 306 H GLU 41 HN GLU 41 -4.317 -9.203 2.315 307 HA GLU 41 HA GLU 41 -2.242 -9.809 0.609 308 HB2 GLU 41 HB2 GLU 41 -3.750 -11.816 2.303 309 HB3 GLU 41 HB1 GLU 41 -2.081 -11.957 1.754 310 HG2 GLU 41 HG2 GLU 41 -1.462 -9.952 3.018 311 HG3 GLU 41 HG1 GLU 41 -3.134 -9.720 3.517 312 H GLU 42 HN GLU 42 -5.571 -10.582 0.091 313 HA GLU 42 HA GLU 42 -4.946 -12.701 -1.880 314 HB2 GLU 42 HB2 GLU 42 -7.032 -12.570 -0.286 315 HB3 GLU 42 HB1 GLU 42 -7.684 -11.487 -1.511 316 HG2 GLU 42 HG2 GLU 42 -6.655 -14.288 -2.049 317 HG3 GLU 42 HG1 GLU 42 -8.355 -13.849 -1.890 318 H CYS 43 HN CYS 43 -6.797 -9.623 -2.030 319 HA CYS 43 HA CYS 43 -6.515 -9.481 -4.921 320 HB2 CYS 43 HB2 CYS 43 -7.314 -7.299 -2.970 321 HB3 CYS 43 HB1 CYS 43 -7.601 -7.303 -4.709 322 H GLY 44 HN GLY 44 -5.011 -7.833 -2.157 323 HA2 GLY 44 HA2 GLY 44 -2.713 -7.108 -2.120 324 HA3 GLY 44 HA1 GLY 44 -2.690 -7.147 -3.884 325 H LYS 45 HN LYS 45 -5.537 -5.758 -3.386 326 HA LYS 45 HA LYS 45 -4.419 -3.042 -3.665 327 HB2 LYS 45 HB2 LYS 45 -7.018 -4.382 -4.295 328 HB3 LYS 45 HB1 LYS 45 -7.105 -2.666 -3.919 329 HG2 LYS 45 HG2 LYS 45 -6.839 -2.789 -6.285 330 HG3 LYS 45 HG1 LYS 45 -5.264 -2.319 -5.663 331 HD2 LYS 45 HD2 LYS 45 -4.646 -4.026 -7.124 332 HD3 LYS 45 HD1 LYS 45 -4.835 -4.944 -5.636 333 HE2 LYS 45 HE2 LYS 45 -5.974 -6.068 -7.510 334 HE3 LYS 45 HE1 LYS 45 -7.144 -5.543 -6.301 335 HZ1 LYS 45 HZ1 LYS 45 -6.448 -3.822 -8.594 336 HZ2 LYS 45 HZ2 LYS 45 -7.836 -3.780 -7.614 337 HZ3 LYS 45 HZ3 LYS 45 -7.625 -5.034 -8.741 338 HA PRO 46 HA PRO 46 -5.311 -1.817 0.487 339 HB2 PRO 46 HB2 PRO 46 -6.629 0.682 -0.140 340 HB3 PRO 46 HB1 PRO 46 -4.956 0.442 0.379 341 HG2 PRO 46 HG2 PRO 46 -5.919 1.146 -2.262 342 HG3 PRO 46 HG1 PRO 46 -4.241 0.953 -1.733 343 HD2 PRO 46 HD2 PRO 46 -5.760 -0.824 -3.414 344 HD3 PRO 46 HD1 PRO 46 -4.095 -1.031 -2.837 345 H ILE 47 HN ILE 47 -7.043 -2.006 1.962 346 HA ILE 47 HA ILE 47 -9.745 -2.502 0.773 347 HB ILE 47 HB ILE 47 -8.854 -3.144 3.598 348 HG12 ILE 47 HG12 ILE 47 -8.692 -4.907 1.128 349 HG13 ILE 47 HG11 ILE 47 -7.318 -4.263 2.018 350 HG21 ILE 47 HG21 ILE 47 -10.714 -4.732 3.498 351 HG22 ILE 47 HG22 ILE 47 -10.999 -4.329 1.808 352 HG23 ILE 47 HG23 ILE 47 -11.295 -3.127 3.059 353 HD11 ILE 47 HD11 ILE 47 -8.655 -5.469 4.055 354 HD12 ILE 47 HD12 ILE 47 -7.428 -6.282 3.089 355 HD13 ILE 47 HD13 ILE 47 -9.134 -6.505 2.712 356 H GLY 48 HN GLY 48 -10.811 -0.549 0.745 357 HA2 GLY 48 HA2 GLY 48 -10.352 1.518 2.719 358 HA3 GLY 48 HA1 GLY 48 -11.641 1.521 1.516 359 H CYS 49 HN CYS 49 -11.781 2.196 4.397 360 HA CYS 49 HA CYS 49 -13.054 0.077 5.851 361 HB2 CYS 49 HB2 CYS 49 -12.123 2.266 6.790 362 HB3 CYS 49 HB1 CYS 49 -13.606 3.029 6.216 363 HG CYS 49 HG CYS 49 -14.830 1.062 7.741 364 H ASP 50 HN ASP 50 -14.123 2.002 3.230 365 HA ASP 50 HA ASP 50 -16.962 1.942 3.857 366 HB2 ASP 50 HB2 ASP 50 -15.805 3.565 2.259 367 HB3 ASP 50 HB1 ASP 50 -15.724 2.229 1.110 368 H CYS 51 HN CYS 51 -15.428 -0.622 3.936 369 HA CYS 51 HA CYS 51 -17.366 -2.225 2.404 370 HB2 CYS 51 HB2 CYS 51 -14.378 -2.375 1.895 371 HB3 CYS 51 HB1 CYS 51 -15.541 -3.578 1.337 372 HG CYS 51 HG CYS 51 -15.899 -2.090 -0.605 373 H LYS 52 HN LYS 52 -16.718 -4.687 2.837 374 HA LYS 52 HA LYS 52 -16.534 -4.932 5.747 375 HB2 LYS 52 HB2 LYS 52 -16.668 -7.075 3.602 376 HB3 LYS 52 HB1 LYS 52 -16.892 -7.339 5.329 377 HG2 LYS 52 HG2 LYS 52 -18.617 -5.307 3.919 378 HG3 LYS 52 HG1 LYS 52 -18.997 -7.020 3.756 379 HD2 LYS 52 HD2 LYS 52 -19.207 -7.268 6.159 380 HD3 LYS 52 HD1 LYS 52 -18.644 -5.619 6.423 381 HE2 LYS 52 HE2 LYS 52 -21.113 -6.266 4.801 382 HE3 LYS 52 HE1 LYS 52 -21.164 -5.929 6.531 383 HZ1 LYS 52 HZ1 LYS 52 -20.883 -4.120 4.344 384 HZ2 LYS 52 HZ2 LYS 52 -19.635 -3.923 5.480 385 HZ3 LYS 52 HZ3 LYS 52 -21.258 -3.799 5.966 386 H ASP 53 HN ASP 53 -14.423 -4.415 6.376 387 HA ASP 53 HA ASP 53 -12.148 -5.755 5.031 388 HB2 ASP 53 HB2 ASP 53 -10.824 -4.426 6.774 389 HB3 ASP 53 HB1 ASP 53 -11.718 -3.472 5.590 390 H LEU 54 HN LEU 54 -12.157 -7.910 5.645 391 HA LEU 54 HA LEU 54 -12.811 -8.738 8.320 392 HB2 LEU 54 HB2 LEU 54 -12.749 -10.014 5.944 393 HB3 LEU 54 HB1 LEU 54 -11.163 -10.485 6.506 394 HG LEU 54 HG LEU 54 -13.804 -11.538 7.262 395 HD11 LEU 54 HD11 LEU 54 -10.956 -12.443 7.712 396 HD12 LEU 54 HD12 LEU 54 -12.089 -12.992 6.479 397 HD13 LEU 54 HD13 LEU 54 -12.368 -13.395 8.168 398 HD21 LEU 54 HD21 LEU 54 -12.039 -10.556 9.511 399 HD22 LEU 54 HD22 LEU 54 -13.041 -11.986 9.711 400 HD23 LEU 54 HD23 LEU 54 -13.793 -10.440 9.353 401 H SER 55 HN SER 55 -11.436 -8.687 10.080 402 HA SER 55 HA SER 55 -8.484 -8.441 9.556 403 HB2 SER 55 HB2 SER 55 -9.136 -6.435 10.602 404 HB3 SER 55 HB1 SER 55 -10.269 -7.256 11.671 405 HG SER 55 HG SER 55 -8.670 -7.794 12.961 406 H TYR 56 HN TYR 56 -7.265 -10.082 10.296 407 HA TYR 56 HA TYR 56 -8.042 -11.549 12.728 408 HB2 TYR 56 HB2 TYR 56 -9.042 -12.593 10.435 409 HB3 TYR 56 HB1 TYR 56 -7.444 -13.329 10.384 410 HD1 TYR 56 HD1 TYR 56 -6.623 -14.571 12.469 411 HD2 TYR 56 HD2 TYR 56 -10.724 -13.466 11.872 412 HE1 TYR 56 HE1 TYR 56 -7.314 -16.239 14.168 413 HE2 TYR 56 HE2 TYR 56 -11.416 -15.130 13.571 414 HH TYR 56 HH TYR 56 -9.755 -17.591 14.522 415 H LYS 57 HN LYS 57 -6.229 -12.406 13.762 416 HA LYS 57 HA LYS 57 -3.946 -12.500 14.290 417 HB2 LYS 57 HB2 LYS 57 -4.319 -14.384 12.598 418 HB3 LYS 57 HB1 LYS 57 -3.614 -13.308 11.399 419 HG2 LYS 57 HG2 LYS 57 -1.536 -13.180 12.646 420 HG3 LYS 57 HG1 LYS 57 -2.239 -14.066 13.995 421 HD2 LYS 57 HD2 LYS 57 -2.179 -15.318 11.250 422 HD3 LYS 57 HD1 LYS 57 -0.732 -15.340 12.253 423 HE2 LYS 57 HE2 LYS 57 -2.105 -16.378 14.096 424 HE3 LYS 57 HE1 LYS 57 -3.444 -16.503 12.955 425 HZ1 LYS 57 HZ1 LYS 57 -2.170 -18.547 13.043 426 HZ2 LYS 57 HZ2 LYS 57 -0.755 -17.713 12.611 427 HZ3 LYS 57 HZ3 LYS 57 -2.043 -17.834 11.510 428 H ASP 58 HN ASP 58 -4.654 -9.915 13.797 429 HA ASP 58 HA ASP 58 -3.794 -7.823 13.192 430 HB2 ASP 58 HB2 ASP 58 -1.850 -8.785 14.444 431 HB3 ASP 58 HB1 ASP 58 -1.198 -9.357 12.909 432 H ARG 59 HN ARG 59 -4.417 -10.027 10.996 433 HA ARG 59 HA ARG 59 -3.085 -8.602 8.717 434 HB2 ARG 59 HB2 ARG 59 -4.263 -11.386 8.922 435 HB3 ARG 59 HB1 ARG 59 -3.750 -10.652 7.406 436 HG2 ARG 59 HG2 ARG 59 -1.487 -10.508 8.125 437 HG3 ARG 59 HG1 ARG 59 -1.914 -10.863 9.793 438 HD2 ARG 59 HD2 ARG 59 -2.669 -13.118 9.107 439 HD3 ARG 59 HD1 ARG 59 -2.174 -12.763 7.455 440 HE ARG 59 HE ARG 59 0.115 -12.291 8.941 441 HH11 ARG 59 HH21 ARG 59 -2.146 -14.867 8.575 442 HH12 ARG 59 HH22 ARG 59 -0.985 -16.111 8.898 443 HH21 ARG 59 HH11 ARG 59 1.645 -13.900 9.368 444 HH22 ARG 59 HH12 ARG 59 1.161 -15.563 9.348 445 H HIS 60 HN HIS 60 -4.534 -8.457 6.738 446 HA HIS 60 HA HIS 60 -7.392 -7.958 7.541 447 HB2 HIS 60 HB2 HIS 60 -5.605 -6.355 5.697 448 HB3 HIS 60 HB1 HIS 60 -7.343 -6.107 5.853 449 HD2 HIS 60 HD2 HIS 60 -8.158 -4.820 8.238 450 HE1 HIS 60 HE1 HIS 60 -4.287 -4.300 9.840 451 HE2 HIS 60 HE2 HIS 60 -6.739 -3.703 10.123 452 H TRP 61 HN TRP 61 -8.967 -8.419 5.954 453 HA TRP 61 HA TRP 61 -8.178 -9.533 3.355 454 HB2 TRP 61 HB2 TRP 61 -8.928 -11.222 5.707 455 HB3 TRP 61 HB1 TRP 61 -9.658 -11.676 4.172 456 HD1 TRP 61 HD1 TRP 61 -7.595 -11.591 2.082 457 HE1 TRP 61 HE1 TRP 61 -5.376 -12.902 2.195 458 HE3 TRP 61 HE3 TRP 61 -7.241 -12.295 7.130 459 HZ2 TRP 61 HZ2 TRP 61 -3.677 -14.091 4.165 460 HZ3 TRP 61 HZ3 TRP 61 -5.314 -13.515 8.097 461 HH2 TRP 61 HH2 TRP 61 -3.537 -14.421 6.620 462 H HIS 62 HN HIS 62 -9.998 -9.638 1.936 463 HA HIS 62 HA HIS 62 -12.326 -8.073 2.754 464 HB2 HIS 62 HB2 HIS 62 -11.703 -9.725 0.290 465 HB3 HIS 62 HB1 HIS 62 -13.253 -8.940 0.514 466 HD2 HIS 62 HD2 HIS 62 -12.793 -5.976 1.074 467 HE1 HIS 62 HE1 HIS 62 -9.515 -5.951 -1.584 468 HE2 HIS 62 HE2 HIS 62 -11.177 -4.493 -0.339 469 H GLU 63 HN GLU 63 -14.111 -8.992 3.790 470 HA GLU 63 HA GLU 63 -14.219 -11.495 4.925 471 HB2 GLU 63 HB2 GLU 63 -15.924 -9.487 4.979 472 HB3 GLU 63 HB1 GLU 63 -16.760 -10.399 3.725 473 HG2 GLU 63 HG2 GLU 63 -16.730 -12.395 5.257 474 HG3 GLU 63 HG1 GLU 63 -16.075 -11.353 6.521 475 H ALA 64 HN ALA 64 -14.691 -10.783 1.539 476 HA ALA 64 HA ALA 64 -15.782 -13.477 0.971 477 HB1 ALA 64 HB1 ALA 64 -16.593 -11.413 -0.221 478 HB2 ALA 64 HB2 ALA 64 -16.039 -12.697 -1.295 479 HB3 ALA 64 HB3 ALA 64 -15.008 -11.301 -0.985 480 H CYS 65 HN CYS 65 -12.690 -11.851 0.926 481 HA CYS 65 HA CYS 65 -11.462 -13.713 -0.974 482 HB2 CYS 65 HB2 CYS 65 -10.402 -11.555 0.838 483 HB3 CYS 65 HB1 CYS 65 -9.317 -12.626 -0.042 484 H PHE 66 HN PHE 66 -11.816 -13.522 2.501 485 HA PHE 66 HA PHE 66 -9.775 -15.476 3.117 486 HB2 PHE 66 HB2 PHE 66 -11.036 -13.682 4.585 487 HB3 PHE 66 HB1 PHE 66 -12.175 -14.990 4.864 488 HD1 PHE 66 HD2 PHE 66 -10.826 -17.366 5.274 489 HD2 PHE 66 HD1 PHE 66 -9.423 -13.437 6.242 490 HE1 PHE 66 HE2 PHE 66 -9.316 -18.334 6.972 491 HE2 PHE 66 HE1 PHE 66 -7.901 -14.399 7.946 492 HZ PHE 66 HZ PHE 66 -7.847 -16.850 8.309 493 H HIS 67 HN HIS 67 -10.023 -17.451 2.090 494 HA HIS 67 HA HIS 67 -12.361 -19.058 2.862 495 HB2 HIS 67 HB2 HIS 67 -12.715 -19.738 0.426 496 HB3 HIS 67 HB1 HIS 67 -13.247 -18.113 0.852 497 HD2 HIS 67 HD2 HIS 67 -12.669 -17.557 -2.006 498 HE1 HIS 67 HE1 HIS 67 -8.504 -17.360 -1.339 499 HE2 HIS 67 HE2 HIS 67 -10.360 -16.841 -2.993 500 H CYS 68 HN CYS 68 -12.106 -21.369 1.833 501 HA CYS 68 HA CYS 68 -9.383 -22.271 2.470 502 HB2 CYS 68 HB2 CYS 68 -11.125 -23.708 3.272 503 HB3 CYS 68 HB1 CYS 68 -11.944 -23.703 1.721 504 H SER 69 HN SER 69 -7.931 -23.179 0.958 505 HA SER 69 HA SER 69 -8.185 -22.225 -1.760 506 HB2 SER 69 HB2 SER 69 -6.030 -22.629 -0.415 507 HB3 SER 69 HB1 SER 69 -6.234 -24.328 -0.817 508 HG SER 69 HG SER 69 -6.216 -22.220 -2.719 509 H GLN 70 HN GLN 70 -9.040 -25.215 -0.168 510 HA GLN 70 HA GLN 70 -9.336 -26.629 -2.775 511 HB2 GLN 70 HB2 GLN 70 -9.836 -27.714 0.005 512 HB3 GLN 70 HB1 GLN 70 -9.608 -28.637 -1.479 513 HG2 GLN 70 HG2 GLN 70 -7.469 -26.775 -0.453 514 HG3 GLN 70 HG1 GLN 70 -7.582 -28.429 0.123 515 HE21 GLN 70 HE21 GLN 70 -6.029 -26.571 -2.126 516 HE22 GLN 70 HE22 GLN 70 -5.738 -27.743 -3.312 517 H CYS 71 HN CYS 71 -11.297 -25.877 0.110 518 HA CYS 71 HA CYS 71 -13.755 -26.669 -1.348 519 HB2 CYS 71 HB2 CYS 71 -13.702 -25.477 1.422 520 HB3 CYS 71 HB1 CYS 71 -14.851 -26.620 0.726 521 H ARG 72 HN ARG 72 -11.951 -23.862 -1.098 522 HA ARG 72 HA ARG 72 -12.467 -21.595 -1.382 523 HB2 ARG 72 HB2 ARG 72 -14.806 -22.624 -2.989 524 HB3 ARG 72 HB1 ARG 72 -13.865 -21.158 -3.248 525 HG2 ARG 72 HG2 ARG 72 -11.873 -22.533 -3.772 526 HG3 ARG 72 HG1 ARG 72 -12.841 -23.992 -3.560 527 HD2 ARG 72 HD2 ARG 72 -14.130 -23.569 -5.478 528 HD3 ARG 72 HD1 ARG 72 -13.725 -21.852 -5.493 529 HE ARG 72 HE ARG 72 -11.288 -23.109 -5.884 530 HH11 ARG 72 HH21 ARG 72 -14.422 -23.225 -7.314 531 HH12 ARG 72 HH22 ARG 72 -13.831 -23.602 -8.899 532 HH21 ARG 72 HH11 ARG 72 -10.497 -23.596 -7.944 533 HH22 ARG 72 HH12 ARG 72 -11.608 -23.810 -9.255 534 H ASN 73 HN ASN 73 -13.988 -23.265 0.734 535 HA ASN 73 HA ASN 73 -16.544 -21.945 1.058 536 HB2 ASN 73 HB2 ASN 73 -14.710 -23.475 2.901 537 HB3 ASN 73 HB1 ASN 73 -16.190 -22.723 3.498 538 HD21 ASN 73 HD21 ASN 73 -17.906 -23.171 1.335 539 HD22 ASN 73 HD22 ASN 73 -18.147 -24.838 1.138 540 H SER 74 HN SER 74 -16.970 -20.148 2.506 541 HA SER 74 HA SER 74 -14.689 -18.287 2.689 542 HB2 SER 74 HB2 SER 74 -17.601 -17.975 3.477 543 HB3 SER 74 HB1 SER 74 -16.402 -16.686 3.524 544 HG SER 74 HG SER 74 -17.795 -17.686 1.429 545 H LEU 75 HN LEU 75 -13.316 -18.990 4.372 546 HA LEU 75 HA LEU 75 -14.472 -19.784 6.953 547 HB2 LEU 75 HB2 LEU 75 -11.566 -19.163 6.502 548 HB3 LEU 75 HB1 LEU 75 -12.279 -20.287 7.641 549 HG LEU 75 HG LEU 75 -12.614 -20.734 4.666 550 HD11 LEU 75 HD11 LEU 75 -10.326 -21.880 6.252 551 HD12 LEU 75 HD12 LEU 75 -10.148 -20.411 5.295 552 HD13 LEU 75 HD13 LEU 75 -10.585 -21.916 4.515 553 HD21 LEU 75 HD21 LEU 75 -12.832 -23.048 5.385 554 HD22 LEU 75 HD22 LEU 75 -13.925 -22.038 6.332 555 HD23 LEU 75 HD23 LEU 75 -12.409 -22.601 7.037 556 H VAL 76 HN VAL 76 -15.191 -18.207 8.287 557 HA VAL 76 HA VAL 76 -13.470 -15.831 8.743 558 HB VAL 76 HB VAL 76 -16.437 -15.755 8.090 559 HG11 VAL 76 HG11 VAL 76 -16.136 -14.286 9.957 560 HG12 VAL 76 HG12 VAL 76 -16.115 -13.263 8.520 561 HG13 VAL 76 HG13 VAL 76 -14.603 -13.689 9.322 562 HG21 VAL 76 HG21 VAL 76 -15.594 -14.071 6.406 563 HG22 VAL 76 HG22 VAL 76 -15.021 -15.713 6.122 564 HG23 VAL 76 HG23 VAL 76 -13.952 -14.522 6.861 565 H ASP 77 HN ASP 77 -13.281 -15.510 10.946 566 HA ASP 77 HA ASP 77 -13.500 -16.072 13.212 567 HB2 ASP 77 HB2 ASP 77 -15.587 -15.556 14.158 568 HB3 ASP 77 HB1 ASP 77 -15.617 -14.652 12.648 569 H LYS 78 HN LYS 78 -13.724 -18.196 10.939 570 HA LYS 78 HA LYS 78 -14.787 -20.450 12.597 571 HB2 LYS 78 HB2 LYS 78 -14.626 -19.893 9.645 572 HB3 LYS 78 HB1 LYS 78 -14.572 -21.571 10.170 573 HG2 LYS 78 HG2 LYS 78 -16.728 -21.466 11.137 574 HG3 LYS 78 HG1 LYS 78 -16.715 -19.703 11.189 575 HD2 LYS 78 HD2 LYS 78 -18.178 -20.540 9.376 576 HD3 LYS 78 HD1 LYS 78 -16.821 -19.615 8.733 577 HE2 LYS 78 HE2 LYS 78 -15.650 -21.600 8.092 578 HE3 LYS 78 HE1 LYS 78 -16.752 -22.627 9.009 579 HZ1 LYS 78 HZ1 LYS 78 -18.543 -21.952 7.522 580 HZ2 LYS 78 HZ2 LYS 78 -17.274 -22.685 6.662 581 HZ3 LYS 78 HZ3 LYS 78 -17.462 -20.997 6.629 582 HA PRO 79 HA PRO 79 -10.619 -21.880 13.009 583 HB2 PRO 79 HB2 PRO 79 -11.024 -24.655 12.466 584 HB3 PRO 79 HB1 PRO 79 -11.040 -23.875 14.052 585 HG2 PRO 79 HG2 PRO 79 -13.316 -24.864 12.470 586 HG3 PRO 79 HG1 PRO 79 -13.276 -24.390 14.174 587 HD2 PRO 79 HD2 PRO 79 -14.455 -22.906 12.059 588 HD3 PRO 79 HD1 PRO 79 -14.127 -22.319 13.701 589 H PHE 80 HN PHE 80 -8.891 -21.931 11.590 590 HA PHE 80 HA PHE 80 -9.123 -23.299 8.986 591 HB2 PHE 80 HB2 PHE 80 -8.373 -21.297 7.708 592 HB3 PHE 80 HB1 PHE 80 -9.981 -21.079 8.408 593 HD1 PHE 80 HD1 PHE 80 -6.346 -20.327 8.955 594 HD2 PHE 80 HD2 PHE 80 -10.401 -19.303 9.901 595 HE1 PHE 80 HE1 PHE 80 -5.563 -18.325 10.190 596 HE2 PHE 80 HE2 PHE 80 -9.619 -17.304 11.133 597 HZ PHE 80 HZ PHE 80 -7.193 -16.815 11.275 598 H ALA 81 HN ALA 81 -7.057 -23.686 8.031 599 HA ALA 81 HA ALA 81 -4.803 -23.436 9.960 600 HB1 ALA 81 HB1 ALA 81 -4.726 -24.880 7.304 601 HB2 ALA 81 HB2 ALA 81 -5.426 -25.634 8.737 602 HB3 ALA 81 HB3 ALA 81 -3.729 -25.156 8.733 603 H ALA 82 HN ALA 82 -3.615 -21.619 9.716 604 HA ALA 82 HA ALA 82 -3.680 -20.092 7.229 605 HB1 ALA 82 HB1 ALA 82 -3.553 -18.715 9.123 606 HB2 ALA 82 HB2 ALA 82 -1.888 -18.716 8.554 607 HB3 ALA 82 HB3 ALA 82 -2.358 -19.740 9.912 608 H LYS 83 HN LYS 83 -2.575 -20.999 5.559 609 HA LYS 83 HA LYS 83 0.073 -22.245 6.031 610 HB2 LYS 83 HB2 LYS 83 -1.387 -23.459 4.534 611 HB3 LYS 83 HB1 LYS 83 -1.674 -22.020 3.567 612 HG2 LYS 83 HG2 LYS 83 0.466 -22.046 2.622 613 HG3 LYS 83 HG1 LYS 83 1.142 -23.010 3.937 614 HD2 LYS 83 HD2 LYS 83 -0.040 -24.984 3.179 615 HD3 LYS 83 HD1 LYS 83 -0.911 -24.047 1.964 616 HE2 LYS 83 HE2 LYS 83 1.153 -25.393 1.175 617 HE3 LYS 83 HE1 LYS 83 1.032 -23.711 0.659 618 HZ1 LYS 83 HZ1 LYS 83 3.243 -24.398 1.566 619 HZ2 LYS 83 HZ2 LYS 83 2.505 -24.558 3.088 620 HZ3 LYS 83 HZ3 LYS 83 2.553 -23.044 2.318 621 H GLU 84 HN GLU 84 1.893 -21.516 4.643 622 HA GLU 84 HA GLU 84 2.731 -18.968 5.012 623 HB2 GLU 84 HB2 GLU 84 3.181 -20.767 2.632 624 HB3 GLU 84 HB1 GLU 84 3.998 -19.212 2.775 625 HG2 GLU 84 HG2 GLU 84 5.366 -21.083 3.686 626 HG3 GLU 84 HG1 GLU 84 4.972 -19.881 4.915 627 H ASP 85 HN ASP 85 1.071 -19.842 1.924 628 HA ASP 85 HA ASP 85 0.217 -16.964 1.733 629 HB2 ASP 85 HB2 ASP 85 1.337 -18.879 -0.301 630 HB3 ASP 85 HB1 ASP 85 0.255 -17.595 -0.826 631 H GLN 86 HN GLN 86 -0.961 -20.014 2.288 632 HA GLN 86 HA GLN 86 -3.563 -19.368 0.918 633 HB2 GLN 86 HB2 GLN 86 -2.518 -22.157 1.413 634 HB3 GLN 86 HB1 GLN 86 -3.882 -21.671 0.412 635 HG2 GLN 86 HG2 GLN 86 -1.025 -20.829 -0.147 636 HG3 GLN 86 HG1 GLN 86 -1.788 -22.239 -0.860 637 HE21 GLN 86 HE21 GLN 86 -1.431 -18.828 -1.158 638 HE22 GLN 86 HE22 GLN 86 -2.586 -18.591 -2.379 639 H LEU 87 HN LEU 87 -5.391 -20.624 1.867 640 HA LEU 87 HA LEU 87 -5.149 -21.049 4.805 641 HB2 LEU 87 HB2 LEU 87 -7.189 -19.401 3.287 642 HB3 LEU 87 HB1 LEU 87 -7.609 -20.149 4.826 643 HG LEU 87 HG LEU 87 -5.066 -18.547 4.644 644 HD11 LEU 87 HD11 LEU 87 -7.871 -17.455 4.685 645 HD12 LEU 87 HD12 LEU 87 -6.476 -16.895 3.767 646 HD13 LEU 87 HD13 LEU 87 -6.570 -16.587 5.501 647 HD21 LEU 87 HD21 LEU 87 -5.275 -18.386 6.959 648 HD22 LEU 87 HD22 LEU 87 -5.956 -19.981 6.659 649 HD23 LEU 87 HD23 LEU 87 -7.020 -18.607 6.925 650 H LEU 88 HN LEU 88 -6.108 -22.946 5.429 651 HA LEU 88 HA LEU 88 -7.864 -24.367 3.448 652 HB2 LEU 88 HB2 LEU 88 -5.449 -25.403 4.955 653 HB3 LEU 88 HB1 LEU 88 -6.623 -26.465 4.187 654 HG LEU 88 HG LEU 88 -5.420 -24.245 2.544 655 HD11 LEU 88 HD11 LEU 88 -4.024 -26.829 3.265 656 HD12 LEU 88 HD12 LEU 88 -3.431 -25.186 3.508 657 HD13 LEU 88 HD13 LEU 88 -3.586 -25.834 1.876 658 HD21 LEU 88 HD21 LEU 88 -7.188 -25.616 1.568 659 HD22 LEU 88 HD22 LEU 88 -6.294 -27.087 1.957 660 HD23 LEU 88 HD23 LEU 88 -5.656 -25.958 0.763 661 H CYS 89 HN CYS 89 -9.056 -26.208 4.544 662 HA CYS 89 HA CYS 89 -10.097 -25.266 7.135 663 HB2 CYS 89 HB2 CYS 89 -10.886 -27.813 5.698 664 HB3 CYS 89 HB1 CYS 89 -11.833 -26.873 6.847 665 H THR 90 HN THR 90 -9.672 -26.310 9.095 666 HA THR 90 HA THR 90 -7.309 -27.741 9.484 667 HB THR 90 HB THR 90 -8.309 -27.051 11.484 668 HG1 THR 90 HG1 THR 90 -9.368 -29.628 11.586 669 HG21 THR 90 HG21 THR 90 -10.506 -26.529 10.706 670 HG22 THR 90 HG22 THR 90 -10.717 -27.682 12.023 671 HG23 THR 90 HG23 THR 90 -10.854 -28.221 10.350 672 H ASP 91 HN ASP 91 -10.155 -28.803 7.956 673 HA ASP 91 HA ASP 91 -9.666 -31.676 8.386 674 HB2 ASP 91 HB2 ASP 91 -11.549 -30.246 6.496 675 HB3 ASP 91 HB1 ASP 91 -11.542 -31.979 6.808 676 H CYS 92 HN CYS 92 -9.438 -29.324 5.714 677 HA CYS 92 HA CYS 92 -8.187 -31.242 3.917 678 HB2 CYS 92 HB2 CYS 92 -7.963 -28.252 3.585 679 HB3 CYS 92 HB1 CYS 92 -8.129 -29.494 2.346 680 H TYR 93 HN TYR 93 -7.075 -28.633 6.045 681 HA TYR 93 HA TYR 93 -4.339 -28.626 5.289 682 HB2 TYR 93 HB2 TYR 93 -5.526 -27.014 6.850 683 HB3 TYR 93 HB1 TYR 93 -5.388 -28.245 8.099 684 HD1 TYR 93 HD2 TYR 93 -3.304 -26.371 5.600 685 HD2 TYR 93 HD1 TYR 93 -3.441 -28.386 9.391 686 HE1 TYR 93 HE2 TYR 93 -0.966 -25.681 6.054 687 HE2 TYR 93 HE1 TYR 93 -1.105 -27.704 9.842 688 HH TYR 93 HH TYR 93 0.447 -25.874 9.107 689 H SER 94 HN SER 94 -5.998 -30.465 7.831 690 HA SER 94 HA SER 94 -3.683 -31.917 8.691 691 HB2 SER 94 HB2 SER 94 -6.560 -32.863 8.813 692 HB3 SER 94 HB1 SER 94 -5.230 -33.367 9.852 693 HG SER 94 HG SER 94 -5.099 -31.117 10.493 694 H ASN 95 HN ASN 95 -5.664 -32.178 5.894 695 HA ASN 95 HA ASN 95 -5.191 -34.996 5.374 696 HB2 ASN 95 HB2 ASN 95 -7.064 -33.522 4.406 697 HB3 ASN 95 HB1 ASN 95 -5.844 -32.900 3.295 698 HD21 ASN 95 HD21 ASN 95 -8.180 -35.301 3.599 699 HD22 ASN 95 HD22 ASN 95 -7.571 -36.406 2.464 700 H GLU 96 HN GLU 96 -3.588 -31.965 4.495 701 HA GLU 96 HA GLU 96 -1.513 -33.518 2.985 702 HB2 GLU 96 HB2 GLU 96 -0.807 -31.102 2.319 703 HB3 GLU 96 HB1 GLU 96 -2.272 -31.771 1.603 704 HG2 GLU 96 HG2 GLU 96 -3.678 -30.566 3.122 705 HG3 GLU 96 HG1 GLU 96 -2.303 -30.098 4.123 706 H TYR 97 HN TYR 97 -1.942 -31.153 5.600 707 HA TYR 97 HA TYR 97 0.755 -30.669 6.241 708 HB2 TYR 97 HB2 TYR 97 -1.053 -29.468 7.348 709 HB3 TYR 97 HB1 TYR 97 -1.633 -30.958 8.088 710 HD1 TYR 97 HD2 TYR 97 1.306 -28.661 7.923 711 HD2 TYR 97 HD1 TYR 97 -0.724 -31.734 10.135 712 HE1 TYR 97 HE2 TYR 97 2.861 -28.321 9.825 713 HE2 TYR 97 HE1 TYR 97 0.831 -31.393 12.036 714 HH TYR 97 HH TYR 97 3.214 -30.492 12.320 715 H SER 98 HN SER 98 -1.262 -33.472 6.922 716 HA SER 98 HA SER 98 0.195 -34.790 8.902 717 HB2 SER 98 HB2 SER 98 -1.126 -35.934 6.429 718 HB3 SER 98 HB1 SER 98 -0.514 -36.924 7.750 719 HG SER 98 HG SER 98 -2.435 -34.839 7.968 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -12.681 28.338 2.559 2 H2 MET 1 HT2 MET 1 -11.557 28.155 1.298 3 H3 MET 1 HT3 MET 1 -13.090 27.432 1.186 4 HA MET 1 HA MET 1 -13.867 29.218 0.169 5 HB2 MET 1 HB2 MET 1 -14.463 29.893 2.482 6 HB3 MET 1 HB1 MET 1 -12.912 30.719 2.627 7 HG2 MET 1 HG2 MET 1 -13.484 32.309 0.949 8 HG3 MET 1 HG1 MET 1 -14.866 31.354 0.412 9 HE1 MET 1 HE1 MET 1 -16.695 34.350 1.684 10 HE2 MET 1 HE2 MET 1 -15.785 33.622 0.363 11 HE3 MET 1 HE3 MET 1 -14.970 34.694 1.499 12 H THR 2 HN THR 2 -11.358 31.114 1.804 13 HA THR 2 HA THR 2 -10.427 32.188 -0.718 14 HB THR 2 HB THR 2 -10.352 33.438 1.451 15 HG1 THR 2 HG1 THR 2 -9.002 34.337 0.071 16 HG21 THR 2 HG21 THR 2 -7.960 31.711 2.093 17 HG22 THR 2 HG22 THR 2 -9.570 31.359 2.724 18 HG23 THR 2 HG23 THR 2 -8.773 32.877 3.137 19 H GLU 3 HN GLU 3 -9.155 29.817 1.595 20 HA GLU 3 HA GLU 3 -6.641 29.347 0.373 21 HB2 GLU 3 HB2 GLU 3 -6.627 27.263 1.577 22 HB3 GLU 3 HB1 GLU 3 -7.458 28.436 2.596 23 HG2 GLU 3 HG2 GLU 3 -9.633 27.571 1.508 24 HG3 GLU 3 HG1 GLU 3 -8.662 26.215 0.937 25 H ARG 4 HN ARG 4 -6.338 26.890 -0.510 26 HA ARG 4 HA ARG 4 -7.851 26.869 -3.057 27 HB2 ARG 4 HB2 ARG 4 -5.410 25.334 -2.128 28 HB3 ARG 4 HB1 ARG 4 -6.077 25.295 -3.755 29 HG2 ARG 4 HG2 ARG 4 -5.301 27.911 -2.442 30 HG3 ARG 4 HG1 ARG 4 -4.108 26.931 -3.288 31 HD2 ARG 4 HD2 ARG 4 -5.751 26.958 -5.284 32 HD3 ARG 4 HD1 ARG 4 -6.575 28.256 -4.422 33 HE ARG 4 HE ARG 4 -3.930 29.069 -4.459 34 HH11 ARG 4 HH21 ARG 4 -6.257 28.011 -6.772 35 HH12 ARG 4 HH22 ARG 4 -5.608 28.969 -8.061 36 HH21 ARG 4 HH11 ARG 4 -3.070 30.328 -6.127 37 HH22 ARG 4 HH12 ARG 4 -3.804 30.282 -7.695 38 H PHE 5 HN PHE 5 -9.093 25.097 -3.695 39 HA PHE 5 HA PHE 5 -9.632 23.048 -1.569 40 HB2 PHE 5 HB2 PHE 5 -11.440 24.756 -2.474 41 HB3 PHE 5 HB1 PHE 5 -11.539 23.634 -3.826 42 HD1 PHE 5 HD1 PHE 5 -11.754 23.894 -0.123 43 HD2 PHE 5 HD2 PHE 5 -12.694 21.565 -3.598 44 HE1 PHE 5 HE1 PHE 5 -13.154 22.401 1.262 45 HE2 PHE 5 HE2 PHE 5 -14.106 20.066 -2.210 46 HZ PHE 5 HZ PHE 5 -14.324 20.469 0.217 47 H ASP 6 HN ASP 6 -7.570 22.189 -2.746 48 HA ASP 6 HA ASP 6 -8.511 20.200 -4.760 49 HB2 ASP 6 HB2 ASP 6 -5.783 21.453 -5.029 50 HB3 ASP 6 HB1 ASP 6 -6.716 20.556 -6.229 51 H CYS 7 HN CYS 7 -7.304 18.222 -4.690 52 HA CYS 7 HA CYS 7 -6.441 17.477 -2.081 53 HB2 CYS 7 HB2 CYS 7 -7.228 15.781 -3.522 54 HB3 CYS 7 HB1 CYS 7 -6.115 16.228 -4.794 55 H HIS 8 HN HIS 8 -4.699 18.623 -1.264 56 HA HIS 8 HA HIS 8 -2.585 19.791 -2.634 57 HB2 HIS 8 HB2 HIS 8 -3.136 19.889 -0.150 58 HB3 HIS 8 HB1 HIS 8 -2.225 18.407 0.025 59 HD2 HIS 8 HD2 HIS 8 -1.505 22.116 -1.219 60 HE1 HIS 8 HE1 HIS 8 2.134 20.328 -0.043 61 HE2 HIS 8 HE2 HIS 8 1.056 22.478 -0.857 62 H HIS 9 HN HIS 9 -3.124 16.396 -2.101 63 HA HIS 9 HA HIS 9 -0.305 15.731 -2.660 64 HB2 HIS 9 HB2 HIS 9 -1.452 14.353 -1.065 65 HB3 HIS 9 HB1 HIS 9 -2.754 14.024 -2.179 66 HD2 HIS 9 HD2 HIS 9 -1.396 11.301 -1.361 67 HE1 HIS 9 HE1 HIS 9 1.124 11.643 -4.730 68 HE2 HIS 9 HE2 HIS 9 0.236 10.048 -2.966 69 H CYS 10 HN CYS 10 -3.381 14.747 -4.299 70 HA CYS 10 HA CYS 10 -1.881 14.240 -6.779 71 HB2 CYS 10 HB2 CYS 10 -4.883 14.249 -6.432 72 HB3 CYS 10 HB1 CYS 10 -3.949 13.421 -7.674 73 H ASN 11 HN ASN 11 -3.198 16.906 -5.308 74 HA ASN 11 HA ASN 11 -3.778 19.048 -5.994 75 HB2 ASN 11 HB2 ASN 11 -2.395 20.028 -7.618 76 HB3 ASN 11 HB1 ASN 11 -1.424 18.688 -7.021 77 HD21 ASN 11 HD21 ASN 11 -3.537 19.674 -9.742 78 HD22 ASN 11 HD22 ASN 11 -2.890 18.564 -10.852 79 H GLU 12 HN GLU 12 -5.506 16.748 -6.814 80 HA GLU 12 HA GLU 12 -6.768 17.894 -9.277 81 HB2 GLU 12 HB2 GLU 12 -7.928 15.802 -9.511 82 HB3 GLU 12 HB1 GLU 12 -6.246 15.407 -9.162 83 HG2 GLU 12 HG2 GLU 12 -6.930 15.254 -6.711 84 HG3 GLU 12 HG1 GLU 12 -8.597 15.322 -7.257 85 H SER 13 HN SER 13 -8.730 18.926 -9.096 86 HA SER 13 HA SER 13 -9.704 19.974 -6.714 87 HB2 SER 13 HB2 SER 13 -11.394 19.145 -9.087 88 HB3 SER 13 HB1 SER 13 -11.837 20.334 -7.866 89 HG SER 13 HG SER 13 -10.558 21.743 -8.785 90 H LEU 14 HN LEU 14 -10.918 19.176 -4.992 91 HA LEU 14 HA LEU 14 -11.225 16.370 -4.613 92 HB2 LEU 14 HB2 LEU 14 -12.683 18.702 -3.364 93 HB3 LEU 14 HB1 LEU 14 -12.931 17.052 -2.854 94 HG LEU 14 HG LEU 14 -11.333 18.191 -1.414 95 HD11 LEU 14 HD11 LEU 14 -9.619 16.302 -2.970 96 HD12 LEU 14 HD12 LEU 14 -11.118 15.686 -2.271 97 HD13 LEU 14 HD13 LEU 14 -9.892 16.410 -1.233 98 HD21 LEU 14 HD21 LEU 14 -9.337 19.149 -2.176 99 HD22 LEU 14 HD22 LEU 14 -10.536 19.687 -3.348 100 HD23 LEU 14 HD23 LEU 14 -9.450 18.350 -3.741 101 H PHE 15 HN PHE 15 -12.762 14.996 -5.311 102 HA PHE 15 HA PHE 15 -14.571 15.935 -7.374 103 HB2 PHE 15 HB2 PHE 15 -15.066 13.516 -7.625 104 HB3 PHE 15 HB1 PHE 15 -13.345 13.873 -7.663 105 HD1 PHE 15 HD2 PHE 15 -11.969 13.565 -5.474 106 HD2 PHE 15 HD1 PHE 15 -15.966 12.061 -6.011 107 HE1 PHE 15 HE2 PHE 15 -11.657 12.034 -3.558 108 HE2 PHE 15 HE1 PHE 15 -15.637 10.516 -4.101 109 HZ PHE 15 HZ PHE 15 -13.486 10.506 -2.875 110 H GLY 16 HN GLY 16 -16.329 17.052 -6.523 111 HA2 GLY 16 HA2 GLY 16 -18.411 17.322 -5.461 112 HA3 GLY 16 HA1 GLY 16 -18.645 15.701 -6.089 113 H LYS 17 HN LYS 17 -16.195 15.720 -3.640 114 HA LYS 17 HA LYS 17 -18.300 14.970 -1.609 115 HB2 LYS 17 HB2 LYS 17 -17.468 12.942 -2.687 116 HB3 LYS 17 HB1 LYS 17 -15.809 13.405 -2.305 117 HG2 LYS 17 HG2 LYS 17 -16.108 13.086 0.008 118 HG3 LYS 17 HG1 LYS 17 -17.865 13.177 -0.106 119 HD2 LYS 17 HD2 LYS 17 -17.985 11.019 -1.166 120 HD3 LYS 17 HD1 LYS 17 -16.233 10.956 -1.366 121 HE2 LYS 17 HE2 LYS 17 -16.010 11.025 1.135 122 HE3 LYS 17 HE1 LYS 17 -17.765 10.895 1.248 123 HZ1 LYS 17 HZ1 LYS 17 -17.530 8.841 -0.162 124 HZ2 LYS 17 HZ2 LYS 17 -16.935 8.720 1.425 125 HZ3 LYS 17 HZ3 LYS 17 -15.861 8.925 0.125 126 H LYS 18 HN LYS 18 -17.628 14.872 0.568 127 HA LYS 18 HA LYS 18 -16.230 17.096 1.542 128 HB2 LYS 18 HB2 LYS 18 -16.802 14.388 2.758 129 HB3 LYS 18 HB1 LYS 18 -15.956 15.644 3.658 130 HG2 LYS 18 HG2 LYS 18 -18.281 15.848 4.209 131 HG3 LYS 18 HG1 LYS 18 -17.899 17.192 3.143 132 HD2 LYS 18 HD2 LYS 18 -18.949 16.148 1.277 133 HD3 LYS 18 HD1 LYS 18 -19.020 14.586 2.092 134 HE2 LYS 18 HE2 LYS 18 -20.551 17.082 2.882 135 HE3 LYS 18 HE1 LYS 18 -21.230 15.646 2.116 136 HZ1 LYS 18 HZ1 LYS 18 -20.359 16.050 4.867 137 HZ2 LYS 18 HZ2 LYS 18 -20.043 14.526 4.187 138 HZ3 LYS 18 HZ3 LYS 18 -21.636 15.113 4.260 139 H TYR 19 HN TYR 19 -14.099 16.879 2.893 140 HA TYR 19 HA TYR 19 -12.190 14.974 1.627 141 HB2 TYR 19 HB2 TYR 19 -10.693 16.775 0.984 142 HB3 TYR 19 HB1 TYR 19 -12.282 17.047 0.268 143 HD1 TYR 19 HD1 TYR 19 -13.950 18.533 1.597 144 HD2 TYR 19 HD2 TYR 19 -9.719 18.453 2.310 145 HE1 TYR 19 HE1 TYR 19 -14.106 20.720 2.746 146 HE2 TYR 19 HE2 TYR 19 -9.873 20.652 3.455 147 HH TYR 19 HH TYR 19 -11.727 21.945 4.699 148 H ILE 20 HN ILE 20 -10.119 14.924 2.695 149 HA ILE 20 HA ILE 20 -10.332 15.556 5.615 150 HB ILE 20 HB ILE 20 -8.670 13.529 4.092 151 HG12 ILE 20 HG12 ILE 20 -10.836 12.898 6.097 152 HG13 ILE 20 HG11 ILE 20 -11.270 13.256 4.430 153 HG21 ILE 20 HG21 ILE 20 -8.827 14.262 7.020 154 HG22 ILE 20 HG22 ILE 20 -7.396 14.132 5.997 155 HG23 ILE 20 HG23 ILE 20 -8.262 12.677 6.489 156 HD11 ILE 20 HD11 ILE 20 -9.742 11.476 3.648 157 HD12 ILE 20 HD12 ILE 20 -10.983 10.837 4.725 158 HD13 ILE 20 HD13 ILE 20 -9.343 11.091 5.322 159 H LEU 21 HN LEU 21 -8.752 16.859 6.545 160 HA LEU 21 HA LEU 21 -6.742 18.051 4.721 161 HB2 LEU 21 HB2 LEU 21 -7.406 18.641 7.622 162 HB3 LEU 21 HB1 LEU 21 -6.083 19.406 6.728 163 HG LEU 21 HG LEU 21 -8.199 20.766 6.803 164 HD11 LEU 21 HD11 LEU 21 -6.398 20.713 4.881 165 HD12 LEU 21 HD12 LEU 21 -7.910 21.581 4.642 166 HD13 LEU 21 HD13 LEU 21 -7.699 19.982 3.944 167 HD21 LEU 21 HD21 LEU 21 -9.640 18.618 6.558 168 HD22 LEU 21 HD22 LEU 21 -9.330 18.783 4.828 169 HD23 LEU 21 HD23 LEU 21 -10.163 20.067 5.703 170 H ARG 22 HN ARG 22 -5.098 16.735 4.416 171 HA ARG 22 HA ARG 22 -3.952 15.239 6.718 172 HB2 ARG 22 HB2 ARG 22 -4.719 13.867 4.780 173 HB3 ARG 22 HB1 ARG 22 -3.675 14.811 3.743 174 HG2 ARG 22 HG2 ARG 22 -2.645 12.708 4.262 175 HG3 ARG 22 HG1 ARG 22 -1.730 14.031 4.955 176 HD2 ARG 22 HD2 ARG 22 -3.427 13.336 7.037 177 HD3 ARG 22 HD1 ARG 22 -3.240 11.801 6.250 178 HE ARG 22 HE ARG 22 -1.379 12.875 8.020 179 HH11 ARG 22 HH21 ARG 22 -1.317 11.894 4.695 180 HH12 ARG 22 HH22 ARG 22 0.381 11.596 4.696 181 HH21 ARG 22 HH11 ARG 22 0.816 12.470 8.010 182 HH22 ARG 22 HH12 ARG 22 1.583 11.912 6.560 183 H GLU 23 HN GLU 23 -1.788 15.561 7.260 184 HA GLU 23 HA GLU 23 0.169 16.855 7.448 185 HB2 GLU 23 HB2 GLU 23 -0.172 16.759 4.431 186 HB3 GLU 23 HB1 GLU 23 1.235 17.468 5.218 187 HG2 GLU 23 HG2 GLU 23 0.337 14.664 5.867 188 HG3 GLU 23 HG1 GLU 23 1.381 14.984 4.486 189 H GLU 24 HN GLU 24 -2.411 18.106 7.661 190 HA GLU 24 HA GLU 24 -3.371 20.243 7.729 191 HB2 GLU 24 HB2 GLU 24 -0.611 21.321 7.097 192 HB3 GLU 24 HB1 GLU 24 -1.891 22.087 8.038 193 HG2 GLU 24 HG2 GLU 24 -1.668 20.255 9.733 194 HG3 GLU 24 HG1 GLU 24 -0.286 19.640 8.827 195 H SER 25 HN SER 25 -3.211 18.719 5.263 196 HA SER 25 HA SER 25 -3.664 20.951 3.407 197 HB2 SER 25 HB2 SER 25 -2.031 18.659 2.367 198 HB3 SER 25 HB1 SER 25 -2.067 20.332 1.827 199 HG SER 25 HG SER 25 -0.338 20.487 3.011 200 HA PRO 26 HA PRO 26 -7.139 18.332 2.425 201 HB2 PRO 26 HB2 PRO 26 -7.451 19.229 -0.275 202 HB3 PRO 26 HB1 PRO 26 -8.291 19.851 1.147 203 HG2 PRO 26 HG2 PRO 26 -6.093 21.080 -0.371 204 HG3 PRO 26 HG1 PRO 26 -7.160 21.818 0.826 205 HD2 PRO 26 HD2 PRO 26 -4.439 21.144 1.222 206 HD3 PRO 26 HD1 PRO 26 -5.608 21.578 2.489 207 H TYR 27 HN TYR 27 -7.060 16.205 1.857 208 HA TYR 27 HA TYR 27 -5.395 15.369 -0.504 209 HB2 TYR 27 HB2 TYR 27 -5.800 14.160 2.231 210 HB3 TYR 27 HB1 TYR 27 -5.605 13.065 0.876 211 HD1 TYR 27 HD2 TYR 27 -3.720 16.203 0.671 212 HD2 TYR 27 HD1 TYR 27 -3.667 12.213 2.100 213 HE1 TYR 27 HE2 TYR 27 -1.314 16.396 0.897 214 HE2 TYR 27 HE1 TYR 27 -1.224 12.373 2.374 215 HH TYR 27 HH TYR 27 0.678 14.301 0.939 216 H CYS 28 HN CYS 28 -6.502 13.918 -1.921 217 HA CYS 28 HA CYS 28 -9.395 14.078 -1.811 218 HB2 CYS 28 HB2 CYS 28 -9.378 12.521 -3.717 219 HB3 CYS 28 HB1 CYS 28 -8.214 13.807 -3.970 220 H VAL 29 HN VAL 29 -10.854 12.360 -1.257 221 HA VAL 29 HA VAL 29 -10.383 10.908 1.038 222 HB VAL 29 HB VAL 29 -11.998 9.756 -1.242 223 HG11 VAL 29 HG11 VAL 29 -13.383 8.912 0.534 224 HG12 VAL 29 HG12 VAL 29 -12.503 9.858 1.736 225 HG13 VAL 29 HG13 VAL 29 -11.711 8.508 0.922 226 HG21 VAL 29 HG21 VAL 29 -12.555 12.139 0.535 227 HG22 VAL 29 HG22 VAL 29 -13.847 11.231 -0.250 228 HG23 VAL 29 HG23 VAL 29 -12.630 12.053 -1.225 229 H VAL 30 HN VAL 30 -10.043 9.643 -2.260 230 HA VAL 30 HA VAL 30 -9.116 7.086 -1.781 231 HB VAL 30 HB VAL 30 -7.834 8.878 -3.846 232 HG11 VAL 30 HG11 VAL 30 -7.769 6.837 -5.148 233 HG12 VAL 30 HG12 VAL 30 -8.716 5.982 -3.930 234 HG13 VAL 30 HG13 VAL 30 -7.072 6.505 -3.563 235 HG21 VAL 30 HG21 VAL 30 -9.848 8.156 -5.258 236 HG22 VAL 30 HG22 VAL 30 -10.157 9.388 -4.035 237 HG23 VAL 30 HG23 VAL 30 -10.624 7.713 -3.738 238 H CYS 31 HN CYS 31 -6.993 9.988 -2.051 239 HA CYS 31 HA CYS 31 -4.533 8.806 -1.546 240 HB2 CYS 31 HB2 CYS 31 -5.691 11.475 -0.883 241 HB3 CYS 31 HB1 CYS 31 -4.201 11.034 -0.056 242 H PHE 32 HN PHE 32 -6.488 10.276 1.054 243 HA PHE 32 HA PHE 32 -5.126 9.271 3.254 244 HB2 PHE 32 HB2 PHE 32 -7.143 10.789 3.284 245 HB3 PHE 32 HB1 PHE 32 -8.148 9.357 3.067 246 HD1 PHE 32 HD1 PHE 32 -7.996 7.480 4.766 247 HD2 PHE 32 HD2 PHE 32 -6.278 11.362 5.420 248 HE1 PHE 32 HE1 PHE 32 -7.887 7.023 7.204 249 HE2 PHE 32 HE2 PHE 32 -6.167 10.908 7.853 250 HZ PHE 32 HZ PHE 32 -6.973 8.737 8.748 251 H GLU 33 HN GLU 33 -7.668 7.542 1.420 252 HA GLU 33 HA GLU 33 -7.578 5.194 3.067 253 HB2 GLU 33 HB2 GLU 33 -8.498 5.601 0.220 254 HB3 GLU 33 HB1 GLU 33 -8.794 4.146 1.170 255 HG2 GLU 33 HG2 GLU 33 -9.575 6.871 2.206 256 HG3 GLU 33 HG1 GLU 33 -10.637 5.955 1.149 257 H THR 34 HN THR 34 -6.444 5.532 -0.317 258 HA THR 34 HA THR 34 -5.011 3.130 -0.433 259 HB THR 34 HB THR 34 -5.511 4.958 -2.250 260 HG1 THR 34 HG1 THR 34 -4.612 2.954 -2.702 261 HG21 THR 34 HG21 THR 34 -3.702 6.395 -2.829 262 HG22 THR 34 HG22 THR 34 -2.625 5.630 -1.660 263 HG23 THR 34 HG23 THR 34 -3.968 6.624 -1.104 264 H LEU 35 HN LEU 35 -3.790 6.299 0.656 265 HA LEU 35 HA LEU 35 -1.095 5.598 1.029 266 HB2 LEU 35 HB2 LEU 35 -2.846 7.431 2.671 267 HB3 LEU 35 HB1 LEU 35 -1.099 7.338 2.845 268 HG LEU 35 HG LEU 35 -2.406 7.920 0.177 269 HD11 LEU 35 HD11 LEU 35 -1.472 9.894 2.275 270 HD12 LEU 35 HD12 LEU 35 -3.150 9.597 1.822 271 HD13 LEU 35 HD13 LEU 35 -2.033 10.302 0.654 272 HD21 LEU 35 HD21 LEU 35 -0.123 9.099 -0.101 273 HD22 LEU 35 HD22 LEU 35 -0.113 7.339 -0.114 274 HD23 LEU 35 HD23 LEU 35 0.380 8.212 1.335 275 H PHE 36 HN PHE 36 -3.604 5.530 3.592 276 HA PHE 36 HA PHE 36 -1.816 3.770 5.197 277 HB2 PHE 36 HB2 PHE 36 -4.447 4.843 6.178 278 HB3 PHE 36 HB1 PHE 36 -2.962 4.533 7.071 279 HD1 PHE 36 HD2 PHE 36 -0.975 5.897 5.251 280 HD2 PHE 36 HD1 PHE 36 -4.849 7.132 6.646 281 HE1 PHE 36 HE2 PHE 36 -0.321 8.260 4.972 282 HE2 PHE 36 HE1 PHE 36 -4.184 9.502 6.362 283 HZ PHE 36 HZ PHE 36 -1.922 10.057 5.525 284 H ALA 37 HN ALA 37 -4.318 3.296 3.016 285 HA ALA 37 HA ALA 37 -5.981 1.417 4.319 286 HB1 ALA 37 HB1 ALA 37 -5.117 1.777 1.466 287 HB2 ALA 37 HB2 ALA 37 -6.724 1.947 2.169 288 HB3 ALA 37 HB3 ALA 37 -6.043 0.343 1.906 289 H ASN 38 HN ASN 38 -5.877 -0.918 4.347 290 HA ASN 38 HA ASN 38 -3.140 -1.908 4.806 291 HB2 ASN 38 HB2 ASN 38 -5.901 -3.062 5.233 292 HB3 ASN 38 HB1 ASN 38 -4.438 -4.013 5.453 293 HD21 ASN 38 HD21 ASN 38 -6.573 -2.629 7.365 294 HD22 ASN 38 HD22 ASN 38 -5.584 -1.935 8.557 295 H THR 39 HN THR 39 -2.318 -3.822 3.714 296 HA THR 39 HA THR 39 -3.265 -3.995 0.910 297 HB THR 39 HB THR 39 -0.923 -5.501 2.088 298 HG1 THR 39 HG1 THR 39 -1.007 -3.104 2.482 299 HG21 THR 39 HG21 THR 39 -1.761 -5.978 -0.233 300 HG22 THR 39 HG22 THR 39 -0.098 -5.392 -0.188 301 HG23 THR 39 HG23 THR 39 -1.405 -4.303 -0.655 302 H CYS 40 HN CYS 40 -4.344 -5.745 0.106 303 HA CYS 40 HA CYS 40 -5.116 -7.897 1.986 304 HB2 CYS 40 HB2 CYS 40 -6.930 -7.130 0.670 305 HB3 CYS 40 HB1 CYS 40 -5.969 -7.104 -0.804 306 H GLU 41 HN GLU 41 -3.529 -9.332 2.237 307 HA GLU 41 HA GLU 41 -1.414 -9.998 0.587 308 HB2 GLU 41 HB2 GLU 41 -2.994 -11.931 2.303 309 HB3 GLU 41 HB1 GLU 41 -1.318 -12.116 1.792 310 HG2 GLU 41 HG2 GLU 41 -0.667 -10.125 3.039 311 HG3 GLU 41 HG1 GLU 41 -2.342 -9.793 3.459 312 H GLU 42 HN GLU 42 -4.745 -10.696 0.011 313 HA GLU 42 HA GLU 42 -4.144 -12.897 -1.876 314 HB2 GLU 42 HB2 GLU 42 -6.267 -12.637 -0.336 315 HB3 GLU 42 HB1 GLU 42 -6.852 -11.593 -1.627 316 HG2 GLU 42 HG2 GLU 42 -5.948 -14.470 -1.939 317 HG3 GLU 42 HG1 GLU 42 -7.613 -13.891 -1.991 318 H CYS 43 HN CYS 43 -5.696 -9.663 -2.101 319 HA CYS 43 HA CYS 43 -5.421 -9.682 -5.023 320 HB2 CYS 43 HB2 CYS 43 -6.253 -7.427 -3.173 321 HB3 CYS 43 HB1 CYS 43 -6.478 -7.481 -4.921 322 H GLY 44 HN GLY 44 -3.969 -7.942 -2.283 323 HA2 GLY 44 HA2 GLY 44 -1.673 -7.217 -2.217 324 HA3 GLY 44 HA1 GLY 44 -1.599 -7.344 -3.977 325 H LYS 45 HN LYS 45 -4.471 -5.940 -3.525 326 HA LYS 45 HA LYS 45 -3.378 -3.227 -3.970 327 HB2 LYS 45 HB2 LYS 45 -6.260 -4.157 -4.107 328 HB3 LYS 45 HB1 LYS 45 -5.588 -2.685 -4.802 329 HG2 LYS 45 HG2 LYS 45 -4.148 -4.060 -6.284 330 HG3 LYS 45 HG1 LYS 45 -4.887 -5.517 -5.620 331 HD2 LYS 45 HD2 LYS 45 -7.128 -4.614 -6.351 332 HD3 LYS 45 HD1 LYS 45 -6.266 -3.321 -7.186 333 HE2 LYS 45 HE2 LYS 45 -5.080 -4.949 -8.564 334 HE3 LYS 45 HE1 LYS 45 -5.825 -6.280 -7.679 335 HZ1 LYS 45 HZ1 LYS 45 -7.271 -4.246 -9.289 336 HZ2 LYS 45 HZ2 LYS 45 -7.991 -5.523 -8.432 337 HZ3 LYS 45 HZ3 LYS 45 -6.977 -5.849 -9.756 338 HA PRO 46 HA PRO 46 -4.295 -1.905 0.167 339 HB2 PRO 46 HB2 PRO 46 -5.537 0.607 -0.606 340 HB3 PRO 46 HB1 PRO 46 -3.920 0.352 0.061 341 HG2 PRO 46 HG2 PRO 46 -4.629 1.016 -2.663 342 HG3 PRO 46 HG1 PRO 46 -3.009 0.771 -1.993 343 HD2 PRO 46 HD2 PRO 46 -4.441 -0.978 -3.766 344 HD3 PRO 46 HD1 PRO 46 -2.850 -1.254 -3.034 345 H ILE 47 HN ILE 47 -6.095 -2.101 1.556 346 HA ILE 47 HA ILE 47 -8.703 -2.662 0.245 347 HB ILE 47 HB ILE 47 -7.928 -3.029 3.160 348 HG12 ILE 47 HG12 ILE 47 -7.901 -5.049 0.892 349 HG13 ILE 47 HG11 ILE 47 -6.466 -4.343 1.618 350 HG21 ILE 47 HG21 ILE 47 -9.861 -4.676 3.016 351 HG22 ILE 47 HG22 ILE 47 -10.206 -4.019 1.419 352 HG23 ILE 47 HG23 ILE 47 -10.321 -2.985 2.840 353 HD11 ILE 47 HD11 ILE 47 -6.596 -6.281 2.863 354 HD12 ILE 47 HD12 ILE 47 -8.351 -6.373 2.730 355 HD13 ILE 47 HD13 ILE 47 -7.612 -5.243 3.862 356 H GLY 48 HN GLY 48 -9.758 -0.740 -0.094 357 HA2 GLY 48 HA2 GLY 48 -9.517 1.560 1.611 358 HA3 GLY 48 HA1 GLY 48 -10.756 1.334 0.378 359 H CYS 49 HN CYS 49 -11.463 2.540 2.748 360 HA CYS 49 HA CYS 49 -12.530 0.579 4.632 361 HB2 CYS 49 HB2 CYS 49 -12.840 3.572 4.322 362 HB3 CYS 49 HB1 CYS 49 -13.721 2.659 5.547 363 HG CYS 49 HG CYS 49 -11.246 3.600 6.323 364 H ASP 50 HN ASP 50 -13.507 1.769 1.610 365 HA ASP 50 HA ASP 50 -16.367 1.791 2.001 366 HB2 ASP 50 HB2 ASP 50 -15.150 2.829 0.045 367 HB3 ASP 50 HB1 ASP 50 -14.869 1.199 -0.569 368 H CYS 51 HN CYS 51 -14.386 -0.654 2.593 369 HA CYS 51 HA CYS 51 -16.425 -2.701 1.885 370 HB2 CYS 51 HB2 CYS 51 -13.460 -2.956 1.280 371 HB3 CYS 51 HB1 CYS 51 -14.650 -4.245 1.103 372 HG CYS 51 HG CYS 51 -15.014 -1.608 -0.526 373 H LYS 52 HN LYS 52 -16.171 -4.658 3.237 374 HA LYS 52 HA LYS 52 -15.386 -3.959 5.942 375 HB2 LYS 52 HB2 LYS 52 -15.875 -6.823 5.189 376 HB3 LYS 52 HB1 LYS 52 -16.460 -5.914 6.582 377 HG2 LYS 52 HG2 LYS 52 -17.874 -4.579 4.887 378 HG3 LYS 52 HG1 LYS 52 -17.491 -5.870 3.745 379 HD2 LYS 52 HD2 LYS 52 -18.358 -7.514 5.467 380 HD3 LYS 52 HD1 LYS 52 -18.947 -6.129 6.388 381 HE2 LYS 52 HE2 LYS 52 -20.334 -5.422 4.502 382 HE3 LYS 52 HE1 LYS 52 -19.696 -6.735 3.513 383 HZ1 LYS 52 HZ1 LYS 52 -21.755 -7.461 4.366 384 HZ2 LYS 52 HZ2 LYS 52 -21.381 -6.947 5.941 385 HZ3 LYS 52 HZ3 LYS 52 -20.569 -8.276 5.262 386 H ASP 53 HN ASP 53 -13.152 -3.606 6.040 387 HA ASP 53 HA ASP 53 -11.225 -5.360 4.793 388 HB2 ASP 53 HB2 ASP 53 -9.574 -4.163 6.209 389 HB3 ASP 53 HB1 ASP 53 -10.655 -3.040 5.383 390 H LEU 54 HN LEU 54 -11.437 -7.505 5.425 391 HA LEU 54 HA LEU 54 -12.052 -8.311 8.087 392 HB2 LEU 54 HB2 LEU 54 -12.001 -9.598 5.717 393 HB3 LEU 54 HB1 LEU 54 -10.431 -10.106 6.297 394 HG LEU 54 HG LEU 54 -13.107 -11.079 7.041 395 HD11 LEU 54 HD11 LEU 54 -11.704 -12.973 7.974 396 HD12 LEU 54 HD12 LEU 54 -10.283 -12.071 7.454 397 HD13 LEU 54 HD13 LEU 54 -11.471 -12.608 6.269 398 HD21 LEU 54 HD21 LEU 54 -12.356 -11.550 9.491 399 HD22 LEU 54 HD22 LEU 54 -13.068 -9.988 9.131 400 HD23 LEU 54 HD23 LEU 54 -11.318 -10.147 9.290 401 H SER 55 HN SER 55 -10.710 -8.250 9.860 402 HA SER 55 HA SER 55 -7.745 -8.121 9.392 403 HB2 SER 55 HB2 SER 55 -9.118 -7.162 11.893 404 HB3 SER 55 HB1 SER 55 -7.536 -6.715 11.259 405 HG SER 55 HG SER 55 -9.453 -5.233 10.963 406 H TYR 56 HN TYR 56 -6.595 -9.826 10.155 407 HA TYR 56 HA TYR 56 -7.565 -11.312 12.528 408 HB2 TYR 56 HB2 TYR 56 -8.428 -12.275 10.200 409 HB3 TYR 56 HB1 TYR 56 -6.798 -12.941 10.112 410 HD1 TYR 56 HD1 TYR 56 -5.953 -14.279 12.123 411 HD2 TYR 56 HD2 TYR 56 -10.086 -13.342 11.514 412 HE1 TYR 56 HE1 TYR 56 -6.585 -16.106 13.676 413 HE2 TYR 56 HE2 TYR 56 -10.728 -15.167 13.065 414 HH TYR 56 HH TYR 56 -9.533 -17.435 13.830 415 H LYS 57 HN LYS 57 -5.847 -11.974 13.767 416 HA LYS 57 HA LYS 57 -3.617 -12.032 14.492 417 HB2 LYS 57 HB2 LYS 57 -3.880 -14.110 13.070 418 HB3 LYS 57 HB1 LYS 57 -3.122 -13.219 11.755 419 HG2 LYS 57 HG2 LYS 57 -1.107 -12.887 13.103 420 HG3 LYS 57 HG1 LYS 57 -1.877 -13.648 14.490 421 HD2 LYS 57 HD2 LYS 57 -1.410 -15.040 11.835 422 HD3 LYS 57 HD1 LYS 57 -0.323 -15.169 13.215 423 HE2 LYS 57 HE2 LYS 57 -2.543 -15.867 14.500 424 HE3 LYS 57 HE1 LYS 57 -3.090 -16.282 12.876 425 HZ1 LYS 57 HZ1 LYS 57 -0.452 -17.180 13.822 426 HZ2 LYS 57 HZ2 LYS 57 -1.450 -17.855 12.625 427 HZ3 LYS 57 HZ3 LYS 57 -1.849 -18.033 14.267 428 H ASP 58 HN ASP 58 -4.066 -9.522 13.830 429 HA ASP 58 HA ASP 58 -3.083 -7.530 13.097 430 HB2 ASP 58 HB2 ASP 58 -1.224 -8.557 14.432 431 HB3 ASP 58 HB1 ASP 58 -0.585 -9.229 12.932 432 H ARG 59 HN ARG 59 -3.794 -9.830 10.988 433 HA ARG 59 HA ARG 59 -2.351 -8.552 8.681 434 HB2 ARG 59 HB2 ARG 59 -3.648 -11.281 8.931 435 HB3 ARG 59 HB1 ARG 59 -3.024 -10.616 7.425 436 HG2 ARG 59 HG2 ARG 59 -0.799 -10.552 8.270 437 HG3 ARG 59 HG1 ARG 59 -1.329 -10.845 9.912 438 HD2 ARG 59 HD2 ARG 59 -2.118 -13.070 9.258 439 HD3 ARG 59 HD1 ARG 59 -1.586 -12.790 7.606 440 HE ARG 59 HE ARG 59 0.029 -13.635 9.847 441 HH11 ARG 59 HH21 ARG 59 0.123 -11.565 7.092 442 HH12 ARG 59 HH22 ARG 59 1.852 -11.455 7.086 443 HH21 ARG 59 HH11 ARG 59 2.261 -13.509 9.844 444 HH22 ARG 59 HH12 ARG 59 3.059 -12.554 8.638 445 H HIS 60 HN HIS 60 -3.751 -8.424 6.669 446 HA HIS 60 HA HIS 60 -6.607 -7.816 7.394 447 HB2 HIS 60 HB2 HIS 60 -4.809 -6.314 5.469 448 HB3 HIS 60 HB1 HIS 60 -6.515 -5.976 5.751 449 HD2 HIS 60 HD2 HIS 60 -7.092 -4.986 8.428 450 HE1 HIS 60 HE1 HIS 60 -3.072 -4.017 9.278 451 HE2 HIS 60 HE2 HIS 60 -5.474 -3.732 10.049 452 H TRP 61 HN TRP 61 -8.155 -8.242 5.758 453 HA TRP 61 HA TRP 61 -7.327 -9.467 3.222 454 HB2 TRP 61 HB2 TRP 61 -8.231 -11.062 5.589 455 HB3 TRP 61 HB1 TRP 61 -8.944 -11.513 4.047 456 HD1 TRP 61 HD1 TRP 61 -6.862 -11.630 2.003 457 HE1 TRP 61 HE1 TRP 61 -4.712 -13.042 2.200 458 HE3 TRP 61 HE3 TRP 61 -6.582 -12.128 7.083 459 HZ2 TRP 61 HZ2 TRP 61 -3.081 -14.207 4.233 460 HZ3 TRP 61 HZ3 TRP 61 -4.715 -13.388 8.118 461 HH2 TRP 61 HH2 TRP 61 -2.969 -14.430 6.700 462 H HIS 62 HN HIS 62 -9.123 -9.565 1.747 463 HA HIS 62 HA HIS 62 -11.378 -7.838 2.446 464 HB2 HIS 62 HB2 HIS 62 -10.776 -9.586 0.047 465 HB3 HIS 62 HB1 HIS 62 -12.292 -8.723 0.207 466 HD2 HIS 62 HD2 HIS 62 -11.682 -5.770 0.738 467 HE1 HIS 62 HE1 HIS 62 -8.361 -5.972 -1.859 468 HE2 HIS 62 HE2 HIS 62 -9.957 -4.402 -0.664 469 H GLU 63 HN GLU 63 -13.231 -8.606 3.452 470 HA GLU 63 HA GLU 63 -13.512 -11.051 4.675 471 HB2 GLU 63 HB2 GLU 63 -15.102 -8.921 4.542 472 HB3 GLU 63 HB1 GLU 63 -15.982 -9.909 3.380 473 HG2 GLU 63 HG2 GLU 63 -16.166 -11.714 5.053 474 HG3 GLU 63 HG1 GLU 63 -15.272 -10.734 6.216 475 H ALA 64 HN ALA 64 -13.877 -10.434 1.251 476 HA ALA 64 HA ALA 64 -15.084 -13.090 0.746 477 HB1 ALA 64 HB1 ALA 64 -15.839 -11.116 -0.547 478 HB2 ALA 64 HB2 ALA 64 -15.168 -12.370 -1.589 479 HB3 ALA 64 HB3 ALA 64 -14.211 -10.940 -1.202 480 H CYS 65 HN CYS 65 -11.908 -11.629 0.723 481 HA CYS 65 HA CYS 65 -10.750 -13.599 -1.111 482 HB2 CYS 65 HB2 CYS 65 -9.604 -11.465 0.674 483 HB3 CYS 65 HB1 CYS 65 -8.562 -12.623 -0.147 484 H PHE 66 HN PHE 66 -11.152 -13.307 2.354 485 HA PHE 66 HA PHE 66 -9.269 -15.404 3.023 486 HB2 PHE 66 HB2 PHE 66 -10.399 -13.480 4.454 487 HB3 PHE 66 HB1 PHE 66 -11.624 -14.703 4.760 488 HD1 PHE 66 HD2 PHE 66 -10.431 -17.157 5.199 489 HD2 PHE 66 HD1 PHE 66 -8.778 -13.312 6.113 490 HE1 PHE 66 HE2 PHE 66 -8.973 -18.200 6.898 491 HE2 PHE 66 HE1 PHE 66 -7.307 -14.351 7.821 492 HZ PHE 66 HZ PHE 66 -7.404 -16.799 8.211 493 H HIS 67 HN HIS 67 -9.684 -17.393 2.043 494 HA HIS 67 HA HIS 67 -12.183 -18.737 2.820 495 HB2 HIS 67 HB2 HIS 67 -12.584 -19.449 0.405 496 HB3 HIS 67 HB1 HIS 67 -12.936 -17.761 0.768 497 HD2 HIS 67 HD2 HIS 67 -10.089 -19.841 -1.040 498 HE1 HIS 67 HE1 HIS 67 -9.741 -15.788 -2.172 499 HE2 HIS 67 HE2 HIS 67 -8.848 -18.131 -2.574 500 H CYS 68 HN CYS 68 -12.179 -21.083 1.895 501 HA CYS 68 HA CYS 68 -9.580 -22.266 2.582 502 HB2 CYS 68 HB2 CYS 68 -11.475 -23.456 3.430 503 HB3 CYS 68 HB1 CYS 68 -12.293 -23.410 1.879 504 H SER 69 HN SER 69 -8.243 -23.408 1.114 505 HA SER 69 HA SER 69 -8.384 -22.534 -1.640 506 HB2 SER 69 HB2 SER 69 -6.290 -23.125 -0.258 507 HB3 SER 69 HB1 SER 69 -6.672 -24.802 -0.622 508 HG SER 69 HG SER 69 -6.261 -22.699 -2.490 509 H GLN 70 HN GLN 70 -9.584 -25.346 0.054 510 HA GLN 70 HA GLN 70 -10.011 -26.814 -2.507 511 HB2 GLN 70 HB2 GLN 70 -10.651 -27.730 0.305 512 HB3 GLN 70 HB1 GLN 70 -10.535 -28.728 -1.143 513 HG2 GLN 70 HG2 GLN 70 -8.188 -27.097 -0.187 514 HG3 GLN 70 HG1 GLN 70 -8.498 -28.698 0.464 515 HE21 GLN 70 HE21 GLN 70 -6.670 -27.193 -1.804 516 HE22 GLN 70 HE22 GLN 70 -6.553 -28.425 -2.958 517 H CYS 71 HN CYS 71 -11.904 -25.746 0.322 518 HA CYS 71 HA CYS 71 -14.421 -26.329 -1.118 519 HB2 CYS 71 HB2 CYS 71 -14.229 -24.930 1.550 520 HB3 CYS 71 HB1 CYS 71 -15.525 -25.951 0.926 521 H ARG 72 HN ARG 72 -12.332 -23.654 -0.720 522 HA ARG 72 HA ARG 72 -12.549 -21.412 -1.309 523 HB2 ARG 72 HB2 ARG 72 -13.720 -22.937 -3.317 524 HB3 ARG 72 HB1 ARG 72 -14.990 -21.786 -2.938 525 HG2 ARG 72 HG2 ARG 72 -12.122 -21.021 -3.574 526 HG3 ARG 72 HG1 ARG 72 -13.440 -20.997 -4.743 527 HD2 ARG 72 HD2 ARG 72 -14.648 -19.348 -3.392 528 HD3 ARG 72 HD1 ARG 72 -13.390 -19.409 -2.158 529 HE ARG 72 HE ARG 72 -12.019 -18.739 -4.472 530 HH11 ARG 72 HH21 ARG 72 -14.761 -17.556 -2.750 531 HH12 ARG 72 HH22 ARG 72 -14.519 -15.910 -3.233 532 HH21 ARG 72 HH11 ARG 72 -11.687 -16.599 -5.111 533 HH22 ARG 72 HH12 ARG 72 -12.778 -15.368 -4.569 534 H ASN 73 HN ASN 73 -14.275 -22.761 0.863 535 HA ASN 73 HA ASN 73 -16.662 -21.118 1.060 536 HB2 ASN 73 HB2 ASN 73 -15.103 -22.897 2.925 537 HB3 ASN 73 HB1 ASN 73 -16.333 -21.822 3.596 538 HD21 ASN 73 HD21 ASN 73 -18.429 -22.613 3.591 539 HD22 ASN 73 HD22 ASN 73 -18.987 -23.886 2.621 540 H SER 74 HN SER 74 -16.875 -19.260 2.495 541 HA SER 74 HA SER 74 -14.373 -17.691 2.621 542 HB2 SER 74 HB2 SER 74 -17.137 -16.883 3.564 543 HB3 SER 74 HB1 SER 74 -15.782 -15.821 3.191 544 HG SER 74 HG SER 74 -16.756 -15.790 1.306 545 H LEU 75 HN LEU 75 -13.113 -18.534 4.328 546 HA LEU 75 HA LEU 75 -14.358 -19.135 6.912 547 HB2 LEU 75 HB2 LEU 75 -11.399 -18.789 6.493 548 HB3 LEU 75 HB1 LEU 75 -12.228 -19.828 7.635 549 HG LEU 75 HG LEU 75 -12.555 -20.282 4.660 550 HD11 LEU 75 HD11 LEU 75 -10.090 -20.188 5.284 551 HD12 LEU 75 HD12 LEU 75 -10.655 -21.696 4.591 552 HD13 LEU 75 HD13 LEU 75 -10.403 -21.574 6.326 553 HD21 LEU 75 HD21 LEU 75 -13.024 -22.544 5.386 554 HD22 LEU 75 HD22 LEU 75 -14.002 -21.433 6.344 555 HD23 LEU 75 HD23 LEU 75 -12.548 -22.150 7.038 556 H VAL 76 HN VAL 76 -14.950 -17.470 8.199 557 HA VAL 76 HA VAL 76 -13.058 -15.200 8.560 558 HB VAL 76 HB VAL 76 -16.009 -14.997 7.874 559 HG11 VAL 76 HG11 VAL 76 -15.582 -12.495 8.283 560 HG12 VAL 76 HG12 VAL 76 -14.157 -13.003 9.188 561 HG13 VAL 76 HG13 VAL 76 -15.760 -13.508 9.716 562 HG21 VAL 76 HG21 VAL 76 -13.566 -13.605 6.732 563 HG22 VAL 76 HG22 VAL 76 -15.205 -13.556 6.092 564 HG23 VAL 76 HG23 VAL 76 -14.285 -15.055 6.035 565 H ASP 77 HN ASP 77 -12.770 -14.892 10.746 566 HA ASP 77 HA ASP 77 -13.050 -15.290 13.050 567 HB2 ASP 77 HB2 ASP 77 -14.879 -13.680 12.771 568 HB3 ASP 77 HB1 ASP 77 -15.956 -14.967 12.233 569 H LYS 78 HN LYS 78 -13.479 -17.493 10.847 570 HA LYS 78 HA LYS 78 -14.717 -19.561 12.623 571 HB2 LYS 78 HB2 LYS 78 -14.612 -19.134 9.655 572 HB3 LYS 78 HB1 LYS 78 -14.607 -20.801 10.221 573 HG2 LYS 78 HG2 LYS 78 -16.701 -20.520 11.351 574 HG3 LYS 78 HG1 LYS 78 -16.639 -18.768 11.166 575 HD2 LYS 78 HD2 LYS 78 -18.193 -19.752 9.529 576 HD3 LYS 78 HD1 LYS 78 -16.813 -19.018 8.714 577 HE2 LYS 78 HE2 LYS 78 -17.535 -21.366 7.926 578 HE3 LYS 78 HE1 LYS 78 -15.821 -21.119 8.252 579 HZ1 LYS 78 HZ1 LYS 78 -17.774 -22.262 10.176 580 HZ2 LYS 78 HZ2 LYS 78 -16.101 -22.089 10.423 581 HZ3 LYS 78 HZ3 LYS 78 -16.682 -23.168 9.247 582 HA PRO 79 HA PRO 79 -10.711 -21.366 13.082 583 HB2 PRO 79 HB2 PRO 79 -11.390 -24.109 12.662 584 HB3 PRO 79 HB1 PRO 79 -11.318 -23.263 14.212 585 HG2 PRO 79 HG2 PRO 79 -13.691 -24.088 12.678 586 HG3 PRO 79 HG1 PRO 79 -13.592 -23.554 14.362 587 HD2 PRO 79 HD2 PRO 79 -14.637 -22.044 12.196 588 HD3 PRO 79 HD1 PRO 79 -14.231 -21.426 13.811 589 H PHE 80 HN PHE 80 -8.999 -21.687 11.673 590 HA PHE 80 HA PHE 80 -9.413 -23.093 9.109 591 HB2 PHE 80 HB2 PHE 80 -8.431 -21.249 7.769 592 HB3 PHE 80 HB1 PHE 80 -9.984 -20.788 8.481 593 HD1 PHE 80 HD1 PHE 80 -6.272 -20.527 8.931 594 HD2 PHE 80 HD2 PHE 80 -10.121 -18.924 9.945 595 HE1 PHE 80 HE1 PHE 80 -5.183 -18.604 10.050 596 HE2 PHE 80 HE2 PHE 80 -9.031 -17.004 11.067 597 HZ PHE 80 HZ PHE 80 -6.556 -16.843 11.117 598 H ALA 81 HN ALA 81 -7.442 -23.823 8.210 599 HA ALA 81 HA ALA 81 -5.154 -23.760 10.111 600 HB1 ALA 81 HB1 ALA 81 -5.238 -25.346 7.544 601 HB2 ALA 81 HB2 ALA 81 -6.117 -25.908 8.968 602 HB3 ALA 81 HB3 ALA 81 -4.367 -25.701 9.037 603 H ALA 82 HN ALA 82 -3.718 -22.155 9.755 604 HA ALA 82 HA ALA 82 -3.617 -20.754 7.195 605 HB1 ALA 82 HB1 ALA 82 -1.596 -20.399 9.409 606 HB2 ALA 82 HB2 ALA 82 -3.240 -19.794 9.594 607 HB3 ALA 82 HB3 ALA 82 -2.229 -19.200 8.280 608 H LYS 83 HN LYS 83 -2.673 -21.856 5.552 609 HA LYS 83 HA LYS 83 -0.265 -23.508 6.045 610 HB2 LYS 83 HB2 LYS 83 -1.918 -24.505 4.596 611 HB3 LYS 83 HB1 LYS 83 -1.986 -23.066 3.592 612 HG2 LYS 83 HG2 LYS 83 0.121 -23.454 2.640 613 HG3 LYS 83 HG1 LYS 83 0.626 -24.518 3.954 614 HD2 LYS 83 HD2 LYS 83 -1.058 -26.191 3.218 615 HD3 LYS 83 HD1 LYS 83 -1.492 -25.136 1.873 616 HE2 LYS 83 HE2 LYS 83 0.059 -26.663 0.939 617 HE3 LYS 83 HE1 LYS 83 1.013 -25.212 1.246 618 HZ1 LYS 83 HZ1 LYS 83 2.320 -26.812 2.191 619 HZ2 LYS 83 HZ2 LYS 83 1.007 -27.775 2.677 620 HZ3 LYS 83 HZ3 LYS 83 1.390 -26.361 3.536 621 H GLU 84 HN GLU 84 1.634 -23.143 4.617 622 HA GLU 84 HA GLU 84 2.909 -20.777 4.907 623 HB2 GLU 84 HB2 GLU 84 2.988 -22.631 2.526 624 HB3 GLU 84 HB1 GLU 84 4.102 -21.278 2.705 625 HG2 GLU 84 HG2 GLU 84 3.721 -23.380 4.848 626 HG3 GLU 84 HG1 GLU 84 4.951 -23.509 3.590 627 H ASP 85 HN ASP 85 1.063 -21.414 1.868 628 HA ASP 85 HA ASP 85 0.716 -18.437 1.615 629 HB2 ASP 85 HB2 ASP 85 1.466 -20.558 -0.384 630 HB3 ASP 85 HB1 ASP 85 0.598 -19.129 -0.931 631 H GLN 86 HN GLN 86 -0.948 -21.238 2.250 632 HA GLN 86 HA GLN 86 -3.434 -20.187 0.912 633 HB2 GLN 86 HB2 GLN 86 -2.857 -23.102 1.444 634 HB3 GLN 86 HB1 GLN 86 -4.140 -22.413 0.455 635 HG2 GLN 86 HG2 GLN 86 -1.190 -22.083 -0.161 636 HG3 GLN 86 HG1 GLN 86 -2.207 -23.339 -0.847 637 HE21 GLN 86 HE21 GLN 86 -0.948 -21.234 -2.426 638 HE22 GLN 86 HE22 GLN 86 -2.193 -20.302 -3.106 639 H LEU 87 HN LEU 87 -5.429 -21.120 1.906 640 HA LEU 87 HA LEU 87 -5.211 -21.489 4.857 641 HB2 LEU 87 HB2 LEU 87 -7.041 -19.657 3.281 642 HB3 LEU 87 HB1 LEU 87 -7.532 -20.277 4.856 643 HG LEU 87 HG LEU 87 -4.805 -19.033 4.583 644 HD11 LEU 87 HD11 LEU 87 -5.987 -16.848 5.337 645 HD12 LEU 87 HD12 LEU 87 -7.438 -17.568 4.638 646 HD13 LEU 87 HD13 LEU 87 -6.029 -17.264 3.624 647 HD21 LEU 87 HD21 LEU 87 -5.842 -20.243 6.663 648 HD22 LEU 87 HD22 LEU 87 -6.728 -18.739 6.873 649 HD23 LEU 87 HD23 LEU 87 -4.968 -18.732 6.890 650 H LEU 88 HN LEU 88 -6.404 -23.230 5.561 651 HA LEU 88 HA LEU 88 -8.329 -24.497 3.635 652 HB2 LEU 88 HB2 LEU 88 -6.066 -25.771 5.195 653 HB3 LEU 88 HB1 LEU 88 -7.361 -26.704 4.453 654 HG LEU 88 HG LEU 88 -5.866 -24.713 2.755 655 HD11 LEU 88 HD11 LEU 88 -4.842 -27.436 3.577 656 HD12 LEU 88 HD12 LEU 88 -4.025 -25.883 3.752 657 HD13 LEU 88 HD13 LEU 88 -4.272 -26.573 2.148 658 HD21 LEU 88 HD21 LEU 88 -7.795 -25.852 1.793 659 HD22 LEU 88 HD22 LEU 88 -7.126 -27.421 2.244 660 HD23 LEU 88 HD23 LEU 88 -6.320 -26.437 1.024 661 H CYS 89 HN CYS 89 -9.738 -26.131 4.799 662 HA CYS 89 HA CYS 89 -10.650 -24.972 7.351 663 HB2 CYS 89 HB2 CYS 89 -11.746 -27.448 5.992 664 HB3 CYS 89 HB1 CYS 89 -12.567 -26.379 7.123 665 H THR 90 HN THR 90 -10.335 -25.982 9.353 666 HA THR 90 HA THR 90 -8.180 -27.703 9.787 667 HB THR 90 HB THR 90 -9.078 -26.788 11.753 668 HG1 THR 90 HG1 THR 90 -9.347 -28.533 12.950 669 HG21 THR 90 HG21 THR 90 -11.754 -27.765 10.733 670 HG22 THR 90 HG22 THR 90 -11.226 -26.094 10.932 671 HG23 THR 90 HG23 THR 90 -11.518 -27.102 12.350 672 H ASP 91 HN ASP 91 -11.172 -28.422 8.331 673 HA ASP 91 HA ASP 91 -11.065 -31.318 8.855 674 HB2 ASP 91 HB2 ASP 91 -12.796 -29.616 7.052 675 HB3 ASP 91 HB1 ASP 91 -12.956 -31.366 7.186 676 H CYS 92 HN CYS 92 -10.521 -29.092 6.125 677 HA CYS 92 HA CYS 92 -9.597 -31.223 4.362 678 HB2 CYS 92 HB2 CYS 92 -8.996 -28.286 3.981 679 HB3 CYS 92 HB1 CYS 92 -9.251 -29.524 2.752 680 H TYR 93 HN TYR 93 -8.097 -28.729 6.385 681 HA TYR 93 HA TYR 93 -5.403 -29.123 5.602 682 HB2 TYR 93 HB2 TYR 93 -6.348 -27.330 7.129 683 HB3 TYR 93 HB1 TYR 93 -6.343 -28.531 8.413 684 HD1 TYR 93 HD2 TYR 93 -4.094 -26.982 5.840 685 HD2 TYR 93 HD1 TYR 93 -4.399 -28.914 9.664 686 HE1 TYR 93 HE2 TYR 93 -1.677 -26.588 6.234 687 HE2 TYR 93 HE1 TYR 93 -1.985 -28.529 10.055 688 HH TYR 93 HH TYR 93 -0.090 -26.488 7.963 689 H SER 94 HN SER 94 -7.261 -30.662 8.206 690 HA SER 94 HA SER 94 -5.139 -32.384 9.075 691 HB2 SER 94 HB2 SER 94 -8.147 -32.583 9.352 692 HB3 SER 94 HB1 SER 94 -7.035 -33.721 10.106 693 HG SER 94 HG SER 94 -6.798 -32.287 11.611 694 H ASN 95 HN ASN 95 -7.328 -32.557 6.374 695 HA ASN 95 HA ASN 95 -7.145 -35.429 6.008 696 HB2 ASN 95 HB2 ASN 95 -7.968 -33.169 4.175 697 HB3 ASN 95 HB1 ASN 95 -7.950 -34.852 3.655 698 HD21 ASN 95 HD21 ASN 95 -10.278 -32.914 4.207 699 HD22 ASN 95 HD22 ASN 95 -11.280 -33.770 5.277 700 H GLU 96 HN GLU 96 -5.271 -32.647 4.867 701 HA GLU 96 HA GLU 96 -3.512 -34.490 3.296 702 HB2 GLU 96 HB2 GLU 96 -2.449 -32.216 2.616 703 HB3 GLU 96 HB1 GLU 96 -4.032 -32.623 1.959 704 HG2 GLU 96 HG2 GLU 96 -5.158 -31.134 3.378 705 HG3 GLU 96 HG1 GLU 96 -3.831 -31.073 4.537 706 H TYR 97 HN TYR 97 -3.461 -32.146 5.954 707 HA TYR 97 HA TYR 97 -0.656 -32.235 6.463 708 HB2 TYR 97 HB2 TYR 97 -2.098 -30.548 7.491 709 HB3 TYR 97 HB1 TYR 97 -2.981 -31.800 8.363 710 HD1 TYR 97 HD2 TYR 97 0.334 -30.156 8.000 711 HD2 TYR 97 HD1 TYR 97 -2.123 -32.753 10.382 712 HE1 TYR 97 HE2 TYR 97 2.007 -30.062 9.828 713 HE2 TYR 97 HE1 TYR 97 -0.449 -32.659 12.210 714 HH TYR 97 HH TYR 97 2.687 -31.443 11.770 715 H SER 98 HN SER 98 -3.288 -34.396 7.309 716 HA SER 98 HA SER 98 -1.649 -35.964 9.172 717 HB2 SER 98 HB2 SER 98 -4.334 -36.636 7.935 718 HB3 SER 98 HB1 SER 98 -3.597 -37.421 9.329 719 HG SER 98 HG SER 98 -4.647 -35.934 10.392 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -14.445 31.982 -1.928 2 H2 MET 1 HT2 MET 1 -15.520 30.805 -1.341 3 H3 MET 1 HT3 MET 1 -15.205 30.917 -3.006 4 HA MET 1 HA MET 1 -13.547 29.794 -0.863 5 HB2 MET 1 HB2 MET 1 -14.100 29.050 -3.754 6 HB3 MET 1 HB1 MET 1 -13.124 28.104 -2.629 7 HG2 MET 1 HG2 MET 1 -15.152 28.030 -1.103 8 HG3 MET 1 HG1 MET 1 -16.083 28.716 -2.434 9 HE1 MET 1 HE1 MET 1 -16.167 26.233 -5.161 10 HE2 MET 1 HE2 MET 1 -14.666 27.153 -5.086 11 HE3 MET 1 HE3 MET 1 -16.185 27.923 -4.638 12 H THR 2 HN THR 2 -11.989 31.515 -0.648 13 HA THR 2 HA THR 2 -10.546 32.474 -2.997 14 HB THR 2 HB THR 2 -10.891 33.860 -0.935 15 HG1 THR 2 HG1 THR 2 -9.006 33.941 -2.492 16 HG21 THR 2 HG21 THR 2 -10.443 31.841 0.588 17 HG22 THR 2 HG22 THR 2 -9.728 33.378 1.075 18 HG23 THR 2 HG23 THR 2 -8.731 32.149 0.296 19 H GLU 3 HN GLU 3 -9.860 30.254 -0.306 20 HA GLU 3 HA GLU 3 -7.176 29.637 -1.146 21 HB2 GLU 3 HB2 GLU 3 -7.299 27.829 0.449 22 HB3 GLU 3 HB1 GLU 3 -8.145 29.206 1.147 23 HG2 GLU 3 HG2 GLU 3 -10.282 28.182 0.120 24 HG3 GLU 3 HG1 GLU 3 -9.327 26.715 -0.090 25 H ARG 4 HN ARG 4 -6.719 27.172 -1.619 26 HA ARG 4 HA ARG 4 -8.204 26.549 -4.107 27 HB2 ARG 4 HB2 ARG 4 -5.635 25.446 -2.941 28 HB3 ARG 4 HB1 ARG 4 -6.291 25.033 -4.520 29 HG2 ARG 4 HG2 ARG 4 -5.776 27.915 -3.752 30 HG3 ARG 4 HG1 ARG 4 -4.483 26.907 -4.395 31 HD2 ARG 4 HD2 ARG 4 -6.087 26.382 -6.349 32 HD3 ARG 4 HD1 ARG 4 -7.055 27.729 -5.753 33 HE ARG 4 HE ARG 4 -4.513 28.797 -5.961 34 HH11 ARG 4 HH21 ARG 4 -6.670 27.056 -8.012 35 HH12 ARG 4 HH22 ARG 4 -6.102 27.804 -9.467 36 HH21 ARG 4 HH11 ARG 4 -3.759 29.784 -7.851 37 HH22 ARG 4 HH12 ARG 4 -4.454 29.348 -9.377 38 H PHE 5 HN PHE 5 -9.272 24.593 -4.400 39 HA PHE 5 HA PHE 5 -9.576 22.857 -1.969 40 HB2 PHE 5 HB2 PHE 5 -11.538 24.356 -2.916 41 HB3 PHE 5 HB1 PHE 5 -11.677 23.082 -4.118 42 HD1 PHE 5 HD1 PHE 5 -11.452 23.645 -0.435 43 HD2 PHE 5 HD2 PHE 5 -12.891 21.132 -3.597 44 HE1 PHE 5 HE1 PHE 5 -12.685 22.281 1.217 45 HE2 PHE 5 HE2 PHE 5 -14.132 19.758 -1.939 46 HZ PHE 5 HZ PHE 5 -14.025 20.327 0.465 47 H ASP 6 HN ASP 6 -7.566 21.946 -3.200 48 HA ASP 6 HA ASP 6 -8.551 19.741 -4.970 49 HB2 ASP 6 HB2 ASP 6 -5.874 21.084 -5.397 50 HB3 ASP 6 HB1 ASP 6 -6.724 19.974 -6.474 51 H CYS 7 HN CYS 7 -7.450 17.785 -4.716 52 HA CYS 7 HA CYS 7 -6.435 17.230 -2.129 53 HB2 CYS 7 HB2 CYS 7 -7.284 15.420 -3.386 54 HB3 CYS 7 HB1 CYS 7 -6.264 15.783 -4.763 55 H HIS 8 HN HIS 8 -4.653 18.388 -1.463 56 HA HIS 8 HA HIS 8 -2.605 19.498 -2.953 57 HB2 HIS 8 HB2 HIS 8 -3.012 19.667 -0.462 58 HB3 HIS 8 HB1 HIS 8 -2.131 18.174 -0.283 59 HD2 HIS 8 HD2 HIS 8 0.608 18.541 -0.111 60 HE1 HIS 8 HE1 HIS 8 0.777 22.436 -1.731 61 HE2 HIS 8 HE2 HIS 8 2.145 20.576 -0.673 62 H HIS 9 HN HIS 9 -3.111 16.108 -2.419 63 HA HIS 9 HA HIS 9 -0.303 15.464 -3.110 64 HB2 HIS 9 HB2 HIS 9 -1.352 14.108 -1.390 65 HB3 HIS 9 HB1 HIS 9 -2.665 13.680 -2.473 66 HD2 HIS 9 HD2 HIS 9 -1.205 11.034 -1.677 67 HE1 HIS 9 HE1 HIS 9 1.307 11.489 -5.043 68 HE2 HIS 9 HE2 HIS 9 0.481 9.853 -3.285 69 H CYS 10 HN CYS 10 -3.479 14.371 -4.454 70 HA CYS 10 HA CYS 10 -2.173 13.822 -7.040 71 HB2 CYS 10 HB2 CYS 10 -5.143 13.766 -6.499 72 HB3 CYS 10 HB1 CYS 10 -4.242 12.856 -7.706 73 H ASN 11 HN ASN 11 -3.440 16.488 -5.534 74 HA ASN 11 HA ASN 11 -4.121 18.602 -6.233 75 HB2 ASN 11 HB2 ASN 11 -1.953 18.601 -7.302 76 HB3 ASN 11 HB1 ASN 11 -2.601 17.720 -8.672 77 HD21 ASN 11 HD21 ASN 11 -1.780 19.672 -9.923 78 HD22 ASN 11 HD22 ASN 11 -2.769 21.045 -10.004 79 H GLU 12 HN GLU 12 -5.758 16.103 -6.951 80 HA GLU 12 HA GLU 12 -7.243 17.119 -9.322 81 HB2 GLU 12 HB2 GLU 12 -8.414 15.019 -9.302 82 HB3 GLU 12 HB1 GLU 12 -6.712 14.648 -9.035 83 HG2 GLU 12 HG2 GLU 12 -7.231 14.707 -6.539 84 HG3 GLU 12 HG1 GLU 12 -8.930 14.729 -6.977 85 H SER 13 HN SER 13 -9.161 18.207 -9.088 86 HA SER 13 HA SER 13 -9.987 19.425 -6.732 87 HB2 SER 13 HB2 SER 13 -12.205 19.683 -7.783 88 HB3 SER 13 HB1 SER 13 -10.914 19.992 -8.941 89 HG SER 13 HG SER 13 -12.743 17.907 -8.787 90 H LEU 14 HN LEU 14 -11.075 18.738 -4.878 91 HA LEU 14 HA LEU 14 -11.363 15.962 -4.321 92 HB2 LEU 14 HB2 LEU 14 -12.748 18.359 -3.110 93 HB3 LEU 14 HB1 LEU 14 -12.940 16.738 -2.494 94 HG LEU 14 HG LEU 14 -11.262 17.965 -1.232 95 HD11 LEU 14 HD11 LEU 14 -11.080 15.421 -1.961 96 HD12 LEU 14 HD12 LEU 14 -9.791 16.209 -1.056 97 HD13 LEU 14 HD13 LEU 14 -9.640 16.008 -2.799 98 HD21 LEU 14 HD21 LEU 14 -9.339 18.905 -2.173 99 HD22 LEU 14 HD22 LEU 14 -10.620 19.363 -3.291 100 HD23 LEU 14 HD23 LEU 14 -9.538 18.024 -3.685 101 H PHE 15 HN PHE 15 -12.926 14.558 -4.865 102 HA PHE 15 HA PHE 15 -14.859 15.383 -6.857 103 HB2 PHE 15 HB2 PHE 15 -15.357 12.956 -6.955 104 HB3 PHE 15 HB1 PHE 15 -13.641 13.311 -7.103 105 HD1 PHE 15 HD2 PHE 15 -12.151 13.117 -4.973 106 HD2 PHE 15 HD1 PHE 15 -16.165 11.583 -5.224 107 HE1 PHE 15 HE2 PHE 15 -11.734 11.690 -2.999 108 HE2 PHE 15 HE1 PHE 15 -15.731 10.140 -3.255 109 HZ PHE 15 HZ PHE 15 -13.518 10.195 -2.143 110 H GLY 16 HN GLY 16 -16.572 16.541 -5.976 111 HA2 GLY 16 HA2 GLY 16 -18.593 16.868 -4.811 112 HA3 GLY 16 HA1 GLY 16 -18.857 15.215 -5.338 113 H LYS 17 HN LYS 17 -16.263 15.373 -3.057 114 HA LYS 17 HA LYS 17 -18.226 14.714 -0.860 115 HB2 LYS 17 HB2 LYS 17 -17.458 12.645 -1.882 116 HB3 LYS 17 HB1 LYS 17 -15.778 13.141 -1.681 117 HG2 LYS 17 HG2 LYS 17 -15.855 12.931 0.658 118 HG3 LYS 17 HG1 LYS 17 -17.617 12.994 0.705 119 HD2 LYS 17 HD2 LYS 17 -17.705 10.794 -0.448 120 HD3 LYS 17 HD1 LYS 17 -15.942 10.727 -0.422 121 HE2 LYS 17 HE2 LYS 17 -15.905 10.683 1.987 122 HE3 LYS 17 HE1 LYS 17 -17.635 11.018 2.073 123 HZ1 LYS 17 HZ1 LYS 17 -18.142 8.915 1.189 124 HZ2 LYS 17 HZ2 LYS 17 -16.953 8.631 2.369 125 HZ3 LYS 17 HZ3 LYS 17 -16.538 8.622 0.722 126 H LYS 18 HN LYS 18 -17.423 14.779 1.279 127 HA LYS 18 HA LYS 18 -15.941 17.060 1.964 128 HB2 LYS 18 HB2 LYS 18 -15.727 16.061 4.218 129 HB3 LYS 18 HB1 LYS 18 -17.365 15.879 3.588 130 HG2 LYS 18 HG2 LYS 18 -16.649 13.597 2.739 131 HG3 LYS 18 HG1 LYS 18 -15.187 13.787 3.702 132 HD2 LYS 18 HD2 LYS 18 -16.718 14.247 5.691 133 HD3 LYS 18 HD1 LYS 18 -18.048 13.684 4.678 134 HE2 LYS 18 HE2 LYS 18 -17.301 11.778 5.924 135 HE3 LYS 18 HE1 LYS 18 -16.691 11.567 4.282 136 HZ1 LYS 18 HZ1 LYS 18 -15.245 11.843 6.709 137 HZ2 LYS 18 HZ2 LYS 18 -14.780 13.042 5.599 138 HZ3 LYS 18 HZ3 LYS 18 -14.683 11.401 5.171 139 H TYR 19 HN TYR 19 -13.769 16.936 3.223 140 HA TYR 19 HA TYR 19 -11.934 14.904 2.035 141 HB2 TYR 19 HB2 TYR 19 -10.433 16.637 1.241 142 HB3 TYR 19 HB1 TYR 19 -12.041 16.909 0.572 143 HD1 TYR 19 HD1 TYR 19 -13.627 18.497 1.910 144 HD2 TYR 19 HD2 TYR 19 -9.367 18.373 2.402 145 HE1 TYR 19 HE1 TYR 19 -13.684 20.748 2.940 146 HE2 TYR 19 HE2 TYR 19 -9.423 20.633 3.429 147 HH TYR 19 HH TYR 19 -12.428 22.498 3.601 148 H ILE 20 HN ILE 20 -9.829 14.882 3.091 149 HA ILE 20 HA ILE 20 -10.002 15.737 5.963 150 HB ILE 20 HB ILE 20 -8.394 13.518 4.668 151 HG12 ILE 20 HG12 ILE 20 -10.701 13.063 6.561 152 HG13 ILE 20 HG11 ILE 20 -11.050 13.384 4.867 153 HG21 ILE 20 HG21 ILE 20 -8.797 14.397 7.536 154 HG22 ILE 20 HG22 ILE 20 -7.279 14.280 6.645 155 HG23 ILE 20 HG23 ILE 20 -8.149 12.815 7.101 156 HD11 ILE 20 HD11 ILE 20 -9.048 11.278 5.685 157 HD12 ILE 20 HD12 ILE 20 -9.865 11.468 4.134 158 HD13 ILE 20 HD13 ILE 20 -10.769 10.919 5.546 159 H LEU 21 HN LEU 21 -8.273 16.899 6.844 160 HA LEU 21 HA LEU 21 -6.272 17.945 4.907 161 HB2 LEU 21 HB2 LEU 21 -6.920 18.757 7.760 162 HB3 LEU 21 HB1 LEU 21 -5.630 19.472 6.790 163 HG LEU 21 HG LEU 21 -7.744 20.813 6.804 164 HD11 LEU 21 HD11 LEU 21 -7.331 19.799 4.010 165 HD12 LEU 21 HD12 LEU 21 -6.016 20.623 4.835 166 HD13 LEU 21 HD13 LEU 21 -7.548 21.448 4.573 167 HD21 LEU 21 HD21 LEU 21 -9.742 20.031 5.844 168 HD22 LEU 21 HD22 LEU 21 -9.182 18.646 6.777 169 HD23 LEU 21 HD23 LEU 21 -8.943 18.689 5.028 170 H ARG 22 HN ARG 22 -4.440 16.794 4.762 171 HA ARG 22 HA ARG 22 -3.349 15.466 7.225 172 HB2 ARG 22 HB2 ARG 22 -3.996 14.023 5.188 173 HB3 ARG 22 HB1 ARG 22 -2.645 14.795 4.367 174 HG2 ARG 22 HG2 ARG 22 -1.676 12.844 5.239 175 HG3 ARG 22 HG1 ARG 22 -1.241 14.062 6.428 176 HD2 ARG 22 HD2 ARG 22 -3.020 13.331 7.912 177 HD3 ARG 22 HD1 ARG 22 -3.679 12.269 6.672 178 HE ARG 22 HE ARG 22 -1.076 11.373 7.020 179 HH11 ARG 22 HH21 ARG 22 -3.805 12.009 9.029 180 HH12 ARG 22 HH22 ARG 22 -3.413 10.775 10.179 181 HH21 ARG 22 HH11 ARG 22 -0.549 9.757 8.510 182 HH22 ARG 22 HH12 ARG 22 -1.569 9.501 9.886 183 H GLU 23 HN GLU 23 -1.244 16.037 7.822 184 HA GLU 23 HA GLU 23 0.610 17.493 7.916 185 HB2 GLU 23 HB2 GLU 23 0.455 16.916 4.939 186 HB3 GLU 23 HB1 GLU 23 1.798 17.768 5.700 187 HG2 GLU 23 HG2 GLU 23 0.889 15.043 6.643 188 HG3 GLU 23 HG1 GLU 23 2.094 15.240 5.371 189 H GLU 24 HN GLU 24 -2.074 18.591 7.691 190 HA GLU 24 HA GLU 24 -3.101 20.670 7.452 191 HB2 GLU 24 HB2 GLU 24 -0.386 21.799 6.740 192 HB3 GLU 24 HB1 GLU 24 -1.749 22.627 7.487 193 HG2 GLU 24 HG2 GLU 24 -0.045 20.455 8.741 194 HG3 GLU 24 HG1 GLU 24 -0.116 22.152 9.214 195 H SER 25 HN SER 25 -3.041 18.899 5.200 196 HA SER 25 HA SER 25 -3.370 20.909 3.068 197 HB2 SER 25 HB2 SER 25 -1.830 18.416 2.400 198 HB3 SER 25 HB1 SER 25 -1.878 19.950 1.538 199 HG SER 25 HG SER 25 -0.792 19.558 4.133 200 HA PRO 26 HA PRO 26 -6.954 18.301 2.359 201 HB2 PRO 26 HB2 PRO 26 -7.349 19.071 -0.358 202 HB3 PRO 26 HB1 PRO 26 -8.116 19.796 1.058 203 HG2 PRO 26 HG2 PRO 26 -5.952 20.874 -0.619 204 HG3 PRO 26 HG1 PRO 26 -6.952 21.711 0.573 205 HD2 PRO 26 HD2 PRO 26 -4.231 20.976 0.907 206 HD3 PRO 26 HD1 PRO 26 -5.332 21.539 2.181 207 H TYR 27 HN TYR 27 -6.905 16.176 1.908 208 HA TYR 27 HA TYR 27 -5.364 15.188 -0.474 209 HB2 TYR 27 HB2 TYR 27 -5.594 14.116 2.347 210 HB3 TYR 27 HB1 TYR 27 -5.360 12.990 1.026 211 HD1 TYR 27 HD2 TYR 27 -3.542 15.938 0.123 212 HD2 TYR 27 HD1 TYR 27 -3.441 12.578 2.790 213 HE1 TYR 27 HE2 TYR 27 -1.113 16.189 0.331 214 HE2 TYR 27 HE1 TYR 27 -0.989 12.844 3.011 215 HH TYR 27 HH TYR 27 0.834 14.839 0.929 216 H CYS 28 HN CYS 28 -6.549 13.742 -1.770 217 HA CYS 28 HA CYS 28 -9.410 13.825 -1.473 218 HB2 CYS 28 HB2 CYS 28 -9.464 12.163 -3.293 219 HB3 CYS 28 HB1 CYS 28 -8.355 13.464 -3.678 220 H VAL 29 HN VAL 29 -10.805 12.134 -0.748 221 HA VAL 29 HA VAL 29 -10.214 10.798 1.585 222 HB VAL 29 HB VAL 29 -11.903 9.537 -0.584 223 HG11 VAL 29 HG11 VAL 29 -12.185 9.690 2.424 224 HG12 VAL 29 HG12 VAL 29 -11.556 8.301 1.536 225 HG13 VAL 29 HG13 VAL 29 -13.235 8.799 1.322 226 HG21 VAL 29 HG21 VAL 29 -12.567 11.827 -0.601 227 HG22 VAL 29 HG22 VAL 29 -12.424 11.959 1.153 228 HG23 VAL 29 HG23 VAL 29 -13.731 11.011 0.442 229 H VAL 30 HN VAL 30 -9.985 9.395 -1.667 230 HA VAL 30 HA VAL 30 -8.974 6.880 -1.112 231 HB VAL 30 HB VAL 30 -7.852 8.612 -3.317 232 HG11 VAL 30 HG11 VAL 30 -6.954 6.314 -3.006 233 HG12 VAL 30 HG12 VAL 30 -7.821 6.492 -4.531 234 HG13 VAL 30 HG13 VAL 30 -8.590 5.677 -3.169 235 HG21 VAL 30 HG21 VAL 30 -10.581 7.336 -3.033 236 HG22 VAL 30 HG22 VAL 30 -9.891 7.754 -4.601 237 HG23 VAL 30 HG23 VAL 30 -10.206 9.017 -3.412 238 H CYS 31 HN CYS 31 -6.945 9.816 -1.645 239 HA CYS 31 HA CYS 31 -4.442 8.706 -1.177 240 HB2 CYS 31 HB2 CYS 31 -5.613 11.398 -0.680 241 HB3 CYS 31 HB1 CYS 31 -4.092 11.047 0.134 242 H PHE 32 HN PHE 32 -6.307 10.327 1.402 243 HA PHE 32 HA PHE 32 -4.825 9.501 3.599 244 HB2 PHE 32 HB2 PHE 32 -6.852 10.988 3.658 245 HB3 PHE 32 HB1 PHE 32 -7.857 9.546 3.513 246 HD1 PHE 32 HD1 PHE 32 -7.654 7.727 5.288 247 HD2 PHE 32 HD2 PHE 32 -5.960 11.649 5.755 248 HE1 PHE 32 HE1 PHE 32 -7.495 7.369 7.737 249 HE2 PHE 32 HE2 PHE 32 -5.801 11.289 8.202 250 HZ PHE 32 HZ PHE 32 -6.570 9.149 9.194 251 H GLU 33 HN GLU 33 -7.390 7.615 1.974 252 HA GLU 33 HA GLU 33 -7.180 5.384 3.777 253 HB2 GLU 33 HB2 GLU 33 -8.277 5.595 0.972 254 HB3 GLU 33 HB1 GLU 33 -8.496 4.205 2.033 255 HG2 GLU 33 HG2 GLU 33 -9.247 6.983 2.939 256 HG3 GLU 33 HG1 GLU 33 -10.358 6.000 1.999 257 H THR 34 HN THR 34 -6.277 5.506 0.310 258 HA THR 34 HA THR 34 -4.818 3.128 0.257 259 HB THR 34 HB THR 34 -5.447 4.842 -1.637 260 HG1 THR 34 HG1 THR 34 -3.284 3.066 -1.480 261 HG21 THR 34 HG21 THR 34 -3.671 6.216 -2.433 262 HG22 THR 34 HG22 THR 34 -2.523 5.517 -1.291 263 HG23 THR 34 HG23 THR 34 -3.817 6.562 -0.713 264 H LEU 35 HN LEU 35 -3.567 6.368 1.060 265 HA LEU 35 HA LEU 35 -0.849 5.698 1.318 266 HB2 LEU 35 HB2 LEU 35 -2.500 7.648 2.931 267 HB3 LEU 35 HB1 LEU 35 -0.744 7.572 2.980 268 HG LEU 35 HG LEU 35 -2.259 7.956 0.387 269 HD11 LEU 35 HD11 LEU 35 -1.160 10.079 2.242 270 HD12 LEU 35 HD12 LEU 35 -2.869 9.755 1.953 271 HD13 LEU 35 HD13 LEU 35 -1.853 10.363 0.646 272 HD21 LEU 35 HD21 LEU 35 -0.004 9.098 -0.159 273 HD22 LEU 35 HD22 LEU 35 0.005 7.343 -0.045 274 HD23 LEU 35 HD23 LEU 35 0.611 8.316 1.294 275 H PHE 36 HN PHE 36 -3.214 5.805 4.011 276 HA PHE 36 HA PHE 36 -1.325 4.187 5.646 277 HB2 PHE 36 HB2 PHE 36 -3.920 5.281 6.687 278 HB3 PHE 36 HB1 PHE 36 -2.375 5.091 7.510 279 HD1 PHE 36 HD2 PHE 36 -0.539 6.355 5.485 280 HD2 PHE 36 HD1 PHE 36 -4.380 7.587 6.967 281 HE1 PHE 36 HE2 PHE 36 0.015 8.709 4.961 282 HE2 PHE 36 HE1 PHE 36 -3.820 9.943 6.441 283 HZ PHE 36 HZ PHE 36 -1.624 10.503 5.435 284 H ALA 37 HN ALA 37 -3.883 3.486 3.617 285 HA ALA 37 HA ALA 37 -5.463 1.688 5.155 286 HB1 ALA 37 HB1 ALA 37 -4.816 1.903 2.229 287 HB2 ALA 37 HB2 ALA 37 -6.363 2.135 3.042 288 HB3 ALA 37 HB3 ALA 37 -5.724 0.509 2.813 289 H ASN 38 HN ASN 38 -5.400 -0.684 5.144 290 HA ASN 38 HA ASN 38 -2.656 -1.693 5.526 291 HB2 ASN 38 HB2 ASN 38 -5.417 -2.804 6.059 292 HB3 ASN 38 HB1 ASN 38 -3.971 -3.795 6.215 293 HD21 ASN 38 HD21 ASN 38 -2.185 -1.802 7.273 294 HD22 ASN 38 HD22 ASN 38 -2.731 -1.374 8.823 295 H THR 39 HN THR 39 -1.895 -3.623 4.413 296 HA THR 39 HA THR 39 -2.918 -3.782 1.634 297 HB THR 39 HB THR 39 -0.572 -5.324 2.759 298 HG1 THR 39 HG1 THR 39 -0.096 -3.262 3.312 299 HG21 THR 39 HG21 THR 39 0.177 -5.343 0.501 300 HG22 THR 39 HG22 THR 39 -0.958 -4.078 0.032 301 HG23 THR 39 HG23 THR 39 -1.549 -5.695 0.417 302 H CYS 40 HN CYS 40 -3.967 -5.561 0.813 303 HA CYS 40 HA CYS 40 -4.774 -7.680 2.724 304 HB2 CYS 40 HB2 CYS 40 -6.584 -6.921 1.394 305 HB3 CYS 40 HB1 CYS 40 -5.621 -6.917 -0.080 306 H GLU 41 HN GLU 41 -3.151 -9.069 3.003 307 HA GLU 41 HA GLU 41 -1.040 -9.780 1.395 308 HB2 GLU 41 HB2 GLU 41 -2.667 -11.699 3.082 309 HB3 GLU 41 HB1 GLU 41 -0.984 -11.905 2.599 310 HG2 GLU 41 HG2 GLU 41 -0.334 -9.913 3.848 311 HG3 GLU 41 HG1 GLU 41 -2.012 -9.568 4.244 312 H GLU 42 HN GLU 42 -4.366 -10.486 0.762 313 HA GLU 42 HA GLU 42 -3.710 -12.658 -1.143 314 HB2 GLU 42 HB2 GLU 42 -5.842 -12.482 0.378 315 HB3 GLU 42 HB1 GLU 42 -6.440 -11.398 -0.875 316 HG2 GLU 42 HG2 GLU 42 -5.439 -14.218 -1.361 317 HG3 GLU 42 HG1 GLU 42 -7.137 -13.752 -1.258 318 H CYS 43 HN CYS 43 -5.471 -9.529 -1.396 319 HA CYS 43 HA CYS 43 -5.128 -9.464 -4.285 320 HB2 CYS 43 HB2 CYS 43 -5.920 -7.231 -2.390 321 HB3 CYS 43 HB1 CYS 43 -6.137 -7.236 -4.140 322 H GLY 44 HN GLY 44 -3.631 -7.789 -1.531 323 HA2 GLY 44 HA2 GLY 44 -1.326 -7.103 -1.461 324 HA3 GLY 44 HA1 GLY 44 -1.255 -7.219 -3.222 325 H LYS 45 HN LYS 45 -4.095 -5.751 -2.787 326 HA LYS 45 HA LYS 45 -2.912 -3.060 -3.161 327 HB2 LYS 45 HB2 LYS 45 -5.578 -4.328 -3.752 328 HB3 LYS 45 HB1 LYS 45 -5.470 -2.573 -3.649 329 HG2 LYS 45 HG2 LYS 45 -5.155 -3.279 -5.969 330 HG3 LYS 45 HG1 LYS 45 -3.645 -2.616 -5.346 331 HD2 LYS 45 HD2 LYS 45 -2.716 -4.802 -5.017 332 HD3 LYS 45 HD1 LYS 45 -4.275 -5.575 -5.307 333 HE2 LYS 45 HE2 LYS 45 -2.658 -4.014 -7.344 334 HE3 LYS 45 HE1 LYS 45 -2.861 -5.765 -7.303 335 HZ1 LYS 45 HZ1 LYS 45 -5.383 -5.072 -7.296 336 HZ2 LYS 45 HZ2 LYS 45 -4.507 -5.219 -8.744 337 HZ3 LYS 45 HZ3 LYS 45 -4.773 -3.687 -8.060 338 HA PRO 46 HA PRO 46 -3.943 -1.705 0.919 339 HB2 PRO 46 HB2 PRO 46 -5.193 0.792 0.128 340 HB3 PRO 46 HB1 PRO 46 -3.571 0.549 0.788 341 HG2 PRO 46 HG2 PRO 46 -4.303 1.184 -1.940 342 HG3 PRO 46 HG1 PRO 46 -2.677 0.970 -1.274 343 HD2 PRO 46 HD2 PRO 46 -4.088 -0.817 -3.025 344 HD3 PRO 46 HD1 PRO 46 -2.490 -1.058 -2.292 345 H ILE 47 HN ILE 47 -5.748 -1.883 2.301 346 HA ILE 47 HA ILE 47 -8.358 -2.455 0.982 347 HB ILE 47 HB ILE 47 -7.602 -2.853 3.894 348 HG12 ILE 47 HG12 ILE 47 -7.451 -4.798 1.569 349 HG13 ILE 47 HG11 ILE 47 -6.070 -4.118 2.416 350 HG21 ILE 47 HG21 ILE 47 -9.500 -4.467 3.804 351 HG22 ILE 47 HG22 ILE 47 -9.780 -4.016 2.124 352 HG23 ILE 47 HG23 ILE 47 -10.017 -2.830 3.403 353 HD11 ILE 47 HD11 ILE 47 -7.943 -6.261 3.267 354 HD12 ILE 47 HD12 ILE 47 -7.420 -5.147 4.529 355 HD13 ILE 47 HD13 ILE 47 -6.227 -6.065 3.612 356 H GLY 48 HN GLY 48 -9.446 -0.549 0.689 357 HA2 GLY 48 HA2 GLY 48 -9.189 1.737 2.414 358 HA3 GLY 48 HA1 GLY 48 -10.447 1.515 1.199 359 H CYS 49 HN CYS 49 -10.836 2.611 3.841 360 HA CYS 49 HA CYS 49 -12.003 0.607 5.573 361 HB2 CYS 49 HB2 CYS 49 -12.105 3.619 5.450 362 HB3 CYS 49 HB1 CYS 49 -13.110 2.729 6.594 363 HG CYS 49 HG CYS 49 -10.958 1.781 7.708 364 H ASP 50 HN ASP 50 -13.089 2.316 2.769 365 HA ASP 50 HA ASP 50 -15.933 2.099 3.305 366 HB2 ASP 50 HB2 ASP 50 -15.036 3.734 1.684 367 HB3 ASP 50 HB1 ASP 50 -14.461 2.411 0.669 368 H CYS 51 HN CYS 51 -14.036 -0.336 3.402 369 HA CYS 51 HA CYS 51 -15.887 -2.166 1.961 370 HB2 CYS 51 HB2 CYS 51 -12.865 -2.369 1.756 371 HB3 CYS 51 HB1 CYS 51 -14.048 -3.423 0.981 372 HG CYS 51 HG CYS 51 -13.257 -0.616 0.022 373 H LYS 52 HN LYS 52 -15.744 -4.374 2.819 374 HA LYS 52 HA LYS 52 -15.490 -4.427 5.670 375 HB2 LYS 52 HB2 LYS 52 -15.784 -6.895 5.416 376 HB3 LYS 52 HB1 LYS 52 -16.992 -5.963 4.539 377 HG2 LYS 52 HG2 LYS 52 -15.247 -6.185 2.536 378 HG3 LYS 52 HG1 LYS 52 -14.689 -7.571 3.464 379 HD2 LYS 52 HD2 LYS 52 -16.305 -8.567 2.109 380 HD3 LYS 52 HD1 LYS 52 -17.251 -8.201 3.549 381 HE2 LYS 52 HE2 LYS 52 -18.114 -6.164 2.514 382 HE3 LYS 52 HE1 LYS 52 -17.076 -6.402 1.110 383 HZ1 LYS 52 HZ1 LYS 52 -19.379 -7.162 0.768 384 HZ2 LYS 52 HZ2 LYS 52 -19.163 -8.316 1.996 385 HZ3 LYS 52 HZ3 LYS 52 -18.240 -8.403 0.573 386 H ASP 53 HN ASP 53 -13.499 -4.066 6.560 387 HA ASP 53 HA ASP 53 -11.098 -5.359 5.372 388 HB2 ASP 53 HB2 ASP 53 -9.851 -3.961 6.992 389 HB3 ASP 53 HB1 ASP 53 -10.932 -2.982 6.000 390 H LEU 54 HN LEU 54 -11.048 -7.496 6.023 391 HA LEU 54 HA LEU 54 -11.916 -8.297 8.666 392 HB2 LEU 54 HB2 LEU 54 -11.705 -9.595 6.296 393 HB3 LEU 54 HB1 LEU 54 -10.184 -10.096 6.999 394 HG LEU 54 HG LEU 54 -12.938 -11.004 7.594 395 HD11 LEU 54 HD11 LEU 54 -10.170 -12.113 8.074 396 HD12 LEU 54 HD12 LEU 54 -11.335 -12.579 6.837 397 HD13 LEU 54 HD13 LEU 54 -11.644 -12.966 8.525 398 HD21 LEU 54 HD21 LEU 54 -12.233 -11.542 10.063 399 HD22 LEU 54 HD22 LEU 54 -12.940 -9.977 9.703 400 HD23 LEU 54 HD23 LEU 54 -11.194 -10.135 9.892 401 H SER 55 HN SER 55 -10.641 -8.323 10.499 402 HA SER 55 HA SER 55 -7.666 -8.033 10.158 403 HB2 SER 55 HB2 SER 55 -7.789 -7.036 12.489 404 HB3 SER 55 HB1 SER 55 -8.539 -6.067 11.225 405 HG SER 55 HG SER 55 -9.803 -7.809 13.077 406 H TYR 56 HN TYR 56 -6.527 -9.795 10.816 407 HA TYR 56 HA TYR 56 -7.397 -11.318 13.184 408 HB2 TYR 56 HB2 TYR 56 -8.421 -12.231 10.856 409 HB3 TYR 56 HB1 TYR 56 -6.852 -13.021 10.770 410 HD1 TYR 56 HD1 TYR 56 -6.087 -14.415 12.759 411 HD2 TYR 56 HD2 TYR 56 -10.132 -13.076 12.287 412 HE1 TYR 56 HE1 TYR 56 -6.838 -16.135 14.377 413 HE2 TYR 56 HE2 TYR 56 -10.885 -14.790 13.908 414 HH TYR 56 HH TYR 56 -9.986 -16.127 15.727 415 H LYS 57 HN LYS 57 -5.638 -12.347 14.182 416 HA LYS 57 HA LYS 57 -3.367 -12.578 14.723 417 HB2 LYS 57 HB2 LYS 57 -3.784 -14.320 12.896 418 HB3 LYS 57 HB1 LYS 57 -3.039 -13.183 11.780 419 HG2 LYS 57 HG2 LYS 57 -0.958 -13.235 13.015 420 HG3 LYS 57 HG1 LYS 57 -1.701 -14.159 14.319 421 HD2 LYS 57 HD2 LYS 57 -1.966 -16.088 12.918 422 HD3 LYS 57 HD1 LYS 57 -1.535 -15.173 11.473 423 HE2 LYS 57 HE2 LYS 57 0.731 -14.774 12.473 424 HE3 LYS 57 HE1 LYS 57 0.286 -15.847 13.799 425 HZ1 LYS 57 HZ1 LYS 57 0.697 -17.612 12.547 426 HZ2 LYS 57 HZ2 LYS 57 1.349 -16.575 11.369 427 HZ3 LYS 57 HZ3 LYS 57 -0.283 -17.039 11.287 428 H ASP 58 HN ASP 58 -4.029 -9.931 14.354 429 HA ASP 58 HA ASP 58 -3.105 -7.828 13.891 430 HB2 ASP 58 HB2 ASP 58 -1.244 -8.879 15.195 431 HB3 ASP 58 HB1 ASP 58 -0.528 -9.407 13.672 432 H ARG 59 HN ARG 59 -3.654 -9.925 11.581 433 HA ARG 59 HA ARG 59 -2.178 -8.455 9.425 434 HB2 ARG 59 HB2 ARG 59 -3.417 -11.213 9.518 435 HB3 ARG 59 HB1 ARG 59 -2.885 -10.454 8.022 436 HG2 ARG 59 HG2 ARG 59 -0.624 -10.325 8.806 437 HG3 ARG 59 HG1 ARG 59 -1.092 -10.790 10.429 438 HD2 ARG 59 HD2 ARG 59 -1.750 -12.979 9.667 439 HD3 ARG 59 HD1 ARG 59 -1.463 -12.537 7.990 440 HE ARG 59 HE ARG 59 0.485 -13.462 9.923 441 HH11 ARG 59 HH21 ARG 59 0.096 -11.200 7.350 442 HH12 ARG 59 HH22 ARG 59 1.799 -11.005 7.104 443 HH21 ARG 59 HH11 ARG 59 2.689 -13.222 9.611 444 HH22 ARG 59 HH12 ARG 59 3.263 -12.145 8.381 445 H HIS 60 HN HIS 60 -3.505 -8.197 7.387 446 HA HIS 60 HA HIS 60 -6.380 -7.604 8.054 447 HB2 HIS 60 HB2 HIS 60 -4.523 -6.121 6.162 448 HB3 HIS 60 HB1 HIS 60 -6.228 -5.756 6.418 449 HD2 HIS 60 HD2 HIS 60 -6.832 -4.639 9.006 450 HE1 HIS 60 HE1 HIS 60 -2.802 -3.968 10.071 451 HE2 HIS 60 HE2 HIS 60 -5.215 -3.493 10.706 452 H TRP 61 HN TRP 61 -7.911 -8.106 6.453 453 HA TRP 61 HA TRP 61 -7.056 -9.297 3.899 454 HB2 TRP 61 HB2 TRP 61 -7.951 -10.900 6.263 455 HB3 TRP 61 HB1 TRP 61 -8.655 -11.359 4.719 456 HD1 TRP 61 HD1 TRP 61 -6.524 -11.423 2.690 457 HE1 TRP 61 HE1 TRP 61 -4.388 -12.857 2.909 458 HE3 TRP 61 HE3 TRP 61 -6.367 -12.011 7.759 459 HZ2 TRP 61 HZ2 TRP 61 -2.816 -14.076 4.963 460 HZ3 TRP 61 HZ3 TRP 61 -4.538 -13.299 8.821 461 HH2 TRP 61 HH2 TRP 61 -2.770 -14.344 7.429 462 H HIS 62 HN HIS 62 -8.836 -9.395 2.416 463 HA HIS 62 HA HIS 62 -11.138 -7.730 3.115 464 HB2 HIS 62 HB2 HIS 62 -10.478 -9.457 0.711 465 HB3 HIS 62 HB1 HIS 62 -12.016 -8.631 0.866 466 HD2 HIS 62 HD2 HIS 62 -11.518 -5.667 1.351 467 HE1 HIS 62 HE1 HIS 62 -8.120 -5.782 -1.150 468 HE2 HIS 62 HE2 HIS 62 -9.806 -4.256 -0.024 469 H GLU 63 HN GLU 63 -13.022 -8.570 4.062 470 HA GLU 63 HA GLU 63 -13.203 -11.050 5.266 471 HB2 GLU 63 HB2 GLU 63 -14.864 -9.034 5.278 472 HB3 GLU 63 HB1 GLU 63 -15.667 -9.892 3.964 473 HG2 GLU 63 HG2 GLU 63 -15.820 -11.905 5.429 474 HG3 GLU 63 HG1 GLU 63 -15.113 -10.969 6.747 475 H ALA 64 HN ALA 64 -13.527 -10.397 1.856 476 HA ALA 64 HA ALA 64 -14.662 -13.075 1.298 477 HB1 ALA 64 HB1 ALA 64 -15.442 -11.112 0.009 478 HB2 ALA 64 HB2 ALA 64 -14.708 -12.330 -1.034 479 HB3 ALA 64 HB3 ALA 64 -13.805 -10.877 -0.604 480 H CYS 65 HN CYS 65 -11.528 -11.543 1.382 481 HA CYS 65 HA CYS 65 -10.279 -13.461 -0.449 482 HB2 CYS 65 HB2 CYS 65 -9.236 -11.295 1.358 483 HB3 CYS 65 HB1 CYS 65 -8.141 -12.415 0.553 484 H PHE 66 HN PHE 66 -10.736 -13.199 3.018 485 HA PHE 66 HA PHE 66 -8.793 -15.230 3.707 486 HB2 PHE 66 HB2 PHE 66 -10.028 -13.385 5.142 487 HB3 PHE 66 HB1 PHE 66 -11.230 -14.645 5.375 488 HD1 PHE 66 HD2 PHE 66 -9.972 -17.082 5.806 489 HD2 PHE 66 HD1 PHE 66 -8.490 -13.207 6.873 490 HE1 PHE 66 HE2 PHE 66 -8.567 -18.114 7.551 491 HE2 PHE 66 HE1 PHE 66 -7.068 -14.237 8.629 492 HZ PHE 66 HZ PHE 66 -7.106 -16.696 8.965 493 H HIS 67 HN HIS 67 -9.104 -17.182 2.638 494 HA HIS 67 HA HIS 67 -11.543 -18.682 3.325 495 HB2 HIS 67 HB2 HIS 67 -11.862 -19.311 0.877 496 HB3 HIS 67 HB1 HIS 67 -12.295 -17.654 1.291 497 HD2 HIS 67 HD2 HIS 67 -11.471 -17.718 -1.735 498 HE1 HIS 67 HE1 HIS 67 -7.518 -16.786 -0.581 499 HE2 HIS 67 HE2 HIS 67 -9.142 -16.847 -2.533 500 H CYS 68 HN CYS 68 -11.386 -20.996 2.392 501 HA CYS 68 HA CYS 68 -8.751 -22.055 3.078 502 HB2 CYS 68 HB2 CYS 68 -10.633 -23.379 3.761 503 HB3 CYS 68 HB1 CYS 68 -11.334 -23.337 2.147 504 H SER 69 HN SER 69 -7.275 -23.016 1.629 505 HA SER 69 HA SER 69 -7.309 -21.991 -1.067 506 HB2 SER 69 HB2 SER 69 -5.281 -22.637 0.413 507 HB3 SER 69 HB1 SER 69 -5.576 -24.280 -0.139 508 HG SER 69 HG SER 69 -5.629 -22.389 -2.130 509 H GLN 70 HN GLN 70 -8.480 -24.951 0.377 510 HA GLN 70 HA GLN 70 -8.731 -26.254 -2.293 511 HB2 GLN 70 HB2 GLN 70 -9.455 -27.402 0.409 512 HB3 GLN 70 HB1 GLN 70 -9.189 -28.280 -1.096 513 HG2 GLN 70 HG2 GLN 70 -7.020 -26.597 0.156 514 HG3 GLN 70 HG1 GLN 70 -7.255 -28.277 0.610 515 HE21 GLN 70 HE21 GLN 70 -5.465 -26.370 -1.407 516 HE22 GLN 70 HE22 GLN 70 -5.165 -27.474 -2.654 517 H CYS 71 HN CYS 71 -10.795 -25.472 0.510 518 HA CYS 71 HA CYS 71 -13.212 -26.042 -1.120 519 HB2 CYS 71 HB2 CYS 71 -13.284 -25.004 1.704 520 HB3 CYS 71 HB1 CYS 71 -14.393 -26.108 0.890 521 H ARG 72 HN ARG 72 -11.267 -23.420 -0.774 522 HA ARG 72 HA ARG 72 -11.586 -21.102 -0.820 523 HB2 ARG 72 HB2 ARG 72 -12.865 -20.357 -2.728 524 HB3 ARG 72 HB1 ARG 72 -11.992 -21.821 -3.160 525 HG2 ARG 72 HG2 ARG 72 -14.005 -23.162 -2.914 526 HG3 ARG 72 HG1 ARG 72 -14.901 -21.776 -2.296 527 HD2 ARG 72 HD2 ARG 72 -13.875 -20.870 -4.747 528 HD3 ARG 72 HD1 ARG 72 -14.332 -22.535 -5.078 529 HE ARG 72 HE ARG 72 -16.137 -20.392 -4.930 530 HH11 ARG 72 HH21 ARG 72 -15.693 -23.429 -3.345 531 HH12 ARG 72 HH22 ARG 72 -17.362 -23.593 -2.923 532 HH21 ARG 72 HH11 ARG 72 -18.307 -20.602 -4.393 533 HH22 ARG 72 HH12 ARG 72 -18.841 -21.999 -3.518 534 H ASN 73 HN ASN 73 -13.421 -22.691 1.082 535 HA ASN 73 HA ASN 73 -15.876 -21.171 1.251 536 HB2 ASN 73 HB2 ASN 73 -14.300 -22.861 3.193 537 HB3 ASN 73 HB1 ASN 73 -15.693 -21.936 3.748 538 HD21 ASN 73 HD21 ASN 73 -17.808 -22.441 2.733 539 HD22 ASN 73 HD22 ASN 73 -18.069 -23.970 2.049 540 H SER 74 HN SER 74 -16.264 -19.340 2.676 541 HA SER 74 HA SER 74 -13.866 -17.659 3.003 542 HB2 SER 74 HB2 SER 74 -16.714 -17.049 3.834 543 HB3 SER 74 HB1 SER 74 -15.407 -15.895 3.589 544 HG SER 74 HG SER 74 -15.721 -17.458 1.418 545 H LEU 75 HN LEU 75 -12.646 -18.541 4.726 546 HA LEU 75 HA LEU 75 -13.975 -19.259 7.237 547 HB2 LEU 75 HB2 LEU 75 -11.012 -18.860 6.835 548 HB3 LEU 75 HB1 LEU 75 -11.815 -19.862 8.031 549 HG LEU 75 HG LEU 75 -12.195 -20.424 5.085 550 HD11 LEU 75 HD11 LEU 75 -10.253 -22.188 5.695 551 HD12 LEU 75 HD12 LEU 75 -9.726 -20.842 6.695 552 HD13 LEU 75 HD13 LEU 75 -9.926 -20.622 4.962 553 HD21 LEU 75 HD21 LEU 75 -13.611 -21.557 6.743 554 HD22 LEU 75 HD22 LEU 75 -12.169 -22.137 7.578 555 HD23 LEU 75 HD23 LEU 75 -12.531 -22.701 5.947 556 H VAL 76 HN VAL 76 -14.646 -17.643 8.552 557 HA VAL 76 HA VAL 76 -12.791 -15.385 9.096 558 HB VAL 76 HB VAL 76 -15.719 -15.133 8.325 559 HG11 VAL 76 HG11 VAL 76 -15.248 -12.652 8.781 560 HG12 VAL 76 HG12 VAL 76 -13.839 -13.202 9.688 561 HG13 VAL 76 HG13 VAL 76 -15.456 -13.687 10.194 562 HG21 VAL 76 HG21 VAL 76 -13.099 -14.155 7.162 563 HG22 VAL 76 HG22 VAL 76 -14.635 -13.406 6.746 564 HG23 VAL 76 HG23 VAL 76 -14.356 -15.104 6.372 565 H ASP 77 HN ASP 77 -12.627 -15.136 11.295 566 HA ASP 77 HA ASP 77 -13.017 -15.618 13.563 567 HB2 ASP 77 HB2 ASP 77 -14.848 -14.031 13.277 568 HB3 ASP 77 HB1 ASP 77 -15.874 -15.288 12.588 569 H LYS 78 HN LYS 78 -13.284 -17.744 11.269 570 HA LYS 78 HA LYS 78 -14.570 -19.905 12.891 571 HB2 LYS 78 HB2 LYS 78 -14.301 -19.360 9.953 572 HB3 LYS 78 HB1 LYS 78 -14.286 -21.048 10.452 573 HG2 LYS 78 HG2 LYS 78 -16.451 -20.870 11.450 574 HG3 LYS 78 HG1 LYS 78 -16.425 -19.109 11.361 575 HD2 LYS 78 HD2 LYS 78 -17.842 -19.984 9.574 576 HD3 LYS 78 HD1 LYS 78 -16.390 -19.269 8.872 577 HE2 LYS 78 HE2 LYS 78 -15.423 -21.383 8.428 578 HE3 LYS 78 HE1 LYS 78 -16.524 -22.214 9.527 579 HZ1 LYS 78 HZ1 LYS 78 -18.046 -22.407 7.939 580 HZ2 LYS 78 HZ2 LYS 78 -16.842 -21.941 6.834 581 HZ3 LYS 78 HZ3 LYS 78 -17.905 -20.781 7.476 582 HA PRO 79 HA PRO 79 -10.556 -21.642 13.520 583 HB2 PRO 79 HB2 PRO 79 -11.145 -24.379 12.934 584 HB3 PRO 79 HB1 PRO 79 -11.169 -23.606 14.523 585 HG2 PRO 79 HG2 PRO 79 -13.444 -24.413 12.844 586 HG3 PRO 79 HG1 PRO 79 -13.443 -23.931 14.547 587 HD2 PRO 79 HD2 PRO 79 -14.401 -22.372 12.370 588 HD3 PRO 79 HD1 PRO 79 -14.110 -21.806 14.027 589 H PHE 80 HN PHE 80 -8.755 -21.842 12.208 590 HA PHE 80 HA PHE 80 -8.956 -23.175 9.584 591 HB2 PHE 80 HB2 PHE 80 -7.997 -21.249 8.350 592 HB3 PHE 80 HB1 PHE 80 -9.601 -20.883 9.000 593 HD1 PHE 80 HD1 PHE 80 -5.931 -20.472 9.666 594 HD2 PHE 80 HD2 PHE 80 -9.900 -19.058 10.472 595 HE1 PHE 80 HE1 PHE 80 -4.999 -18.524 10.881 596 HE2 PHE 80 HE2 PHE 80 -8.968 -17.115 11.691 597 HZ PHE 80 HZ PHE 80 -6.510 -16.846 11.894 598 H ALA 81 HN ALA 81 -6.893 -23.750 8.750 599 HA ALA 81 HA ALA 81 -4.733 -23.691 10.797 600 HB1 ALA 81 HB1 ALA 81 -4.607 -25.141 8.150 601 HB2 ALA 81 HB2 ALA 81 -5.500 -25.822 9.511 602 HB3 ALA 81 HB3 ALA 81 -3.770 -25.516 9.657 603 H ALA 82 HN ALA 82 -3.368 -22.002 10.621 604 HA ALA 82 HA ALA 82 -3.152 -20.476 8.142 605 HB1 ALA 82 HB1 ALA 82 -1.956 -18.904 9.402 606 HB2 ALA 82 HB2 ALA 82 -1.296 -20.125 10.492 607 HB3 ALA 82 HB3 ALA 82 -2.984 -19.645 10.627 608 H LYS 83 HN LYS 83 -2.050 -21.483 6.525 609 HA LYS 83 HA LYS 83 0.412 -23.017 7.126 610 HB2 LYS 83 HB2 LYS 83 -1.065 -24.061 5.533 611 HB3 LYS 83 HB1 LYS 83 -1.178 -22.587 4.583 612 HG2 LYS 83 HG2 LYS 83 1.014 -22.781 3.763 613 HG3 LYS 83 HG1 LYS 83 1.499 -23.885 5.051 614 HD2 LYS 83 HD2 LYS 83 0.112 -25.654 4.121 615 HD3 LYS 83 HD1 LYS 83 -0.532 -24.554 2.902 616 HE2 LYS 83 HE2 LYS 83 2.390 -25.326 3.170 617 HE3 LYS 83 HE1 LYS 83 1.271 -26.001 1.985 618 HZ1 LYS 83 HZ1 LYS 83 1.931 -24.319 0.704 619 HZ2 LYS 83 HZ2 LYS 83 2.614 -23.460 2.001 620 HZ3 LYS 83 HZ3 LYS 83 0.951 -23.335 1.678 621 H GLU 84 HN GLU 84 2.377 -22.490 5.839 622 HA GLU 84 HA GLU 84 3.484 -20.066 6.299 623 HB2 GLU 84 HB2 GLU 84 3.832 -21.828 3.873 624 HB3 GLU 84 HB1 GLU 84 4.839 -20.410 4.154 625 HG2 GLU 84 HG2 GLU 84 5.688 -21.301 6.206 626 HG3 GLU 84 HG1 GLU 84 4.476 -22.583 6.227 627 H ASP 85 HN ASP 85 1.900 -20.684 3.110 628 HA ASP 85 HA ASP 85 1.368 -17.726 2.961 629 HB2 ASP 85 HB2 ASP 85 2.438 -19.686 0.951 630 HB3 ASP 85 HB1 ASP 85 1.475 -18.330 0.376 631 H GLN 86 HN GLN 86 -0.157 -20.632 3.380 632 HA GLN 86 HA GLN 86 -2.593 -19.689 1.882 633 HB2 GLN 86 HB2 GLN 86 -1.884 -22.582 2.370 634 HB3 GLN 86 HB1 GLN 86 -3.130 -21.936 1.309 635 HG2 GLN 86 HG2 GLN 86 -0.184 -21.364 0.903 636 HG3 GLN 86 HG1 GLN 86 -1.013 -22.723 0.166 637 HE21 GLN 86 HE21 GLN 86 -1.732 -22.270 -1.905 638 HE22 GLN 86 HE22 GLN 86 -2.227 -20.743 -2.458 639 H LEU 87 HN LEU 87 -4.597 -20.757 2.697 640 HA LEU 87 HA LEU 87 -4.572 -21.234 5.639 641 HB2 LEU 87 HB2 LEU 87 -6.367 -19.402 4.021 642 HB3 LEU 87 HB1 LEU 87 -6.930 -20.107 5.535 643 HG LEU 87 HG LEU 87 -4.243 -18.755 5.492 644 HD11 LEU 87 HD11 LEU 87 -6.923 -17.386 5.404 645 HD12 LEU 87 HD12 LEU 87 -5.448 -16.985 4.528 646 HD13 LEU 87 HD13 LEU 87 -5.565 -16.648 6.254 647 HD21 LEU 87 HD21 LEU 87 -6.325 -18.630 7.654 648 HD22 LEU 87 HD22 LEU 87 -4.573 -18.548 7.793 649 HD23 LEU 87 HD23 LEU 87 -5.358 -20.085 7.448 650 H LEU 88 HN LEU 88 -5.725 -23.048 6.184 651 HA LEU 88 HA LEU 88 -7.475 -24.300 4.089 652 HB2 LEU 88 HB2 LEU 88 -5.266 -25.561 5.735 653 HB3 LEU 88 HB1 LEU 88 -6.470 -26.501 4.860 654 HG LEU 88 HG LEU 88 -4.955 -24.375 3.359 655 HD11 LEU 88 HD11 LEU 88 -3.229 -26.116 2.791 656 HD12 LEU 88 HD12 LEU 88 -3.860 -27.088 4.121 657 HD13 LEU 88 HD13 LEU 88 -3.137 -25.512 4.445 658 HD21 LEU 88 HD21 LEU 88 -6.777 -25.578 2.249 659 HD22 LEU 88 HD22 LEU 88 -6.015 -27.120 2.641 660 HD23 LEU 88 HD23 LEU 88 -5.229 -26.007 1.522 661 H CYS 89 HN CYS 89 -8.867 -26.060 5.100 662 HA CYS 89 HA CYS 89 -9.988 -25.041 7.630 663 HB2 CYS 89 HB2 CYS 89 -10.893 -27.515 6.137 664 HB3 CYS 89 HB1 CYS 89 -11.828 -26.497 7.226 665 H THR 90 HN THR 90 -9.784 -26.135 9.603 666 HA THR 90 HA THR 90 -7.557 -27.742 10.114 667 HB THR 90 HB THR 90 -8.605 -26.999 12.065 668 HG1 THR 90 HG1 THR 90 -8.150 -29.177 12.350 669 HG21 THR 90 HG21 THR 90 -10.693 -26.259 11.200 670 HG22 THR 90 HG22 THR 90 -11.098 -27.441 12.445 671 HG23 THR 90 HG23 THR 90 -11.167 -27.895 10.742 672 H ASP 91 HN ASP 91 -10.358 -28.568 8.391 673 HA ASP 91 HA ASP 91 -10.131 -31.474 8.833 674 HB2 ASP 91 HB2 ASP 91 -11.853 -29.737 7.069 675 HB3 ASP 91 HB1 ASP 91 -11.843 -31.492 6.908 676 H CYS 92 HN CYS 92 -9.576 -29.150 6.175 677 HA CYS 92 HA CYS 92 -8.362 -31.161 4.459 678 HB2 CYS 92 HB2 CYS 92 -7.848 -28.211 4.124 679 HB3 CYS 92 HB1 CYS 92 -8.108 -29.442 2.889 680 H TYR 93 HN TYR 93 -7.191 -28.660 6.681 681 HA TYR 93 HA TYR 93 -4.419 -28.872 6.097 682 HB2 TYR 93 HB2 TYR 93 -5.568 -27.173 7.595 683 HB3 TYR 93 HB1 TYR 93 -5.606 -28.416 8.840 684 HD1 TYR 93 HD2 TYR 93 -3.233 -26.690 6.497 685 HD2 TYR 93 HD1 TYR 93 -3.752 -28.742 10.235 686 HE1 TYR 93 HE2 TYR 93 -0.877 -26.197 7.098 687 HE2 TYR 93 HE1 TYR 93 -1.399 -28.258 10.832 688 HH TYR 93 HH TYR 93 0.486 -27.267 10.219 689 H SER 94 HN SER 94 -6.388 -30.574 8.513 690 HA SER 94 HA SER 94 -4.272 -32.217 9.519 691 HB2 SER 94 HB2 SER 94 -6.180 -32.170 10.887 692 HB3 SER 94 HB1 SER 94 -7.277 -32.417 9.531 693 HG SER 94 HG SER 94 -6.556 -34.540 9.391 694 H ASN 95 HN ASN 95 -6.030 -32.303 6.566 695 HA ASN 95 HA ASN 95 -5.733 -35.150 6.054 696 HB2 ASN 95 HB2 ASN 95 -7.414 -33.550 4.958 697 HB3 ASN 95 HB1 ASN 95 -6.068 -32.990 3.965 698 HD21 ASN 95 HD21 ASN 95 -5.859 -34.108 2.027 699 HD22 ASN 95 HD22 ASN 95 -6.362 -35.707 1.761 700 H GLU 96 HN GLU 96 -3.832 -32.250 5.394 701 HA GLU 96 HA GLU 96 -1.781 -33.914 3.976 702 HB2 GLU 96 HB2 GLU 96 -0.830 -31.535 3.491 703 HB3 GLU 96 HB1 GLU 96 -2.281 -32.047 2.630 704 HG2 GLU 96 HG2 GLU 96 -3.706 -30.786 4.066 705 HG3 GLU 96 HG1 GLU 96 -2.413 -30.521 5.236 706 H TYR 97 HN TYR 97 -2.297 -31.770 6.726 707 HA TYR 97 HA TYR 97 0.449 -31.627 7.563 708 HB2 TYR 97 HB2 TYR 97 -1.240 -30.053 8.390 709 HB3 TYR 97 HB1 TYR 97 -2.115 -31.372 9.164 710 HD1 TYR 97 HD2 TYR 97 1.146 -29.565 9.132 711 HD2 TYR 97 HD1 TYR 97 -1.487 -32.164 11.314 712 HE1 TYR 97 HE2 TYR 97 2.587 -29.340 11.138 713 HE2 TYR 97 HE1 TYR 97 -0.046 -31.940 13.321 714 HH TYR 97 HH TYR 97 2.915 -29.947 13.241 715 H SER 98 HN SER 98 -2.084 -33.999 7.980 716 HA SER 98 HA SER 98 -1.234 -35.442 10.212 717 HB2 SER 98 HB2 SER 98 -2.048 -37.494 8.914 718 HB3 SER 98 HB1 SER 98 -3.206 -36.179 9.092 719 HG SER 98 HG SER 98 -2.940 -37.076 6.917 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -13.334 29.658 -2.325 2 H2 MET 1 HT2 MET 1 -14.696 30.342 -3.076 3 H3 MET 1 HT3 MET 1 -13.486 31.343 -2.429 4 HA MET 1 HA MET 1 -12.789 29.406 -4.529 5 HB2 MET 1 HB2 MET 1 -13.275 31.172 -6.213 6 HB3 MET 1 HB1 MET 1 -14.740 30.601 -5.413 7 HG2 MET 1 HG2 MET 1 -14.480 32.539 -3.792 8 HG3 MET 1 HG1 MET 1 -13.217 33.158 -4.857 9 HE1 MET 1 HE1 MET 1 -13.675 33.247 -7.565 10 HE2 MET 1 HE2 MET 1 -13.585 34.714 -6.593 11 HE3 MET 1 HE3 MET 1 -14.825 34.564 -7.835 12 H THR 2 HN THR 2 -11.892 31.451 -2.141 13 HA THR 2 HA THR 2 -9.815 32.952 -3.545 14 HB THR 2 HB THR 2 -10.876 33.866 -1.518 15 HG1 THR 2 HG1 THR 2 -9.045 34.724 -0.925 16 HG21 THR 2 HG21 THR 2 -11.032 31.467 -0.491 17 HG22 THR 2 HG22 THR 2 -10.757 32.839 0.584 18 HG23 THR 2 HG23 THR 2 -9.408 31.808 0.111 19 H GLU 3 HN GLU 3 -9.815 30.268 -1.188 20 HA GLU 3 HA GLU 3 -6.960 29.765 -1.673 21 HB2 GLU 3 HB2 GLU 3 -7.184 28.069 0.026 22 HB3 GLU 3 HB1 GLU 3 -8.082 29.479 0.576 23 HG2 GLU 3 HG2 GLU 3 -10.139 28.362 -0.531 24 HG3 GLU 3 HG1 GLU 3 -9.161 26.894 -0.557 25 H ARG 4 HN ARG 4 -6.484 27.267 -1.949 26 HA ARG 4 HA ARG 4 -7.800 26.492 -4.488 27 HB2 ARG 4 HB2 ARG 4 -5.310 25.491 -3.084 28 HB3 ARG 4 HB1 ARG 4 -5.870 24.935 -4.656 29 HG2 ARG 4 HG2 ARG 4 -5.439 27.883 -4.137 30 HG3 ARG 4 HG1 ARG 4 -4.080 26.847 -4.565 31 HD2 ARG 4 HD2 ARG 4 -5.471 26.091 -6.588 32 HD3 ARG 4 HD1 ARG 4 -6.555 27.428 -6.208 33 HE ARG 4 HE ARG 4 -4.059 28.617 -6.302 34 HH11 ARG 4 HH21 ARG 4 -5.937 26.575 -8.350 35 HH12 ARG 4 HH22 ARG 4 -5.287 27.225 -9.818 36 HH21 ARG 4 HH11 ARG 4 -3.200 29.478 -8.208 37 HH22 ARG 4 HH12 ARG 4 -3.738 28.870 -9.738 38 H PHE 5 HN PHE 5 -8.835 24.525 -4.744 39 HA PHE 5 HA PHE 5 -9.317 22.916 -2.258 40 HB2 PHE 5 HB2 PHE 5 -11.197 24.404 -3.363 41 HB3 PHE 5 HB1 PHE 5 -11.290 23.095 -4.532 42 HD1 PHE 5 HD1 PHE 5 -11.268 23.777 -0.866 43 HD2 PHE 5 HD2 PHE 5 -12.558 21.177 -4.022 44 HE1 PHE 5 HE1 PHE 5 -12.615 22.486 0.756 45 HE2 PHE 5 HE2 PHE 5 -13.914 19.877 -2.396 46 HZ PHE 5 HZ PHE 5 -13.940 20.524 -0.012 47 H ASP 6 HN ASP 6 -7.265 21.909 -3.333 48 HA ASP 6 HA ASP 6 -8.201 19.661 -5.067 49 HB2 ASP 6 HB2 ASP 6 -5.784 19.820 -6.076 50 HB3 ASP 6 HB1 ASP 6 -7.041 20.901 -6.677 51 H CYS 7 HN CYS 7 -7.097 17.705 -4.741 52 HA CYS 7 HA CYS 7 -6.271 17.193 -2.074 53 HB2 CYS 7 HB2 CYS 7 -7.089 15.380 -3.348 54 HB3 CYS 7 HB1 CYS 7 -5.968 15.682 -4.657 55 H HIS 8 HN HIS 8 -4.514 18.347 -1.338 56 HA HIS 8 HA HIS 8 -2.345 19.358 -2.717 57 HB2 HIS 8 HB2 HIS 8 -2.896 19.626 -0.274 58 HB3 HIS 8 HB1 HIS 8 -2.107 18.098 0.016 59 HD2 HIS 8 HD2 HIS 8 -0.940 21.385 -1.936 60 HE1 HIS 8 HE1 HIS 8 2.277 19.894 0.357 61 HE2 HIS 8 HE2 HIS 8 1.555 21.728 -1.245 62 H HIS 9 HN HIS 9 -2.973 15.996 -2.110 63 HA HIS 9 HA HIS 9 -0.147 15.265 -2.625 64 HB2 HIS 9 HB2 HIS 9 -1.289 13.989 -0.916 65 HB3 HIS 9 HB1 HIS 9 -2.587 13.576 -2.024 66 HD2 HIS 9 HD2 HIS 9 -1.246 10.912 -1.079 67 HE1 HIS 9 HE1 HIS 9 1.359 11.126 -4.396 68 HE2 HIS 9 HE2 HIS 9 0.428 9.599 -2.593 69 H CYS 10 HN CYS 10 -3.260 14.139 -4.083 70 HA CYS 10 HA CYS 10 -1.851 13.455 -6.565 71 HB2 CYS 10 HB2 CYS 10 -4.842 13.584 -6.164 72 HB3 CYS 10 HB1 CYS 10 -3.955 12.619 -7.339 73 H ASN 11 HN ASN 11 -3.046 16.251 -5.243 74 HA ASN 11 HA ASN 11 -3.578 18.361 -6.057 75 HB2 ASN 11 HB2 ASN 11 -2.178 19.186 -7.747 76 HB3 ASN 11 HB1 ASN 11 -1.254 17.833 -7.106 77 HD21 ASN 11 HD21 ASN 11 -3.413 18.764 -9.813 78 HD22 ASN 11 HD22 ASN 11 -2.838 17.581 -10.885 79 H GLU 12 HN GLU 12 -5.336 15.988 -6.777 80 HA GLU 12 HA GLU 12 -6.596 17.020 -9.280 81 HB2 GLU 12 HB2 GLU 12 -7.845 14.964 -9.332 82 HB3 GLU 12 HB1 GLU 12 -6.176 14.534 -8.961 83 HG2 GLU 12 HG2 GLU 12 -6.849 14.628 -6.500 84 HG3 GLU 12 HG1 GLU 12 -8.514 14.694 -7.046 85 H SER 13 HN SER 13 -8.567 18.074 -9.209 86 HA SER 13 HA SER 13 -9.494 19.375 -6.923 87 HB2 SER 13 HB2 SER 13 -11.226 18.376 -9.196 88 HB3 SER 13 HB1 SER 13 -11.607 19.700 -8.100 89 HG SER 13 HG SER 13 -10.725 20.530 -9.991 90 H LEU 14 HN LEU 14 -10.713 18.742 -5.126 91 HA LEU 14 HA LEU 14 -11.070 15.979 -4.526 92 HB2 LEU 14 HB2 LEU 14 -12.492 18.425 -3.460 93 HB3 LEU 14 HB1 LEU 14 -12.757 16.821 -2.821 94 HG LEU 14 HG LEU 14 -11.140 18.052 -1.479 95 HD11 LEU 14 HD11 LEU 14 -9.720 16.274 -1.164 96 HD12 LEU 14 HD12 LEU 14 -9.455 16.027 -2.887 97 HD13 LEU 14 HD13 LEU 14 -10.958 15.486 -2.137 98 HD21 LEU 14 HD21 LEU 14 -9.264 18.011 -3.817 99 HD22 LEU 14 HD22 LEU 14 -9.137 18.925 -2.316 100 HD23 LEU 14 HD23 LEU 14 -10.335 19.383 -3.525 101 H PHE 15 HN PHE 15 -12.643 14.583 -5.105 102 HA PHE 15 HA PHE 15 -14.414 15.381 -7.254 103 HB2 PHE 15 HB2 PHE 15 -14.978 12.965 -7.292 104 HB3 PHE 15 HB1 PHE 15 -13.246 13.268 -7.345 105 HD1 PHE 15 HD2 PHE 15 -11.897 13.118 -5.125 106 HD2 PHE 15 HD1 PHE 15 -15.933 11.687 -5.560 107 HE1 PHE 15 HE2 PHE 15 -11.642 11.756 -3.077 108 HE2 PHE 15 HE1 PHE 15 -15.660 10.310 -3.516 109 HZ PHE 15 HZ PHE 15 -13.518 10.348 -2.276 110 H GLY 16 HN GLY 16 -16.147 16.620 -6.526 111 HA2 GLY 16 HA2 GLY 16 -18.229 17.040 -5.514 112 HA3 GLY 16 HA1 GLY 16 -18.503 15.375 -5.992 113 H LYS 17 HN LYS 17 -16.061 15.518 -3.557 114 HA LYS 17 HA LYS 17 -18.184 15.039 -1.464 115 HB2 LYS 17 HB2 LYS 17 -17.449 12.892 -2.347 116 HB3 LYS 17 HB1 LYS 17 -15.765 13.321 -2.043 117 HG2 LYS 17 HG2 LYS 17 -16.028 13.238 0.298 118 HG3 LYS 17 HG1 LYS 17 -17.784 13.365 0.201 119 HD2 LYS 17 HD2 LYS 17 -17.865 11.115 -0.853 120 HD3 LYS 17 HD1 LYS 17 -16.115 10.985 -0.671 121 HE2 LYS 17 HE2 LYS 17 -16.320 11.164 1.758 122 HE3 LYS 17 HE1 LYS 17 -18.062 11.402 1.616 123 HZ1 LYS 17 HZ1 LYS 17 -17.284 9.079 0.212 124 HZ2 LYS 17 HZ2 LYS 17 -18.360 9.227 1.519 125 HZ3 LYS 17 HZ3 LYS 17 -16.701 8.999 1.803 126 H LYS 18 HN LYS 18 -17.514 15.127 0.709 127 HA LYS 18 HA LYS 18 -16.012 17.370 1.466 128 HB2 LYS 18 HB2 LYS 18 -16.726 14.831 2.944 129 HB3 LYS 18 HB1 LYS 18 -15.811 16.125 3.720 130 HG2 LYS 18 HG2 LYS 18 -17.588 17.662 3.548 131 HG3 LYS 18 HG1 LYS 18 -18.402 16.724 2.297 132 HD2 LYS 18 HD2 LYS 18 -19.572 16.477 4.444 133 HD3 LYS 18 HD1 LYS 18 -18.867 14.938 3.949 134 HE2 LYS 18 HE2 LYS 18 -17.028 15.196 5.477 135 HE3 LYS 18 HE1 LYS 18 -17.475 16.867 5.824 136 HZ1 LYS 18 HZ1 LYS 18 -18.733 16.110 7.461 137 HZ2 LYS 18 HZ2 LYS 18 -18.403 14.497 7.040 138 HZ3 LYS 18 HZ3 LYS 18 -19.713 15.314 6.329 139 H TYR 19 HN TYR 19 -13.930 17.193 2.857 140 HA TYR 19 HA TYR 19 -12.075 15.104 1.820 141 HB2 TYR 19 HB2 TYR 19 -10.485 16.778 1.077 142 HB3 TYR 19 HB1 TYR 19 -12.040 17.060 0.298 143 HD1 TYR 19 HD1 TYR 19 -13.675 18.717 1.490 144 HD2 TYR 19 HD2 TYR 19 -9.455 18.534 2.241 145 HE1 TYR 19 HE1 TYR 19 -13.749 21.003 2.437 146 HE2 TYR 19 HE2 TYR 19 -9.528 20.832 3.185 147 HH TYR 19 HH TYR 19 -12.577 22.502 3.712 148 H ILE 20 HN ILE 20 -10.044 15.052 2.993 149 HA ILE 20 HA ILE 20 -10.351 15.984 5.828 150 HB ILE 20 HB ILE 20 -8.712 13.711 4.670 151 HG12 ILE 20 HG12 ILE 20 -11.125 13.348 6.449 152 HG13 ILE 20 HG11 ILE 20 -11.369 13.609 4.726 153 HG21 ILE 20 HG21 ILE 20 -9.233 14.686 7.485 154 HG22 ILE 20 HG22 ILE 20 -7.679 14.479 6.678 155 HG23 ILE 20 HG23 ILE 20 -8.627 13.066 7.140 156 HD11 ILE 20 HD11 ILE 20 -10.038 11.679 4.162 157 HD12 ILE 20 HD12 ILE 20 -11.209 11.181 5.384 158 HD13 ILE 20 HD13 ILE 20 -9.531 11.475 5.839 159 H LEU 21 HN LEU 21 -8.652 17.147 6.769 160 HA LEU 21 HA LEU 21 -6.534 18.109 4.916 161 HB2 LEU 21 HB2 LEU 21 -7.317 18.996 7.712 162 HB3 LEU 21 HB1 LEU 21 -5.960 19.663 6.800 163 HG LEU 21 HG LEU 21 -8.041 21.047 6.665 164 HD11 LEU 21 HD11 LEU 21 -7.509 19.958 3.921 165 HD12 LEU 21 HD12 LEU 21 -6.215 20.766 4.794 166 HD13 LEU 21 HD13 LEU 21 -7.710 21.625 4.436 167 HD21 LEU 21 HD21 LEU 21 -10.004 20.280 5.621 168 HD22 LEU 21 HD22 LEU 21 -9.521 18.907 6.613 169 HD23 LEU 21 HD23 LEU 21 -9.191 18.905 4.878 170 H ARG 22 HN ARG 22 -4.731 16.903 4.889 171 HA ARG 22 HA ARG 22 -3.807 15.590 7.425 172 HB2 ARG 22 HB2 ARG 22 -4.378 14.151 5.358 173 HB3 ARG 22 HB1 ARG 22 -2.954 14.874 4.618 174 HG2 ARG 22 HG2 ARG 22 -2.084 12.913 5.552 175 HG3 ARG 22 HG1 ARG 22 -1.723 14.103 6.791 176 HD2 ARG 22 HD2 ARG 22 -3.783 13.414 8.016 177 HD3 ARG 22 HD1 ARG 22 -4.104 12.217 6.766 178 HE ARG 22 HE ARG 22 -1.540 11.614 7.624 179 HH11 ARG 22 HH21 ARG 22 -4.624 12.102 9.086 180 HH12 ARG 22 HH22 ARG 22 -4.330 10.997 10.388 181 HH21 ARG 22 HH11 ARG 22 -1.138 10.168 9.313 182 HH22 ARG 22 HH12 ARG 22 -2.355 9.903 10.516 183 H GLU 23 HN GLU 23 -1.740 16.119 8.149 184 HA GLU 23 HA GLU 23 0.146 17.519 8.348 185 HB2 GLU 23 HB2 GLU 23 0.170 16.902 5.376 186 HB3 GLU 23 HB1 GLU 23 1.485 17.728 6.212 187 HG2 GLU 23 HG2 GLU 23 0.432 15.037 7.106 188 HG3 GLU 23 HG1 GLU 23 1.752 15.201 5.947 189 H GLU 24 HN GLU 24 -2.489 18.689 7.915 190 HA GLU 24 HA GLU 24 -3.424 20.803 7.601 191 HB2 GLU 24 HB2 GLU 24 -0.652 21.852 7.005 192 HB3 GLU 24 HB1 GLU 24 -2.021 22.708 7.709 193 HG2 GLU 24 HG2 GLU 24 -1.865 21.009 9.644 194 HG3 GLU 24 HG1 GLU 24 -0.276 20.606 8.996 195 H SER 25 HN SER 25 -3.280 18.981 5.386 196 HA SER 25 HA SER 25 -3.448 20.957 3.205 197 HB2 SER 25 HB2 SER 25 -1.934 18.425 2.645 198 HB3 SER 25 HB1 SER 25 -1.879 19.961 1.786 199 HG SER 25 HG SER 25 -1.105 20.660 4.072 200 HA PRO 26 HA PRO 26 -7.037 18.408 2.348 201 HB2 PRO 26 HB2 PRO 26 -7.257 19.113 -0.407 202 HB3 PRO 26 HB1 PRO 26 -8.088 19.890 0.943 203 HG2 PRO 26 HG2 PRO 26 -5.809 20.882 -0.631 204 HG3 PRO 26 HG1 PRO 26 -6.858 21.768 0.480 205 HD2 PRO 26 HD2 PRO 26 -4.176 20.987 0.991 206 HD3 PRO 26 HD1 PRO 26 -5.337 21.605 2.184 207 H TYR 27 HN TYR 27 -6.985 16.268 1.974 208 HA TYR 27 HA TYR 27 -5.339 15.188 -0.297 209 HB2 TYR 27 HB2 TYR 27 -5.751 14.209 2.537 210 HB3 TYR 27 HB1 TYR 27 -5.483 13.033 1.268 211 HD1 TYR 27 HD2 TYR 27 -3.553 15.957 0.437 212 HD2 TYR 27 HD1 TYR 27 -3.655 12.570 3.068 213 HE1 TYR 27 HE2 TYR 27 -1.130 16.148 0.762 214 HE2 TYR 27 HE1 TYR 27 -1.210 12.776 3.408 215 HH TYR 27 HH TYR 27 0.579 15.520 2.234 216 H CYS 28 HN CYS 28 -6.482 13.704 -1.605 217 HA CYS 28 HA CYS 28 -9.356 13.879 -1.482 218 HB2 CYS 28 HB2 CYS 28 -9.353 12.176 -3.260 219 HB3 CYS 28 HB1 CYS 28 -8.172 13.422 -3.608 220 H VAL 29 HN VAL 29 -10.839 12.227 -0.810 221 HA VAL 29 HA VAL 29 -10.411 10.949 1.597 222 HB VAL 29 HB VAL 29 -12.011 9.666 -0.626 223 HG11 VAL 29 HG11 VAL 29 -13.441 8.971 1.197 224 HG12 VAL 29 HG12 VAL 29 -12.508 9.934 2.345 225 HG13 VAL 29 HG13 VAL 29 -11.781 8.519 1.583 226 HG21 VAL 29 HG21 VAL 29 -12.561 12.153 1.005 227 HG22 VAL 29 HG22 VAL 29 -13.854 11.213 0.260 228 HG23 VAL 29 HG23 VAL 29 -12.619 11.967 -0.748 229 H VAL 30 HN VAL 30 -10.043 9.452 -1.600 230 HA VAL 30 HA VAL 30 -9.133 6.928 -0.923 231 HB VAL 30 HB VAL 30 -7.841 8.566 -3.108 232 HG11 VAL 30 HG11 VAL 30 -8.642 5.654 -2.861 233 HG12 VAL 30 HG12 VAL 30 -6.999 6.285 -2.744 234 HG13 VAL 30 HG13 VAL 30 -7.877 6.388 -4.270 235 HG21 VAL 30 HG21 VAL 30 -9.835 7.732 -4.479 236 HG22 VAL 30 HG22 VAL 30 -10.171 9.039 -3.345 237 HG23 VAL 30 HG23 VAL 30 -10.621 7.383 -2.939 238 H CYS 31 HN CYS 31 -7.010 9.805 -1.393 239 HA CYS 31 HA CYS 31 -4.560 8.655 -0.780 240 HB2 CYS 31 HB2 CYS 31 -5.696 11.374 -0.373 241 HB3 CYS 31 HB1 CYS 31 -4.238 10.998 0.539 242 H PHE 32 HN PHE 32 -6.535 10.326 1.682 243 HA PHE 32 HA PHE 32 -5.191 9.502 3.964 244 HB2 PHE 32 HB2 PHE 32 -7.230 10.998 3.866 245 HB3 PHE 32 HB1 PHE 32 -8.214 9.540 3.747 246 HD1 PHE 32 HD1 PHE 32 -8.031 7.788 5.596 247 HD2 PHE 32 HD2 PHE 32 -6.432 11.758 5.963 248 HE1 PHE 32 HE1 PHE 32 -7.947 7.527 8.061 249 HE2 PHE 32 HE2 PHE 32 -6.345 11.498 8.426 250 HZ PHE 32 HZ PHE 32 -7.104 9.382 9.477 251 H GLU 33 HN GLU 33 -7.727 7.608 2.275 252 HA GLU 33 HA GLU 33 -7.565 5.402 4.112 253 HB2 GLU 33 HB2 GLU 33 -8.587 5.557 1.273 254 HB3 GLU 33 HB1 GLU 33 -8.843 4.192 2.363 255 HG2 GLU 33 HG2 GLU 33 -9.601 6.999 3.175 256 HG3 GLU 33 HG1 GLU 33 -10.694 5.991 2.239 257 H THR 34 HN THR 34 -6.541 5.489 0.673 258 HA THR 34 HA THR 34 -5.101 3.103 0.672 259 HB THR 34 HB THR 34 -5.623 4.825 -1.239 260 HG1 THR 34 HG1 THR 34 -3.343 3.168 -1.063 261 HG21 THR 34 HG21 THR 34 -4.037 6.530 -0.206 262 HG22 THR 34 HG22 THR 34 -3.824 6.219 -1.924 263 HG23 THR 34 HG23 THR 34 -2.721 5.496 -0.753 264 H LEU 35 HN LEU 35 -3.863 6.320 1.569 265 HA LEU 35 HA LEU 35 -1.160 5.619 1.942 266 HB2 LEU 35 HB2 LEU 35 -2.869 7.593 3.463 267 HB3 LEU 35 HB1 LEU 35 -1.120 7.496 3.614 268 HG LEU 35 HG LEU 35 -2.472 7.878 0.933 269 HD11 LEU 35 HD11 LEU 35 -2.086 10.282 1.193 270 HD12 LEU 35 HD12 LEU 35 -1.464 10.018 2.822 271 HD13 LEU 35 HD13 LEU 35 -3.160 9.693 2.462 272 HD21 LEU 35 HD21 LEU 35 -0.177 9.008 0.526 273 HD22 LEU 35 HD22 LEU 35 -0.197 7.252 0.634 274 HD23 LEU 35 HD23 LEU 35 0.340 8.212 2.011 275 H PHE 36 HN PHE 36 -3.644 5.765 4.522 276 HA PHE 36 HA PHE 36 -1.854 4.134 6.249 277 HB2 PHE 36 HB2 PHE 36 -4.507 5.218 7.146 278 HB3 PHE 36 HB1 PHE 36 -3.010 5.029 8.054 279 HD1 PHE 36 HD2 PHE 36 -1.073 6.297 6.119 280 HD2 PHE 36 HD1 PHE 36 -4.978 7.525 7.424 281 HE1 PHE 36 HE2 PHE 36 -0.495 8.651 5.627 282 HE2 PHE 36 HE1 PHE 36 -4.392 9.883 6.931 283 HZ PHE 36 HZ PHE 36 -2.154 10.444 6.029 284 H ALA 37 HN ALA 37 -4.296 3.438 4.077 285 HA ALA 37 HA ALA 37 -5.906 1.591 5.552 286 HB1 ALA 37 HB1 ALA 37 -5.222 1.874 2.635 287 HB2 ALA 37 HB2 ALA 37 -6.769 2.143 3.437 288 HB3 ALA 37 HB3 ALA 37 -6.176 0.501 3.193 289 H ASN 38 HN ASN 38 -5.819 -0.791 5.404 290 HA ASN 38 HA ASN 38 -3.060 -1.774 5.782 291 HB2 ASN 38 HB2 ASN 38 -5.808 -2.936 6.273 292 HB3 ASN 38 HB1 ASN 38 -4.346 -3.907 6.404 293 HD21 ASN 38 HD21 ASN 38 -2.536 -2.630 7.796 294 HD22 ASN 38 HD22 ASN 38 -3.116 -1.960 9.243 295 H THR 39 HN THR 39 -2.279 -3.667 4.615 296 HA THR 39 HA THR 39 -3.296 -3.758 1.829 297 HB THR 39 HB THR 39 -0.918 -5.288 2.902 298 HG1 THR 39 HG1 THR 39 -1.184 -2.547 2.285 299 HG21 THR 39 HG21 THR 39 -0.122 -5.007 0.603 300 HG22 THR 39 HG22 THR 39 -1.530 -4.020 0.214 301 HG23 THR 39 HG23 THR 39 -1.731 -5.730 0.596 302 H CYS 40 HN CYS 40 -4.253 -5.565 0.927 303 HA CYS 40 HA CYS 40 -5.030 -7.755 2.783 304 HB2 CYS 40 HB2 CYS 40 -6.865 -6.969 1.491 305 HB3 CYS 40 HB1 CYS 40 -5.917 -6.924 0.009 306 H GLU 41 HN GLU 41 -3.347 -9.105 2.991 307 HA GLU 41 HA GLU 41 -1.262 -9.718 1.308 308 HB2 GLU 41 HB2 GLU 41 -2.793 -11.728 2.977 309 HB3 GLU 41 HB1 GLU 41 -1.117 -11.869 2.450 310 HG2 GLU 41 HG2 GLU 41 -0.516 -9.863 3.727 311 HG3 GLU 41 HG1 GLU 41 -2.194 -9.640 4.209 312 H GLU 42 HN GLU 42 -4.586 -10.501 0.748 313 HA GLU 42 HA GLU 42 -3.927 -12.608 -1.226 314 HB2 GLU 42 HB2 GLU 42 -6.025 -12.523 0.335 315 HB3 GLU 42 HB1 GLU 42 -6.670 -11.403 -0.862 316 HG2 GLU 42 HG2 GLU 42 -5.653 -14.197 -1.452 317 HG3 GLU 42 HG1 GLU 42 -7.350 -13.731 -1.341 318 H CYS 43 HN CYS 43 -5.724 -9.497 -1.351 319 HA CYS 43 HA CYS 43 -5.441 -9.360 -4.251 320 HB2 CYS 43 HB2 CYS 43 -6.286 -7.201 -2.292 321 HB3 CYS 43 HB1 CYS 43 -6.531 -7.178 -4.038 322 H GLY 44 HN GLY 44 -3.969 -7.708 -1.469 323 HA2 GLY 44 HA2 GLY 44 -1.684 -6.948 -1.411 324 HA3 GLY 44 HA1 GLY 44 -1.639 -7.006 -3.175 325 H LYS 45 HN LYS 45 -4.509 -5.659 -2.715 326 HA LYS 45 HA LYS 45 -3.444 -2.924 -3.027 327 HB2 LYS 45 HB2 LYS 45 -6.130 -4.224 -3.478 328 HB3 LYS 45 HB1 LYS 45 -5.972 -2.468 -3.464 329 HG2 LYS 45 HG2 LYS 45 -4.488 -2.481 -5.325 330 HG3 LYS 45 HG1 LYS 45 -4.213 -4.217 -5.189 331 HD2 LYS 45 HD2 LYS 45 -5.740 -3.801 -7.043 332 HD3 LYS 45 HD1 LYS 45 -6.619 -4.603 -5.742 333 HE2 LYS 45 HE2 LYS 45 -6.567 -1.591 -5.929 334 HE3 LYS 45 HE1 LYS 45 -7.718 -2.534 -6.874 335 HZ1 LYS 45 HZ1 LYS 45 -8.935 -2.948 -5.080 336 HZ2 LYS 45 HZ2 LYS 45 -8.026 -1.756 -4.281 337 HZ3 LYS 45 HZ3 LYS 45 -7.587 -3.392 -4.152 338 HA PRO 46 HA PRO 46 -4.384 -1.706 1.132 339 HB2 PRO 46 HB2 PRO 46 -5.688 0.792 0.420 340 HB3 PRO 46 HB1 PRO 46 -4.056 0.560 1.060 341 HG2 PRO 46 HG2 PRO 46 -4.817 1.259 -1.640 342 HG3 PRO 46 HG1 PRO 46 -3.182 1.034 -1.000 343 HD2 PRO 46 HD2 PRO 46 -4.613 -0.711 -2.783 344 HD3 PRO 46 HD1 PRO 46 -2.999 -0.957 -2.088 345 H ILE 47 HN ILE 47 -6.157 -1.955 2.538 346 HA ILE 47 HA ILE 47 -8.797 -2.489 1.253 347 HB ILE 47 HB ILE 47 -8.002 -3.025 4.130 348 HG12 ILE 47 HG12 ILE 47 -7.767 -4.849 1.713 349 HG13 ILE 47 HG11 ILE 47 -6.420 -4.176 2.622 350 HG21 ILE 47 HG21 ILE 47 -10.096 -4.266 2.317 351 HG22 ILE 47 HG22 ILE 47 -10.428 -3.039 3.535 352 HG23 ILE 47 HG23 ILE 47 -9.852 -4.631 4.023 353 HD11 ILE 47 HD11 ILE 47 -6.548 -6.182 3.723 354 HD12 ILE 47 HD12 ILE 47 -8.251 -6.405 3.331 355 HD13 ILE 47 HD13 ILE 47 -7.786 -5.341 4.656 356 H GLY 48 HN GLY 48 -9.882 -0.558 1.093 357 HA2 GLY 48 HA2 GLY 48 -9.567 1.673 2.824 358 HA3 GLY 48 HA1 GLY 48 -10.969 1.406 1.790 359 H CYS 49 HN CYS 49 -10.517 2.217 4.760 360 HA CYS 49 HA CYS 49 -11.659 0.168 6.398 361 HB2 CYS 49 HB2 CYS 49 -10.525 2.109 7.373 362 HB3 CYS 49 HB1 CYS 49 -11.752 3.185 6.707 363 HG CYS 49 HG CYS 49 -12.573 2.710 9.095 364 H ASP 50 HN ASP 50 -13.046 2.302 4.059 365 HA ASP 50 HA ASP 50 -15.759 2.213 5.111 366 HB2 ASP 50 HB2 ASP 50 -14.738 2.876 2.330 367 HB3 ASP 50 HB1 ASP 50 -16.381 3.158 2.907 368 H CYS 51 HN CYS 51 -14.299 -0.366 4.700 369 HA CYS 51 HA CYS 51 -16.466 -1.748 3.220 370 HB2 CYS 51 HB2 CYS 51 -13.522 -2.030 2.540 371 HB3 CYS 51 HB1 CYS 51 -14.793 -3.095 1.940 372 HG CYS 51 HG CYS 51 -15.502 -0.232 1.312 373 H LYS 52 HN LYS 52 -15.792 -4.285 3.361 374 HA LYS 52 HA LYS 52 -15.642 -4.812 6.224 375 HB2 LYS 52 HB2 LYS 52 -15.859 -7.207 5.529 376 HB3 LYS 52 HB1 LYS 52 -17.128 -6.176 4.877 377 HG2 LYS 52 HG2 LYS 52 -15.436 -5.964 2.816 378 HG3 LYS 52 HG1 LYS 52 -14.824 -7.485 3.456 379 HD2 LYS 52 HD2 LYS 52 -16.457 -8.316 2.039 380 HD3 LYS 52 HD1 LYS 52 -17.427 -8.117 3.496 381 HE2 LYS 52 HE2 LYS 52 -17.354 -6.405 1.022 382 HE3 LYS 52 HE1 LYS 52 -18.750 -7.060 1.876 383 HZ1 LYS 52 HZ1 LYS 52 -18.370 -5.538 3.671 384 HZ2 LYS 52 HZ2 LYS 52 -18.445 -4.660 2.218 385 HZ3 LYS 52 HZ3 LYS 52 -16.944 -4.965 2.953 386 H ASP 53 HN ASP 53 -13.602 -4.403 7.034 387 HA ASP 53 HA ASP 53 -11.241 -5.591 5.648 388 HB2 ASP 53 HB2 ASP 53 -9.924 -4.226 7.239 389 HB3 ASP 53 HB1 ASP 53 -11.063 -3.231 6.331 390 H LEU 54 HN LEU 54 -11.227 -7.761 6.227 391 HA LEU 54 HA LEU 54 -11.912 -8.633 8.889 392 HB2 LEU 54 HB2 LEU 54 -11.819 -9.881 6.492 393 HB3 LEU 54 HB1 LEU 54 -10.241 -10.356 7.082 394 HG LEU 54 HG LEU 54 -12.919 -11.347 7.841 395 HD11 LEU 54 HD11 LEU 54 -10.114 -12.392 8.139 396 HD12 LEU 54 HD12 LEU 54 -11.319 -12.840 6.932 397 HD13 LEU 54 HD13 LEU 54 -11.550 -13.292 8.618 398 HD21 LEU 54 HD21 LEU 54 -11.052 -10.490 10.037 399 HD22 LEU 54 HD22 LEU 54 -12.051 -11.918 10.240 400 HD23 LEU 54 HD23 LEU 54 -12.806 -10.357 9.965 401 H SER 55 HN SER 55 -10.566 -8.607 10.651 402 HA SER 55 HA SER 55 -7.612 -8.300 10.185 403 HB2 SER 55 HB2 SER 55 -8.217 -6.382 11.369 404 HB3 SER 55 HB1 SER 55 -9.485 -7.214 12.265 405 HG SER 55 HG SER 55 -6.700 -7.704 12.537 406 H TYR 56 HN TYR 56 -6.361 -9.950 10.893 407 HA TYR 56 HA TYR 56 -7.177 -11.583 13.195 408 HB2 TYR 56 HB2 TYR 56 -8.166 -12.477 10.846 409 HB3 TYR 56 HB1 TYR 56 -6.559 -13.190 10.730 410 HD1 TYR 56 HD1 TYR 56 -5.715 -14.564 12.730 411 HD2 TYR 56 HD2 TYR 56 -9.832 -13.490 12.200 412 HE1 TYR 56 HE1 TYR 56 -6.380 -16.366 14.297 413 HE2 TYR 56 HE2 TYR 56 -10.499 -15.290 13.765 414 HH TYR 56 HH TYR 56 -8.775 -16.608 15.898 415 H LYS 57 HN LYS 57 -5.364 -12.456 14.212 416 HA LYS 57 HA LYS 57 -3.083 -12.572 14.748 417 HB2 LYS 57 HB2 LYS 57 -3.430 -14.388 12.984 418 HB3 LYS 57 HB1 LYS 57 -2.743 -13.259 11.825 419 HG2 LYS 57 HG2 LYS 57 -0.660 -13.159 13.066 420 HG3 LYS 57 HG1 LYS 57 -1.349 -14.098 14.385 421 HD2 LYS 57 HD2 LYS 57 -1.318 -15.270 11.608 422 HD3 LYS 57 HD1 LYS 57 0.162 -15.282 12.563 423 HE2 LYS 57 HE2 LYS 57 -2.502 -16.472 13.403 424 HE3 LYS 57 HE1 LYS 57 -1.072 -17.372 12.905 425 HZ1 LYS 57 HZ1 LYS 57 -0.014 -15.893 14.807 426 HZ2 LYS 57 HZ2 LYS 57 -0.740 -17.395 15.125 427 HZ3 LYS 57 HZ3 LYS 57 -1.602 -15.957 15.397 428 H ASP 58 HN ASP 58 -3.800 -9.973 14.364 429 HA ASP 58 HA ASP 58 -2.953 -7.852 13.848 430 HB2 ASP 58 HB2 ASP 58 -1.010 -8.855 15.075 431 HB3 ASP 58 HB1 ASP 58 -0.343 -9.353 13.520 432 H ARG 59 HN ARG 59 -3.545 -9.975 11.567 433 HA ARG 59 HA ARG 59 -2.219 -8.448 9.351 434 HB2 ARG 59 HB2 ARG 59 -3.333 -11.263 9.448 435 HB3 ARG 59 HB1 ARG 59 -2.832 -10.462 7.962 436 HG2 ARG 59 HG2 ARG 59 -0.576 -10.293 8.695 437 HG3 ARG 59 HG1 ARG 59 -1.000 -10.720 10.347 438 HD2 ARG 59 HD2 ARG 59 -1.672 -12.966 9.606 439 HD3 ARG 59 HD1 ARG 59 -1.252 -12.547 7.948 440 HE ARG 59 HE ARG 59 1.077 -12.049 9.367 441 HH11 ARG 59 HH21 ARG 59 -1.116 -14.684 8.996 442 HH12 ARG 59 HH22 ARG 59 0.095 -15.899 9.233 443 HH21 ARG 59 HH11 ARG 59 2.672 -13.622 9.677 444 HH22 ARG 59 HH12 ARG 59 2.240 -15.298 9.618 445 H HIS 60 HN HIS 60 -3.647 -8.270 7.366 446 HA HIS 60 HA HIS 60 -6.517 -7.839 8.158 447 HB2 HIS 60 HB2 HIS 60 -4.757 -6.203 6.313 448 HB3 HIS 60 HB1 HIS 60 -6.500 -5.989 6.466 449 HD2 HIS 60 HD2 HIS 60 -7.316 -4.570 8.739 450 HE1 HIS 60 HE1 HIS 60 -3.508 -4.216 10.527 451 HE2 HIS 60 HE2 HIS 60 -5.936 -3.487 10.673 452 H TRP 61 HN TRP 61 -8.082 -8.302 6.541 453 HA TRP 61 HA TRP 61 -7.250 -9.429 3.960 454 HB2 TRP 61 HB2 TRP 61 -8.026 -11.121 6.306 455 HB3 TRP 61 HB1 TRP 61 -8.754 -11.568 4.770 456 HD1 TRP 61 HD1 TRP 61 -6.712 -11.538 2.678 457 HE1 TRP 61 HE1 TRP 61 -4.501 -12.862 2.794 458 HE3 TRP 61 HE3 TRP 61 -6.297 -12.140 7.737 459 HZ2 TRP 61 HZ2 TRP 61 -2.778 -14.006 4.763 460 HZ3 TRP 61 HZ3 TRP 61 -4.354 -13.341 8.702 461 HH2 TRP 61 HH2 TRP 61 -2.601 -14.280 7.221 462 H HIS 62 HN HIS 62 -9.060 -9.569 2.515 463 HA HIS 62 HA HIS 62 -11.399 -7.988 3.287 464 HB2 HIS 62 HB2 HIS 62 -10.724 -9.651 0.841 465 HB3 HIS 62 HB1 HIS 62 -12.292 -8.895 1.039 466 HD2 HIS 62 HD2 HIS 62 -11.915 -5.916 1.550 467 HE1 HIS 62 HE1 HIS 62 -8.573 -5.853 -1.028 468 HE2 HIS 62 HE2 HIS 62 -10.302 -4.417 0.149 469 H GLU 63 HN GLU 63 -13.257 -8.915 4.238 470 HA GLU 63 HA GLU 63 -13.313 -11.428 5.403 471 HB2 GLU 63 HB2 GLU 63 -15.359 -9.452 4.604 472 HB3 GLU 63 HB1 GLU 63 -16.000 -11.090 4.667 473 HG2 GLU 63 HG2 GLU 63 -16.281 -10.085 6.848 474 HG3 GLU 63 HG1 GLU 63 -15.024 -11.310 6.976 475 H ALA 64 HN ALA 64 -13.752 -10.700 2.013 476 HA ALA 64 HA ALA 64 -14.793 -13.401 1.406 477 HB1 ALA 64 HB1 ALA 64 -13.981 -11.235 -0.543 478 HB2 ALA 64 HB2 ALA 64 -15.572 -11.309 0.214 479 HB3 ALA 64 HB3 ALA 64 -15.038 -12.614 -0.846 480 H CYS 65 HN CYS 65 -11.708 -11.766 1.458 481 HA CYS 65 HA CYS 65 -10.439 -13.611 -0.431 482 HB2 CYS 65 HB2 CYS 65 -9.422 -11.468 1.422 483 HB3 CYS 65 HB1 CYS 65 -8.313 -12.543 0.578 484 H PHE 66 HN PHE 66 -10.864 -13.430 3.042 485 HA PHE 66 HA PHE 66 -8.891 -15.458 3.661 486 HB2 PHE 66 HB2 PHE 66 -10.106 -13.624 5.144 487 HB3 PHE 66 HB1 PHE 66 -11.279 -14.905 5.406 488 HD1 PHE 66 HD2 PHE 66 -9.988 -17.319 5.778 489 HD2 PHE 66 HD1 PHE 66 -8.501 -13.440 6.814 490 HE1 PHE 66 HE2 PHE 66 -8.501 -18.351 7.458 491 HE2 PHE 66 HE1 PHE 66 -6.999 -14.466 8.504 492 HZ PHE 66 HZ PHE 66 -7.000 -16.926 8.822 493 H HIS 67 HN HIS 67 -9.221 -17.421 2.605 494 HA HIS 67 HA HIS 67 -11.650 -18.917 3.335 495 HB2 HIS 67 HB2 HIS 67 -11.993 -19.566 0.888 496 HB3 HIS 67 HB1 HIS 67 -12.457 -17.921 1.317 497 HD2 HIS 67 HD2 HIS 67 -9.422 -19.723 -0.497 498 HE1 HIS 67 HE1 HIS 67 -9.408 -15.634 -1.547 499 HE2 HIS 67 HE2 HIS 67 -8.305 -17.882 -1.972 500 H CYS 68 HN CYS 68 -11.508 -21.230 2.302 501 HA CYS 68 HA CYS 68 -8.836 -22.272 2.951 502 HB2 CYS 68 HB2 CYS 68 -10.670 -23.591 3.768 503 HB3 CYS 68 HB1 CYS 68 -11.461 -23.588 2.197 504 H SER 69 HN SER 69 -7.442 -23.275 1.442 505 HA SER 69 HA SER 69 -7.669 -22.334 -1.286 506 HB2 SER 69 HB2 SER 69 -5.525 -22.810 0.064 507 HB3 SER 69 HB1 SER 69 -5.792 -24.501 -0.340 508 HG SER 69 HG SER 69 -4.726 -22.579 -1.838 509 H GLN 70 HN GLN 70 -8.667 -25.251 0.347 510 HA GLN 70 HA GLN 70 -9.011 -26.694 -2.241 511 HB2 GLN 70 HB2 GLN 70 -9.568 -27.708 0.556 512 HB3 GLN 70 HB1 GLN 70 -9.393 -28.666 -0.913 513 HG2 GLN 70 HG2 GLN 70 -7.156 -26.901 0.069 514 HG3 GLN 70 HG1 GLN 70 -7.354 -28.533 0.684 515 HE21 GLN 70 HE21 GLN 70 -5.656 -26.848 -1.565 516 HE22 GLN 70 HE22 GLN 70 -5.455 -28.045 -2.744 517 H CYS 71 HN CYS 71 -10.945 -25.808 0.623 518 HA CYS 71 HA CYS 71 -13.431 -26.503 -0.838 519 HB2 CYS 71 HB2 CYS 71 -13.343 -25.268 1.911 520 HB3 CYS 71 HB1 CYS 71 -14.532 -26.379 1.228 521 H ARG 72 HN ARG 72 -11.494 -23.769 -0.542 522 HA ARG 72 HA ARG 72 -11.896 -21.492 -0.906 523 HB2 ARG 72 HB2 ARG 72 -14.316 -22.315 -2.498 524 HB3 ARG 72 HB1 ARG 72 -13.132 -21.055 -2.844 525 HG2 ARG 72 HG2 ARG 72 -11.407 -22.866 -3.156 526 HG3 ARG 72 HG1 ARG 72 -12.711 -24.047 -3.026 527 HD2 ARG 72 HD2 ARG 72 -13.805 -23.176 -4.982 528 HD3 ARG 72 HD1 ARG 72 -12.728 -21.781 -5.034 529 HE ARG 72 HE ARG 72 -11.013 -23.948 -5.236 530 HH11 ARG 72 HH21 ARG 72 -13.851 -22.840 -6.849 531 HH12 ARG 72 HH22 ARG 72 -13.410 -23.523 -8.379 532 HH21 ARG 72 HH11 ARG 72 -10.419 -24.845 -7.224 533 HH22 ARG 72 HH12 ARG 72 -11.467 -24.660 -8.591 534 H ASN 73 HN ASN 73 -13.501 -23.047 1.240 535 HA ASN 73 HA ASN 73 -15.988 -21.590 1.531 536 HB2 ASN 73 HB2 ASN 73 -14.251 -23.262 3.339 537 HB3 ASN 73 HB1 ASN 73 -15.556 -22.305 4.044 538 HD21 ASN 73 HD21 ASN 73 -17.585 -23.253 4.043 539 HD22 ASN 73 HD22 ASN 73 -18.047 -24.563 3.071 540 H SER 74 HN SER 74 -16.321 -19.780 3.005 541 HA SER 74 HA SER 74 -13.938 -18.027 3.136 542 HB2 SER 74 HB2 SER 74 -16.841 -17.559 3.886 543 HB3 SER 74 HB1 SER 74 -15.579 -16.334 3.973 544 HG SER 74 HG SER 74 -16.366 -17.780 1.655 545 H LEU 75 HN LEU 75 -12.630 -18.843 4.824 546 HA LEU 75 HA LEU 75 -13.834 -19.568 7.393 547 HB2 LEU 75 HB2 LEU 75 -10.897 -19.094 6.910 548 HB3 LEU 75 HB1 LEU 75 -11.649 -20.142 8.098 549 HG LEU 75 HG LEU 75 -12.088 -20.662 5.153 550 HD11 LEU 75 HD11 LEU 75 -10.069 -22.342 5.594 551 HD12 LEU 75 HD12 LEU 75 -9.567 -21.072 6.699 552 HD13 LEU 75 HD13 LEU 75 -9.799 -20.710 4.995 553 HD21 LEU 75 HD21 LEU 75 -12.324 -22.960 5.965 554 HD22 LEU 75 HD22 LEU 75 -13.392 -21.879 6.862 555 HD23 LEU 75 HD23 LEU 75 -11.888 -22.440 7.593 556 H VAL 76 HN VAL 76 -14.493 -17.971 8.726 557 HA VAL 76 HA VAL 76 -12.686 -15.656 9.187 558 HB VAL 76 HB VAL 76 -15.649 -15.497 8.531 559 HG11 VAL 76 HG11 VAL 76 -15.270 -13.013 8.993 560 HG12 VAL 76 HG12 VAL 76 -13.785 -13.494 9.815 561 HG13 VAL 76 HG13 VAL 76 -15.346 -14.059 10.411 562 HG21 VAL 76 HG21 VAL 76 -14.321 -15.422 6.539 563 HG22 VAL 76 HG22 VAL 76 -13.115 -14.385 7.294 564 HG23 VAL 76 HG23 VAL 76 -14.709 -13.743 6.910 565 H ASP 77 HN ASP 77 -12.452 -15.382 11.386 566 HA ASP 77 HA ASP 77 -12.738 -15.875 13.669 567 HB2 ASP 77 HB2 ASP 77 -14.642 -14.363 13.443 568 HB3 ASP 77 HB1 ASP 77 -15.641 -15.666 12.802 569 H LYS 78 HN LYS 78 -13.011 -18.023 11.389 570 HA LYS 78 HA LYS 78 -14.148 -20.222 13.074 571 HB2 LYS 78 HB2 LYS 78 -14.028 -19.681 10.125 572 HB3 LYS 78 HB1 LYS 78 -13.933 -21.364 10.629 573 HG2 LYS 78 HG2 LYS 78 -16.057 -21.254 11.725 574 HG3 LYS 78 HG1 LYS 78 -16.096 -19.494 11.621 575 HD2 LYS 78 HD2 LYS 78 -17.558 -20.433 9.906 576 HD3 LYS 78 HD1 LYS 78 -16.164 -19.676 9.135 577 HE2 LYS 78 HE2 LYS 78 -15.146 -21.758 8.662 578 HE3 LYS 78 HE1 LYS 78 -16.165 -22.617 9.817 579 HZ1 LYS 78 HZ1 LYS 78 -17.800 -22.823 8.334 580 HZ2 LYS 78 HZ2 LYS 78 -16.622 -22.457 7.165 581 HZ3 LYS 78 HZ3 LYS 78 -17.635 -21.233 7.767 582 HA PRO 79 HA PRO 79 -10.046 -21.811 13.522 583 HB2 PRO 79 HB2 PRO 79 -10.562 -24.569 12.981 584 HB3 PRO 79 HB1 PRO 79 -10.552 -23.786 14.566 585 HG2 PRO 79 HG2 PRO 79 -12.861 -24.681 12.975 586 HG3 PRO 79 HG1 PRO 79 -12.808 -24.207 14.679 587 HD2 PRO 79 HD2 PRO 79 -13.918 -22.676 12.561 588 HD3 PRO 79 HD1 PRO 79 -13.562 -22.099 14.203 589 H PHE 80 HN PHE 80 -8.304 -21.962 12.113 590 HA PHE 80 HA PHE 80 -8.616 -23.290 9.494 591 HB2 PHE 80 HB2 PHE 80 -7.793 -21.330 8.223 592 HB3 PHE 80 HB1 PHE 80 -9.356 -21.002 8.986 593 HD1 PHE 80 HD1 PHE 80 -5.655 -20.527 9.412 594 HD2 PHE 80 HD2 PHE 80 -9.590 -19.201 10.495 595 HE1 PHE 80 HE1 PHE 80 -4.683 -18.592 10.615 596 HE2 PHE 80 HE2 PHE 80 -8.615 -17.267 11.695 597 HZ PHE 80 HZ PHE 80 -6.154 -16.962 11.752 598 H ALA 81 HN ALA 81 -6.605 -23.845 8.560 599 HA ALA 81 HA ALA 81 -4.311 -23.697 10.452 600 HB1 ALA 81 HB1 ALA 81 -5.131 -25.868 9.243 601 HB2 ALA 81 HB2 ALA 81 -3.399 -25.541 9.308 602 HB3 ALA 81 HB3 ALA 81 -4.306 -25.200 7.834 603 H ALA 82 HN ALA 82 -3.012 -21.966 10.143 604 HA ALA 82 HA ALA 82 -3.012 -20.507 7.613 605 HB1 ALA 82 HB1 ALA 82 -1.678 -20.163 10.287 606 HB2 ALA 82 HB2 ALA 82 -2.755 -19.062 9.432 607 HB3 ALA 82 HB3 ALA 82 -1.086 -19.241 8.903 608 H LYS 83 HN LYS 83 -1.967 -21.462 5.950 609 HA LYS 83 HA LYS 83 0.565 -22.930 6.411 610 HB2 LYS 83 HB2 LYS 83 -0.991 -24.016 4.918 611 HB3 LYS 83 HB1 LYS 83 -1.177 -22.552 3.963 612 HG2 LYS 83 HG2 LYS 83 0.946 -22.734 2.996 613 HG3 LYS 83 HG1 LYS 83 1.556 -23.767 4.291 614 HD2 LYS 83 HD2 LYS 83 0.163 -25.617 3.525 615 HD3 LYS 83 HD1 LYS 83 -0.568 -24.591 2.290 616 HE2 LYS 83 HE2 LYS 83 2.414 -25.071 2.418 617 HE3 LYS 83 HE1 LYS 83 1.333 -26.127 1.510 618 HZ1 LYS 83 HZ1 LYS 83 0.584 -23.625 0.758 619 HZ2 LYS 83 HZ2 LYS 83 1.578 -24.673 -0.136 620 HZ3 LYS 83 HZ3 LYS 83 2.271 -23.496 0.874 621 H GLU 84 HN GLU 84 2.435 -22.347 5.007 622 HA GLU 84 HA GLU 84 3.480 -19.878 5.387 623 HB2 GLU 84 HB2 GLU 84 3.763 -21.671 2.976 624 HB3 GLU 84 HB1 GLU 84 4.721 -20.203 3.161 625 HG2 GLU 84 HG2 GLU 84 5.707 -21.003 5.203 626 HG3 GLU 84 HG1 GLU 84 4.585 -22.362 5.279 627 H ASP 85 HN ASP 85 1.715 -20.594 2.312 628 HA ASP 85 HA ASP 85 1.107 -17.652 2.145 629 HB2 ASP 85 HB2 ASP 85 2.043 -19.640 0.088 630 HB3 ASP 85 HB1 ASP 85 1.063 -18.270 -0.419 631 H GLN 86 HN GLN 86 -0.310 -20.591 2.709 632 HA GLN 86 HA GLN 86 -2.869 -19.724 1.381 633 HB2 GLN 86 HB2 GLN 86 -2.066 -22.600 1.830 634 HB3 GLN 86 HB1 GLN 86 -3.395 -21.986 0.855 635 HG2 GLN 86 HG2 GLN 86 -0.522 -21.287 0.216 636 HG3 GLN 86 HG1 GLN 86 -1.276 -22.759 -0.372 637 HE21 GLN 86 HE21 GLN 86 -1.210 -21.987 -2.611 638 HE22 GLN 86 HE22 GLN 86 -2.267 -20.772 -3.147 639 H LEU 87 HN LEU 87 -4.778 -20.843 2.341 640 HA LEU 87 HA LEU 87 -4.534 -21.285 5.280 641 HB2 LEU 87 HB2 LEU 87 -6.480 -19.523 3.766 642 HB3 LEU 87 HB1 LEU 87 -6.937 -20.236 5.311 643 HG LEU 87 HG LEU 87 -4.300 -18.799 5.106 644 HD11 LEU 87 HD11 LEU 87 -5.648 -16.738 5.952 645 HD12 LEU 87 HD12 LEU 87 -7.029 -17.525 5.188 646 HD13 LEU 87 HD13 LEU 87 -5.627 -17.073 4.220 647 HD21 LEU 87 HD21 LEU 87 -6.223 -18.705 7.407 648 HD22 LEU 87 HD22 LEU 87 -4.465 -18.636 7.417 649 HD23 LEU 87 HD23 LEU 87 -5.284 -20.167 7.131 650 H LEU 88 HN LEU 88 -5.611 -23.120 5.924 651 HA LEU 88 HA LEU 88 -7.450 -24.444 3.953 652 HB2 LEU 88 HB2 LEU 88 -5.112 -25.627 5.475 653 HB3 LEU 88 HB1 LEU 88 -6.341 -26.609 4.688 654 HG LEU 88 HG LEU 88 -4.965 -24.466 3.078 655 HD11 LEU 88 HD11 LEU 88 -3.066 -25.566 4.053 656 HD12 LEU 88 HD12 LEU 88 -3.253 -26.192 2.416 657 HD13 LEU 88 HD13 LEU 88 -3.784 -27.155 3.794 658 HD21 LEU 88 HD21 LEU 88 -6.822 -25.693 2.071 659 HD22 LEU 88 HD22 LEU 88 -6.042 -27.228 2.452 660 HD23 LEU 88 HD23 LEU 88 -5.312 -26.136 1.276 661 H CYS 89 HN CYS 89 -8.736 -26.219 5.062 662 HA CYS 89 HA CYS 89 -9.725 -25.203 7.646 663 HB2 CYS 89 HB2 CYS 89 -10.653 -27.704 6.213 664 HB3 CYS 89 HB1 CYS 89 -11.545 -26.720 7.367 665 H THR 90 HN THR 90 -9.320 -26.235 9.613 666 HA THR 90 HA THR 90 -7.055 -27.814 9.997 667 HB THR 90 HB THR 90 -8.020 -27.006 11.984 668 HG1 THR 90 HG1 THR 90 -8.953 -29.676 11.922 669 HG21 THR 90 HG21 THR 90 -10.410 -27.507 12.590 670 HG22 THR 90 HG22 THR 90 -10.609 -28.218 10.989 671 HG23 THR 90 HG23 THR 90 -10.232 -26.503 11.151 672 H ASP 91 HN ASP 91 -10.004 -28.708 8.545 673 HA ASP 91 HA ASP 91 -9.691 -31.598 8.992 674 HB2 ASP 91 HB2 ASP 91 -11.555 -29.907 7.329 675 HB3 ASP 91 HB1 ASP 91 -11.535 -31.664 7.191 676 H CYS 92 HN CYS 92 -9.334 -29.295 6.289 677 HA CYS 92 HA CYS 92 -8.230 -31.303 4.497 678 HB2 CYS 92 HB2 CYS 92 -7.804 -28.331 4.180 679 HB3 CYS 92 HB1 CYS 92 -8.002 -29.555 2.929 680 H TYR 93 HN TYR 93 -6.896 -28.731 6.557 681 HA TYR 93 HA TYR 93 -4.184 -28.943 5.790 682 HB2 TYR 93 HB2 TYR 93 -5.239 -27.255 7.361 683 HB3 TYR 93 HB1 TYR 93 -5.160 -28.486 8.614 684 HD1 TYR 93 HD2 TYR 93 -3.000 -26.754 6.075 685 HD2 TYR 93 HD1 TYR 93 -3.202 -28.756 9.870 686 HE1 TYR 93 HE2 TYR 93 -0.613 -26.221 6.486 687 HE2 TYR 93 HE1 TYR 93 -0.818 -28.232 10.277 688 HH TYR 93 HH TYR 93 1.113 -26.457 7.857 689 H SER 94 HN SER 94 -5.926 -30.670 8.358 690 HA SER 94 HA SER 94 -3.687 -32.261 9.183 691 HB2 SER 94 HB2 SER 94 -5.454 -32.179 10.734 692 HB3 SER 94 HB1 SER 94 -6.673 -32.512 9.506 693 HG SER 94 HG SER 94 -6.405 -34.544 9.925 694 H ASN 95 HN ASN 95 -5.792 -32.477 6.444 695 HA ASN 95 HA ASN 95 -5.431 -35.333 6.008 696 HB2 ASN 95 HB2 ASN 95 -6.290 -33.155 4.078 697 HB3 ASN 95 HB1 ASN 95 -6.415 -34.889 3.789 698 HD21 ASN 95 HD21 ASN 95 -8.746 -33.221 3.824 699 HD22 ASN 95 HD22 ASN 95 -9.683 -33.641 5.175 700 H GLU 96 HN GLU 96 -3.789 -32.380 4.940 701 HA GLU 96 HA GLU 96 -1.873 -34.042 3.341 702 HB2 GLU 96 HB2 GLU 96 -1.068 -31.667 2.638 703 HB3 GLU 96 HB1 GLU 96 -2.602 -32.254 1.997 704 HG2 GLU 96 HG2 GLU 96 -3.874 -30.918 3.464 705 HG3 GLU 96 HG1 GLU 96 -2.513 -30.651 4.552 706 H TYR 97 HN TYR 97 -2.027 -31.673 5.982 707 HA TYR 97 HA TYR 97 0.710 -31.308 6.472 708 HB2 TYR 97 HB2 TYR 97 -0.968 -30.080 7.730 709 HB3 TYR 97 HB1 TYR 97 -1.573 -31.571 8.450 710 HD1 TYR 97 HD2 TYR 97 1.469 -29.417 8.185 711 HD2 TYR 97 HD1 TYR 97 -0.606 -32.438 10.427 712 HE1 TYR 97 HE2 TYR 97 3.141 -29.214 10.006 713 HE2 TYR 97 HE1 TYR 97 1.067 -32.234 12.248 714 HH TYR 97 HH TYR 97 2.668 -30.536 13.090 715 H SER 98 HN SER 98 -1.363 -34.049 7.301 716 HA SER 98 HA SER 98 0.586 -35.387 8.959 717 HB2 SER 98 HB2 SER 98 -1.847 -36.378 7.455 718 HB3 SER 98 HB1 SER 98 -0.862 -37.420 8.477 719 HG SER 98 HG SER 98 -1.347 -36.099 10.223 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -14.120 30.411 -2.406 2 H2 MET 1 HT2 MET 1 -12.932 31.552 -1.991 3 H3 MET 1 HT3 MET 1 -12.737 29.922 -1.554 4 HA MET 1 HA MET 1 -12.352 29.243 -3.748 5 HB2 MET 1 HB2 MET 1 -14.117 30.487 -4.848 6 HB3 MET 1 HB1 MET 1 -13.329 32.020 -4.475 7 HG2 MET 1 HG2 MET 1 -11.523 31.572 -5.965 8 HG3 MET 1 HG1 MET 1 -11.978 29.876 -6.123 9 HE1 MET 1 HE1 MET 1 -14.468 29.643 -8.791 10 HE2 MET 1 HE2 MET 1 -14.139 29.031 -7.173 11 HE3 MET 1 HE3 MET 1 -12.826 29.167 -8.339 12 H THR 2 HN THR 2 -11.386 31.912 -1.857 13 HA THR 2 HA THR 2 -9.119 32.859 -3.269 14 HB THR 2 HB THR 2 -9.505 34.159 -1.399 15 HG1 THR 2 HG1 THR 2 -7.810 32.239 -0.209 16 HG21 THR 2 HG21 THR 2 -9.998 33.078 0.875 17 HG22 THR 2 HG22 THR 2 -10.200 31.573 -0.018 18 HG23 THR 2 HG23 THR 2 -11.249 32.946 -0.360 19 H GLU 3 HN GLU 3 -9.304 30.288 -0.808 20 HA GLU 3 HA GLU 3 -6.556 29.459 -1.263 21 HB2 GLU 3 HB2 GLU 3 -7.041 27.686 0.297 22 HB3 GLU 3 HB1 GLU 3 -7.825 29.141 0.899 23 HG2 GLU 3 HG2 GLU 3 -9.918 28.320 -0.374 24 HG3 GLU 3 HG1 GLU 3 -9.090 26.765 -0.474 25 H ARG 4 HN ARG 4 -6.283 26.972 -1.714 26 HA ARG 4 HA ARG 4 -7.562 26.479 -4.346 27 HB2 ARG 4 HB2 ARG 4 -5.198 25.183 -2.968 28 HB3 ARG 4 HB1 ARG 4 -5.726 24.850 -4.614 29 HG2 ARG 4 HG2 ARG 4 -5.018 27.630 -3.642 30 HG3 ARG 4 HG1 ARG 4 -3.830 26.555 -4.370 31 HD2 ARG 4 HD2 ARG 4 -5.925 26.472 -6.211 32 HD3 ARG 4 HD1 ARG 4 -5.957 28.144 -5.669 33 HE ARG 4 HE ARG 4 -4.126 27.120 -7.526 34 HH11 ARG 4 HH21 ARG 4 -3.985 28.722 -4.466 35 HH12 ARG 4 HH22 ARG 4 -2.398 29.352 -4.731 36 HH21 ARG 4 HH11 ARG 4 -2.069 27.947 -7.876 37 HH22 ARG 4 HH12 ARG 4 -1.316 28.918 -6.655 38 H PHE 5 HN PHE 5 -8.790 24.632 -4.726 39 HA PHE 5 HA PHE 5 -9.394 22.912 -2.341 40 HB2 PHE 5 HB2 PHE 5 -11.182 24.498 -3.476 41 HB3 PHE 5 HB1 PHE 5 -11.273 23.217 -4.676 42 HD1 PHE 5 HD1 PHE 5 -11.425 23.872 -1.012 43 HD2 PHE 5 HD2 PHE 5 -12.545 21.271 -4.231 44 HE1 PHE 5 HE1 PHE 5 -12.851 22.578 0.538 45 HE2 PHE 5 HE2 PHE 5 -13.983 19.969 -2.679 46 HZ PHE 5 HZ PHE 5 -14.129 20.612 -0.297 47 H ASP 6 HN ASP 6 -7.326 21.894 -3.381 48 HA ASP 6 HA ASP 6 -8.261 19.690 -5.163 49 HB2 ASP 6 HB2 ASP 6 -5.810 19.843 -6.126 50 HB3 ASP 6 HB1 ASP 6 -7.067 20.903 -6.762 51 H CYS 7 HN CYS 7 -7.161 17.715 -4.827 52 HA CYS 7 HA CYS 7 -6.383 17.208 -2.146 53 HB2 CYS 7 HB2 CYS 7 -7.178 15.394 -3.429 54 HB3 CYS 7 HB1 CYS 7 -6.031 15.687 -4.717 55 H HIS 8 HN HIS 8 -4.640 18.370 -1.380 56 HA HIS 8 HA HIS 8 -2.451 19.381 -2.734 57 HB2 HIS 8 HB2 HIS 8 -3.070 19.639 -0.284 58 HB3 HIS 8 HB1 HIS 8 -2.210 18.152 0.011 59 HD2 HIS 8 HD2 HIS 8 0.520 18.506 0.343 60 HE1 HIS 8 HE1 HIS 8 0.803 22.385 -1.300 61 HE2 HIS 8 HE2 HIS 8 2.093 20.535 -0.132 62 H HIS 9 HN HIS 9 -3.088 16.029 -2.133 63 HA HIS 9 HA HIS 9 -0.248 15.297 -2.579 64 HB2 HIS 9 HB2 HIS 9 -1.404 14.037 -0.873 65 HB3 HIS 9 HB1 HIS 9 -2.699 13.621 -1.983 66 HD2 HIS 9 HD2 HIS 9 -1.395 10.952 -1.019 67 HE1 HIS 9 HE1 HIS 9 1.253 11.125 -4.304 68 HE2 HIS 9 HE2 HIS 9 0.285 9.616 -2.506 69 H CYS 10 HN CYS 10 -3.335 14.146 -4.070 70 HA CYS 10 HA CYS 10 -1.894 13.436 -6.523 71 HB2 CYS 10 HB2 CYS 10 -4.888 13.587 -6.156 72 HB3 CYS 10 HB1 CYS 10 -4.000 12.622 -7.329 73 H ASN 11 HN ASN 11 -3.103 16.253 -5.249 74 HA ASN 11 HA ASN 11 -3.612 18.354 -6.096 75 HB2 ASN 11 HB2 ASN 11 -2.176 19.158 -7.763 76 HB3 ASN 11 HB1 ASN 11 -1.270 17.804 -7.097 77 HD21 ASN 11 HD21 ASN 11 -3.372 18.733 -9.848 78 HD22 ASN 11 HD22 ASN 11 -2.786 17.539 -10.902 79 H GLU 12 HN GLU 12 -5.360 15.974 -6.830 80 HA GLU 12 HA GLU 12 -6.573 16.988 -9.363 81 HB2 GLU 12 HB2 GLU 12 -7.825 14.935 -9.421 82 HB3 GLU 12 HB1 GLU 12 -6.165 14.503 -9.013 83 HG2 GLU 12 HG2 GLU 12 -6.883 14.616 -6.568 84 HG3 GLU 12 HG1 GLU 12 -8.538 14.690 -7.144 85 H SER 13 HN SER 13 -8.523 18.075 -9.329 86 HA SER 13 HA SER 13 -9.495 19.378 -7.066 87 HB2 SER 13 HB2 SER 13 -11.421 19.916 -8.321 88 HB3 SER 13 HB1 SER 13 -10.182 19.653 -9.544 89 HG SER 13 HG SER 13 -12.056 17.725 -8.619 90 H LEU 14 HN LEU 14 -10.759 18.759 -5.303 91 HA LEU 14 HA LEU 14 -11.143 16.006 -4.692 92 HB2 LEU 14 HB2 LEU 14 -12.570 18.470 -3.682 93 HB3 LEU 14 HB1 LEU 14 -12.864 16.877 -3.034 94 HG LEU 14 HG LEU 14 -11.265 18.108 -1.670 95 HD11 LEU 14 HD11 LEU 14 -9.867 16.320 -1.301 96 HD12 LEU 14 HD12 LEU 14 -9.575 16.045 -3.016 97 HD13 LEU 14 HD13 LEU 14 -11.098 15.533 -2.285 98 HD21 LEU 14 HD21 LEU 14 -9.335 18.017 -3.961 99 HD22 LEU 14 HD22 LEU 14 -9.234 18.947 -2.469 100 HD23 LEU 14 HD23 LEU 14 -10.396 19.405 -3.711 101 H PHE 15 HN PHE 15 -12.690 14.610 -5.315 102 HA PHE 15 HA PHE 15 -14.421 15.400 -7.498 103 HB2 PHE 15 HB2 PHE 15 -14.968 12.983 -7.557 104 HB3 PHE 15 HB1 PHE 15 -13.237 13.292 -7.560 105 HD1 PHE 15 HD2 PHE 15 -11.952 13.148 -5.300 106 HD2 PHE 15 HD1 PHE 15 -15.962 11.689 -5.860 107 HE1 PHE 15 HE2 PHE 15 -11.748 11.785 -3.248 108 HE2 PHE 15 HE1 PHE 15 -15.741 10.310 -3.811 109 HZ PHE 15 HZ PHE 15 -13.636 10.361 -2.506 110 H GLY 16 HN GLY 16 -16.174 16.626 -6.812 111 HA2 GLY 16 HA2 GLY 16 -18.280 17.040 -5.848 112 HA3 GLY 16 HA1 GLY 16 -18.535 15.372 -6.328 113 H LYS 17 HN LYS 17 -16.151 15.542 -3.830 114 HA LYS 17 HA LYS 17 -18.324 15.056 -1.789 115 HB2 LYS 17 HB2 LYS 17 -17.518 12.917 -2.680 116 HB3 LYS 17 HB1 LYS 17 -15.865 13.359 -2.250 117 HG2 LYS 17 HG2 LYS 17 -16.290 13.247 0.058 118 HG3 LYS 17 HG1 LYS 17 -18.035 13.389 -0.158 119 HD2 LYS 17 HD2 LYS 17 -18.216 11.155 -0.977 120 HD3 LYS 17 HD1 LYS 17 -16.470 11.014 -1.189 121 HE2 LYS 17 HE2 LYS 17 -16.135 11.122 1.232 122 HE3 LYS 17 HE1 LYS 17 -17.864 11.362 1.483 123 HZ1 LYS 17 HZ1 LYS 17 -16.848 9.001 1.672 124 HZ2 LYS 17 HZ2 LYS 17 -16.931 9.017 -0.025 125 HZ3 LYS 17 HZ3 LYS 17 -18.343 9.212 0.900 126 H LYS 18 HN LYS 18 -17.703 15.165 0.413 127 HA LYS 18 HA LYS 18 -16.221 17.420 1.158 128 HB2 LYS 18 HB2 LYS 18 -16.133 16.392 3.444 129 HB3 LYS 18 HB1 LYS 18 -17.749 16.394 2.738 130 HG2 LYS 18 HG2 LYS 18 -17.377 14.073 1.954 131 HG3 LYS 18 HG1 LYS 18 -15.814 14.061 2.758 132 HD2 LYS 18 HD2 LYS 18 -18.262 14.787 4.361 133 HD3 LYS 18 HD1 LYS 18 -17.975 13.093 3.979 134 HE2 LYS 18 HE2 LYS 18 -16.957 13.546 6.121 135 HE3 LYS 18 HE1 LYS 18 -15.658 13.337 4.950 136 HZ1 LYS 18 HZ1 LYS 18 -15.281 15.624 4.858 137 HZ2 LYS 18 HZ2 LYS 18 -15.515 15.313 6.511 138 HZ3 LYS 18 HZ3 LYS 18 -16.764 16.004 5.588 139 H TYR 19 HN TYR 19 -14.155 17.275 2.596 140 HA TYR 19 HA TYR 19 -12.281 15.180 1.598 141 HB2 TYR 19 HB2 TYR 19 -10.680 16.866 0.889 142 HB3 TYR 19 HB1 TYR 19 -12.222 17.131 0.077 143 HD1 TYR 19 HD1 TYR 19 -13.890 18.786 1.201 144 HD2 TYR 19 HD2 TYR 19 -9.698 18.622 2.096 145 HE1 TYR 19 HE1 TYR 19 -14.007 21.072 2.145 146 HE2 TYR 19 HE2 TYR 19 -9.813 20.917 3.039 147 HH TYR 19 HH TYR 19 -11.980 23.039 2.448 148 H ILE 20 HN ILE 20 -10.281 15.109 2.813 149 HA ILE 20 HA ILE 20 -10.633 16.043 5.640 150 HB ILE 20 HB ILE 20 -8.983 13.766 4.502 151 HG12 ILE 20 HG12 ILE 20 -11.422 13.438 6.256 152 HG13 ILE 20 HG11 ILE 20 -11.630 13.670 4.523 153 HG21 ILE 20 HG21 ILE 20 -7.964 14.542 6.519 154 HG22 ILE 20 HG22 ILE 20 -8.909 13.122 6.968 155 HG23 ILE 20 HG23 ILE 20 -9.525 14.738 7.316 156 HD11 ILE 20 HD11 ILE 20 -11.515 11.261 5.159 157 HD12 ILE 20 HD12 ILE 20 -9.877 11.526 5.754 158 HD13 ILE 20 HD13 ILE 20 -10.237 11.734 4.041 159 H LEU 21 HN LEU 21 -8.954 17.203 6.617 160 HA LEU 21 HA LEU 21 -6.811 18.182 4.803 161 HB2 LEU 21 HB2 LEU 21 -7.641 19.057 7.588 162 HB3 LEU 21 HB1 LEU 21 -6.276 19.735 6.697 163 HG LEU 21 HG LEU 21 -8.361 21.108 6.528 164 HD11 LEU 21 HD11 LEU 21 -6.510 20.820 4.677 165 HD12 LEU 21 HD12 LEU 21 -7.997 21.685 4.307 166 HD13 LEU 21 HD13 LEU 21 -7.802 20.019 3.790 167 HD21 LEU 21 HD21 LEU 21 -9.828 18.956 6.462 168 HD22 LEU 21 HD22 LEU 21 -9.482 18.960 4.731 169 HD23 LEU 21 HD23 LEU 21 -10.308 20.329 5.469 170 H ARG 22 HN ARG 22 -5.008 16.983 4.795 171 HA ARG 22 HA ARG 22 -4.109 15.652 7.330 172 HB2 ARG 22 HB2 ARG 22 -4.639 14.267 5.202 173 HB3 ARG 22 HB1 ARG 22 -3.159 14.971 4.549 174 HG2 ARG 22 HG2 ARG 22 -2.471 12.931 5.526 175 HG3 ARG 22 HG1 ARG 22 -2.015 14.166 6.692 176 HD2 ARG 22 HD2 ARG 22 -4.637 13.491 7.449 177 HD3 ARG 22 HD1 ARG 22 -3.938 11.963 6.985 178 HE ARG 22 HE ARG 22 -3.453 13.233 9.430 179 HH11 ARG 22 HH21 ARG 22 -1.573 12.094 6.764 180 HH12 ARG 22 HH22 ARG 22 -0.140 11.878 7.708 181 HH21 ARG 22 HH11 ARG 22 -1.595 12.945 10.661 182 HH22 ARG 22 HH12 ARG 22 -0.152 12.354 9.908 183 H GLU 23 HN GLU 23 -2.070 16.194 8.104 184 HA GLU 23 HA GLU 23 -0.195 17.603 8.361 185 HB2 GLU 23 HB2 GLU 23 -0.095 17.009 5.384 186 HB3 GLU 23 HB1 GLU 23 1.200 17.820 6.265 187 HG2 GLU 23 HG2 GLU 23 1.568 15.898 7.660 188 HG3 GLU 23 HG1 GLU 23 0.111 15.109 7.054 189 H GLU 24 HN GLU 24 -2.810 18.781 7.899 190 HA GLU 24 HA GLU 24 -3.740 20.892 7.558 191 HB2 GLU 24 HB2 GLU 24 -0.958 21.941 7.009 192 HB3 GLU 24 HB1 GLU 24 -2.337 22.793 7.700 193 HG2 GLU 24 HG2 GLU 24 -2.206 21.088 9.629 194 HG3 GLU 24 HG1 GLU 24 -0.610 20.683 8.998 195 H SER 25 HN SER 25 -3.541 19.058 5.356 196 HA SER 25 HA SER 25 -3.671 21.019 3.161 197 HB2 SER 25 HB2 SER 25 -2.132 18.490 2.654 198 HB3 SER 25 HB1 SER 25 -2.075 20.016 1.777 199 HG SER 25 HG SER 25 -0.264 19.909 3.052 200 HA PRO 26 HA PRO 26 -7.235 18.454 2.254 201 HB2 PRO 26 HB2 PRO 26 -7.407 19.140 -0.508 202 HB3 PRO 26 HB1 PRO 26 -8.260 19.929 0.822 203 HG2 PRO 26 HG2 PRO 26 -5.945 20.900 -0.717 204 HG3 PRO 26 HG1 PRO 26 -7.019 21.801 0.359 205 HD2 PRO 26 HD2 PRO 26 -4.353 21.031 0.938 206 HD3 PRO 26 HD1 PRO 26 -5.543 21.652 2.101 207 H TYR 27 HN TYR 27 -7.187 16.311 1.887 208 HA TYR 27 HA TYR 27 -5.495 15.212 -0.341 209 HB2 TYR 27 HB2 TYR 27 -5.986 14.246 2.486 210 HB3 TYR 27 HB1 TYR 27 -5.693 13.064 1.228 211 HD1 TYR 27 HD2 TYR 27 -3.738 16.002 0.474 212 HD2 TYR 27 HD1 TYR 27 -3.905 12.565 3.032 213 HE1 TYR 27 HE2 TYR 27 -1.323 16.181 0.850 214 HE2 TYR 27 HE1 TYR 27 -1.466 12.752 3.423 215 HH TYR 27 HH TYR 27 0.303 15.462 2.714 216 H CYS 28 HN CYS 28 -6.615 13.721 -1.666 217 HA CYS 28 HA CYS 28 -9.492 13.912 -1.612 218 HB2 CYS 28 HB2 CYS 28 -9.453 12.198 -3.380 219 HB3 CYS 28 HB1 CYS 28 -8.261 13.440 -3.708 220 H VAL 29 HN VAL 29 -10.994 12.276 -0.956 221 HA VAL 29 HA VAL 29 -10.630 11.004 1.460 222 HB VAL 29 HB VAL 29 -12.180 9.719 -0.795 223 HG11 VAL 29 HG11 VAL 29 -12.745 9.995 2.162 224 HG12 VAL 29 HG12 VAL 29 -12.009 8.575 1.418 225 HG13 VAL 29 HG13 VAL 29 -13.658 9.038 0.995 226 HG21 VAL 29 HG21 VAL 29 -12.759 12.214 0.814 227 HG22 VAL 29 HG22 VAL 29 -14.038 11.276 0.043 228 HG23 VAL 29 HG23 VAL 29 -12.777 12.021 -0.939 229 H VAL 30 HN VAL 30 -10.195 9.472 -1.714 230 HA VAL 30 HA VAL 30 -9.311 6.953 -0.979 231 HB VAL 30 HB VAL 30 -7.975 8.545 -3.170 232 HG11 VAL 30 HG11 VAL 30 -8.821 5.645 -2.922 233 HG12 VAL 30 HG12 VAL 30 -7.175 6.247 -2.721 234 HG13 VAL 30 HG13 VAL 30 -7.970 6.361 -4.291 235 HG21 VAL 30 HG21 VAL 30 -10.295 9.031 -3.455 236 HG22 VAL 30 HG22 VAL 30 -10.767 7.388 -3.021 237 HG23 VAL 30 HG23 VAL 30 -9.955 7.697 -4.556 238 H CYS 31 HN CYS 31 -7.162 9.808 -1.456 239 HA CYS 31 HA CYS 31 -4.724 8.661 -0.805 240 HB2 CYS 31 HB2 CYS 31 -5.865 11.380 -0.430 241 HB3 CYS 31 HB1 CYS 31 -4.432 11.013 0.524 242 H PHE 32 HN PHE 32 -6.719 10.339 1.630 243 HA PHE 32 HA PHE 32 -5.409 9.523 3.933 244 HB2 PHE 32 HB2 PHE 32 -7.463 11.009 3.770 245 HB3 PHE 32 HB1 PHE 32 -8.429 9.538 3.682 246 HD1 PHE 32 HD1 PHE 32 -8.220 7.829 5.572 247 HD2 PHE 32 HD2 PHE 32 -6.707 11.839 5.851 248 HE1 PHE 32 HE1 PHE 32 -8.155 7.634 8.045 249 HE2 PHE 32 HE2 PHE 32 -6.640 11.646 8.321 250 HZ PHE 32 HZ PHE 32 -7.366 9.542 9.420 251 H GLU 33 HN GLU 33 -7.929 7.618 2.235 252 HA GLU 33 HA GLU 33 -7.754 5.411 4.072 253 HB2 GLU 33 HB2 GLU 33 -8.790 5.554 1.239 254 HB3 GLU 33 HB1 GLU 33 -9.046 4.204 2.345 255 HG2 GLU 33 HG2 GLU 33 -9.792 7.020 3.132 256 HG3 GLU 33 HG1 GLU 33 -10.892 6.008 2.209 257 H THR 34 HN THR 34 -6.746 5.499 0.624 258 HA THR 34 HA THR 34 -5.307 3.115 0.625 259 HB THR 34 HB THR 34 -5.818 4.858 -1.282 260 HG1 THR 34 HG1 THR 34 -4.641 3.564 -2.509 261 HG21 THR 34 HG21 THR 34 -4.189 6.528 -0.261 262 HG22 THR 34 HG22 THR 34 -3.982 6.203 -1.978 263 HG23 THR 34 HG23 THR 34 -2.898 5.460 -0.801 264 H LEU 35 HN LEU 35 -4.068 6.330 1.533 265 HA LEU 35 HA LEU 35 -1.369 5.638 1.924 266 HB2 LEU 35 HB2 LEU 35 -3.109 7.583 3.446 267 HB3 LEU 35 HB1 LEU 35 -1.363 7.488 3.637 268 HG LEU 35 HG LEU 35 -2.658 7.908 0.933 269 HD11 LEU 35 HD11 LEU 35 -1.686 10.017 2.875 270 HD12 LEU 35 HD12 LEU 35 -3.374 9.700 2.477 271 HD13 LEU 35 HD13 LEU 35 -2.276 10.308 1.239 272 HD21 LEU 35 HD21 LEU 35 -0.378 7.289 0.666 273 HD22 LEU 35 HD22 LEU 35 0.131 8.222 2.072 274 HD23 LEU 35 HD23 LEU 35 -0.353 9.047 0.594 275 H PHE 36 HN PHE 36 -3.871 5.743 4.487 276 HA PHE 36 HA PHE 36 -2.085 4.104 6.210 277 HB2 PHE 36 HB2 PHE 36 -4.761 5.135 7.099 278 HB3 PHE 36 HB1 PHE 36 -3.266 4.963 8.014 279 HD1 PHE 36 HD2 PHE 36 -1.326 6.282 6.147 280 HD2 PHE 36 HD1 PHE 36 -5.288 7.427 7.350 281 HE1 PHE 36 HE2 PHE 36 -0.783 8.649 5.677 282 HE2 PHE 36 HE1 PHE 36 -4.741 9.792 6.878 283 HZ PHE 36 HZ PHE 36 -2.488 10.406 6.041 284 H ALA 37 HN ALA 37 -4.507 3.413 4.008 285 HA ALA 37 HA ALA 37 -6.086 1.516 5.455 286 HB1 ALA 37 HB1 ALA 37 -6.936 2.135 3.338 287 HB2 ALA 37 HB2 ALA 37 -6.390 0.475 3.105 288 HB3 ALA 37 HB3 ALA 37 -5.399 1.817 2.537 289 H ASN 38 HN ASN 38 -5.942 -0.843 5.338 290 HA ASN 38 HA ASN 38 -3.155 -1.777 5.627 291 HB2 ASN 38 HB2 ASN 38 -5.861 -2.982 6.221 292 HB3 ASN 38 HB1 ASN 38 -4.375 -3.917 6.321 293 HD21 ASN 38 HD21 ASN 38 -6.441 -2.244 8.266 294 HD22 ASN 38 HD22 ASN 38 -5.357 -1.705 9.456 295 H THR 39 HN THR 39 -2.382 -3.671 4.452 296 HA THR 39 HA THR 39 -3.488 -3.803 1.704 297 HB THR 39 HB THR 39 -1.069 -5.300 2.730 298 HG1 THR 39 HG1 THR 39 0.125 -3.487 2.358 299 HG21 THR 39 HG21 THR 39 -1.806 -4.124 0.032 300 HG22 THR 39 HG22 THR 39 -1.936 -5.827 0.473 301 HG23 THR 39 HG23 THR 39 -0.352 -5.056 0.392 302 H CYS 40 HN CYS 40 -4.489 -5.606 0.861 303 HA CYS 40 HA CYS 40 -5.176 -7.794 2.753 304 HB2 CYS 40 HB2 CYS 40 -7.068 -7.018 1.542 305 HB3 CYS 40 HB1 CYS 40 -6.187 -6.970 0.020 306 H GLU 41 HN GLU 41 -3.472 -9.133 2.888 307 HA GLU 41 HA GLU 41 -1.471 -9.742 1.105 308 HB2 GLU 41 HB2 GLU 41 -2.902 -11.747 2.866 309 HB3 GLU 41 HB1 GLU 41 -1.255 -11.885 2.251 310 HG2 GLU 41 HG2 GLU 41 -0.611 -9.846 3.469 311 HG3 GLU 41 HG1 GLU 41 -2.260 -9.662 4.061 312 H GLU 42 HN GLU 42 -4.815 -10.540 0.709 313 HA GLU 42 HA GLU 42 -4.241 -12.660 -1.280 314 HB2 GLU 42 HB2 GLU 42 -6.271 -12.569 0.375 315 HB3 GLU 42 HB1 GLU 42 -6.972 -11.462 -0.804 316 HG2 GLU 42 HG2 GLU 42 -5.962 -14.254 -1.418 317 HG3 GLU 42 HG1 GLU 42 -7.656 -13.803 -1.227 318 H CYS 43 HN CYS 43 -6.103 -9.586 -1.360 319 HA CYS 43 HA CYS 43 -5.945 -9.450 -4.260 320 HB2 CYS 43 HB2 CYS 43 -6.670 -7.274 -2.273 321 HB3 CYS 43 HB1 CYS 43 -7.009 -7.260 -4.003 322 H GLY 44 HN GLY 44 -4.317 -7.795 -1.569 323 HA2 GLY 44 HA2 GLY 44 -2.030 -7.045 -1.631 324 HA3 GLY 44 HA1 GLY 44 -2.073 -7.118 -3.396 325 H LYS 45 HN LYS 45 -4.911 -5.755 -2.787 326 HA LYS 45 HA LYS 45 -3.853 -3.023 -3.171 327 HB2 LYS 45 HB2 LYS 45 -6.624 -4.220 -3.406 328 HB3 LYS 45 HB1 LYS 45 -6.288 -2.507 -3.644 329 HG2 LYS 45 HG2 LYS 45 -4.767 -3.007 -5.480 330 HG3 LYS 45 HG1 LYS 45 -4.933 -4.736 -5.187 331 HD2 LYS 45 HD2 LYS 45 -6.425 -4.398 -6.963 332 HD3 LYS 45 HD1 LYS 45 -7.494 -4.307 -5.566 333 HE2 LYS 45 HE2 LYS 45 -7.920 -2.459 -7.158 334 HE3 LYS 45 HE1 LYS 45 -7.355 -1.847 -5.605 335 HZ1 LYS 45 HZ1 LYS 45 -5.508 -2.394 -7.851 336 HZ2 LYS 45 HZ2 LYS 45 -5.223 -1.465 -6.457 337 HZ3 LYS 45 HZ3 LYS 45 -6.275 -0.893 -7.662 338 HA PRO 46 HA PRO 46 -4.603 -1.803 1.030 339 HB2 PRO 46 HB2 PRO 46 -5.918 0.704 0.341 340 HB3 PRO 46 HB1 PRO 46 -4.282 0.462 0.967 341 HG2 PRO 46 HG2 PRO 46 -5.050 1.174 -1.721 342 HG3 PRO 46 HG1 PRO 46 -3.414 0.902 -1.102 343 HD2 PRO 46 HD2 PRO 46 -4.918 -0.801 -2.870 344 HD3 PRO 46 HD1 PRO 46 -3.299 -1.087 -2.204 345 H ILE 47 HN ILE 47 -6.314 -2.017 2.509 346 HA ILE 47 HA ILE 47 -9.006 -2.558 1.350 347 HB ILE 47 HB ILE 47 -8.063 -3.061 4.191 348 HG12 ILE 47 HG12 ILE 47 -8.008 -4.922 1.792 349 HG13 ILE 47 HG11 ILE 47 -6.595 -4.247 2.593 350 HG21 ILE 47 HG21 ILE 47 -9.935 -4.677 4.182 351 HG22 ILE 47 HG22 ILE 47 -10.303 -4.243 2.517 352 HG23 ILE 47 HG23 ILE 47 -10.510 -3.057 3.799 353 HD11 ILE 47 HD11 ILE 47 -8.379 -6.456 3.457 354 HD12 ILE 47 HD12 ILE 47 -7.837 -5.369 4.734 355 HD13 ILE 47 HD13 ILE 47 -6.656 -6.225 3.743 356 H GLY 48 HN GLY 48 -10.090 -0.626 1.208 357 HA2 GLY 48 HA2 GLY 48 -9.679 1.589 2.985 358 HA3 GLY 48 HA1 GLY 48 -11.041 1.420 1.883 359 H CYS 49 HN CYS 49 -11.081 2.397 4.615 360 HA CYS 49 HA CYS 49 -12.189 0.364 6.345 361 HB2 CYS 49 HB2 CYS 49 -12.697 2.168 7.820 362 HB3 CYS 49 HB1 CYS 49 -11.198 2.629 7.016 363 HG CYS 49 HG CYS 49 -13.966 3.742 6.063 364 H ASP 50 HN ASP 50 -13.348 2.088 3.654 365 HA ASP 50 HA ASP 50 -16.163 2.143 4.334 366 HB2 ASP 50 HB2 ASP 50 -16.496 2.706 1.987 367 HB3 ASP 50 HB1 ASP 50 -15.096 3.594 2.587 368 H CYS 51 HN CYS 51 -14.439 -0.460 4.380 369 HA CYS 51 HA CYS 51 -16.562 -2.161 3.185 370 HB2 CYS 51 HB2 CYS 51 -13.610 -2.528 2.582 371 HB3 CYS 51 HB1 CYS 51 -14.920 -3.576 2.038 372 HG CYS 51 HG CYS 51 -15.643 -1.849 0.350 373 H LYS 52 HN LYS 52 -15.806 -4.597 3.719 374 HA LYS 52 HA LYS 52 -15.507 -4.648 6.637 375 HB2 LYS 52 HB2 LYS 52 -15.617 -7.251 6.031 376 HB3 LYS 52 HB1 LYS 52 -17.066 -6.250 6.048 377 HG2 LYS 52 HG2 LYS 52 -15.482 -6.387 3.495 378 HG3 LYS 52 HG1 LYS 52 -16.462 -7.773 3.945 379 HD2 LYS 52 HD2 LYS 52 -18.475 -6.563 3.863 380 HD3 LYS 52 HD1 LYS 52 -17.656 -5.009 3.989 381 HE2 LYS 52 HE2 LYS 52 -18.550 -5.657 1.667 382 HE3 LYS 52 HE1 LYS 52 -16.873 -5.118 1.747 383 HZ1 LYS 52 HZ1 LYS 52 -17.247 -7.182 0.431 384 HZ2 LYS 52 HZ2 LYS 52 -17.684 -7.968 1.873 385 HZ3 LYS 52 HZ3 LYS 52 -16.114 -7.346 1.682 386 H ASP 53 HN ASP 53 -13.434 -4.386 7.359 387 HA ASP 53 HA ASP 53 -11.198 -5.681 5.876 388 HB2 ASP 53 HB2 ASP 53 -9.771 -4.349 7.459 389 HB3 ASP 53 HB1 ASP 53 -10.833 -3.354 6.461 390 H LEU 54 HN LEU 54 -11.136 -7.829 6.489 391 HA LEU 54 HA LEU 54 -11.716 -8.681 9.183 392 HB2 LEU 54 HB2 LEU 54 -11.735 -9.954 6.811 393 HB3 LEU 54 HB1 LEU 54 -10.109 -10.386 7.292 394 HG LEU 54 HG LEU 54 -12.685 -11.488 8.194 395 HD11 LEU 54 HD11 LEU 54 -11.162 -13.330 8.987 396 HD12 LEU 54 HD12 LEU 54 -9.807 -12.362 8.413 397 HD13 LEU 54 HD13 LEU 54 -11.037 -12.921 7.282 398 HD21 LEU 54 HD21 LEU 54 -12.554 -10.417 10.288 399 HD22 LEU 54 HD22 LEU 54 -10.794 -10.502 10.327 400 HD23 LEU 54 HD23 LEU 54 -11.749 -11.951 10.579 401 H SER 55 HN SER 55 -10.293 -8.570 10.889 402 HA SER 55 HA SER 55 -7.365 -8.252 10.288 403 HB2 SER 55 HB2 SER 55 -7.174 -6.953 12.254 404 HB3 SER 55 HB1 SER 55 -8.680 -6.403 11.525 405 HG SER 55 HG SER 55 -8.289 -7.490 13.921 406 H TYR 56 HN TYR 56 -6.076 -9.928 10.906 407 HA TYR 56 HA TYR 56 -6.774 -11.534 13.284 408 HB2 TYR 56 HB2 TYR 56 -7.809 -12.469 10.997 409 HB3 TYR 56 HB1 TYR 56 -6.183 -13.112 10.793 410 HD1 TYR 56 HD1 TYR 56 -5.192 -14.498 12.680 411 HD2 TYR 56 HD2 TYR 56 -9.355 -13.519 12.467 412 HE1 TYR 56 HE1 TYR 56 -5.695 -16.344 14.258 413 HE2 TYR 56 HE2 TYR 56 -9.868 -15.361 14.046 414 HH TYR 56 HH TYR 56 -7.883 -17.827 14.704 415 H LYS 57 HN LYS 57 -4.924 -12.286 14.291 416 HA LYS 57 HA LYS 57 -2.632 -12.308 14.789 417 HB2 LYS 57 HB2 LYS 57 -2.968 -14.253 13.186 418 HB3 LYS 57 HB1 LYS 57 -2.354 -13.207 11.915 419 HG2 LYS 57 HG2 LYS 57 -0.242 -12.925 13.119 420 HG3 LYS 57 HG1 LYS 57 -0.862 -13.850 14.481 421 HD2 LYS 57 HD2 LYS 57 -0.930 -15.186 11.794 422 HD3 LYS 57 HD1 LYS 57 0.651 -14.974 12.539 423 HE2 LYS 57 HE2 LYS 57 -0.675 -17.155 13.051 424 HE3 LYS 57 HE1 LYS 57 0.108 -16.316 14.389 425 HZ1 LYS 57 HZ1 LYS 57 -2.042 -15.174 14.783 426 HZ2 LYS 57 HZ2 LYS 57 -2.103 -16.853 15.033 427 HZ3 LYS 57 HZ3 LYS 57 -2.753 -16.178 13.616 428 H ASP 58 HN ASP 58 -3.331 -9.760 14.331 429 HA ASP 58 HA ASP 58 -2.523 -7.661 13.679 430 HB2 ASP 58 HB2 ASP 58 -0.519 -8.612 14.839 431 HB3 ASP 58 HB1 ASP 58 0.066 -9.178 13.274 432 H ARG 59 HN ARG 59 -3.226 -9.864 11.498 433 HA ARG 59 HA ARG 59 -2.016 -8.399 9.174 434 HB2 ARG 59 HB2 ARG 59 -3.121 -11.213 9.389 435 HB3 ARG 59 HB1 ARG 59 -2.664 -10.449 7.871 436 HG2 ARG 59 HG2 ARG 59 -0.387 -10.286 8.513 437 HG3 ARG 59 HG1 ARG 59 -0.751 -10.637 10.197 438 HD2 ARG 59 HD2 ARG 59 -1.494 -12.910 9.546 439 HD3 ARG 59 HD1 ARG 59 -1.052 -12.557 7.878 440 HE ARG 59 HE ARG 59 1.270 -12.038 9.293 441 HH11 ARG 59 HH21 ARG 59 -0.959 -14.655 9.020 442 HH12 ARG 59 HH22 ARG 59 0.233 -15.876 9.318 443 HH21 ARG 59 HH11 ARG 59 2.839 -13.617 9.684 444 HH22 ARG 59 HH12 ARG 59 2.383 -15.288 9.695 445 H HIS 60 HN HIS 60 -3.545 -8.278 7.260 446 HA HIS 60 HA HIS 60 -6.376 -7.858 8.185 447 HB2 HIS 60 HB2 HIS 60 -4.704 -6.208 6.279 448 HB3 HIS 60 HB1 HIS 60 -6.446 -6.023 6.466 449 HD2 HIS 60 HD2 HIS 60 -7.271 -4.813 8.900 450 HE1 HIS 60 HE1 HIS 60 -3.384 -4.034 10.352 451 HE2 HIS 60 HE2 HIS 60 -5.858 -3.600 10.730 452 H TRP 61 HN TRP 61 -8.011 -8.339 6.653 453 HA TRP 61 HA TRP 61 -7.304 -9.462 4.033 454 HB2 TRP 61 HB2 TRP 61 -7.946 -11.152 6.420 455 HB3 TRP 61 HB1 TRP 61 -8.737 -11.613 4.919 456 HD1 TRP 61 HD1 TRP 61 -6.798 -11.578 2.738 457 HE1 TRP 61 HE1 TRP 61 -4.567 -12.872 2.758 458 HE3 TRP 61 HE3 TRP 61 -6.139 -12.145 7.776 459 HZ2 TRP 61 HZ2 TRP 61 -2.740 -13.983 4.649 460 HZ3 TRP 61 HZ3 TRP 61 -4.139 -13.319 8.655 461 HH2 TRP 61 HH2 TRP 61 -2.445 -14.242 7.098 462 H HIS 62 HN HIS 62 -9.193 -9.613 2.685 463 HA HIS 62 HA HIS 62 -11.492 -8.043 3.589 464 HB2 HIS 62 HB2 HIS 62 -10.953 -9.697 1.105 465 HB3 HIS 62 HB1 HIS 62 -12.502 -8.931 1.388 466 HD2 HIS 62 HD2 HIS 62 -12.077 -5.959 1.891 467 HE1 HIS 62 HE1 HIS 62 -8.886 -5.906 -0.870 468 HE2 HIS 62 HE2 HIS 62 -10.539 -4.465 0.404 469 H GLU 63 HN GLU 63 -13.265 -8.980 4.675 470 HA GLU 63 HA GLU 63 -13.316 -11.478 5.833 471 HB2 GLU 63 HB2 GLU 63 -15.567 -9.759 4.789 472 HB3 GLU 63 HB1 GLU 63 -15.922 -11.320 5.525 473 HG2 GLU 63 HG2 GLU 63 -14.733 -10.637 7.568 474 HG3 GLU 63 HG1 GLU 63 -14.359 -9.076 6.839 475 H ALA 64 HN ALA 64 -13.934 -10.778 2.449 476 HA ALA 64 HA ALA 64 -14.961 -13.501 1.923 477 HB1 ALA 64 HB1 ALA 64 -15.880 -11.475 0.763 478 HB2 ALA 64 HB2 ALA 64 -15.312 -12.729 -0.339 479 HB3 ALA 64 HB3 ALA 64 -14.326 -11.295 -0.050 480 H CYS 65 HN CYS 65 -11.901 -11.827 1.782 481 HA CYS 65 HA CYS 65 -10.729 -13.661 -0.183 482 HB2 CYS 65 HB2 CYS 65 -9.615 -11.507 1.602 483 HB3 CYS 65 HB1 CYS 65 -8.555 -12.573 0.687 484 H PHE 66 HN PHE 66 -10.935 -13.463 3.307 485 HA PHE 66 HA PHE 66 -8.915 -15.473 3.813 486 HB2 PHE 66 HB2 PHE 66 -10.057 -13.639 5.354 487 HB3 PHE 66 HB1 PHE 66 -11.192 -14.935 5.705 488 HD1 PHE 66 HD2 PHE 66 -9.850 -17.326 6.009 489 HD2 PHE 66 HD1 PHE 66 -8.339 -13.420 6.907 490 HE1 PHE 66 HE2 PHE 66 -8.230 -18.326 7.581 491 HE2 PHE 66 HE1 PHE 66 -6.703 -14.416 8.485 492 HZ PHE 66 HZ PHE 66 -6.648 -16.874 8.816 493 H HIS 67 HN HIS 67 -9.298 -17.441 2.790 494 HA HIS 67 HA HIS 67 -11.669 -18.941 3.678 495 HB2 HIS 67 HB2 HIS 67 -12.157 -19.589 1.249 496 HB3 HIS 67 HB1 HIS 67 -12.614 -17.956 1.724 497 HD2 HIS 67 HD2 HIS 67 -12.158 -17.165 -1.043 498 HE1 HIS 67 HE1 HIS 67 -7.957 -17.473 -0.758 499 HE2 HIS 67 HE2 HIS 67 -9.875 -16.612 -2.183 500 H CYS 68 HN CYS 68 -11.594 -21.249 2.643 501 HA CYS 68 HA CYS 68 -8.895 -22.301 3.133 502 HB2 CYS 68 HB2 CYS 68 -10.666 -23.630 4.044 503 HB3 CYS 68 HB1 CYS 68 -11.576 -23.579 2.545 504 H SER 69 HN SER 69 -7.591 -23.302 1.540 505 HA SER 69 HA SER 69 -7.951 -22.335 -1.161 506 HB2 SER 69 HB2 SER 69 -5.747 -22.878 0.063 507 HB3 SER 69 HB1 SER 69 -6.074 -24.557 -0.347 508 HG SER 69 HG SER 69 -5.478 -24.136 -2.312 509 H GLN 70 HN GLN 70 -8.893 -25.272 0.485 510 HA GLN 70 HA GLN 70 -9.422 -26.656 -2.102 511 HB2 GLN 70 HB2 GLN 70 -9.819 -27.725 0.701 512 HB3 GLN 70 HB1 GLN 70 -9.731 -28.651 -0.796 513 HG2 GLN 70 HG2 GLN 70 -7.435 -26.918 0.108 514 HG3 GLN 70 HG1 GLN 70 -7.605 -28.571 0.677 515 HE21 GLN 70 HE21 GLN 70 -6.041 -26.806 -1.614 516 HE22 GLN 70 HE22 GLN 70 -5.910 -27.965 -2.840 517 H CYS 71 HN CYS 71 -11.172 -25.815 0.895 518 HA CYS 71 HA CYS 71 -13.746 -26.454 -0.436 519 HB2 CYS 71 HB2 CYS 71 -13.502 -25.287 2.333 520 HB3 CYS 71 HB1 CYS 71 -14.723 -26.388 1.692 521 H ARG 72 HN ARG 72 -11.771 -23.776 -0.306 522 HA ARG 72 HA ARG 72 -12.153 -21.478 -0.541 523 HB2 ARG 72 HB2 ARG 72 -13.036 -22.596 -2.691 524 HB3 ARG 72 HB1 ARG 72 -14.644 -22.334 -2.018 525 HG2 ARG 72 HG2 ARG 72 -14.405 -19.975 -2.057 526 HG3 ARG 72 HG1 ARG 72 -12.656 -20.067 -2.261 527 HD2 ARG 72 HD2 ARG 72 -12.916 -20.987 -4.495 528 HD3 ARG 72 HD1 ARG 72 -14.668 -21.041 -4.301 529 HE ARG 72 HE ARG 72 -14.043 -18.377 -3.871 530 HH11 ARG 72 HH21 ARG 72 -13.405 -20.730 -6.308 531 HH12 ARG 72 HH22 ARG 72 -13.348 -19.574 -7.597 532 HH21 ARG 72 HH11 ARG 72 -13.971 -16.854 -5.540 533 HH22 ARG 72 HH12 ARG 72 -13.669 -17.380 -7.162 534 H ASN 73 HN ASN 73 -13.669 -23.051 1.655 535 HA ASN 73 HA ASN 73 -16.114 -21.573 2.116 536 HB2 ASN 73 HB2 ASN 73 -14.286 -23.285 3.792 537 HB3 ASN 73 HB1 ASN 73 -15.534 -22.327 4.591 538 HD21 ASN 73 HD21 ASN 73 -17.586 -23.239 4.679 539 HD22 ASN 73 HD22 ASN 73 -18.110 -24.540 3.728 540 H SER 74 HN SER 74 -16.347 -19.785 3.634 541 HA SER 74 HA SER 74 -13.961 -18.035 3.632 542 HB2 SER 74 HB2 SER 74 -16.828 -17.602 4.512 543 HB3 SER 74 HB1 SER 74 -15.572 -16.375 4.654 544 HG SER 74 HG SER 74 -16.266 -15.952 2.687 545 H LEU 75 HN LEU 75 -12.532 -18.826 5.229 546 HA LEU 75 HA LEU 75 -13.567 -19.580 7.868 547 HB2 LEU 75 HB2 LEU 75 -10.666 -19.061 7.268 548 HB3 LEU 75 HB1 LEU 75 -11.362 -20.175 8.428 549 HG LEU 75 HG LEU 75 -11.865 -20.563 5.468 550 HD11 LEU 75 HD11 LEU 75 -9.535 -21.783 6.935 551 HD12 LEU 75 HD12 LEU 75 -9.370 -20.344 5.930 552 HD13 LEU 75 HD13 LEU 75 -9.899 -21.856 5.218 553 HD21 LEU 75 HD21 LEU 75 -11.590 -22.492 7.779 554 HD22 LEU 75 HD22 LEU 75 -12.153 -22.868 6.151 555 HD23 LEU 75 HD23 LEU 75 -13.126 -21.842 7.206 556 H VAL 76 HN VAL 76 -14.159 -17.994 9.242 557 HA VAL 76 HA VAL 76 -12.357 -15.657 9.592 558 HB VAL 76 HB VAL 76 -15.354 -15.542 9.101 559 HG11 VAL 76 HG11 VAL 76 -15.005 -14.111 10.975 560 HG12 VAL 76 HG12 VAL 76 -14.985 -13.048 9.568 561 HG13 VAL 76 HG13 VAL 76 -13.470 -13.526 10.334 562 HG21 VAL 76 HG21 VAL 76 -14.030 -15.447 7.072 563 HG22 VAL 76 HG22 VAL 76 -12.924 -14.279 7.791 564 HG23 VAL 76 HG23 VAL 76 -14.583 -13.810 7.424 565 H ASP 77 HN ASP 77 -12.047 -15.308 11.785 566 HA ASP 77 HA ASP 77 -12.131 -15.868 14.064 567 HB2 ASP 77 HB2 ASP 77 -14.161 -15.340 15.132 568 HB3 ASP 77 HB1 ASP 77 -14.243 -14.411 13.639 569 H LYS 78 HN LYS 78 -12.533 -18.014 11.820 570 HA LYS 78 HA LYS 78 -13.532 -20.222 13.576 571 HB2 LYS 78 HB2 LYS 78 -13.600 -19.685 10.627 572 HB3 LYS 78 HB1 LYS 78 -13.441 -21.367 11.121 573 HG2 LYS 78 HG2 LYS 78 -15.500 -21.322 12.313 574 HG3 LYS 78 HG1 LYS 78 -15.570 -19.560 12.281 575 HD2 LYS 78 HD2 LYS 78 -17.116 -20.636 10.628 576 HD3 LYS 78 HD1 LYS 78 -15.933 -19.566 9.878 577 HE2 LYS 78 HE2 LYS 78 -14.622 -21.376 9.093 578 HE3 LYS 78 HE1 LYS 78 -15.411 -22.526 10.174 579 HZ1 LYS 78 HZ1 LYS 78 -16.243 -22.787 7.947 580 HZ2 LYS 78 HZ2 LYS 78 -16.659 -21.141 7.862 581 HZ3 LYS 78 HZ3 LYS 78 -17.478 -22.173 8.935 582 HA PRO 79 HA PRO 79 -9.380 -21.738 13.750 583 HB2 PRO 79 HB2 PRO 79 -9.862 -24.512 13.378 584 HB3 PRO 79 HB1 PRO 79 -9.833 -23.656 14.924 585 HG2 PRO 79 HG2 PRO 79 -12.159 -24.663 13.408 586 HG3 PRO 79 HG1 PRO 79 -12.064 -24.185 15.111 587 HD2 PRO 79 HD2 PRO 79 -13.294 -22.689 13.043 588 HD3 PRO 79 HD1 PRO 79 -12.869 -22.089 14.660 589 H PHE 80 HN PHE 80 -7.745 -21.952 12.216 590 HA PHE 80 HA PHE 80 -8.269 -23.368 9.675 591 HB2 PHE 80 HB2 PHE 80 -7.463 -21.445 8.304 592 HB3 PHE 80 HB1 PHE 80 -9.004 -21.108 9.103 593 HD1 PHE 80 HD1 PHE 80 -5.301 -20.595 9.383 594 HD2 PHE 80 HD2 PHE 80 -9.200 -19.278 10.598 595 HE1 PHE 80 HE1 PHE 80 -4.295 -18.619 10.493 596 HE2 PHE 80 HE2 PHE 80 -8.194 -17.307 11.711 597 HZ PHE 80 HZ PHE 80 -5.736 -16.974 11.656 598 H ALA 81 HN ALA 81 -6.316 -23.902 8.564 599 HA ALA 81 HA ALA 81 -3.918 -23.829 10.325 600 HB1 ALA 81 HB1 ALA 81 -4.804 -25.965 9.147 601 HB2 ALA 81 HB2 ALA 81 -3.076 -25.628 9.037 602 HB3 ALA 81 HB3 ALA 81 -4.134 -25.265 7.673 603 H ALA 82 HN ALA 82 -2.611 -22.118 9.995 604 HA ALA 82 HA ALA 82 -2.731 -20.568 7.524 605 HB1 ALA 82 HB1 ALA 82 -2.311 -19.686 9.918 606 HB2 ALA 82 HB2 ALA 82 -1.321 -19.017 8.623 607 HB3 ALA 82 HB3 ALA 82 -0.656 -20.248 9.698 608 H LYS 83 HN LYS 83 -1.825 -21.556 5.777 609 HA LYS 83 HA LYS 83 0.737 -23.020 6.055 610 HB2 LYS 83 HB2 LYS 83 -0.921 -24.099 4.668 611 HB3 LYS 83 HB1 LYS 83 -1.162 -22.634 3.727 612 HG2 LYS 83 HG2 LYS 83 0.910 -22.815 2.645 613 HG3 LYS 83 HG1 LYS 83 1.572 -23.883 3.885 614 HD2 LYS 83 HD2 LYS 83 0.152 -25.706 3.162 615 HD3 LYS 83 HD1 LYS 83 -0.707 -24.649 2.041 616 HE2 LYS 83 HE2 LYS 83 0.979 -26.022 0.861 617 HE3 LYS 83 HE1 LYS 83 1.366 -24.304 0.758 618 HZ1 LYS 83 HZ1 LYS 83 3.046 -24.507 2.327 619 HZ2 LYS 83 HZ2 LYS 83 3.223 -25.912 1.388 620 HZ3 LYS 83 HZ3 LYS 83 2.474 -25.993 2.910 621 H GLU 84 HN GLU 84 2.505 -22.446 4.528 622 HA GLU 84 HA GLU 84 3.592 -19.987 4.833 623 HB2 GLU 84 HB2 GLU 84 3.687 -21.765 2.395 624 HB3 GLU 84 HB1 GLU 84 4.679 -20.316 2.537 625 HG2 GLU 84 HG2 GLU 84 5.625 -21.187 4.659 626 HG3 GLU 84 HG1 GLU 84 4.665 -22.654 4.467 627 H ASP 85 HN ASP 85 1.635 -20.685 1.875 628 HA ASP 85 HA ASP 85 1.010 -17.744 1.765 629 HB2 ASP 85 HB2 ASP 85 1.852 -19.709 -0.351 630 HB3 ASP 85 HB1 ASP 85 0.808 -18.367 -0.803 631 H GLN 86 HN GLN 86 -0.367 -20.684 2.407 632 HA GLN 86 HA GLN 86 -2.999 -19.828 1.220 633 HB2 GLN 86 HB2 GLN 86 -2.140 -22.693 1.637 634 HB3 GLN 86 HB1 GLN 86 -3.547 -22.106 0.760 635 HG2 GLN 86 HG2 GLN 86 -0.729 -21.391 -0.076 636 HG3 GLN 86 HG1 GLN 86 -1.542 -22.841 -0.639 637 HE21 GLN 86 HE21 GLN 86 -3.949 -20.581 -0.129 638 HE22 GLN 86 HE22 GLN 86 -4.059 -19.943 -1.698 639 H LEU 87 HN LEU 87 -4.851 -20.942 2.290 640 HA LEU 87 HA LEU 87 -4.446 -21.385 5.209 641 HB2 LEU 87 HB2 LEU 87 -6.464 -19.600 3.818 642 HB3 LEU 87 HB1 LEU 87 -6.817 -20.299 5.397 643 HG LEU 87 HG LEU 87 -4.179 -18.904 5.000 644 HD11 LEU 87 HD11 LEU 87 -6.871 -17.576 5.252 645 HD12 LEU 87 HD12 LEU 87 -5.536 -17.169 4.176 646 HD13 LEU 87 HD13 LEU 87 -5.421 -16.806 5.898 647 HD21 LEU 87 HD21 LEU 87 -4.219 -18.671 7.322 648 HD22 LEU 87 HD22 LEU 87 -5.014 -20.226 7.097 649 HD23 LEU 87 HD23 LEU 87 -5.973 -18.786 7.408 650 H LEU 88 HN LEU 88 -5.494 -23.216 5.904 651 HA LEU 88 HA LEU 88 -7.467 -24.510 4.043 652 HB2 LEU 88 HB2 LEU 88 -5.051 -25.722 5.408 653 HB3 LEU 88 HB1 LEU 88 -6.338 -26.690 4.697 654 HG LEU 88 HG LEU 88 -5.058 -24.548 3.009 655 HD11 LEU 88 HD11 LEU 88 -3.099 -25.648 3.852 656 HD12 LEU 88 HD12 LEU 88 -3.396 -26.275 2.230 657 HD13 LEU 88 HD13 LEU 88 -3.834 -27.238 3.641 658 HD21 LEU 88 HD21 LEU 88 -5.525 -26.208 1.229 659 HD22 LEU 88 HD22 LEU 88 -6.980 -25.770 2.125 660 HD23 LEU 88 HD23 LEU 88 -6.175 -27.307 2.445 661 H CYS 89 HN CYS 89 -8.731 -26.246 5.198 662 HA CYS 89 HA CYS 89 -9.539 -25.265 7.855 663 HB2 CYS 89 HB2 CYS 89 -10.601 -27.733 6.456 664 HB3 CYS 89 HB1 CYS 89 -11.405 -26.734 7.662 665 H THR 90 HN THR 90 -9.082 -26.371 9.781 666 HA THR 90 HA THR 90 -6.813 -27.977 10.015 667 HB THR 90 HB THR 90 -7.443 -28.336 12.226 668 HG1 THR 90 HG1 THR 90 -10.103 -28.273 12.196 669 HG21 THR 90 HG21 THR 90 -8.571 -26.423 13.016 670 HG22 THR 90 HG22 THR 90 -9.600 -26.330 11.587 671 HG23 THR 90 HG23 THR 90 -7.892 -25.901 11.474 672 H ASP 91 HN ASP 91 -9.818 -28.803 8.638 673 HA ASP 91 HA ASP 91 -9.523 -31.710 9.002 674 HB2 ASP 91 HB2 ASP 91 -11.425 -30.041 7.345 675 HB3 ASP 91 HB1 ASP 91 -11.489 -31.799 7.440 676 H CYS 92 HN CYS 92 -9.186 -29.319 6.383 677 HA CYS 92 HA CYS 92 -8.230 -31.339 4.493 678 HB2 CYS 92 HB2 CYS 92 -7.830 -28.376 4.105 679 HB3 CYS 92 HB1 CYS 92 -8.197 -29.614 2.905 680 H TYR 93 HN TYR 93 -6.832 -28.867 6.591 681 HA TYR 93 HA TYR 93 -4.155 -29.013 5.629 682 HB2 TYR 93 HB2 TYR 93 -5.116 -27.333 7.275 683 HB3 TYR 93 HB1 TYR 93 -4.975 -28.581 8.507 684 HD1 TYR 93 HD2 TYR 93 -2.946 -26.864 5.855 685 HD2 TYR 93 HD1 TYR 93 -2.957 -28.852 9.663 686 HE1 TYR 93 HE2 TYR 93 -0.536 -26.355 6.130 687 HE2 TYR 93 HE1 TYR 93 -0.549 -28.349 9.935 688 HH TYR 93 HH TYR 93 1.153 -26.245 7.694 689 H SER 94 HN SER 94 -5.747 -30.738 8.295 690 HA SER 94 HA SER 94 -3.470 -32.363 8.950 691 HB2 SER 94 HB2 SER 94 -6.416 -32.895 9.433 692 HB3 SER 94 HB1 SER 94 -5.083 -33.734 10.220 693 HG SER 94 HG SER 94 -6.126 -31.788 11.273 694 H ASN 95 HN ASN 95 -5.879 -32.581 6.461 695 HA ASN 95 HA ASN 95 -5.649 -35.422 5.968 696 HB2 ASN 95 HB2 ASN 95 -6.653 -33.083 4.341 697 HB3 ASN 95 HB1 ASN 95 -6.593 -34.710 3.668 698 HD21 ASN 95 HD21 ASN 95 -7.130 -34.674 7.073 699 HD22 ASN 95 HD22 ASN 95 -8.806 -34.939 7.035 700 H GLU 96 HN GLU 96 -3.951 -32.564 4.788 701 HA GLU 96 HA GLU 96 -2.212 -34.305 3.076 702 HB2 GLU 96 HB2 GLU 96 -1.513 -32.158 2.018 703 HB3 GLU 96 HB1 GLU 96 -3.238 -32.472 1.866 704 HG2 GLU 96 HG2 GLU 96 -3.413 -30.299 2.615 705 HG3 GLU 96 HG1 GLU 96 -3.262 -31.055 4.195 706 H TYR 97 HN TYR 97 -2.102 -31.824 5.622 707 HA TYR 97 HA TYR 97 0.655 -31.447 5.855 708 HB2 TYR 97 HB2 TYR 97 -0.892 -30.233 7.279 709 HB3 TYR 97 HB1 TYR 97 -1.413 -31.728 8.053 710 HD1 TYR 97 HD2 TYR 97 1.625 -29.627 7.450 711 HD2 TYR 97 HD1 TYR 97 -0.306 -32.517 9.974 712 HE1 TYR 97 HE2 TYR 97 3.463 -29.413 9.102 713 HE2 TYR 97 HE1 TYR 97 1.532 -32.303 11.625 714 HH TYR 97 HH TYR 97 3.366 -30.092 12.056 715 H SER 98 HN SER 98 -1.285 -34.198 6.961 716 HA SER 98 HA SER 98 0.682 -35.536 8.495 717 HB2 SER 98 HB2 SER 98 -1.295 -36.927 6.678 718 HB3 SER 98 HB1 SER 98 -0.623 -37.517 8.195 719 HG SER 98 HG SER 98 -2.810 -36.059 7.799 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -10.988 30.822 -4.102 2 H2 MET 1 HT2 MET 1 -11.776 31.774 -5.268 3 H3 MET 1 HT3 MET 1 -12.495 30.338 -4.712 4 HA MET 1 HA MET 1 -13.063 32.796 -3.780 5 HB2 MET 1 HB2 MET 1 -13.237 30.073 -2.466 6 HB3 MET 1 HB1 MET 1 -14.024 31.509 -1.809 7 HG2 MET 1 HG2 MET 1 -14.444 30.599 -4.661 8 HG3 MET 1 HG1 MET 1 -15.465 30.047 -3.333 9 HE1 MET 1 HE1 MET 1 -16.044 32.187 -6.154 10 HE2 MET 1 HE2 MET 1 -17.563 32.612 -5.369 11 HE3 MET 1 HE3 MET 1 -16.974 30.953 -5.293 12 H THR 2 HN THR 2 -12.510 31.364 -0.860 13 HA THR 2 HA THR 2 -10.413 33.312 -0.203 14 HB THR 2 HB THR 2 -12.287 33.001 1.349 15 HG1 THR 2 HG1 THR 2 -10.949 32.435 3.214 16 HG21 THR 2 HG21 THR 2 -11.261 30.261 2.033 17 HG22 THR 2 HG22 THR 2 -12.405 30.451 0.703 18 HG23 THR 2 HG23 THR 2 -12.852 30.958 2.331 19 H GLU 3 HN GLU 3 -10.798 29.778 0.167 20 HA GLU 3 HA GLU 3 -7.811 29.518 0.154 21 HB2 GLU 3 HB2 GLU 3 -8.136 27.489 1.430 22 HB3 GLU 3 HB1 GLU 3 -9.013 28.785 2.233 23 HG2 GLU 3 HG2 GLU 3 -11.058 28.006 0.875 24 HG3 GLU 3 HG1 GLU 3 -10.124 26.550 0.528 25 H ARG 4 HN ARG 4 -7.304 27.111 -0.557 26 HA ARG 4 HA ARG 4 -8.484 26.810 -3.267 27 HB2 ARG 4 HB2 ARG 4 -6.003 25.638 -1.985 28 HB3 ARG 4 HB1 ARG 4 -6.478 25.412 -3.665 29 HG2 ARG 4 HG2 ARG 4 -6.103 28.147 -2.419 30 HG3 ARG 4 HG1 ARG 4 -4.784 27.293 -3.210 31 HD2 ARG 4 HD2 ARG 4 -6.752 27.127 -5.139 32 HD3 ARG 4 HD1 ARG 4 -7.113 28.689 -4.414 33 HE ARG 4 HE ARG 4 -5.033 28.219 -6.248 34 HH11 ARG 4 HH21 ARG 4 -5.402 29.539 -3.077 35 HH12 ARG 4 HH22 ARG 4 -3.932 30.444 -3.148 36 HH21 ARG 4 HH11 ARG 4 -3.130 29.409 -6.351 37 HH22 ARG 4 HH12 ARG 4 -2.651 30.376 -4.997 38 H PHE 5 HN PHE 5 -9.444 24.851 -3.899 39 HA PHE 5 HA PHE 5 -9.942 22.868 -1.701 40 HB2 PHE 5 HB2 PHE 5 -11.837 24.366 -2.787 41 HB3 PHE 5 HB1 PHE 5 -11.755 23.183 -4.084 42 HD1 PHE 5 HD1 PHE 5 -12.048 23.482 -0.375 43 HD2 PHE 5 HD2 PHE 5 -12.909 21.141 -3.863 44 HE1 PHE 5 HE1 PHE 5 -13.407 21.942 1.001 45 HE2 PHE 5 HE2 PHE 5 -14.278 19.592 -2.483 46 HZ PHE 5 HZ PHE 5 -14.521 19.987 -0.056 47 H ASP 6 HN ASP 6 -7.736 22.159 -2.728 48 HA ASP 6 HA ASP 6 -8.370 20.060 -4.767 49 HB2 ASP 6 HB2 ASP 6 -5.727 21.532 -4.757 50 HB3 ASP 6 HB1 ASP 6 -6.405 20.502 -6.020 51 H CYS 7 HN CYS 7 -7.214 18.134 -4.503 52 HA CYS 7 HA CYS 7 -6.489 17.436 -1.852 53 HB2 CYS 7 HB2 CYS 7 -7.090 15.687 -3.320 54 HB3 CYS 7 HB1 CYS 7 -5.934 16.191 -4.535 55 H HIS 8 HN HIS 8 -4.861 18.619 -0.901 56 HA HIS 8 HA HIS 8 -2.698 19.907 -2.034 57 HB2 HIS 8 HB2 HIS 8 -3.387 19.903 0.372 58 HB3 HIS 8 HB1 HIS 8 -2.554 18.385 0.569 59 HD2 HIS 8 HD2 HIS 8 -0.206 19.138 1.848 60 HE1 HIS 8 HE1 HIS 8 0.826 22.342 -0.701 61 HE2 HIS 8 HE2 HIS 8 1.594 20.940 1.273 62 H HIS 9 HN HIS 9 -3.095 16.457 -1.774 63 HA HIS 9 HA HIS 9 -0.202 15.986 -2.178 64 HB2 HIS 9 HB2 HIS 9 -1.363 14.454 -0.703 65 HB3 HIS 9 HB1 HIS 9 -2.538 14.072 -1.948 66 HD2 HIS 9 HD2 HIS 9 -1.056 11.424 -1.173 67 HE1 HIS 9 HE1 HIS 9 1.745 12.187 -4.243 68 HE2 HIS 9 HE2 HIS 9 0.819 10.410 -2.683 69 H CYS 10 HN CYS 10 -3.135 14.880 -3.987 70 HA CYS 10 HA CYS 10 -1.495 14.587 -6.421 71 HB2 CYS 10 HB2 CYS 10 -4.502 14.369 -6.268 72 HB3 CYS 10 HB1 CYS 10 -3.412 13.588 -7.407 73 H ASN 11 HN ASN 11 -3.071 17.070 -4.898 74 HA ASN 11 HA ASN 11 -3.773 19.201 -5.517 75 HB2 ASN 11 HB2 ASN 11 -1.489 19.374 -6.300 76 HB3 ASN 11 HB1 ASN 11 -1.924 18.592 -7.808 77 HD21 ASN 11 HD21 ASN 11 -1.045 20.697 -8.759 78 HD22 ASN 11 HD22 ASN 11 -2.096 22.022 -8.857 79 H GLU 12 HN GLU 12 -5.167 16.696 -6.623 80 HA GLU 12 HA GLU 12 -6.398 17.827 -9.084 81 HB2 GLU 12 HB2 GLU 12 -7.458 15.684 -9.357 82 HB3 GLU 12 HB1 GLU 12 -5.786 15.364 -8.901 83 HG2 GLU 12 HG2 GLU 12 -6.615 15.221 -6.493 84 HG3 GLU 12 HG1 GLU 12 -8.244 15.200 -7.143 85 H SER 13 HN SER 13 -8.404 18.789 -9.033 86 HA SER 13 HA SER 13 -9.568 19.796 -6.715 87 HB2 SER 13 HB2 SER 13 -11.227 18.889 -9.069 88 HB3 SER 13 HB1 SER 13 -11.524 20.254 -7.996 89 HG SER 13 HG SER 13 -10.135 20.196 -10.257 90 H LEU 14 HN LEU 14 -10.836 18.925 -5.068 91 HA LEU 14 HA LEU 14 -11.036 16.107 -4.734 92 HB2 LEU 14 HB2 LEU 14 -12.688 18.346 -3.559 93 HB3 LEU 14 HB1 LEU 14 -12.867 16.680 -3.076 94 HG LEU 14 HG LEU 14 -11.426 17.892 -1.535 95 HD11 LEU 14 HD11 LEU 14 -9.522 16.118 -3.001 96 HD12 LEU 14 HD12 LEU 14 -11.022 15.414 -2.392 97 HD13 LEU 14 HD13 LEU 14 -9.900 16.194 -1.282 98 HD21 LEU 14 HD21 LEU 14 -9.446 18.969 -2.166 99 HD22 LEU 14 HD22 LEU 14 -10.604 19.455 -3.401 100 HD23 LEU 14 HD23 LEU 14 -9.420 18.191 -3.746 101 H PHE 15 HN PHE 15 -12.454 14.669 -5.543 102 HA PHE 15 HA PHE 15 -14.169 15.536 -7.710 103 HB2 PHE 15 HB2 PHE 15 -14.527 13.101 -8.012 104 HB3 PHE 15 HB1 PHE 15 -12.826 13.538 -7.926 105 HD1 PHE 15 HD2 PHE 15 -11.596 13.273 -5.645 106 HD2 PHE 15 HD1 PHE 15 -15.468 11.586 -6.476 107 HE1 PHE 15 HE2 PHE 15 -11.347 11.739 -3.722 108 HE2 PHE 15 HE1 PHE 15 -15.201 10.039 -4.559 109 HZ PHE 15 HZ PHE 15 -13.143 10.118 -3.183 110 H GLY 16 HN GLY 16 -16.035 16.557 -6.982 111 HA2 GLY 16 HA2 GLY 16 -18.195 16.718 -6.062 112 HA3 GLY 16 HA1 GLY 16 -18.306 15.091 -6.708 113 H LYS 17 HN LYS 17 -16.019 15.187 -4.126 114 HA LYS 17 HA LYS 17 -18.204 14.349 -2.218 115 HB2 LYS 17 HB2 LYS 17 -17.235 12.362 -3.259 116 HB3 LYS 17 HB1 LYS 17 -15.619 12.885 -2.782 117 HG2 LYS 17 HG2 LYS 17 -16.036 12.539 -0.491 118 HG3 LYS 17 HG1 LYS 17 -17.786 12.560 -0.706 119 HD2 LYS 17 HD2 LYS 17 -17.707 10.416 -1.872 120 HD3 LYS 17 HD1 LYS 17 -15.945 10.408 -1.794 121 HE2 LYS 17 HE2 LYS 17 -16.705 9.013 0.002 122 HE3 LYS 17 HE1 LYS 17 -16.173 10.526 0.737 123 HZ1 LYS 17 HZ1 LYS 17 -18.986 9.969 -0.019 124 HZ2 LYS 17 HZ2 LYS 17 -18.404 11.270 0.906 125 HZ3 LYS 17 HZ3 LYS 17 -18.363 9.691 1.534 126 H LYS 18 HN LYS 18 -17.652 14.270 -0.012 127 HA LYS 18 HA LYS 18 -16.384 16.542 1.026 128 HB2 LYS 18 HB2 LYS 18 -17.133 13.865 2.168 129 HB3 LYS 18 HB1 LYS 18 -16.130 14.934 3.145 130 HG2 LYS 18 HG2 LYS 18 -18.642 15.995 1.857 131 HG3 LYS 18 HG1 LYS 18 -18.742 15.077 3.353 132 HD2 LYS 18 HD2 LYS 18 -16.763 17.340 3.172 133 HD3 LYS 18 HD1 LYS 18 -18.466 17.711 3.428 134 HE2 LYS 18 HE2 LYS 18 -17.110 15.637 5.141 135 HE3 LYS 18 HE1 LYS 18 -16.925 17.351 5.508 136 HZ1 LYS 18 HZ1 LYS 18 -19.544 17.224 5.130 137 HZ2 LYS 18 HZ2 LYS 18 -18.815 16.993 6.647 138 HZ3 LYS 18 HZ3 LYS 18 -19.274 15.653 5.709 139 H TYR 19 HN TYR 19 -14.385 16.379 2.536 140 HA TYR 19 HA TYR 19 -12.293 14.580 1.410 141 HB2 TYR 19 HB2 TYR 19 -10.827 16.458 0.931 142 HB3 TYR 19 HB1 TYR 19 -12.357 16.669 0.082 143 HD1 TYR 19 HD1 TYR 19 -14.209 18.050 1.299 144 HD2 TYR 19 HD2 TYR 19 -10.046 18.170 2.330 145 HE1 TYR 19 HE1 TYR 19 -14.562 20.213 2.451 146 HE2 TYR 19 HE2 TYR 19 -10.397 20.343 3.480 147 HH TYR 19 HH TYR 19 -11.875 22.119 3.640 148 H ILE 20 HN ILE 20 -10.332 14.575 2.698 149 HA ILE 20 HA ILE 20 -10.875 15.190 5.584 150 HB ILE 20 HB ILE 20 -8.973 13.199 4.316 151 HG12 ILE 20 HG12 ILE 20 -11.434 12.463 5.905 152 HG13 ILE 20 HG11 ILE 20 -11.601 12.858 4.198 153 HG21 ILE 20 HG21 ILE 20 -9.701 13.866 7.172 154 HG22 ILE 20 HG22 ILE 20 -8.099 13.818 6.436 155 HG23 ILE 20 HG23 ILE 20 -8.981 12.319 6.727 156 HD11 ILE 20 HD11 ILE 20 -11.282 10.427 4.533 157 HD12 ILE 20 HD12 ILE 20 -9.734 10.746 5.315 158 HD13 ILE 20 HD13 ILE 20 -9.955 11.133 3.609 159 H LEU 21 HN LEU 21 -9.356 16.406 6.737 160 HA LEU 21 HA LEU 21 -7.228 17.722 5.125 161 HB2 LEU 21 HB2 LEU 21 -8.260 18.283 7.924 162 HB3 LEU 21 HB1 LEU 21 -6.919 19.145 7.164 163 HG LEU 21 HG LEU 21 -9.103 20.351 7.001 164 HD11 LEU 21 HD11 LEU 21 -7.152 20.369 5.228 165 HD12 LEU 21 HD12 LEU 21 -8.687 21.148 4.859 166 HD13 LEU 21 HD13 LEU 21 -8.336 19.553 4.214 167 HD21 LEU 21 HD21 LEU 21 -9.955 18.280 4.980 168 HD22 LEU 21 HD22 LEU 21 -10.929 19.510 5.782 169 HD23 LEU 21 HD23 LEU 21 -10.377 18.101 6.685 170 H ARG 22 HN ARG 22 -5.329 16.672 5.123 171 HA ARG 22 HA ARG 22 -4.442 15.233 7.604 172 HB2 ARG 22 HB2 ARG 22 -4.750 13.951 5.377 173 HB3 ARG 22 HB1 ARG 22 -3.322 14.829 4.831 174 HG2 ARG 22 HG2 ARG 22 -2.482 12.798 5.710 175 HG3 ARG 22 HG1 ARG 22 -2.179 13.997 6.961 176 HD2 ARG 22 HD2 ARG 22 -4.756 13.033 7.569 177 HD3 ARG 22 HD1 ARG 22 -3.884 11.611 7.065 178 HE ARG 22 HE ARG 22 -3.627 12.806 9.585 179 HH11 ARG 22 HH21 ARG 22 -1.547 11.976 6.956 180 HH12 ARG 22 HH22 ARG 22 -0.137 11.844 7.950 181 HH21 ARG 22 HH11 ARG 22 -1.802 12.630 10.884 182 HH22 ARG 22 HH12 ARG 22 -0.281 12.211 10.169 183 H GLU 23 HN GLU 23 -2.497 15.882 8.520 184 HA GLU 23 HA GLU 23 -0.764 17.418 8.969 185 HB2 GLU 23 HB2 GLU 23 -0.480 17.029 5.972 186 HB3 GLU 23 HB1 GLU 23 0.684 17.924 6.948 187 HG2 GLU 23 HG2 GLU 23 0.926 15.878 8.400 188 HG3 GLU 23 HG1 GLU 23 -0.070 15.004 7.235 189 H GLU 24 HN GLU 24 -3.433 18.409 8.495 190 HA GLU 24 HA GLU 24 -4.541 20.445 8.233 191 HB2 GLU 24 HB2 GLU 24 -1.822 21.742 7.938 192 HB3 GLU 24 HB1 GLU 24 -3.309 22.454 8.558 193 HG2 GLU 24 HG2 GLU 24 -3.236 20.828 10.463 194 HG3 GLU 24 HG1 GLU 24 -1.664 20.280 9.881 195 H SER 25 HN SER 25 -4.087 18.809 5.923 196 HA SER 25 HA SER 25 -4.244 20.913 3.865 197 HB2 SER 25 HB2 SER 25 -2.500 18.533 3.299 198 HB3 SER 25 HB1 SER 25 -2.515 20.104 2.505 199 HG SER 25 HG SER 25 -0.808 19.531 4.179 200 HA PRO 26 HA PRO 26 -7.572 18.176 2.593 201 HB2 PRO 26 HB2 PRO 26 -7.688 19.099 -0.105 202 HB3 PRO 26 HB1 PRO 26 -8.661 19.684 1.246 203 HG2 PRO 26 HG2 PRO 26 -6.391 20.995 -0.085 204 HG3 PRO 26 HG1 PRO 26 -7.568 21.688 1.038 205 HD2 PRO 26 HD2 PRO 26 -4.858 21.070 1.628 206 HD3 PRO 26 HD1 PRO 26 -6.123 21.497 2.799 207 H TYR 27 HN TYR 27 -7.372 16.088 2.013 208 HA TYR 27 HA TYR 27 -5.505 15.329 -0.215 209 HB2 TYR 27 HB2 TYR 27 -6.021 14.060 2.484 210 HB3 TYR 27 HB1 TYR 27 -5.576 13.035 1.136 211 HD1 TYR 27 HD2 TYR 27 -3.811 16.117 0.660 212 HD2 TYR 27 HD1 TYR 27 -3.859 12.572 3.078 213 HE1 TYR 27 HE2 TYR 27 -1.439 16.450 1.176 214 HE2 TYR 27 HE1 TYR 27 -1.464 12.918 3.607 215 HH TYR 27 HH TYR 27 0.490 14.057 2.607 216 H CYS 28 HN CYS 28 -6.452 13.918 -1.736 217 HA CYS 28 HA CYS 28 -9.332 13.864 -1.791 218 HB2 CYS 28 HB2 CYS 28 -9.085 12.336 -3.710 219 HB3 CYS 28 HB1 CYS 28 -8.004 13.706 -3.869 220 H VAL 29 HN VAL 29 -10.718 12.059 -1.365 221 HA VAL 29 HA VAL 29 -10.322 10.585 0.931 222 HB VAL 29 HB VAL 29 -11.711 9.409 -1.483 223 HG11 VAL 29 HG11 VAL 29 -11.583 8.029 0.539 224 HG12 VAL 29 HG12 VAL 29 -13.240 8.563 0.255 225 HG13 VAL 29 HG13 VAL 29 -12.258 9.350 1.492 226 HG21 VAL 29 HG21 VAL 29 -13.703 10.749 -0.583 227 HG22 VAL 29 HG22 VAL 29 -12.472 11.668 -1.447 228 HG23 VAL 29 HG23 VAL 29 -12.522 11.702 0.316 229 H VAL 30 HN VAL 30 -9.686 9.428 -2.365 230 HA VAL 30 HA VAL 30 -8.634 6.918 -1.874 231 HB VAL 30 HB VAL 30 -7.345 8.840 -3.814 232 HG11 VAL 30 HG11 VAL 30 -6.378 6.581 -3.603 233 HG12 VAL 30 HG12 VAL 30 -7.152 6.795 -5.173 234 HG13 VAL 30 HG13 VAL 30 -7.965 5.875 -3.907 235 HG21 VAL 30 HG21 VAL 30 -9.680 9.191 -4.152 236 HG22 VAL 30 HG22 VAL 30 -10.047 7.482 -3.914 237 HG23 VAL 30 HG23 VAL 30 -9.206 8.009 -5.371 238 H CYS 31 HN CYS 31 -6.694 9.956 -1.953 239 HA CYS 31 HA CYS 31 -4.207 8.907 -1.287 240 HB2 CYS 31 HB2 CYS 31 -5.552 11.506 -0.731 241 HB3 CYS 31 HB1 CYS 31 -4.122 11.149 0.232 242 H PHE 32 HN PHE 32 -6.443 10.239 1.155 243 HA PHE 32 HA PHE 32 -5.212 9.326 3.463 244 HB2 PHE 32 HB2 PHE 32 -7.349 10.680 3.307 245 HB3 PHE 32 HB1 PHE 32 -8.205 9.167 3.009 246 HD1 PHE 32 HD1 PHE 32 -8.013 7.295 4.741 247 HD2 PHE 32 HD2 PHE 32 -6.787 11.341 5.509 248 HE1 PHE 32 HE1 PHE 32 -8.100 6.859 7.181 249 HE2 PHE 32 HE2 PHE 32 -6.874 10.905 7.948 250 HZ PHE 32 HZ PHE 32 -7.531 8.664 8.785 251 H GLU 33 HN GLU 33 -7.469 7.415 1.440 252 HA GLU 33 HA GLU 33 -7.295 5.081 3.105 253 HB2 GLU 33 HB2 GLU 33 -8.096 5.391 0.210 254 HB3 GLU 33 HB1 GLU 33 -8.355 3.943 1.184 255 HG2 GLU 33 HG2 GLU 33 -9.348 6.637 2.113 256 HG3 GLU 33 HG1 GLU 33 -10.298 5.644 1.019 257 H THR 34 HN THR 34 -6.017 5.502 -0.226 258 HA THR 34 HA THR 34 -4.413 3.215 -0.270 259 HB THR 34 HB THR 34 -4.911 5.032 -2.100 260 HG1 THR 34 HG1 THR 34 -2.877 3.219 -1.756 261 HG21 THR 34 HG21 THR 34 -3.547 6.771 -0.838 262 HG22 THR 34 HG22 THR 34 -3.166 6.587 -2.546 263 HG23 THR 34 HG23 THR 34 -2.116 5.869 -1.325 264 H LEU 35 HN LEU 35 -3.482 6.442 0.927 265 HA LEU 35 HA LEU 35 -0.775 5.910 1.473 266 HB2 LEU 35 HB2 LEU 35 -2.745 7.632 2.982 267 HB3 LEU 35 HB1 LEU 35 -1.013 7.646 3.280 268 HG LEU 35 HG LEU 35 -2.171 8.149 0.529 269 HD11 LEU 35 HD11 LEU 35 -1.971 10.543 1.001 270 HD12 LEU 35 HD12 LEU 35 -1.464 10.186 2.652 271 HD13 LEU 35 HD13 LEU 35 -3.099 9.786 2.125 272 HD21 LEU 35 HD21 LEU 35 0.071 9.458 0.411 273 HD22 LEU 35 HD22 LEU 35 0.156 7.701 0.359 274 HD23 LEU 35 HD23 LEU 35 0.521 8.557 1.856 275 H PHE 36 HN PHE 36 -3.443 5.680 3.855 276 HA PHE 36 HA PHE 36 -1.662 4.045 5.592 277 HB2 PHE 36 HB2 PHE 36 -4.436 4.881 6.380 278 HB3 PHE 36 HB1 PHE 36 -2.987 4.731 7.369 279 HD1 PHE 36 HD2 PHE 36 -1.021 6.273 5.713 280 HD2 PHE 36 HD1 PHE 36 -5.110 7.113 6.728 281 HE1 PHE 36 HE2 PHE 36 -0.594 8.694 5.426 282 HE2 PHE 36 HE1 PHE 36 -4.680 9.531 6.439 283 HZ PHE 36 HZ PHE 36 -2.421 10.325 5.788 284 H ALA 37 HN ALA 37 -3.913 3.379 3.213 285 HA ALA 37 HA ALA 37 -5.537 1.375 4.399 286 HB1 ALA 37 HB1 ALA 37 -5.431 0.368 1.971 287 HB2 ALA 37 HB2 ALA 37 -4.550 1.849 1.602 288 HB3 ALA 37 HB3 ALA 37 -6.196 1.936 2.226 289 H ASN 38 HN ASN 38 -5.303 -0.938 4.357 290 HA ASN 38 HA ASN 38 -2.498 -1.822 4.780 291 HB2 ASN 38 HB2 ASN 38 -5.208 -2.965 5.481 292 HB3 ASN 38 HB1 ASN 38 -3.739 -3.927 5.596 293 HD21 ASN 38 HD21 ASN 38 -1.879 -2.108 6.593 294 HD22 ASN 38 HD22 ASN 38 -2.376 -1.539 8.113 295 H THR 39 HN THR 39 -1.742 -3.789 3.706 296 HA THR 39 HA THR 39 -2.875 -4.047 0.982 297 HB THR 39 HB THR 39 -0.482 -5.567 2.028 298 HG1 THR 39 HG1 THR 39 0.215 -3.618 2.511 299 HG21 THR 39 HG21 THR 39 0.232 -5.377 -0.306 300 HG22 THR 39 HG22 THR 39 -1.169 -4.372 -0.674 301 HG23 THR 39 HG23 THR 39 -1.391 -6.064 -0.229 302 H CYS 40 HN CYS 40 -3.886 -5.878 0.223 303 HA CYS 40 HA CYS 40 -4.616 -7.953 2.227 304 HB2 CYS 40 HB2 CYS 40 -6.498 -7.181 1.002 305 HB3 CYS 40 HB1 CYS 40 -5.631 -7.224 -0.529 306 H GLU 41 HN GLU 41 -2.971 -9.343 2.409 307 HA GLU 41 HA GLU 41 -0.987 -10.079 0.652 308 HB2 GLU 41 HB2 GLU 41 -2.475 -11.971 2.490 309 HB3 GLU 41 HB1 GLU 41 -0.833 -12.179 1.884 310 HG2 GLU 41 HG2 GLU 41 -0.106 -10.154 3.042 311 HG3 GLU 41 HG1 GLU 41 -1.751 -9.831 3.575 312 H GLU 42 HN GLU 42 -4.352 -10.783 0.291 313 HA GLU 42 HA GLU 42 -3.853 -13.000 -1.610 314 HB2 GLU 42 HB2 GLU 42 -5.866 -12.778 0.057 315 HB3 GLU 42 HB1 GLU 42 -6.547 -11.712 -1.169 316 HG2 GLU 42 HG2 GLU 42 -5.626 -14.562 -1.638 317 HG3 GLU 42 HG1 GLU 42 -7.303 -14.039 -1.491 318 H CYS 43 HN CYS 43 -5.473 -9.793 -1.756 319 HA CYS 43 HA CYS 43 -5.387 -9.827 -4.685 320 HB2 CYS 43 HB2 CYS 43 -6.085 -7.554 -2.801 321 HB3 CYS 43 HB1 CYS 43 -6.426 -7.619 -4.528 322 H GLY 44 HN GLY 44 -3.730 -8.068 -2.073 323 HA2 GLY 44 HA2 GLY 44 -1.430 -7.362 -2.181 324 HA3 GLY 44 HA1 GLY 44 -1.484 -7.514 -3.939 325 H LYS 45 HN LYS 45 -4.294 -6.055 -3.354 326 HA LYS 45 HA LYS 45 -3.163 -3.362 -3.856 327 HB2 LYS 45 HB2 LYS 45 -5.886 -4.620 -4.184 328 HB3 LYS 45 HB1 LYS 45 -5.692 -2.870 -4.250 329 HG2 LYS 45 HG2 LYS 45 -4.141 -3.046 -6.105 330 HG3 LYS 45 HG1 LYS 45 -4.104 -4.802 -5.963 331 HD2 LYS 45 HD2 LYS 45 -5.607 -4.468 -7.737 332 HD3 LYS 45 HD1 LYS 45 -6.686 -4.659 -6.358 333 HE2 LYS 45 HE2 LYS 45 -7.334 -2.726 -7.769 334 HE3 LYS 45 HE1 LYS 45 -6.874 -2.215 -6.147 335 HZ1 LYS 45 HZ1 LYS 45 -4.734 -2.342 -8.108 336 HZ2 LYS 45 HZ2 LYS 45 -5.028 -1.193 -6.891 337 HZ3 LYS 45 HZ3 LYS 45 -5.889 -1.125 -8.354 338 HA PRO 46 HA PRO 46 -3.957 -1.946 0.264 339 HB2 PRO 46 HB2 PRO 46 -5.278 0.525 -0.513 340 HB3 PRO 46 HB1 PRO 46 -3.629 0.315 0.090 341 HG2 PRO 46 HG2 PRO 46 -4.465 0.900 -2.616 342 HG3 PRO 46 HG1 PRO 46 -2.814 0.699 -2.011 343 HD2 PRO 46 HD2 PRO 46 -4.289 -1.119 -3.680 344 HD3 PRO 46 HD1 PRO 46 -2.663 -1.347 -3.010 345 H ILE 47 HN ILE 47 -5.684 -2.152 1.729 346 HA ILE 47 HA ILE 47 -8.343 -2.774 0.551 347 HB ILE 47 HB ILE 47 -7.422 -3.075 3.430 348 HG12 ILE 47 HG12 ILE 47 -7.428 -5.079 1.149 349 HG13 ILE 47 HG11 ILE 47 -5.997 -4.397 1.908 350 HG21 ILE 47 HG21 ILE 47 -9.883 -3.043 3.026 351 HG22 ILE 47 HG22 ILE 47 -9.327 -4.624 3.568 352 HG23 ILE 47 HG23 ILE 47 -9.689 -4.354 1.867 353 HD11 ILE 47 HD11 ILE 47 -7.235 -5.360 4.113 354 HD12 ILE 47 HD12 ILE 47 -6.113 -6.319 3.150 355 HD13 ILE 47 HD13 ILE 47 -7.850 -6.492 2.909 356 H GLY 48 HN GLY 48 -9.429 -0.878 0.217 357 HA2 GLY 48 HA2 GLY 48 -9.132 1.457 1.878 358 HA3 GLY 48 HA1 GLY 48 -10.387 1.222 0.663 359 H CYS 49 HN CYS 49 -10.648 2.351 3.357 360 HA CYS 49 HA CYS 49 -11.914 0.443 5.105 361 HB2 CYS 49 HB2 CYS 49 -11.982 3.455 4.884 362 HB3 CYS 49 HB1 CYS 49 -12.971 2.601 6.069 363 HG CYS 49 HG CYS 49 -10.629 3.166 7.154 364 H ASP 50 HN ASP 50 -12.851 1.841 2.161 365 HA ASP 50 HA ASP 50 -15.701 2.006 2.567 366 HB2 ASP 50 HB2 ASP 50 -15.745 1.875 0.028 367 HB3 ASP 50 HB1 ASP 50 -14.747 3.170 0.691 368 H CYS 51 HN CYS 51 -13.899 -0.591 3.037 369 HA CYS 51 HA CYS 51 -16.039 -2.456 2.130 370 HB2 CYS 51 HB2 CYS 51 -13.070 -2.893 1.669 371 HB3 CYS 51 HB1 CYS 51 -14.345 -4.063 1.327 372 HG CYS 51 HG CYS 51 -14.068 -1.338 -0.191 373 H LYS 52 HN LYS 52 -15.268 -4.774 3.094 374 HA LYS 52 HA LYS 52 -15.027 -4.287 5.995 375 HB2 LYS 52 HB2 LYS 52 -15.148 -7.076 4.914 376 HB3 LYS 52 HB1 LYS 52 -15.997 -6.369 6.284 377 HG2 LYS 52 HG2 LYS 52 -16.649 -5.869 3.357 378 HG3 LYS 52 HG1 LYS 52 -17.545 -6.920 4.443 379 HD2 LYS 52 HD2 LYS 52 -18.266 -5.090 5.796 380 HD3 LYS 52 HD1 LYS 52 -17.135 -3.977 5.029 381 HE2 LYS 52 HE2 LYS 52 -19.671 -4.001 4.283 382 HE3 LYS 52 HE1 LYS 52 -18.396 -3.811 3.079 383 HZ1 LYS 52 HZ1 LYS 52 -20.114 -5.516 2.542 384 HZ2 LYS 52 HZ2 LYS 52 -19.533 -6.441 3.843 385 HZ3 LYS 52 HZ3 LYS 52 -18.519 -6.091 2.526 386 H ASP 53 HN ASP 53 -12.902 -3.858 6.524 387 HA ASP 53 HA ASP 53 -10.710 -5.368 5.285 388 HB2 ASP 53 HB2 ASP 53 -9.259 -3.984 6.704 389 HB3 ASP 53 HB1 ASP 53 -10.442 -2.973 5.874 390 H LEU 54 HN LEU 54 -10.525 -7.465 5.960 391 HA LEU 54 HA LEU 54 -11.215 -8.233 8.681 392 HB2 LEU 54 HB2 LEU 54 -11.264 -9.575 6.332 393 HB3 LEU 54 HB1 LEU 54 -9.673 -10.068 6.867 394 HG LEU 54 HG LEU 54 -12.334 -10.960 7.785 395 HD11 LEU 54 HD11 LEU 54 -10.957 -12.902 8.595 396 HD12 LEU 54 HD12 LEU 54 -9.539 -12.061 7.977 397 HD13 LEU 54 HD13 LEU 54 -10.831 -12.541 6.878 398 HD21 LEU 54 HD21 LEU 54 -10.352 -10.062 9.860 399 HD22 LEU 54 HD22 LEU 54 -11.371 -11.455 10.164 400 HD23 LEU 54 HD23 LEU 54 -12.104 -9.890 9.858 401 H SER 55 HN SER 55 -9.779 -8.146 10.373 402 HA SER 55 HA SER 55 -6.842 -7.990 9.747 403 HB2 SER 55 HB2 SER 55 -7.401 -5.974 10.829 404 HB3 SER 55 HB1 SER 55 -8.528 -6.769 11.925 405 HG SER 55 HG SER 55 -5.707 -7.118 11.865 406 H TYR 56 HN TYR 56 -5.630 -9.655 10.479 407 HA TYR 56 HA TYR 56 -6.445 -11.155 12.884 408 HB2 TYR 56 HB2 TYR 56 -7.517 -12.119 10.637 409 HB3 TYR 56 HB1 TYR 56 -5.912 -12.816 10.424 410 HD1 TYR 56 HD1 TYR 56 -4.916 -14.090 12.461 411 HD2 TYR 56 HD2 TYR 56 -9.090 -13.213 12.013 412 HE1 TYR 56 HE1 TYR 56 -5.462 -15.886 14.081 413 HE2 TYR 56 HE2 TYR 56 -9.640 -15.009 13.632 414 HH TYR 56 HH TYR 56 -7.331 -16.449 15.633 415 H LYS 57 HN LYS 57 -4.603 -11.519 14.016 416 HA LYS 57 HA LYS 57 -2.328 -11.722 14.517 417 HB2 LYS 57 HB2 LYS 57 -2.748 -13.839 13.217 418 HB3 LYS 57 HB1 LYS 57 -2.154 -13.005 11.785 419 HG2 LYS 57 HG2 LYS 57 0.016 -12.669 12.813 420 HG3 LYS 57 HG1 LYS 57 -0.575 -13.276 14.357 421 HD2 LYS 57 HD2 LYS 57 -1.055 -15.473 13.223 422 HD3 LYS 57 HD1 LYS 57 -0.239 -14.847 11.790 423 HE2 LYS 57 HE2 LYS 57 1.051 -14.962 14.528 424 HE3 LYS 57 HE1 LYS 57 1.238 -16.224 13.310 425 HZ1 LYS 57 HZ1 LYS 57 2.986 -14.389 13.405 426 HZ2 LYS 57 HZ2 LYS 57 1.811 -13.395 12.684 427 HZ3 LYS 57 HZ3 LYS 57 2.353 -14.792 11.884 428 H ASP 58 HN ASP 58 -2.661 -9.237 13.958 429 HA ASP 58 HA ASP 58 -1.765 -7.277 13.038 430 HB2 ASP 58 HB2 ASP 58 0.191 -8.318 14.217 431 HB3 ASP 58 HB1 ASP 58 0.676 -9.028 12.677 432 H ARG 59 HN ARG 59 -2.703 -9.605 11.048 433 HA ARG 59 HA ARG 59 -1.468 -8.380 8.598 434 HB2 ARG 59 HB2 ARG 59 -2.679 -11.116 9.057 435 HB3 ARG 59 HB1 ARG 59 -2.258 -10.489 7.467 436 HG2 ARG 59 HG2 ARG 59 0.047 -10.369 8.006 437 HG3 ARG 59 HG1 ARG 59 -0.256 -10.575 9.724 438 HD2 ARG 59 HD2 ARG 59 -1.109 -12.857 9.288 439 HD3 ARG 59 HD1 ARG 59 -0.738 -12.652 7.579 440 HE ARG 59 HE ARG 59 1.672 -12.125 8.836 441 HH11 ARG 59 HH21 ARG 59 -0.671 -14.652 8.874 442 HH12 ARG 59 HH22 ARG 59 0.482 -15.899 9.214 443 HH21 ARG 59 HH11 ARG 59 3.194 -13.738 9.279 444 HH22 ARG 59 HH12 ARG 59 2.671 -15.381 9.444 445 H HIS 60 HN HIS 60 -3.030 -8.318 6.713 446 HA HIS 60 HA HIS 60 -5.827 -7.740 7.649 447 HB2 HIS 60 HB2 HIS 60 -4.139 -6.224 5.643 448 HB3 HIS 60 HB1 HIS 60 -5.866 -5.966 5.878 449 HD2 HIS 60 HD2 HIS 60 -6.559 -4.595 8.258 450 HE1 HIS 60 HE1 HIS 60 -2.606 -3.977 9.605 451 HE2 HIS 60 HE2 HIS 60 -5.043 -3.388 10.008 452 H TRP 61 HN TRP 61 -7.490 -8.210 6.131 453 HA TRP 61 HA TRP 61 -6.828 -9.493 3.573 454 HB2 TRP 61 HB2 TRP 61 -7.552 -11.030 6.040 455 HB3 TRP 61 HB1 TRP 61 -8.354 -11.534 4.561 456 HD1 TRP 61 HD1 TRP 61 -6.402 -11.688 2.394 457 HE1 TRP 61 HE1 TRP 61 -4.233 -13.082 2.496 458 HE3 TRP 61 HE3 TRP 61 -5.795 -12.029 7.460 459 HZ2 TRP 61 HZ2 TRP 61 -2.468 -14.176 4.454 460 HZ3 TRP 61 HZ3 TRP 61 -3.853 -13.246 8.410 461 HH2 TRP 61 HH2 TRP 61 -2.197 -14.323 6.914 462 H HIS 62 HN HIS 62 -8.751 -9.746 2.257 463 HA HIS 62 HA HIS 62 -10.985 -8.008 3.054 464 HB2 HIS 62 HB2 HIS 62 -10.474 -9.792 0.654 465 HB3 HIS 62 HB1 HIS 62 -12.012 -8.986 0.892 466 HD2 HIS 62 HD2 HIS 62 -11.548 -6.005 1.249 467 HE1 HIS 62 HE1 HIS 62 -8.315 -6.127 -1.461 468 HE2 HIS 62 HE2 HIS 62 -9.962 -4.604 -0.277 469 H GLU 63 HN GLU 63 -12.859 -8.843 4.092 470 HA GLU 63 HA GLU 63 -12.909 -11.307 5.384 471 HB2 GLU 63 HB2 GLU 63 -14.987 -9.363 4.525 472 HB3 GLU 63 HB1 GLU 63 -15.605 -10.985 4.811 473 HG2 GLU 63 HG2 GLU 63 -15.737 -9.725 6.881 474 HG3 GLU 63 HG1 GLU 63 -14.496 -10.959 7.056 475 H ALA 64 HN ALA 64 -13.482 -10.698 1.986 476 HA ALA 64 HA ALA 64 -14.612 -13.391 1.527 477 HB1 ALA 64 HB1 ALA 64 -14.864 -12.685 -0.774 478 HB2 ALA 64 HB2 ALA 64 -13.837 -11.278 -0.498 479 HB3 ALA 64 HB3 ALA 64 -15.420 -11.378 0.272 480 H CYS 65 HN CYS 65 -11.488 -11.837 1.394 481 HA CYS 65 HA CYS 65 -10.338 -13.803 -0.452 482 HB2 CYS 65 HB2 CYS 65 -9.189 -11.606 1.259 483 HB3 CYS 65 HB1 CYS 65 -8.148 -12.751 0.420 484 H PHE 66 HN PHE 66 -10.601 -13.409 3.026 485 HA PHE 66 HA PHE 66 -8.697 -15.494 3.665 486 HB2 PHE 66 HB2 PHE 66 -9.754 -13.523 5.105 487 HB3 PHE 66 HB1 PHE 66 -10.957 -14.740 5.505 488 HD1 PHE 66 HD2 PHE 66 -9.735 -17.183 5.923 489 HD2 PHE 66 HD1 PHE 66 -8.052 -13.319 6.674 490 HE1 PHE 66 HE2 PHE 66 -8.171 -18.195 7.541 491 HE2 PHE 66 HE1 PHE 66 -6.471 -14.326 8.304 492 HZ PHE 66 HZ PHE 66 -6.531 -16.769 8.731 493 H HIS 67 HN HIS 67 -9.178 -17.498 2.750 494 HA HIS 67 HA HIS 67 -11.639 -18.806 3.685 495 HB2 HIS 67 HB2 HIS 67 -12.179 -19.555 1.312 496 HB3 HIS 67 HB1 HIS 67 -12.494 -17.858 1.661 497 HD2 HIS 67 HD2 HIS 67 -11.855 -18.413 -1.446 498 HE1 HIS 67 HE1 HIS 67 -7.911 -17.152 -0.621 499 HE2 HIS 67 HE2 HIS 67 -9.603 -17.575 -2.467 500 H CYS 68 HN CYS 68 -11.704 -21.171 2.805 501 HA CYS 68 HA CYS 68 -9.068 -22.354 3.354 502 HB2 CYS 68 HB2 CYS 68 -10.927 -23.509 4.346 503 HB3 CYS 68 HB1 CYS 68 -11.819 -23.514 2.835 504 H SER 69 HN SER 69 -7.834 -23.518 1.826 505 HA SER 69 HA SER 69 -8.146 -22.698 -0.926 506 HB2 SER 69 HB2 SER 69 -5.977 -23.307 0.317 507 HB3 SER 69 HB1 SER 69 -6.419 -24.984 0.030 508 HG SER 69 HG SER 69 -6.338 -23.039 -2.027 509 H GLN 70 HN GLN 70 -9.254 -25.470 0.898 510 HA GLN 70 HA GLN 70 -9.920 -26.955 -1.601 511 HB2 GLN 70 HB2 GLN 70 -10.318 -27.839 1.266 512 HB3 GLN 70 HB1 GLN 70 -10.338 -28.851 -0.177 513 HG2 GLN 70 HG2 GLN 70 -7.902 -27.236 0.564 514 HG3 GLN 70 HG1 GLN 70 -8.170 -28.834 1.241 515 HE21 GLN 70 HE21 GLN 70 -6.586 -27.311 -1.223 516 HE22 GLN 70 HE22 GLN 70 -6.558 -28.562 -2.362 517 H CYS 71 HN CYS 71 -11.541 -25.840 1.374 518 HA CYS 71 HA CYS 71 -14.184 -26.409 0.167 519 HB2 CYS 71 HB2 CYS 71 -13.733 -25.047 2.820 520 HB3 CYS 71 HB1 CYS 71 -15.090 -26.052 2.310 521 H ARG 72 HN ARG 72 -12.074 -23.891 -0.086 522 HA ARG 72 HA ARG 72 -12.296 -21.567 -0.362 523 HB2 ARG 72 HB2 ARG 72 -14.403 -21.194 -2.038 524 HB3 ARG 72 HB1 ARG 72 -12.857 -21.839 -2.575 525 HG2 ARG 72 HG2 ARG 72 -13.735 -24.151 -2.214 526 HG3 ARG 72 HG1 ARG 72 -15.301 -23.453 -1.799 527 HD2 ARG 72 HD2 ARG 72 -15.451 -24.003 -4.107 528 HD3 ARG 72 HD1 ARG 72 -15.202 -22.258 -4.057 529 HE ARG 72 HE ARG 72 -12.636 -23.289 -4.245 530 HH11 ARG 72 HH21 ARG 72 -15.606 -23.628 -5.963 531 HH12 ARG 72 HH22 ARG 72 -14.843 -23.920 -7.490 532 HH21 ARG 72 HH11 ARG 72 -11.622 -23.672 -6.229 533 HH22 ARG 72 HH12 ARG 72 -12.587 -23.946 -7.641 534 H ASN 73 HN ASN 73 -13.860 -22.778 1.917 535 HA ASN 73 HA ASN 73 -16.246 -21.120 2.169 536 HB2 ASN 73 HB2 ASN 73 -14.632 -22.877 4.014 537 HB3 ASN 73 HB1 ASN 73 -15.845 -21.787 4.693 538 HD21 ASN 73 HD21 ASN 73 -17.971 -22.514 4.686 539 HD22 ASN 73 HD22 ASN 73 -18.540 -23.834 3.789 540 H SER 74 HN SER 74 -16.370 -19.234 3.572 541 HA SER 74 HA SER 74 -13.851 -17.695 3.561 542 HB2 SER 74 HB2 SER 74 -16.559 -16.862 4.636 543 HB3 SER 74 HB1 SER 74 -15.214 -15.808 4.211 544 HG SER 74 HG SER 74 -16.662 -15.852 2.507 545 H LEU 75 HN LEU 75 -12.504 -18.527 5.205 546 HA LEU 75 HA LEU 75 -13.607 -19.100 7.857 547 HB2 LEU 75 HB2 LEU 75 -10.674 -18.773 7.276 548 HB3 LEU 75 HB1 LEU 75 -11.443 -19.794 8.473 549 HG LEU 75 HG LEU 75 -11.942 -20.286 5.530 550 HD11 LEU 75 HD11 LEU 75 -9.681 -21.533 7.084 551 HD12 LEU 75 HD12 LEU 75 -9.447 -20.173 5.986 552 HD13 LEU 75 HD13 LEU 75 -10.043 -21.704 5.375 553 HD21 LEU 75 HD21 LEU 75 -12.381 -22.526 6.305 554 HD22 LEU 75 HD22 LEU 75 -13.263 -21.411 7.348 555 HD23 LEU 75 HD23 LEU 75 -11.758 -22.141 7.909 556 H VAL 76 HN VAL 76 -14.106 -17.429 9.168 557 HA VAL 76 HA VAL 76 -12.183 -15.178 9.418 558 HB VAL 76 HB VAL 76 -15.177 -14.930 8.948 559 HG11 VAL 76 HG11 VAL 76 -14.705 -13.419 10.728 560 HG12 VAL 76 HG12 VAL 76 -14.663 -12.441 9.261 561 HG13 VAL 76 HG13 VAL 76 -13.158 -12.956 10.022 562 HG21 VAL 76 HG21 VAL 76 -12.693 -13.977 7.497 563 HG22 VAL 76 HG22 VAL 76 -14.285 -13.292 7.187 564 HG23 VAL 76 HG23 VAL 76 -13.983 -15.000 6.873 565 H ASP 77 HN ASP 77 -11.780 -14.867 11.588 566 HA ASP 77 HA ASP 77 -11.943 -15.265 13.903 567 HB2 ASP 77 HB2 ASP 77 -13.774 -13.661 13.762 568 HB3 ASP 77 HB1 ASP 77 -14.880 -14.916 13.209 569 H LYS 78 HN LYS 78 -12.469 -17.456 11.716 570 HA LYS 78 HA LYS 78 -13.613 -19.548 13.523 571 HB2 LYS 78 HB2 LYS 78 -13.607 -19.106 10.558 572 HB3 LYS 78 HB1 LYS 78 -13.538 -20.777 11.107 573 HG2 LYS 78 HG2 LYS 78 -15.560 -20.376 12.502 574 HG3 LYS 78 HG1 LYS 78 -15.653 -18.735 11.868 575 HD2 LYS 78 HD2 LYS 78 -15.534 -21.034 9.921 576 HD3 LYS 78 HD1 LYS 78 -17.055 -20.692 10.740 577 HE2 LYS 78 HE2 LYS 78 -15.516 -18.499 9.360 578 HE3 LYS 78 HE1 LYS 78 -16.630 -19.531 8.468 579 HZ1 LYS 78 HZ1 LYS 78 -18.429 -18.786 9.690 580 HZ2 LYS 78 HZ2 LYS 78 -17.511 -17.370 9.491 581 HZ3 LYS 78 HZ3 LYS 78 -17.472 -18.212 10.966 582 HA PRO 79 HA PRO 79 -9.563 -21.312 13.817 583 HB2 PRO 79 HB2 PRO 79 -10.232 -24.061 13.433 584 HB3 PRO 79 HB1 PRO 79 -10.110 -23.210 14.978 585 HG2 PRO 79 HG2 PRO 79 -12.530 -24.068 13.539 586 HG3 PRO 79 HG1 PRO 79 -12.373 -23.524 15.216 587 HD2 PRO 79 HD2 PRO 79 -13.514 -22.037 13.078 588 HD3 PRO 79 HD1 PRO 79 -13.067 -21.412 14.679 589 H PHE 80 HN PHE 80 -7.920 -21.606 12.314 590 HA PHE 80 HA PHE 80 -8.450 -23.038 9.785 591 HB2 PHE 80 HB2 PHE 80 -7.597 -21.185 8.377 592 HB3 PHE 80 HB1 PHE 80 -9.100 -20.735 9.194 593 HD1 PHE 80 HD1 PHE 80 -5.366 -20.438 9.392 594 HD2 PHE 80 HD2 PHE 80 -9.156 -18.867 10.653 595 HE1 PHE 80 HE1 PHE 80 -4.225 -18.507 10.442 596 HE2 PHE 80 HE2 PHE 80 -8.012 -16.937 11.702 597 HZ PHE 80 HZ PHE 80 -5.540 -16.755 11.592 598 H ALA 81 HN ALA 81 -6.527 -23.774 8.805 599 HA ALA 81 HA ALA 81 -4.124 -23.620 10.555 600 HB1 ALA 81 HB1 ALA 81 -3.366 -25.579 9.482 601 HB2 ALA 81 HB2 ALA 81 -4.356 -25.293 8.050 602 HB3 ALA 81 HB3 ALA 81 -5.111 -25.823 9.554 603 H ALA 82 HN ALA 82 -2.751 -21.996 10.059 604 HA ALA 82 HA ALA 82 -2.835 -20.685 7.453 605 HB1 ALA 82 HB1 ALA 82 -0.787 -19.443 8.519 606 HB2 ALA 82 HB2 ALA 82 -1.271 -20.281 9.994 607 HB3 ALA 82 HB3 ALA 82 -2.392 -19.181 9.197 608 H LYS 83 HN LYS 83 -1.969 -21.797 5.790 609 HA LYS 83 HA LYS 83 0.507 -23.379 6.165 610 HB2 LYS 83 HB2 LYS 83 -1.218 -24.449 4.855 611 HB3 LYS 83 HB1 LYS 83 -1.381 -23.037 3.821 612 HG2 LYS 83 HG2 LYS 83 0.645 -23.424 2.720 613 HG3 LYS 83 HG1 LYS 83 1.293 -24.397 4.044 614 HD2 LYS 83 HD2 LYS 83 -0.276 -26.202 3.526 615 HD3 LYS 83 HD1 LYS 83 -1.007 -25.227 2.250 616 HE2 LYS 83 HE2 LYS 83 0.692 -26.922 1.439 617 HE3 LYS 83 HE1 LYS 83 1.023 -25.259 0.955 618 HZ1 LYS 83 HZ1 LYS 83 2.150 -26.102 3.496 619 HZ2 LYS 83 HZ2 LYS 83 2.823 -25.132 2.274 620 HZ3 LYS 83 HZ3 LYS 83 2.821 -26.824 2.117 621 H GLU 84 HN GLU 84 2.301 -22.993 4.603 622 HA GLU 84 HA GLU 84 3.509 -20.576 4.757 623 HB2 GLU 84 HB2 GLU 84 3.519 -22.534 2.462 624 HB3 GLU 84 HB1 GLU 84 4.551 -21.107 2.456 625 HG2 GLU 84 HG2 GLU 84 5.748 -23.062 3.375 626 HG3 GLU 84 HG1 GLU 84 5.548 -21.808 4.599 627 H ASP 85 HN ASP 85 1.497 -21.355 1.854 628 HA ASP 85 HA ASP 85 1.044 -18.395 1.554 629 HB2 ASP 85 HB2 ASP 85 1.720 -20.547 -0.438 630 HB3 ASP 85 HB1 ASP 85 0.783 -19.153 -0.960 631 H GLN 86 HN GLN 86 -0.499 -21.209 2.380 632 HA GLN 86 HA GLN 86 -3.091 -20.264 1.173 633 HB2 GLN 86 HB2 GLN 86 -2.409 -23.149 1.749 634 HB3 GLN 86 HB1 GLN 86 -3.773 -22.520 0.831 635 HG2 GLN 86 HG2 GLN 86 -0.902 -22.075 -0.022 636 HG3 GLN 86 HG1 GLN 86 -1.850 -23.461 -0.530 637 HE21 GLN 86 HE21 GLN 86 -2.822 -23.135 -2.522 638 HE22 GLN 86 HE22 GLN 86 -3.380 -21.642 -3.106 639 H LEU 87 HN LEU 87 -4.992 -21.202 2.330 640 HA LEU 87 HA LEU 87 -4.563 -21.492 5.266 641 HB2 LEU 87 HB2 LEU 87 -6.509 -19.697 3.790 642 HB3 LEU 87 HB1 LEU 87 -6.886 -20.288 5.406 643 HG LEU 87 HG LEU 87 -4.193 -19.036 4.917 644 HD11 LEU 87 HD11 LEU 87 -6.825 -17.586 5.149 645 HD12 LEU 87 HD12 LEU 87 -5.505 -17.296 4.019 646 HD13 LEU 87 HD13 LEU 87 -5.326 -16.846 5.714 647 HD21 LEU 87 HD21 LEU 87 -5.923 -18.685 7.343 648 HD22 LEU 87 HD22 LEU 87 -4.168 -18.733 7.219 649 HD23 LEU 87 HD23 LEU 87 -5.100 -20.220 7.090 650 H LEU 88 HN LEU 88 -5.727 -23.197 6.110 651 HA LEU 88 HA LEU 88 -7.778 -24.512 4.355 652 HB2 LEU 88 HB2 LEU 88 -5.404 -25.757 5.763 653 HB3 LEU 88 HB1 LEU 88 -6.757 -26.703 5.157 654 HG LEU 88 HG LEU 88 -5.439 -24.773 3.263 655 HD11 LEU 88 HD11 LEU 88 -3.789 -26.516 2.622 656 HD12 LEU 88 HD12 LEU 88 -4.271 -27.455 4.035 657 HD13 LEU 88 HD13 LEU 88 -3.509 -25.878 4.243 658 HD21 LEU 88 HD21 LEU 88 -7.390 -26.012 2.503 659 HD22 LEU 88 HD22 LEU 88 -6.646 -27.538 2.986 660 HD23 LEU 88 HD23 LEU 88 -5.959 -26.603 1.660 661 H CYS 89 HN CYS 89 -9.088 -26.131 5.671 662 HA CYS 89 HA CYS 89 -9.809 -24.898 8.249 663 HB2 CYS 89 HB2 CYS 89 -11.003 -27.416 7.061 664 HB3 CYS 89 HB1 CYS 89 -11.739 -26.298 8.205 665 H THR 90 HN THR 90 -9.356 -25.862 10.255 666 HA THR 90 HA THR 90 -7.168 -27.586 10.549 667 HB THR 90 HB THR 90 -8.051 -26.441 12.493 668 HG1 THR 90 HG1 THR 90 -7.408 -28.072 13.613 669 HG21 THR 90 HG21 THR 90 -10.425 -26.448 11.738 670 HG22 THR 90 HG22 THR 90 -10.251 -26.943 13.421 671 HG23 THR 90 HG23 THR 90 -10.530 -28.155 12.170 672 H ASP 91 HN ASP 91 -10.286 -28.292 9.384 673 HA ASP 91 HA ASP 91 -10.199 -31.166 9.999 674 HB2 ASP 91 HB2 ASP 91 -12.016 -29.544 8.203 675 HB3 ASP 91 HB1 ASP 91 -12.230 -31.256 8.561 676 H CYS 92 HN CYS 92 -9.692 -29.024 7.210 677 HA CYS 92 HA CYS 92 -8.996 -31.259 5.447 678 HB2 CYS 92 HB2 CYS 92 -8.375 -28.349 4.912 679 HB3 CYS 92 HB1 CYS 92 -8.719 -29.628 3.748 680 H TYR 93 HN TYR 93 -7.293 -28.670 7.177 681 HA TYR 93 HA TYR 93 -4.678 -29.177 6.250 682 HB2 TYR 93 HB2 TYR 93 -5.466 -27.305 7.779 683 HB3 TYR 93 HB1 TYR 93 -5.388 -28.463 9.101 684 HD1 TYR 93 HD2 TYR 93 -3.311 -27.077 6.298 685 HD2 TYR 93 HD1 TYR 93 -3.364 -28.831 10.218 686 HE1 TYR 93 HE2 TYR 93 -0.862 -26.734 6.487 687 HE2 TYR 93 HE1 TYR 93 -0.919 -28.497 10.405 688 HH TYR 93 HH TYR 93 0.997 -28.139 9.060 689 H SER 94 HN SER 94 -6.327 -30.536 9.092 690 HA SER 94 HA SER 94 -4.197 -32.334 9.791 691 HB2 SER 94 HB2 SER 94 -5.925 -33.465 11.177 692 HB3 SER 94 HB1 SER 94 -5.935 -31.719 11.405 693 HG SER 94 HG SER 94 -8.039 -32.485 11.085 694 H ASN 95 HN ASN 95 -6.637 -32.415 7.360 695 HA ASN 95 HA ASN 95 -6.808 -35.282 7.027 696 HB2 ASN 95 HB2 ASN 95 -8.391 -33.427 6.128 697 HB3 ASN 95 HB1 ASN 95 -7.228 -33.261 4.815 698 HD21 ASN 95 HD21 ASN 95 -6.531 -35.687 3.998 699 HD22 ASN 95 HD22 ASN 95 -7.859 -36.688 3.658 700 H GLU 96 HN GLU 96 -4.800 -32.740 5.637 701 HA GLU 96 HA GLU 96 -3.293 -34.773 4.045 702 HB2 GLU 96 HB2 GLU 96 -2.305 -32.760 2.914 703 HB3 GLU 96 HB1 GLU 96 -4.049 -32.903 2.724 704 HG2 GLU 96 HG2 GLU 96 -3.807 -30.644 3.288 705 HG3 GLU 96 HG1 GLU 96 -4.156 -31.363 4.852 706 H TYR 97 HN TYR 97 -2.815 -32.227 6.495 707 HA TYR 97 HA TYR 97 -0.011 -32.286 6.666 708 HB2 TYR 97 HB2 TYR 97 -1.162 -30.706 8.034 709 HB3 TYR 97 HB1 TYR 97 -2.138 -31.959 8.790 710 HD1 TYR 97 HD1 TYR 97 -1.143 -33.523 10.428 711 HD2 TYR 97 HD2 TYR 97 1.088 -30.236 8.794 712 HE1 TYR 97 HE1 TYR 97 0.539 -33.765 12.236 713 HE2 TYR 97 HE2 TYR 97 2.770 -30.478 10.602 714 HH TYR 97 HH TYR 97 2.521 -33.096 13.002 715 H SER 98 HN SER 98 -2.392 -34.554 7.972 716 HA SER 98 HA SER 98 -2.100 -36.633 9.039 717 HB2 SER 98 HB2 SER 98 -1.487 -37.313 6.806 718 HB3 SER 98 HB1 SER 98 0.123 -36.621 6.980 719 HG SER 98 HG SER 98 -1.001 -38.869 8.287 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -11.118 29.509 -4.145 2 H2 MET 1 HT2 MET 1 -12.734 29.827 -4.560 3 H3 MET 1 HT3 MET 1 -12.166 30.196 -3.002 4 HA MET 1 HA MET 1 -11.378 31.509 -5.545 5 HB2 MET 1 HB2 MET 1 -12.977 32.344 -3.117 6 HB3 MET 1 HB1 MET 1 -12.268 33.524 -4.220 7 HG2 MET 1 HG2 MET 1 -13.517 32.623 -6.088 8 HG3 MET 1 HG1 MET 1 -14.109 31.285 -5.103 9 HE1 MET 1 HE1 MET 1 -15.294 31.678 -2.831 10 HE2 MET 1 HE2 MET 1 -16.413 31.308 -4.140 11 HE3 MET 1 HE3 MET 1 -16.825 32.554 -2.965 12 H THR 2 HN THR 2 -11.025 31.702 -1.978 13 HA THR 2 HA THR 2 -8.546 33.213 -2.240 14 HB THR 2 HB THR 2 -10.018 33.588 -0.315 15 HG1 THR 2 HG1 THR 2 -7.900 32.339 0.929 16 HG21 THR 2 HG21 THR 2 -10.625 31.933 1.217 17 HG22 THR 2 HG22 THR 2 -9.273 30.892 0.779 18 HG23 THR 2 HG23 THR 2 -10.660 31.036 -0.301 19 H GLU 3 HN GLU 3 -9.331 29.964 -0.974 20 HA GLU 3 HA GLU 3 -6.475 29.179 -1.348 21 HB2 GLU 3 HB2 GLU 3 -6.966 27.357 0.156 22 HB3 GLU 3 HB1 GLU 3 -7.588 28.831 0.886 23 HG2 GLU 3 HG2 GLU 3 -9.830 28.218 -0.254 24 HG3 GLU 3 HG1 GLU 3 -9.128 26.616 -0.476 25 H ARG 4 HN ARG 4 -6.336 26.741 -1.941 26 HA ARG 4 HA ARG 4 -7.905 26.376 -4.440 27 HB2 ARG 4 HB2 ARG 4 -5.392 25.043 -3.406 28 HB3 ARG 4 HB1 ARG 4 -6.122 24.746 -4.979 29 HG2 ARG 4 HG2 ARG 4 -5.294 27.501 -4.032 30 HG3 ARG 4 HG1 ARG 4 -4.221 26.452 -4.952 31 HD2 ARG 4 HD2 ARG 4 -6.568 26.425 -6.474 32 HD3 ARG 4 HD1 ARG 4 -6.494 28.083 -5.895 33 HE ARG 4 HE ARG 4 -4.971 27.084 -8.024 34 HH11 ARG 4 HH21 ARG 4 -4.357 28.597 -4.979 35 HH12 ARG 4 HH22 ARG 4 -2.818 29.222 -5.460 36 HH21 ARG 4 HH11 ARG 4 -2.979 27.901 -8.657 37 HH22 ARG 4 HH12 ARG 4 -2.041 28.834 -7.539 38 H PHE 5 HN PHE 5 -9.210 24.584 -4.715 39 HA PHE 5 HA PHE 5 -9.586 22.825 -2.318 40 HB2 PHE 5 HB2 PHE 5 -11.458 24.368 -3.384 41 HB3 PHE 5 HB1 PHE 5 -11.599 23.059 -4.548 42 HD1 PHE 5 HD1 PHE 5 -11.528 23.775 -0.887 43 HD2 PHE 5 HD2 PHE 5 -12.841 21.130 -3.997 44 HE1 PHE 5 HE1 PHE 5 -12.851 22.499 0.765 45 HE2 PHE 5 HE2 PHE 5 -14.174 19.846 -2.340 46 HZ PHE 5 HZ PHE 5 -14.176 20.522 0.036 47 H ASP 6 HN ASP 6 -7.561 21.828 -3.451 48 HA ASP 6 HA ASP 6 -8.542 19.595 -5.175 49 HB2 ASP 6 HB2 ASP 6 -5.853 20.896 -5.618 50 HB3 ASP 6 HB1 ASP 6 -6.707 19.764 -6.668 51 H CYS 7 HN CYS 7 -7.444 17.632 -4.850 52 HA CYS 7 HA CYS 7 -6.496 17.166 -2.223 53 HB2 CYS 7 HB2 CYS 7 -7.342 15.321 -3.425 54 HB3 CYS 7 HB1 CYS 7 -6.274 15.600 -4.785 55 H HIS 8 HN HIS 8 -4.726 18.316 -1.545 56 HA HIS 8 HA HIS 8 -2.603 19.329 -3.008 57 HB2 HIS 8 HB2 HIS 8 -3.090 19.646 -0.560 58 HB3 HIS 8 HB1 HIS 8 -2.297 18.123 -0.258 59 HD2 HIS 8 HD2 HIS 8 -1.047 21.121 -2.574 60 HE1 HIS 8 HE1 HIS 8 2.008 20.094 0.153 61 HE2 HIS 8 HE2 HIS 8 1.401 21.597 -1.803 62 H HIS 9 HN HIS 9 -3.183 15.976 -2.276 63 HA HIS 9 HA HIS 9 -0.371 15.252 -2.836 64 HB2 HIS 9 HB2 HIS 9 -1.477 13.995 -1.099 65 HB3 HIS 9 HB1 HIS 9 -2.799 13.572 -2.172 66 HD2 HIS 9 HD2 HIS 9 -1.436 10.921 -1.207 67 HE1 HIS 9 HE1 HIS 9 1.082 11.064 -4.593 68 HE2 HIS 9 HE2 HIS 9 0.198 9.576 -2.735 69 H CYS 10 HN CYS 10 -3.501 14.116 -4.262 70 HA CYS 10 HA CYS 10 -2.113 13.348 -6.721 71 HB2 CYS 10 HB2 CYS 10 -5.099 13.640 -6.336 72 HB3 CYS 10 HB1 CYS 10 -4.265 12.642 -7.522 73 H ASN 11 HN ASN 11 -3.843 16.093 -5.526 74 HA ASN 11 HA ASN 11 -3.989 18.267 -6.352 75 HB2 ASN 11 HB2 ASN 11 -2.337 18.941 -7.777 76 HB3 ASN 11 HB1 ASN 11 -1.785 17.275 -7.748 77 HD21 ASN 11 HD21 ASN 11 -2.177 19.601 -9.923 78 HD22 ASN 11 HD22 ASN 11 -2.778 18.734 -11.253 79 H GLU 12 HN GLU 12 -5.761 15.834 -7.016 80 HA GLU 12 HA GLU 12 -7.152 16.865 -9.436 81 HB2 GLU 12 HB2 GLU 12 -8.432 14.816 -9.364 82 HB3 GLU 12 HB1 GLU 12 -6.739 14.389 -9.117 83 HG2 GLU 12 HG2 GLU 12 -7.211 14.517 -6.613 84 HG3 GLU 12 HG1 GLU 12 -8.917 14.589 -7.025 85 H SER 13 HN SER 13 -9.109 17.940 -9.285 86 HA SER 13 HA SER 13 -9.917 19.266 -6.965 87 HB2 SER 13 HB2 SER 13 -10.979 20.029 -8.902 88 HB3 SER 13 HB1 SER 13 -11.391 18.400 -9.431 89 HG SER 13 HG SER 13 -13.239 18.785 -8.518 90 H LEU 14 HN LEU 14 -11.075 18.663 -5.128 91 HA LEU 14 HA LEU 14 -11.398 15.909 -4.475 92 HB2 LEU 14 HB2 LEU 14 -12.777 18.367 -3.387 93 HB3 LEU 14 HB1 LEU 14 -13.015 16.774 -2.716 94 HG LEU 14 HG LEU 14 -11.346 18.021 -1.459 95 HD11 LEU 14 HD11 LEU 14 -11.191 15.447 -2.083 96 HD12 LEU 14 HD12 LEU 14 -9.911 16.249 -1.178 97 HD13 LEU 14 HD13 LEU 14 -9.721 15.975 -2.907 98 HD21 LEU 14 HD21 LEU 14 -10.624 19.324 -3.553 99 HD22 LEU 14 HD22 LEU 14 -9.564 17.947 -3.870 100 HD23 LEU 14 HD23 LEU 14 -9.378 18.880 -2.388 101 H PHE 15 HN PHE 15 -12.963 14.502 -5.009 102 HA PHE 15 HA PHE 15 -14.834 15.275 -7.078 103 HB2 PHE 15 HB2 PHE 15 -15.358 12.853 -7.107 104 HB3 PHE 15 HB1 PHE 15 -13.633 13.179 -7.210 105 HD1 PHE 15 HD2 PHE 15 -12.218 13.047 -5.026 106 HD2 PHE 15 HD1 PHE 15 -16.240 11.550 -5.356 107 HE1 PHE 15 HE2 PHE 15 -11.885 11.691 -2.987 108 HE2 PHE 15 HE1 PHE 15 -15.890 10.177 -3.323 109 HZ PHE 15 HZ PHE 15 -13.716 10.249 -2.138 110 H GLY 16 HN GLY 16 -16.553 16.484 -6.285 111 HA2 GLY 16 HA2 GLY 16 -18.599 16.880 -5.191 112 HA3 GLY 16 HA1 GLY 16 -18.870 15.210 -5.657 113 H LYS 17 HN LYS 17 -16.336 15.433 -3.307 114 HA LYS 17 HA LYS 17 -18.373 14.890 -1.145 115 HB2 LYS 17 HB2 LYS 17 -17.568 12.773 -2.074 116 HB3 LYS 17 HB1 LYS 17 -15.902 13.262 -1.763 117 HG2 LYS 17 HG2 LYS 17 -16.170 13.161 0.576 118 HG3 LYS 17 HG1 LYS 17 -17.928 13.222 0.471 119 HD2 LYS 17 HD2 LYS 17 -17.935 10.975 -0.573 120 HD3 LYS 17 HD1 LYS 17 -16.178 10.913 -0.430 121 HE2 LYS 17 HE2 LYS 17 -18.005 11.331 1.947 122 HE3 LYS 17 HE1 LYS 17 -17.453 9.738 1.429 123 HZ1 LYS 17 HZ1 LYS 17 -15.456 11.848 1.789 124 HZ2 LYS 17 HZ2 LYS 17 -15.317 10.172 2.031 125 HZ3 LYS 17 HZ3 LYS 17 -16.118 11.136 3.178 126 H LYS 18 HN LYS 18 -17.639 15.027 1.012 127 HA LYS 18 HA LYS 18 -16.162 17.314 1.669 128 HB2 LYS 18 HB2 LYS 18 -15.859 16.153 3.946 129 HB3 LYS 18 HB1 LYS 18 -17.514 16.404 3.395 130 HG2 LYS 18 HG2 LYS 18 -17.647 14.130 2.585 131 HG3 LYS 18 HG1 LYS 18 -15.953 13.841 2.962 132 HD2 LYS 18 HD2 LYS 18 -17.810 14.743 5.160 133 HD3 LYS 18 HD1 LYS 18 -17.850 13.059 4.645 134 HE2 LYS 18 HE2 LYS 18 -15.214 14.370 5.284 135 HE3 LYS 18 HE1 LYS 18 -16.233 13.740 6.577 136 HZ1 LYS 18 HZ1 LYS 18 -15.771 11.648 6.018 137 HZ2 LYS 18 HZ2 LYS 18 -14.472 12.290 5.130 138 HZ3 LYS 18 HZ3 LYS 18 -15.943 11.940 4.356 139 H TYR 19 HN TYR 19 -14.011 17.204 2.989 140 HA TYR 19 HA TYR 19 -12.172 15.127 1.897 141 HB2 TYR 19 HB2 TYR 19 -10.634 16.832 1.087 142 HB3 TYR 19 HB1 TYR 19 -12.221 17.057 0.352 143 HD1 TYR 19 HD1 TYR 19 -13.860 18.695 1.536 144 HD2 TYR 19 HD2 TYR 19 -9.627 18.620 2.224 145 HE1 TYR 19 HE1 TYR 19 -13.973 20.993 2.452 146 HE2 TYR 19 HE2 TYR 19 -9.738 20.928 3.137 147 HH TYR 19 HH TYR 19 -11.027 22.724 3.436 148 H ILE 20 HN ILE 20 -10.123 15.064 3.002 149 HA ILE 20 HA ILE 20 -10.315 16.029 5.833 150 HB ILE 20 HB ILE 20 -8.701 13.764 4.621 151 HG12 ILE 20 HG12 ILE 20 -11.035 13.408 6.506 152 HG13 ILE 20 HG11 ILE 20 -11.346 13.637 4.789 153 HG21 ILE 20 HG21 ILE 20 -9.106 14.749 7.453 154 HG22 ILE 20 HG22 ILE 20 -7.587 14.565 6.576 155 HG23 ILE 20 HG23 ILE 20 -8.490 13.138 7.085 156 HD11 ILE 20 HD11 ILE 20 -11.183 11.242 5.321 157 HD12 ILE 20 HD12 ILE 20 -9.566 11.489 5.979 158 HD13 ILE 20 HD13 ILE 20 -9.864 11.734 4.258 159 H LEU 21 HN LEU 21 -8.593 17.218 6.701 160 HA LEU 21 HA LEU 21 -6.574 18.198 4.747 161 HB2 LEU 21 HB2 LEU 21 -7.246 19.115 7.560 162 HB3 LEU 21 HB1 LEU 21 -5.947 19.791 6.570 163 HG LEU 21 HG LEU 21 -8.047 21.141 6.495 164 HD11 LEU 21 HD11 LEU 21 -6.324 20.770 4.516 165 HD12 LEU 21 HD12 LEU 21 -7.816 21.666 4.251 166 HD13 LEU 21 HD13 LEU 21 -7.702 19.986 3.754 167 HD21 LEU 21 HD21 LEU 21 -9.279 18.940 4.841 168 HD22 LEU 21 HD22 LEU 21 -10.061 20.316 5.614 169 HD23 LEU 21 HD23 LEU 21 -9.493 18.967 6.594 170 H ARG 22 HN ARG 22 -4.800 16.964 4.644 171 HA ARG 22 HA ARG 22 -3.676 15.776 7.164 172 HB2 ARG 22 HB2 ARG 22 -4.391 14.255 5.177 173 HB3 ARG 22 HB1 ARG 22 -2.981 14.921 4.356 174 HG2 ARG 22 HG2 ARG 22 -2.196 12.942 5.386 175 HG3 ARG 22 HG1 ARG 22 -1.640 14.250 6.422 176 HD2 ARG 22 HD2 ARG 22 -4.183 13.616 7.456 177 HD3 ARG 22 HD1 ARG 22 -3.500 12.064 7.045 178 HE ARG 22 HE ARG 22 -2.828 13.517 9.339 179 HH11 ARG 22 HH21 ARG 22 -1.163 12.207 6.609 180 HH12 ARG 22 HH22 ARG 22 0.349 12.076 7.439 181 HH21 ARG 22 HH11 ARG 22 -0.870 13.341 10.423 182 HH22 ARG 22 HH12 ARG 22 0.515 12.713 9.594 183 H GLU 23 HN GLU 23 -1.567 16.362 7.698 184 HA GLU 23 HA GLU 23 0.295 17.814 7.678 185 HB2 GLU 23 HB2 GLU 23 0.095 17.050 4.743 186 HB3 GLU 23 HB1 GLU 23 1.438 17.972 5.418 187 HG2 GLU 23 HG2 GLU 23 1.925 16.133 6.984 188 HG3 GLU 23 HG1 GLU 23 0.578 15.207 6.319 189 H GLU 24 HN GLU 24 -2.156 19.021 7.770 190 HA GLU 24 HA GLU 24 -3.382 20.931 7.254 191 HB2 GLU 24 HB2 GLU 24 -2.085 23.005 7.149 192 HB3 GLU 24 HB1 GLU 24 -1.443 21.946 8.395 193 HG2 GLU 24 HG2 GLU 24 0.439 21.342 7.037 194 HG3 GLU 24 HG1 GLU 24 -0.272 22.079 5.601 195 H SER 25 HN SER 25 -3.238 19.159 5.099 196 HA SER 25 HA SER 25 -3.527 21.074 2.882 197 HB2 SER 25 HB2 SER 25 -1.984 18.558 2.325 198 HB3 SER 25 HB1 SER 25 -1.987 20.075 1.432 199 HG SER 25 HG SER 25 -0.431 19.283 3.495 200 HA PRO 26 HA PRO 26 -7.101 18.435 2.237 201 HB2 PRO 26 HB2 PRO 26 -7.466 19.083 -0.512 202 HB3 PRO 26 HB1 PRO 26 -8.237 19.881 0.861 203 HG2 PRO 26 HG2 PRO 26 -6.040 20.853 -0.843 204 HG3 PRO 26 HG1 PRO 26 -7.053 21.760 0.286 205 HD2 PRO 26 HD2 PRO 26 -4.346 21.032 0.704 206 HD3 PRO 26 HD1 PRO 26 -5.467 21.657 1.931 207 H TYR 27 HN TYR 27 -7.076 16.292 1.873 208 HA TYR 27 HA TYR 27 -5.505 15.187 -0.439 209 HB2 TYR 27 HB2 TYR 27 -5.850 14.221 2.410 210 HB3 TYR 27 HB1 TYR 27 -5.608 13.043 1.136 211 HD1 TYR 27 HD2 TYR 27 -3.716 15.997 0.295 212 HD2 TYR 27 HD1 TYR 27 -3.735 12.558 2.857 213 HE1 TYR 27 HE2 TYR 27 -1.290 16.202 0.564 214 HE2 TYR 27 HE1 TYR 27 -1.283 12.774 3.143 215 HH TYR 27 HH TYR 27 0.661 13.963 1.471 216 H CYS 28 HN CYS 28 -6.684 13.679 -1.693 217 HA CYS 28 HA CYS 28 -9.557 13.853 -1.487 218 HB2 CYS 28 HB2 CYS 28 -9.601 12.123 -3.241 219 HB3 CYS 28 HB1 CYS 28 -8.447 13.378 -3.646 220 H VAL 29 HN VAL 29 -11.010 12.217 -0.737 221 HA VAL 29 HA VAL 29 -10.495 10.955 1.660 222 HB VAL 29 HB VAL 29 -12.174 9.650 -0.490 223 HG11 VAL 29 HG11 VAL 29 -13.550 9.002 1.401 224 HG12 VAL 29 HG12 VAL 29 -12.546 9.954 2.496 225 HG13 VAL 29 HG13 VAL 29 -11.882 8.521 1.710 226 HG21 VAL 29 HG21 VAL 29 -12.785 11.949 -0.625 227 HG22 VAL 29 HG22 VAL 29 -12.666 12.162 1.122 228 HG23 VAL 29 HG23 VAL 29 -13.985 11.213 0.437 229 H VAL 30 HN VAL 30 -10.235 9.440 -1.538 230 HA VAL 30 HA VAL 30 -9.303 6.921 -0.877 231 HB VAL 30 HB VAL 30 -8.076 8.541 -3.112 232 HG11 VAL 30 HG11 VAL 30 -8.164 6.359 -4.261 233 HG12 VAL 30 HG12 VAL 30 -8.895 5.637 -2.827 234 HG13 VAL 30 HG13 VAL 30 -7.244 6.252 -2.761 235 HG21 VAL 30 HG21 VAL 30 -10.402 9.037 -3.286 236 HG22 VAL 30 HG22 VAL 30 -10.863 7.394 -2.840 237 HG23 VAL 30 HG23 VAL 30 -10.125 7.708 -4.410 238 H CYS 31 HN CYS 31 -7.190 9.790 -1.442 239 HA CYS 31 HA CYS 31 -4.722 8.645 -0.891 240 HB2 CYS 31 HB2 CYS 31 -5.849 11.367 -0.483 241 HB3 CYS 31 HB1 CYS 31 -4.366 11.004 0.395 242 H PHE 32 HN PHE 32 -6.626 10.343 1.607 243 HA PHE 32 HA PHE 32 -5.230 9.554 3.870 244 HB2 PHE 32 HB2 PHE 32 -7.284 11.033 3.784 245 HB3 PHE 32 HB1 PHE 32 -8.258 9.565 3.712 246 HD1 PHE 32 HD1 PHE 32 -8.008 7.844 5.589 247 HD2 PHE 32 HD2 PHE 32 -6.468 11.847 5.851 248 HE1 PHE 32 HE1 PHE 32 -7.879 7.635 8.058 249 HE2 PHE 32 HE2 PHE 32 -6.340 11.638 8.317 250 HZ PHE 32 HZ PHE 32 -7.045 9.532 9.422 251 H GLU 33 HN GLU 33 -7.783 7.628 2.250 252 HA GLU 33 HA GLU 33 -7.575 5.437 4.099 253 HB2 GLU 33 HB2 GLU 33 -8.650 5.575 1.280 254 HB3 GLU 33 HB1 GLU 33 -8.870 4.209 2.374 255 HG2 GLU 33 HG2 GLU 33 -9.643 7.006 3.201 256 HG3 GLU 33 HG1 GLU 33 -10.742 5.988 2.285 257 H THR 34 HN THR 34 -6.622 5.501 0.641 258 HA THR 34 HA THR 34 -5.168 3.127 0.623 259 HB THR 34 HB THR 34 -5.721 4.856 -1.280 260 HG1 THR 34 HG1 THR 34 -4.848 3.274 -2.300 261 HG21 THR 34 HG21 THR 34 -3.921 6.232 -2.002 262 HG22 THR 34 HG22 THR 34 -2.805 5.504 -0.846 263 HG23 THR 34 HG23 THR 34 -4.102 6.550 -0.280 264 H LEU 35 HN LEU 35 -3.937 6.348 1.507 265 HA LEU 35 HA LEU 35 -1.224 5.664 1.844 266 HB2 LEU 35 HB2 LEU 35 -2.927 7.629 3.383 267 HB3 LEU 35 HB1 LEU 35 -1.176 7.543 3.515 268 HG LEU 35 HG LEU 35 -2.557 7.910 0.847 269 HD11 LEU 35 HD11 LEU 35 -2.173 10.323 1.105 270 HD12 LEU 35 HD12 LEU 35 -1.568 10.056 2.740 271 HD13 LEU 35 HD13 LEU 35 -3.258 9.723 2.360 272 HD21 LEU 35 HD21 LEU 35 0.260 8.287 1.900 273 HD22 LEU 35 HD22 LEU 35 -0.280 9.059 0.413 274 HD23 LEU 35 HD23 LEU 35 -0.274 7.304 0.538 275 H PHE 36 HN PHE 36 -3.674 5.805 4.454 276 HA PHE 36 HA PHE 36 -1.855 4.189 6.165 277 HB2 PHE 36 HB2 PHE 36 -4.504 5.264 7.088 278 HB3 PHE 36 HB1 PHE 36 -2.996 5.086 7.980 279 HD1 PHE 36 HD2 PHE 36 -1.080 6.356 6.034 280 HD2 PHE 36 HD1 PHE 36 -4.989 7.569 7.344 281 HE1 PHE 36 HE2 PHE 36 -0.516 8.710 5.530 282 HE2 PHE 36 HE1 PHE 36 -4.419 9.926 6.837 283 HZ PHE 36 HZ PHE 36 -2.183 10.496 5.930 284 H ALA 37 HN ALA 37 -4.311 3.481 4.022 285 HA ALA 37 HA ALA 37 -5.916 1.643 5.504 286 HB1 ALA 37 HB1 ALA 37 -6.174 0.534 3.152 287 HB2 ALA 37 HB2 ALA 37 -5.220 1.904 2.589 288 HB3 ALA 37 HB3 ALA 37 -6.770 2.177 3.382 289 H ASN 38 HN ASN 38 -5.818 -0.730 5.417 290 HA ASN 38 HA ASN 38 -3.060 -1.700 5.807 291 HB2 ASN 38 HB2 ASN 38 -5.806 -2.866 6.294 292 HB3 ASN 38 HB1 ASN 38 -4.340 -3.828 6.452 293 HD21 ASN 38 HD21 ASN 38 -2.556 -2.050 7.645 294 HD22 ASN 38 HD22 ASN 38 -3.148 -1.556 9.158 295 H THR 39 HN THR 39 -2.261 -3.601 4.670 296 HA THR 39 HA THR 39 -3.262 -3.734 1.880 297 HB THR 39 HB THR 39 -0.879 -5.237 2.980 298 HG1 THR 39 HG1 THR 39 -0.742 -3.016 3.568 299 HG21 THR 39 HG21 THR 39 -1.330 -3.942 0.281 300 HG22 THR 39 HG22 THR 39 -1.807 -5.602 0.635 301 HG23 THR 39 HG23 THR 39 -0.108 -5.136 0.716 302 H CYS 40 HN CYS 40 -4.281 -5.514 1.037 303 HA CYS 40 HA CYS 40 -5.029 -7.688 2.904 304 HB2 CYS 40 HB2 CYS 40 -6.853 -6.940 1.582 305 HB3 CYS 40 HB1 CYS 40 -5.888 -6.903 0.110 306 H GLU 41 HN GLU 41 -3.375 -9.055 3.158 307 HA GLU 41 HA GLU 41 -1.256 -9.686 1.519 308 HB2 GLU 41 HB2 GLU 41 -2.810 -11.672 3.196 309 HB3 GLU 41 HB1 GLU 41 -1.126 -11.817 2.696 310 HG2 GLU 41 HG2 GLU 41 -0.530 -9.820 3.966 311 HG3 GLU 41 HG1 GLU 41 -2.216 -9.543 4.388 312 H GLU 42 HN GLU 42 -4.572 -10.477 0.923 313 HA GLU 42 HA GLU 42 -3.887 -12.615 -1.006 314 HB2 GLU 42 HB2 GLU 42 -6.027 -12.484 0.509 315 HB3 GLU 42 HB1 GLU 42 -6.634 -11.393 -0.733 316 HG2 GLU 42 HG2 GLU 42 -5.604 -14.200 -1.233 317 HG3 GLU 42 HG1 GLU 42 -7.305 -13.737 -1.166 318 H CYS 43 HN CYS 43 -5.661 -9.494 -1.222 319 HA CYS 43 HA CYS 43 -5.324 -9.409 -4.117 320 HB2 CYS 43 HB2 CYS 43 -6.173 -7.203 -2.215 321 HB3 CYS 43 HB1 CYS 43 -6.396 -7.216 -3.963 322 H GLY 44 HN GLY 44 -3.884 -7.723 -1.340 323 HA2 GLY 44 HA2 GLY 44 -1.594 -6.985 -1.253 324 HA3 GLY 44 HA1 GLY 44 -1.517 -7.072 -3.015 325 H LYS 45 HN LYS 45 -4.389 -5.696 -2.596 326 HA LYS 45 HA LYS 45 -3.298 -2.972 -2.944 327 HB2 LYS 45 HB2 LYS 45 -5.963 -4.284 -3.456 328 HB3 LYS 45 HB1 LYS 45 -5.840 -2.528 -3.418 329 HG2 LYS 45 HG2 LYS 45 -5.579 -3.298 -5.716 330 HG3 LYS 45 HG1 LYS 45 -4.039 -2.656 -5.145 331 HD2 LYS 45 HD2 LYS 45 -3.129 -4.831 -4.826 332 HD3 LYS 45 HD1 LYS 45 -4.713 -5.596 -4.951 333 HE2 LYS 45 HE2 LYS 45 -3.433 -4.064 -7.227 334 HE3 LYS 45 HE1 LYS 45 -3.266 -5.808 -7.022 335 HZ1 LYS 45 HZ1 LYS 45 -5.680 -6.000 -7.080 336 HZ2 LYS 45 HZ2 LYS 45 -5.090 -5.284 -8.503 337 HZ3 LYS 45 HZ3 LYS 45 -5.824 -4.326 -7.308 338 HA PRO 46 HA PRO 46 -4.316 -1.658 1.167 339 HB2 PRO 46 HB2 PRO 46 -5.637 0.804 0.367 340 HB3 PRO 46 HB1 PRO 46 -4.016 0.609 1.044 341 HG2 PRO 46 HG2 PRO 46 -4.734 1.225 -1.689 342 HG3 PRO 46 HG1 PRO 46 -3.109 1.043 -1.011 343 HD2 PRO 46 HD2 PRO 46 -4.471 -0.768 -2.777 344 HD3 PRO 46 HD1 PRO 46 -2.875 -0.980 -2.031 345 H ILE 47 HN ILE 47 -6.115 -1.879 2.550 346 HA ILE 47 HA ILE 47 -8.711 -2.512 1.229 347 HB ILE 47 HB ILE 47 -7.922 -2.918 4.131 348 HG12 ILE 47 HG12 ILE 47 -7.759 -4.824 1.773 349 HG13 ILE 47 HG11 ILE 47 -6.389 -4.155 2.649 350 HG21 ILE 47 HG21 ILE 47 -10.353 -2.911 3.615 351 HG22 ILE 47 HG22 ILE 47 -9.804 -4.514 4.096 352 HG23 ILE 47 HG23 ILE 47 -10.086 -4.151 2.396 353 HD11 ILE 47 HD11 ILE 47 -7.747 -5.240 4.726 354 HD12 ILE 47 HD12 ILE 47 -6.547 -6.134 3.795 355 HD13 ILE 47 HD13 ILE 47 -8.261 -6.325 3.435 356 H GLY 48 HN GLY 48 -9.821 -0.615 0.940 357 HA2 GLY 48 HA2 GLY 48 -9.634 1.636 2.735 358 HA3 GLY 48 HA1 GLY 48 -10.834 1.444 1.457 359 H CYS 49 HN CYS 49 -11.074 2.298 4.355 360 HA CYS 49 HA CYS 49 -12.425 0.254 5.831 361 HB2 CYS 49 HB2 CYS 49 -11.610 2.375 6.840 362 HB3 CYS 49 HB1 CYS 49 -12.851 3.256 5.950 363 HG CYS 49 HG CYS 49 -14.550 2.529 7.605 364 H ASP 50 HN ASP 50 -13.302 1.861 2.993 365 HA ASP 50 HA ASP 50 -16.175 1.954 3.411 366 HB2 ASP 50 HB2 ASP 50 -16.292 2.400 1.008 367 HB3 ASP 50 HB1 ASP 50 -14.995 3.359 1.720 368 H CYS 51 HN CYS 51 -14.624 -0.626 3.865 369 HA CYS 51 HA CYS 51 -16.579 -2.380 2.535 370 HB2 CYS 51 HB2 CYS 51 -13.596 -2.602 2.035 371 HB3 CYS 51 HB1 CYS 51 -14.756 -3.875 1.653 372 HG CYS 51 HG CYS 51 -15.309 -2.654 -0.420 373 H LYS 52 HN LYS 52 -15.896 -4.789 3.236 374 HA LYS 52 HA LYS 52 -15.758 -4.698 6.159 375 HB2 LYS 52 HB2 LYS 52 -15.711 -7.204 4.475 376 HB3 LYS 52 HB1 LYS 52 -16.375 -6.980 6.094 377 HG2 LYS 52 HG2 LYS 52 -17.463 -5.816 3.515 378 HG3 LYS 52 HG1 LYS 52 -18.214 -7.069 4.503 379 HD2 LYS 52 HD2 LYS 52 -18.195 -5.359 6.415 380 HD3 LYS 52 HD1 LYS 52 -17.817 -4.151 5.186 381 HE2 LYS 52 HE2 LYS 52 -19.855 -4.881 3.921 382 HE3 LYS 52 HE1 LYS 52 -20.261 -5.941 5.270 383 HZ1 LYS 52 HZ1 LYS 52 -21.312 -3.655 5.253 384 HZ2 LYS 52 HZ2 LYS 52 -19.774 -3.047 5.643 385 HZ3 LYS 52 HZ3 LYS 52 -20.555 -4.129 6.695 386 H ASP 53 HN ASP 53 -13.657 -4.107 6.755 387 HA ASP 53 HA ASP 53 -11.341 -5.485 5.570 388 HB2 ASP 53 HB2 ASP 53 -10.049 -4.102 7.214 389 HB3 ASP 53 HB1 ASP 53 -11.086 -3.137 6.163 390 H LEU 54 HN LEU 54 -11.267 -7.625 6.209 391 HA LEU 54 HA LEU 54 -12.016 -8.448 8.874 392 HB2 LEU 54 HB2 LEU 54 -11.858 -9.741 6.505 393 HB3 LEU 54 HB1 LEU 54 -10.291 -10.191 7.137 394 HG LEU 54 HG LEU 54 -12.975 -11.211 7.841 395 HD11 LEU 54 HD11 LEU 54 -11.311 -12.704 7.034 396 HD12 LEU 54 HD12 LEU 54 -11.571 -13.109 8.726 397 HD13 LEU 54 HD13 LEU 54 -10.145 -12.190 8.251 398 HD21 LEU 54 HD21 LEU 54 -11.192 -10.258 10.080 399 HD22 LEU 54 HD22 LEU 54 -12.167 -11.700 10.288 400 HD23 LEU 54 HD23 LEU 54 -12.947 -10.165 9.946 401 H SER 55 HN SER 55 -10.695 -8.368 10.663 402 HA SER 55 HA SER 55 -7.735 -8.074 10.232 403 HB2 SER 55 HB2 SER 55 -9.172 -7.228 12.738 404 HB3 SER 55 HB1 SER 55 -7.621 -6.677 12.111 405 HG SER 55 HG SER 55 -9.948 -5.553 11.768 406 H TYR 56 HN TYR 56 -6.533 -9.761 10.957 407 HA TYR 56 HA TYR 56 -7.472 -11.337 13.291 408 HB2 TYR 56 HB2 TYR 56 -8.262 -12.295 10.956 409 HB3 TYR 56 HB1 TYR 56 -6.590 -12.837 10.827 410 HD1 TYR 56 HD1 TYR 56 -5.625 -14.172 12.777 411 HD2 TYR 56 HD2 TYR 56 -9.823 -13.531 12.247 412 HE1 TYR 56 HE1 TYR 56 -6.094 -16.094 14.273 413 HE2 TYR 56 HE2 TYR 56 -10.304 -15.452 13.740 414 HH TYR 56 HH TYR 56 -7.884 -17.671 14.722 415 H LYS 57 HN LYS 57 -5.755 -11.934 14.560 416 HA LYS 57 HA LYS 57 -3.540 -11.885 15.340 417 HB2 LYS 57 HB2 LYS 57 -3.668 -13.975 13.923 418 HB3 LYS 57 HB1 LYS 57 -2.936 -13.052 12.616 419 HG2 LYS 57 HG2 LYS 57 -0.959 -12.615 13.990 420 HG3 LYS 57 HG1 LYS 57 -1.714 -13.396 15.374 421 HD2 LYS 57 HD2 LYS 57 -1.360 -14.916 12.792 422 HD3 LYS 57 HD1 LYS 57 -0.007 -14.749 13.906 423 HE2 LYS 57 HE2 LYS 57 -1.496 -15.671 15.730 424 HE3 LYS 57 HE1 LYS 57 -2.703 -16.008 14.490 425 HZ1 LYS 57 HZ1 LYS 57 -0.003 -16.946 13.960 426 HZ2 LYS 57 HZ2 LYS 57 -1.498 -17.687 13.636 427 HZ3 LYS 57 HZ3 LYS 57 -0.841 -17.743 15.201 428 H ASP 58 HN ASP 58 -4.058 -9.398 14.696 429 HA ASP 58 HA ASP 58 -3.141 -7.365 13.991 430 HB2 ASP 58 HB2 ASP 58 -1.259 -8.316 15.336 431 HB3 ASP 58 HB1 ASP 58 -0.585 -8.978 13.846 432 H ARG 59 HN ARG 59 -3.741 -9.671 11.849 433 HA ARG 59 HA ARG 59 -2.323 -8.311 9.574 434 HB2 ARG 59 HB2 ARG 59 -3.540 -11.082 9.757 435 HB3 ARG 59 HB1 ARG 59 -2.896 -10.371 8.280 436 HG2 ARG 59 HG2 ARG 59 -0.693 -10.277 9.154 437 HG3 ARG 59 HG1 ARG 59 -1.243 -10.577 10.797 438 HD2 ARG 59 HD2 ARG 59 -2.022 -12.835 10.087 439 HD3 ARG 59 HD1 ARG 59 -1.342 -12.531 8.491 440 HE ARG 59 HE ARG 59 0.786 -12.083 10.206 441 HH11 ARG 59 HH21 ARG 59 -1.501 -14.606 9.663 442 HH12 ARG 59 HH22 ARG 59 -0.417 -15.872 10.137 443 HH21 ARG 59 HH11 ARG 59 2.214 -13.722 10.828 444 HH22 ARG 59 HH12 ARG 59 1.685 -15.371 10.797 445 H HIS 60 HN HIS 60 -3.704 -8.209 7.546 446 HA HIS 60 HA HIS 60 -6.585 -7.694 8.249 447 HB2 HIS 60 HB2 HIS 60 -4.770 -6.122 6.398 448 HB3 HIS 60 HB1 HIS 60 -6.503 -5.851 6.580 449 HD2 HIS 60 HD2 HIS 60 -7.275 -4.647 9.047 450 HE1 HIS 60 HE1 HIS 60 -3.349 -3.986 10.451 451 HE2 HIS 60 HE2 HIS 60 -5.804 -3.485 10.864 452 H TRP 61 HN TRP 61 -8.105 -8.175 6.612 453 HA TRP 61 HA TRP 61 -7.237 -9.329 4.057 454 HB2 TRP 61 HB2 TRP 61 -8.066 -10.995 6.404 455 HB3 TRP 61 HB1 TRP 61 -8.760 -11.455 4.855 456 HD1 TRP 61 HD1 TRP 61 -6.668 -11.445 2.812 457 HE1 TRP 61 HE1 TRP 61 -4.455 -12.760 2.994 458 HE3 TRP 61 HE3 TRP 61 -6.387 -12.019 7.881 459 HZ2 TRP 61 HZ2 TRP 61 -2.783 -13.891 5.016 460 HZ3 TRP 61 HZ3 TRP 61 -4.472 -13.214 8.906 461 HH2 TRP 61 HH2 TRP 61 -2.674 -14.153 7.480 462 H HIS 62 HN HIS 62 -9.034 -9.464 2.586 463 HA HIS 62 HA HIS 62 -11.359 -7.854 3.328 464 HB2 HIS 62 HB2 HIS 62 -10.703 -9.545 0.900 465 HB3 HIS 62 HB1 HIS 62 -12.252 -8.748 1.084 466 HD2 HIS 62 HD2 HIS 62 -11.809 -5.785 1.586 467 HE1 HIS 62 HE1 HIS 62 -8.429 -5.805 -0.942 468 HE2 HIS 62 HE2 HIS 62 -10.137 -4.326 0.214 469 H GLU 63 HN GLU 63 -13.199 -8.729 4.305 470 HA GLU 63 HA GLU 63 -13.340 -11.216 5.495 471 HB2 GLU 63 HB2 GLU 63 -15.028 -9.198 5.496 472 HB3 GLU 63 HB1 GLU 63 -15.845 -10.108 4.227 473 HG2 GLU 63 HG2 GLU 63 -15.782 -12.110 5.813 474 HG3 GLU 63 HG1 GLU 63 -15.292 -10.976 7.073 475 H ALA 64 HN ALA 64 -13.739 -10.544 2.089 476 HA ALA 64 HA ALA 64 -14.830 -13.241 1.534 477 HB1 ALA 64 HB1 ALA 64 -14.861 -12.461 -0.821 478 HB2 ALA 64 HB2 ALA 64 -14.100 -10.952 -0.314 479 HB3 ALA 64 HB3 ALA 64 -15.719 -11.358 0.256 480 H CYS 65 HN CYS 65 -11.725 -11.645 1.559 481 HA CYS 65 HA CYS 65 -10.473 -13.518 -0.316 482 HB2 CYS 65 HB2 CYS 65 -9.437 -11.367 1.513 483 HB3 CYS 65 HB1 CYS 65 -8.334 -12.463 0.687 484 H PHE 66 HN PHE 66 -10.869 -13.308 3.165 485 HA PHE 66 HA PHE 66 -8.897 -15.332 3.775 486 HB2 PHE 66 HB2 PHE 66 -10.110 -13.505 5.262 487 HB3 PHE 66 HB1 PHE 66 -11.274 -14.792 5.539 488 HD1 PHE 66 HD2 PHE 66 -9.934 -17.204 5.883 489 HD2 PHE 66 HD1 PHE 66 -8.516 -13.303 6.944 490 HE1 PHE 66 HE2 PHE 66 -8.423 -18.219 7.547 491 HE2 PHE 66 HE1 PHE 66 -6.988 -14.316 8.617 492 HZ PHE 66 HZ PHE 66 -6.942 -16.779 8.913 493 H HIS 67 HN HIS 67 -9.227 -17.276 2.704 494 HA HIS 67 HA HIS 67 -11.616 -18.809 3.473 495 HB2 HIS 67 HB2 HIS 67 -12.027 -19.433 1.038 496 HB3 HIS 67 HB1 HIS 67 -12.478 -17.788 1.488 497 HD2 HIS 67 HD2 HIS 67 -11.760 -17.925 -1.599 498 HE1 HIS 67 HE1 HIS 67 -7.840 -16.724 -0.589 499 HE2 HIS 67 HE2 HIS 67 -9.509 -16.947 -2.490 500 H CYS 68 HN CYS 68 -11.464 -21.100 2.408 501 HA CYS 68 HA CYS 68 -8.784 -22.131 3.013 502 HB2 CYS 68 HB2 CYS 68 -10.601 -23.482 3.806 503 HB3 CYS 68 HB1 CYS 68 -11.405 -23.444 2.242 504 H SER 69 HN SER 69 -7.387 -23.099 1.488 505 HA SER 69 HA SER 69 -7.598 -22.099 -1.217 506 HB2 SER 69 HB2 SER 69 -5.465 -22.625 0.129 507 HB3 SER 69 HB1 SER 69 -5.743 -24.304 -0.312 508 HG SER 69 HG SER 69 -4.391 -23.166 -1.805 509 H GLN 70 HN GLN 70 -8.612 -25.061 0.333 510 HA GLN 70 HA GLN 70 -8.948 -26.428 -2.296 511 HB2 GLN 70 HB2 GLN 70 -9.523 -27.522 0.466 512 HB3 GLN 70 HB1 GLN 70 -9.331 -28.436 -1.028 513 HG2 GLN 70 HG2 GLN 70 -7.108 -26.694 0.025 514 HG3 GLN 70 HG1 GLN 70 -7.308 -28.344 0.592 515 HE21 GLN 70 HE21 GLN 70 -5.631 -26.567 -1.625 516 HE22 GLN 70 HE22 GLN 70 -5.400 -27.742 -2.821 517 H CYS 71 HN CYS 71 -10.902 -25.623 0.579 518 HA CYS 71 HA CYS 71 -13.377 -26.267 -0.931 519 HB2 CYS 71 HB2 CYS 71 -13.335 -25.154 1.870 520 HB3 CYS 71 HB1 CYS 71 -14.489 -26.263 1.128 521 H ARG 72 HN ARG 72 -11.444 -23.557 -0.557 522 HA ARG 72 HA ARG 72 -11.852 -21.263 -0.790 523 HB2 ARG 72 HB2 ARG 72 -14.263 -22.086 -2.404 524 HB3 ARG 72 HB1 ARG 72 -13.192 -20.708 -2.649 525 HG2 ARG 72 HG2 ARG 72 -11.332 -22.292 -3.166 526 HG3 ARG 72 HG1 ARG 72 -12.480 -23.625 -3.044 527 HD2 ARG 72 HD2 ARG 72 -13.708 -22.889 -4.936 528 HD3 ARG 72 HD1 ARG 72 -12.960 -21.292 -4.903 529 HE ARG 72 HE ARG 72 -10.826 -23.011 -5.305 530 HH11 ARG 72 HH21 ARG 72 -13.893 -22.442 -6.772 531 HH12 ARG 72 HH22 ARG 72 -13.368 -22.900 -8.358 532 HH21 ARG 72 HH11 ARG 72 -10.124 -23.614 -7.366 533 HH22 ARG 72 HH12 ARG 72 -11.234 -23.564 -8.694 534 H ASN 73 HN ASN 73 -13.429 -22.937 1.284 535 HA ASN 73 HA ASN 73 -15.930 -21.554 1.686 536 HB2 ASN 73 HB2 ASN 73 -14.093 -23.117 3.505 537 HB3 ASN 73 HB1 ASN 73 -15.560 -22.348 4.112 538 HD21 ASN 73 HD21 ASN 73 -17.346 -22.778 2.046 539 HD22 ASN 73 HD22 ASN 73 -17.589 -24.439 1.817 540 H SER 74 HN SER 74 -16.294 -19.750 3.129 541 HA SER 74 HA SER 74 -13.959 -17.953 3.302 542 HB2 SER 74 HB2 SER 74 -16.763 -17.450 4.327 543 HB3 SER 74 HB1 SER 74 -15.532 -16.253 3.935 544 HG SER 74 HG SER 74 -15.829 -17.753 1.802 545 H LEU 75 HN LEU 75 -12.602 -18.760 4.959 546 HA LEU 75 HA LEU 75 -13.752 -19.519 7.549 547 HB2 LEU 75 HB2 LEU 75 -10.836 -19.017 6.970 548 HB3 LEU 75 HB1 LEU 75 -11.533 -20.045 8.211 549 HG LEU 75 HG LEU 75 -12.070 -20.627 5.293 550 HD11 LEU 75 HD11 LEU 75 -10.041 -22.294 5.693 551 HD12 LEU 75 HD12 LEU 75 -9.506 -21.019 6.778 552 HD13 LEU 75 HD13 LEU 75 -9.782 -20.667 5.076 553 HD21 LEU 75 HD21 LEU 75 -13.325 -21.811 7.050 554 HD22 LEU 75 HD22 LEU 75 -11.805 -22.340 7.773 555 HD23 LEU 75 HD23 LEU 75 -12.265 -22.911 6.168 556 H VAL 76 HN VAL 76 -14.399 -17.923 8.891 557 HA VAL 76 HA VAL 76 -12.596 -15.603 9.328 558 HB VAL 76 HB VAL 76 -15.570 -15.446 8.722 559 HG11 VAL 76 HG11 VAL 76 -13.663 -13.449 9.943 560 HG12 VAL 76 HG12 VAL 76 -15.236 -13.962 10.551 561 HG13 VAL 76 HG13 VAL 76 -15.135 -12.946 9.112 562 HG21 VAL 76 HG21 VAL 76 -14.680 -13.763 7.031 563 HG22 VAL 76 HG22 VAL 76 -14.248 -15.441 6.713 564 HG23 VAL 76 HG23 VAL 76 -13.064 -14.345 7.421 565 H ASP 77 HN ASP 77 -12.399 -15.235 11.529 566 HA ASP 77 HA ASP 77 -12.600 -15.781 13.804 567 HB2 ASP 77 HB2 ASP 77 -14.679 -15.241 14.763 568 HB3 ASP 77 HB1 ASP 77 -14.689 -14.327 13.259 569 H LYS 78 HN LYS 78 -12.882 -17.937 11.556 570 HA LYS 78 HA LYS 78 -13.978 -20.139 13.260 571 HB2 LYS 78 HB2 LYS 78 -13.874 -19.611 10.310 572 HB3 LYS 78 HB1 LYS 78 -13.741 -21.291 10.817 573 HG2 LYS 78 HG2 LYS 78 -15.867 -21.244 11.892 574 HG3 LYS 78 HG1 LYS 78 -15.940 -19.483 11.838 575 HD2 LYS 78 HD2 LYS 78 -17.391 -20.457 10.104 576 HD3 LYS 78 HD1 LYS 78 -16.057 -19.568 9.368 577 HE2 LYS 78 HE2 LYS 78 -14.898 -21.554 8.797 578 HE3 LYS 78 HE1 LYS 78 -15.869 -22.537 9.894 579 HZ1 LYS 78 HZ1 LYS 78 -17.272 -22.921 8.247 580 HZ2 LYS 78 HZ2 LYS 78 -16.342 -21.965 7.194 581 HZ3 LYS 78 HZ3 LYS 78 -17.594 -21.262 8.102 582 HA PRO 79 HA PRO 79 -9.840 -21.657 13.676 583 HB2 PRO 79 HB2 PRO 79 -10.306 -24.433 13.276 584 HB3 PRO 79 HB1 PRO 79 -10.352 -23.577 14.822 585 HG2 PRO 79 HG2 PRO 79 -12.601 -24.584 13.198 586 HG3 PRO 79 HG1 PRO 79 -12.592 -24.091 14.898 587 HD2 PRO 79 HD2 PRO 79 -13.707 -22.610 12.751 588 HD3 PRO 79 HD1 PRO 79 -13.377 -22.001 14.386 589 H PHE 80 HN PHE 80 -8.114 -21.892 12.234 590 HA PHE 80 HA PHE 80 -8.516 -23.302 9.668 591 HB2 PHE 80 HB2 PHE 80 -7.654 -21.378 8.335 592 HB3 PHE 80 HB1 PHE 80 -9.227 -21.043 9.070 593 HD1 PHE 80 HD1 PHE 80 -5.537 -20.533 9.534 594 HD2 PHE 80 HD2 PHE 80 -9.495 -19.204 10.526 595 HE1 PHE 80 HE1 PHE 80 -4.591 -18.559 10.697 596 HE2 PHE 80 HE2 PHE 80 -8.547 -17.232 11.689 597 HZ PHE 80 HZ PHE 80 -6.090 -16.908 11.771 598 H ALA 81 HN ALA 81 -6.520 -23.844 8.653 599 HA ALA 81 HA ALA 81 -4.200 -23.768 10.514 600 HB1 ALA 81 HB1 ALA 81 -3.331 -25.597 9.314 601 HB2 ALA 81 HB2 ALA 81 -4.253 -25.209 7.861 602 HB3 ALA 81 HB3 ALA 81 -5.067 -25.899 9.266 603 H ALA 82 HN ALA 82 -2.883 -22.050 10.232 604 HA ALA 82 HA ALA 82 -2.890 -20.525 7.742 605 HB1 ALA 82 HB1 ALA 82 -2.613 -19.197 9.677 606 HB2 ALA 82 HB2 ALA 82 -0.994 -19.268 8.990 607 HB3 ALA 82 HB3 ALA 82 -1.416 -20.289 10.366 608 H LYS 83 HN LYS 83 -1.880 -21.463 6.043 609 HA LYS 83 HA LYS 83 0.637 -22.976 6.444 610 HB2 LYS 83 HB2 LYS 83 -0.950 -24.007 4.946 611 HB3 LYS 83 HB1 LYS 83 -1.129 -22.521 4.025 612 HG2 LYS 83 HG2 LYS 83 0.984 -22.710 3.032 613 HG3 LYS 83 HG1 LYS 83 1.587 -23.790 4.291 614 HD2 LYS 83 HD2 LYS 83 0.144 -25.589 3.494 615 HD3 LYS 83 HD1 LYS 83 -0.577 -24.515 2.294 616 HE2 LYS 83 HE2 LYS 83 2.379 -25.174 2.395 617 HE3 LYS 83 HE1 LYS 83 1.222 -26.022 1.369 618 HZ1 LYS 83 HZ1 LYS 83 2.423 -24.144 0.280 619 HZ2 LYS 83 HZ2 LYS 83 1.596 -23.081 1.316 620 HZ3 LYS 83 HZ3 LYS 83 0.732 -24.037 0.209 621 H GLU 84 HN GLU 84 2.506 -22.386 5.043 622 HA GLU 84 HA GLU 84 3.584 -19.940 5.473 623 HB2 GLU 84 HB2 GLU 84 3.837 -21.706 3.041 624 HB3 GLU 84 HB1 GLU 84 4.791 -20.233 3.206 625 HG2 GLU 84 HG2 GLU 84 5.843 -21.026 5.205 626 HG3 GLU 84 HG1 GLU 84 4.707 -22.368 5.348 627 H ASP 85 HN ASP 85 1.789 -20.562 2.399 628 HA ASP 85 HA ASP 85 1.216 -17.609 2.302 629 HB2 ASP 85 HB2 ASP 85 2.139 -19.555 0.204 630 HB3 ASP 85 HB1 ASP 85 1.139 -18.192 -0.282 631 H GLN 86 HN GLN 86 -0.239 -20.554 2.790 632 HA GLN 86 HA GLN 86 -2.794 -19.614 1.504 633 HB2 GLN 86 HB2 GLN 86 -2.032 -22.509 1.891 634 HB3 GLN 86 HB1 GLN 86 -3.343 -21.849 0.919 635 HG2 GLN 86 HG2 GLN 86 -0.411 -21.320 0.363 636 HG3 GLN 86 HG1 GLN 86 -1.349 -22.589 -0.403 637 HE21 GLN 86 HE21 GLN 86 -0.338 -20.699 -2.126 638 HE22 GLN 86 HE22 GLN 86 -1.561 -19.648 -2.657 639 H LEU 87 HN LEU 87 -4.716 -20.720 2.451 640 HA LEU 87 HA LEU 87 -4.467 -21.236 5.377 641 HB2 LEU 87 HB2 LEU 87 -6.403 -19.427 3.906 642 HB3 LEU 87 HB1 LEU 87 -6.855 -20.163 5.442 643 HG LEU 87 HG LEU 87 -4.199 -18.761 5.254 644 HD11 LEU 87 HD11 LEU 87 -5.490 -17.005 4.376 645 HD12 LEU 87 HD12 LEU 87 -5.502 -16.681 6.109 646 HD13 LEU 87 HD13 LEU 87 -6.901 -17.434 5.341 647 HD21 LEU 87 HD21 LEU 87 -5.151 -20.121 7.260 648 HD22 LEU 87 HD22 LEU 87 -6.169 -18.713 7.525 649 HD23 LEU 87 HD23 LEU 87 -4.417 -18.552 7.576 650 H LEU 88 HN LEU 88 -5.552 -23.082 5.976 651 HA LEU 88 HA LEU 88 -7.396 -24.348 3.970 652 HB2 LEU 88 HB2 LEU 88 -5.067 -25.571 5.472 653 HB3 LEU 88 HB1 LEU 88 -6.296 -26.533 4.660 654 HG LEU 88 HG LEU 88 -4.919 -24.355 3.100 655 HD11 LEU 88 HD11 LEU 88 -3.727 -27.048 3.776 656 HD12 LEU 88 HD12 LEU 88 -3.012 -25.457 4.043 657 HD13 LEU 88 HD13 LEU 88 -3.205 -26.073 2.402 658 HD21 LEU 88 HD21 LEU 88 -6.771 -25.566 2.064 659 HD22 LEU 88 HD22 LEU 88 -5.985 -27.106 2.413 660 HD23 LEU 88 HD23 LEU 88 -5.258 -25.986 1.261 661 H CYS 89 HN CYS 89 -8.687 -26.151 5.027 662 HA CYS 89 HA CYS 89 -9.702 -25.199 7.626 663 HB2 CYS 89 HB2 CYS 89 -10.617 -27.662 6.120 664 HB3 CYS 89 HB1 CYS 89 -11.520 -26.706 7.290 665 H THR 90 HN THR 90 -9.359 -26.307 9.571 666 HA THR 90 HA THR 90 -7.084 -27.872 9.949 667 HB THR 90 HB THR 90 -7.849 -28.246 12.113 668 HG1 THR 90 HG1 THR 90 -10.520 -28.379 11.214 669 HG21 THR 90 HG21 THR 90 -9.071 -26.364 12.831 670 HG22 THR 90 HG22 THR 90 -10.017 -26.300 11.344 671 HG23 THR 90 HG23 THR 90 -8.319 -25.821 11.331 672 H ASP 91 HN ASP 91 -9.970 -28.755 8.374 673 HA ASP 91 HA ASP 91 -9.618 -31.657 8.743 674 HB2 ASP 91 HB2 ASP 91 -11.367 -30.288 6.699 675 HB3 ASP 91 HB1 ASP 91 -11.564 -31.897 7.388 676 H CYS 92 HN CYS 92 -9.338 -29.296 6.076 677 HA CYS 92 HA CYS 92 -8.137 -31.205 4.261 678 HB2 CYS 92 HB2 CYS 92 -7.735 -28.226 4.025 679 HB3 CYS 92 HB1 CYS 92 -7.961 -29.418 2.747 680 H TYR 93 HN TYR 93 -6.883 -28.716 6.470 681 HA TYR 93 HA TYR 93 -4.150 -28.876 5.732 682 HB2 TYR 93 HB2 TYR 93 -5.232 -27.247 7.356 683 HB3 TYR 93 HB1 TYR 93 -5.175 -28.531 8.556 684 HD1 TYR 93 HD2 TYR 93 -2.969 -26.720 6.112 685 HD2 TYR 93 HD1 TYR 93 -3.242 -28.839 9.840 686 HE1 TYR 93 HE2 TYR 93 -0.588 -26.211 6.579 687 HE2 TYR 93 HE1 TYR 93 -0.863 -28.339 10.302 688 HH TYR 93 HH TYR 93 0.790 -26.342 9.466 689 H SER 94 HN SER 94 -5.940 -30.673 8.222 690 HA SER 94 HA SER 94 -3.802 -32.316 9.099 691 HB2 SER 94 HB2 SER 94 -5.606 -33.910 9.801 692 HB3 SER 94 HB1 SER 94 -5.910 -32.253 10.313 693 HG SER 94 HG SER 94 -6.894 -32.624 7.853 694 H ASN 95 HN ASN 95 -5.630 -32.365 6.150 695 HA ASN 95 HA ASN 95 -5.071 -35.131 5.462 696 HB2 ASN 95 HB2 ASN 95 -6.919 -33.615 4.492 697 HB3 ASN 95 HB1 ASN 95 -5.649 -32.917 3.486 698 HD21 ASN 95 HD21 ASN 95 -5.855 -33.851 1.442 699 HD22 ASN 95 HD22 ASN 95 -6.062 -35.510 1.150 700 H GLU 96 HN GLU 96 -3.396 -32.070 5.079 701 HA GLU 96 HA GLU 96 -1.363 -33.309 3.294 702 HB2 GLU 96 HB2 GLU 96 -1.134 -30.506 4.373 703 HB3 GLU 96 HB1 GLU 96 -0.669 -31.139 2.792 704 HG2 GLU 96 HG2 GLU 96 -3.490 -30.662 3.787 705 HG3 GLU 96 HG1 GLU 96 -2.645 -29.746 2.543 706 H TYR 97 HN TYR 97 -1.713 -31.901 6.520 707 HA TYR 97 HA TYR 97 1.049 -32.268 7.290 708 HB2 TYR 97 HB2 TYR 97 -0.361 -30.707 8.505 709 HB3 TYR 97 HB1 TYR 97 -1.506 -31.982 8.898 710 HD1 TYR 97 HD2 TYR 97 1.936 -30.733 9.507 711 HD2 TYR 97 HD1 TYR 97 -1.114 -33.514 10.696 712 HE1 TYR 97 HE2 TYR 97 3.236 -31.285 11.545 713 HE2 TYR 97 HE1 TYR 97 0.188 -34.068 12.735 714 HH TYR 97 HH TYR 97 2.334 -32.350 14.067 715 H SER 98 HN SER 98 -1.616 -34.310 6.827 716 HA SER 98 HA SER 98 -0.966 -36.379 8.750 717 HB2 SER 98 HB2 SER 98 -3.143 -36.637 7.976 718 HB3 SER 98 HB1 SER 98 -2.723 -36.156 6.335 719 HG SER 98 HG SER 98 -2.315 -38.624 7.645 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -15.159 30.961 -0.933 2 H2 MET 1 HT2 MET 1 -14.076 32.057 -1.651 3 H3 MET 1 HT3 MET 1 -13.533 30.982 -0.453 4 HA MET 1 HA MET 1 -13.700 29.129 -1.846 5 HB2 MET 1 HB2 MET 1 -15.280 30.991 -3.641 6 HB3 MET 1 HB1 MET 1 -14.725 29.393 -4.142 7 HG2 MET 1 HG2 MET 1 -16.381 29.826 -1.649 8 HG3 MET 1 HG1 MET 1 -17.107 29.505 -3.224 9 HE1 MET 1 HE1 MET 1 -17.706 27.206 -3.952 10 HE2 MET 1 HE2 MET 1 -16.438 25.992 -4.100 11 HE3 MET 1 HE3 MET 1 -16.188 27.601 -4.771 12 H THR 2 HN THR 2 -12.051 31.742 -1.578 13 HA THR 2 HA THR 2 -10.756 32.009 -4.175 14 HB THR 2 HB THR 2 -10.887 33.868 -2.499 15 HG1 THR 2 HG1 THR 2 -8.571 32.925 -3.688 16 HG21 THR 2 HG21 THR 2 -10.415 32.274 -0.556 17 HG22 THR 2 HG22 THR 2 -9.573 33.824 -0.517 18 HG23 THR 2 HG23 THR 2 -8.718 32.369 -1.029 19 H GLU 3 HN GLU 3 -9.978 30.433 -1.089 20 HA GLU 3 HA GLU 3 -7.358 29.579 -1.663 21 HB2 GLU 3 HB2 GLU 3 -7.690 27.876 0.003 22 HB3 GLU 3 HB1 GLU 3 -8.607 29.285 0.520 23 HG2 GLU 3 HG2 GLU 3 -10.614 28.204 -0.691 24 HG3 GLU 3 HG1 GLU 3 -9.646 26.729 -0.715 25 H ARG 4 HN ARG 4 -6.855 27.137 -2.000 26 HA ARG 4 HA ARG 4 -8.108 26.377 -4.578 27 HB2 ARG 4 HB2 ARG 4 -5.621 25.400 -3.158 28 HB3 ARG 4 HB1 ARG 4 -6.131 24.899 -4.766 29 HG2 ARG 4 HG2 ARG 4 -5.689 27.797 -4.005 30 HG3 ARG 4 HG1 ARG 4 -4.411 26.800 -4.687 31 HD2 ARG 4 HD2 ARG 4 -6.356 26.329 -6.526 32 HD3 ARG 4 HD1 ARG 4 -6.835 27.942 -6.011 33 HE ARG 4 HE ARG 4 -4.710 27.360 -7.783 34 HH11 ARG 4 HH21 ARG 4 -5.252 29.167 -4.888 35 HH12 ARG 4 HH22 ARG 4 -3.854 30.160 -5.100 36 HH21 ARG 4 HH11 ARG 4 -2.907 28.664 -8.073 37 HH22 ARG 4 HH12 ARG 4 -2.534 29.884 -6.902 38 H PHE 5 HN PHE 5 -9.178 24.435 -4.839 39 HA PHE 5 HA PHE 5 -9.590 22.761 -2.382 40 HB2 PHE 5 HB2 PHE 5 -11.515 24.201 -3.481 41 HB3 PHE 5 HB1 PHE 5 -11.566 22.894 -4.656 42 HD1 PHE 5 HD1 PHE 5 -11.580 23.564 -0.985 43 HD2 PHE 5 HD2 PHE 5 -12.765 20.929 -4.153 44 HE1 PHE 5 HE1 PHE 5 -12.889 22.223 0.628 45 HE2 PHE 5 HE2 PHE 5 -14.082 19.580 -2.537 46 HZ PHE 5 HZ PHE 5 -14.142 20.220 -0.152 47 H ASP 6 HN ASP 6 -7.501 21.842 -3.472 48 HA ASP 6 HA ASP 6 -8.357 19.566 -5.213 49 HB2 ASP 6 HB2 ASP 6 -5.692 20.936 -5.572 50 HB3 ASP 6 HB1 ASP 6 -6.497 19.800 -6.655 51 H CYS 7 HN CYS 7 -7.191 17.639 -4.871 52 HA CYS 7 HA CYS 7 -6.325 17.183 -2.211 53 HB2 CYS 7 HB2 CYS 7 -7.065 15.322 -3.456 54 HB3 CYS 7 HB1 CYS 7 -5.954 15.644 -4.772 55 H HIS 8 HN HIS 8 -4.615 18.378 -1.457 56 HA HIS 8 HA HIS 8 -2.472 19.462 -2.850 57 HB2 HIS 8 HB2 HIS 8 -3.077 19.751 -0.408 58 HB3 HIS 8 HB1 HIS 8 -2.199 18.278 -0.087 59 HD2 HIS 8 HD2 HIS 8 0.646 18.465 -0.528 60 HE1 HIS 8 HE1 HIS 8 0.678 22.669 -0.915 61 HE2 HIS 8 HE2 HIS 8 2.135 20.607 -0.646 62 H HIS 9 HN HIS 9 -2.979 16.092 -2.142 63 HA HIS 9 HA HIS 9 -0.123 15.456 -2.577 64 HB2 HIS 9 HB2 HIS 9 -1.269 14.147 -0.901 65 HB3 HIS 9 HB1 HIS 9 -2.522 13.688 -2.040 66 HD2 HIS 9 HD2 HIS 9 -1.121 11.068 -1.047 67 HE1 HIS 9 HE1 HIS 9 1.573 11.360 -4.286 68 HE2 HIS 9 HE2 HIS 9 0.639 9.808 -2.507 69 H CYS 10 HN CYS 10 -3.155 14.249 -4.148 70 HA CYS 10 HA CYS 10 -1.636 13.536 -6.547 71 HB2 CYS 10 HB2 CYS 10 -4.644 13.726 -6.291 72 HB3 CYS 10 HB1 CYS 10 -3.726 12.765 -7.444 73 H ASN 11 HN ASN 11 -3.528 16.210 -5.421 74 HA ASN 11 HA ASN 11 -3.697 18.385 -6.247 75 HB2 ASN 11 HB2 ASN 11 -2.048 19.126 -7.652 76 HB3 ASN 11 HB1 ASN 11 -1.396 17.503 -7.497 77 HD21 ASN 11 HD21 ASN 11 -1.368 19.471 -9.834 78 HD22 ASN 11 HD22 ASN 11 -1.995 18.591 -11.143 79 H GLU 12 HN GLU 12 -5.387 15.928 -6.953 80 HA GLU 12 HA GLU 12 -6.707 16.914 -9.437 81 HB2 GLU 12 HB2 GLU 12 -7.910 14.816 -9.428 82 HB3 GLU 12 HB1 GLU 12 -6.212 14.454 -9.124 83 HG2 GLU 12 HG2 GLU 12 -6.776 14.535 -6.639 84 HG3 GLU 12 HG1 GLU 12 -8.468 14.548 -7.110 85 H SER 13 HN SER 13 -8.693 17.932 -9.347 86 HA SER 13 HA SER 13 -9.647 19.206 -7.060 87 HB2 SER 13 HB2 SER 13 -11.242 18.174 -9.418 88 HB3 SER 13 HB1 SER 13 -11.856 19.317 -8.227 89 HG SER 13 HG SER 13 -9.588 20.311 -8.935 90 H LEU 14 HN LEU 14 -10.842 18.542 -5.255 91 HA LEU 14 HA LEU 14 -11.096 15.774 -4.643 92 HB2 LEU 14 HB2 LEU 14 -12.604 18.168 -3.582 93 HB3 LEU 14 HB1 LEU 14 -12.806 16.560 -2.936 94 HG LEU 14 HG LEU 14 -11.232 17.851 -1.605 95 HD11 LEU 14 HD11 LEU 14 -9.475 15.891 -3.015 96 HD12 LEU 14 HD12 LEU 14 -10.954 15.293 -2.260 97 HD13 LEU 14 HD13 LEU 14 -9.745 16.130 -1.291 98 HD21 LEU 14 HD21 LEU 14 -9.269 18.801 -2.452 99 HD22 LEU 14 HD22 LEU 14 -10.487 19.209 -3.656 100 HD23 LEU 14 HD23 LEU 14 -9.363 17.879 -3.950 101 H PHE 15 HN PHE 15 -12.569 14.319 -5.268 102 HA PHE 15 HA PHE 15 -14.411 15.043 -7.379 103 HB2 PHE 15 HB2 PHE 15 -14.807 12.604 -7.483 104 HB3 PHE 15 HB1 PHE 15 -13.096 13.010 -7.502 105 HD1 PHE 15 HD2 PHE 15 -11.781 12.899 -5.250 106 HD2 PHE 15 HD1 PHE 15 -15.697 11.207 -5.812 107 HE1 PHE 15 HE2 PHE 15 -11.477 11.517 -3.225 108 HE2 PHE 15 HE1 PHE 15 -15.375 9.805 -3.793 109 HZ PHE 15 HZ PHE 15 -13.268 9.962 -2.501 110 H GLY 16 HN GLY 16 -16.218 16.148 -6.615 111 HA2 GLY 16 HA2 GLY 16 -18.311 16.409 -5.566 112 HA3 GLY 16 HA1 GLY 16 -18.481 14.741 -6.083 113 H LYS 17 HN LYS 17 -16.024 15.084 -3.660 114 HA LYS 17 HA LYS 17 -18.065 14.317 -1.571 115 HB2 LYS 17 HB2 LYS 17 -17.092 12.293 -2.508 116 HB3 LYS 17 HB1 LYS 17 -15.468 12.914 -2.222 117 HG2 LYS 17 HG2 LYS 17 -15.654 12.730 0.110 118 HG3 LYS 17 HG1 LYS 17 -17.416 12.680 0.070 119 HD2 LYS 17 HD2 LYS 17 -15.854 10.483 -1.284 120 HD3 LYS 17 HD1 LYS 17 -16.031 10.456 0.468 121 HE2 LYS 17 HE2 LYS 17 -18.444 10.837 -1.300 122 HE3 LYS 17 HE1 LYS 17 -17.817 9.224 -0.967 123 HZ1 LYS 17 HZ1 LYS 17 -18.840 9.281 0.976 124 HZ2 LYS 17 HZ2 LYS 17 -19.401 10.856 0.677 125 HZ3 LYS 17 HZ3 LYS 17 -17.905 10.615 1.445 126 H LYS 18 HN LYS 18 -17.401 14.471 0.607 127 HA LYS 18 HA LYS 18 -16.098 16.853 1.337 128 HB2 LYS 18 HB2 LYS 18 -16.015 15.931 3.617 129 HB3 LYS 18 HB1 LYS 18 -17.574 15.577 2.870 130 HG2 LYS 18 HG2 LYS 18 -16.586 13.352 2.154 131 HG3 LYS 18 HG1 LYS 18 -15.227 13.705 3.219 132 HD2 LYS 18 HD2 LYS 18 -16.746 13.896 5.135 133 HD3 LYS 18 HD1 LYS 18 -18.133 13.610 4.083 134 HE2 LYS 18 HE2 LYS 18 -17.564 11.518 5.171 135 HE3 LYS 18 HE1 LYS 18 -17.129 11.391 3.467 136 HZ1 LYS 18 HZ1 LYS 18 -15.207 10.672 4.396 137 HZ2 LYS 18 HZ2 LYS 18 -15.409 11.574 5.821 138 HZ3 LYS 18 HZ3 LYS 18 -14.868 12.334 4.401 139 H TYR 19 HN TYR 19 -13.999 16.856 2.734 140 HA TYR 19 HA TYR 19 -12.011 14.883 1.709 141 HB2 TYR 19 HB2 TYR 19 -10.534 16.653 0.959 142 HB3 TYR 19 HB1 TYR 19 -12.106 16.838 0.184 143 HD1 TYR 19 HD1 TYR 19 -13.834 18.395 1.370 144 HD2 TYR 19 HD2 TYR 19 -9.614 18.464 2.128 145 HE1 TYR 19 HE1 TYR 19 -14.045 20.676 2.312 146 HE2 TYR 19 HE2 TYR 19 -9.822 20.753 3.069 147 HH TYR 19 HH TYR 19 -11.217 22.376 3.659 148 H ILE 20 HN ILE 20 -10.014 14.909 2.894 149 HA ILE 20 HA ILE 20 -10.362 15.848 5.720 150 HB ILE 20 HB ILE 20 -8.612 13.654 4.571 151 HG12 ILE 20 HG12 ILE 20 -10.997 13.160 6.353 152 HG13 ILE 20 HG11 ILE 20 -11.273 13.439 4.638 153 HG21 ILE 20 HG21 ILE 20 -7.618 14.473 6.576 154 HG22 ILE 20 HG22 ILE 20 -8.500 13.019 7.042 155 HG23 ILE 20 HG23 ILE 20 -9.180 14.610 7.382 156 HD11 ILE 20 HD11 ILE 20 -10.969 11.002 5.323 157 HD12 ILE 20 HD12 ILE 20 -9.279 11.396 5.636 158 HD13 ILE 20 HD13 ILE 20 -9.937 11.565 4.008 159 H LEU 21 HN LEU 21 -8.727 17.104 6.653 160 HA LEU 21 HA LEU 21 -6.662 18.159 4.790 161 HB2 LEU 21 HB2 LEU 21 -7.482 19.030 7.580 162 HB3 LEU 21 HB1 LEU 21 -6.163 19.756 6.655 163 HG LEU 21 HG LEU 21 -8.308 21.035 6.505 164 HD11 LEU 21 HD11 LEU 21 -8.002 21.599 4.274 165 HD12 LEU 21 HD12 LEU 21 -7.759 19.935 3.770 166 HD13 LEU 21 HD13 LEU 21 -6.478 20.789 4.620 167 HD21 LEU 21 HD21 LEU 21 -10.239 20.156 5.493 168 HD22 LEU 21 HD22 LEU 21 -9.681 18.820 6.496 169 HD23 LEU 21 HD23 LEU 21 -9.365 18.813 4.759 170 H ARG 22 HN ARG 22 -4.827 17.015 4.755 171 HA ARG 22 HA ARG 22 -3.810 15.775 7.293 172 HB2 ARG 22 HB2 ARG 22 -4.341 14.321 5.214 173 HB3 ARG 22 HB1 ARG 22 -2.914 15.071 4.500 174 HG2 ARG 22 HG2 ARG 22 -2.106 13.086 5.496 175 HG3 ARG 22 HG1 ARG 22 -1.671 14.364 6.623 176 HD2 ARG 22 HD2 ARG 22 -4.236 13.592 7.474 177 HD3 ARG 22 HD1 ARG 22 -3.485 12.086 7.020 178 HE ARG 22 HE ARG 22 -2.981 13.430 9.422 179 HH11 ARG 22 HH21 ARG 22 -1.135 12.313 6.723 180 HH12 ARG 22 HH22 ARG 22 0.334 12.182 7.625 181 HH21 ARG 22 HH11 ARG 22 -1.077 13.250 10.601 182 HH22 ARG 22 HH12 ARG 22 0.368 12.707 9.815 183 H GLU 23 HN GLU 23 -1.770 16.412 7.999 184 HA GLU 23 HA GLU 23 0.052 17.900 8.173 185 HB2 GLU 23 HB2 GLU 23 0.090 17.248 5.207 186 HB3 GLU 23 HB1 GLU 23 1.370 18.143 6.027 187 HG2 GLU 23 HG2 GLU 23 1.760 16.247 7.536 188 HG3 GLU 23 HG1 GLU 23 0.448 15.351 6.771 189 H GLU 24 HN GLU 24 -2.605 18.971 7.809 190 HA GLU 24 HA GLU 24 -3.649 21.025 7.444 191 HB2 GLU 24 HB2 GLU 24 -0.904 22.154 6.847 192 HB3 GLU 24 HB1 GLU 24 -2.313 22.999 7.480 193 HG2 GLU 24 HG2 GLU 24 -0.755 20.834 8.922 194 HG3 GLU 24 HG1 GLU 24 -0.713 22.558 9.287 195 H SER 25 HN SER 25 -3.424 19.180 5.252 196 HA SER 25 HA SER 25 -3.685 21.114 3.046 197 HB2 SER 25 HB2 SER 25 -2.053 18.650 2.517 198 HB3 SER 25 HB1 SER 25 -2.072 20.175 1.638 199 HG SER 25 HG SER 25 -1.234 19.982 4.331 200 HA PRO 26 HA PRO 26 -7.155 18.395 2.225 201 HB2 PRO 26 HB2 PRO 26 -7.413 19.059 -0.535 202 HB3 PRO 26 HB1 PRO 26 -8.269 19.819 0.810 203 HG2 PRO 26 HG2 PRO 26 -6.031 20.876 -0.785 204 HG3 PRO 26 HG1 PRO 26 -7.117 21.738 0.310 205 HD2 PRO 26 HD2 PRO 26 -4.410 21.081 0.836 206 HD3 PRO 26 HD1 PRO 26 -5.599 21.661 2.020 207 H TYR 27 HN TYR 27 -7.031 16.253 1.858 208 HA TYR 27 HA TYR 27 -5.333 15.218 -0.397 209 HB2 TYR 27 HB2 TYR 27 -5.751 14.225 2.433 210 HB3 TYR 27 HB1 TYR 27 -5.415 13.064 1.165 211 HD1 TYR 27 HD2 TYR 27 -3.598 16.078 0.390 212 HD2 TYR 27 HD1 TYR 27 -3.595 12.655 2.977 213 HE1 TYR 27 HE2 TYR 27 -1.191 16.364 0.748 214 HE2 TYR 27 HE1 TYR 27 -1.164 12.956 3.351 215 HH TYR 27 HH TYR 27 0.685 15.358 1.545 216 H CYS 28 HN CYS 28 -6.409 13.687 -1.710 217 HA CYS 28 HA CYS 28 -9.291 13.754 -1.614 218 HB2 CYS 28 HB2 CYS 28 -9.208 12.043 -3.381 219 HB3 CYS 28 HB1 CYS 28 -8.077 13.334 -3.729 220 H VAL 29 HN VAL 29 -10.714 12.063 -0.937 221 HA VAL 29 HA VAL 29 -10.249 10.801 1.470 222 HB VAL 29 HB VAL 29 -11.804 9.461 -0.751 223 HG11 VAL 29 HG11 VAL 29 -13.187 8.684 1.046 224 HG12 VAL 29 HG12 VAL 29 -12.379 9.746 2.201 225 HG13 VAL 29 HG13 VAL 29 -11.513 8.374 1.508 226 HG21 VAL 29 HG21 VAL 29 -13.696 10.957 0.118 227 HG22 VAL 29 HG22 VAL 29 -12.482 11.741 -0.890 228 HG23 VAL 29 HG23 VAL 29 -12.436 11.941 0.862 229 H VAL 30 HN VAL 30 -9.819 9.328 -1.727 230 HA VAL 30 HA VAL 30 -8.832 6.831 -1.060 231 HB VAL 30 HB VAL 30 -7.576 8.523 -3.224 232 HG11 VAL 30 HG11 VAL 30 -7.560 6.345 -4.404 233 HG12 VAL 30 HG12 VAL 30 -8.283 5.586 -2.985 234 HG13 VAL 30 HG13 VAL 30 -6.662 6.273 -2.888 235 HG21 VAL 30 HG21 VAL 30 -10.324 7.263 -3.079 236 HG22 VAL 30 HG22 VAL 30 -9.538 7.634 -4.614 237 HG23 VAL 30 HG23 VAL 30 -9.914 8.931 -3.480 238 H CYS 31 HN CYS 31 -6.794 9.775 -1.504 239 HA CYS 31 HA CYS 31 -4.317 8.690 -0.861 240 HB2 CYS 31 HB2 CYS 31 -5.536 11.381 -0.467 241 HB3 CYS 31 HB1 CYS 31 -4.063 11.044 0.439 242 H PHE 32 HN PHE 32 -6.367 10.329 1.560 243 HA PHE 32 HA PHE 32 -5.044 9.548 3.872 244 HB2 PHE 32 HB2 PHE 32 -7.114 11.006 3.711 245 HB3 PHE 32 HB1 PHE 32 -8.063 9.524 3.604 246 HD1 PHE 32 HD1 PHE 32 -7.866 7.810 5.483 247 HD2 PHE 32 HD2 PHE 32 -6.366 11.822 5.803 248 HE1 PHE 32 HE1 PHE 32 -7.820 7.597 7.955 249 HE2 PHE 32 HE2 PHE 32 -6.317 11.611 8.271 250 HZ PHE 32 HZ PHE 32 -7.045 9.497 9.349 251 H GLU 33 HN GLU 33 -7.517 7.612 2.148 252 HA GLU 33 HA GLU 33 -7.373 5.410 3.985 253 HB2 GLU 33 HB2 GLU 33 -8.311 5.567 1.119 254 HB3 GLU 33 HB1 GLU 33 -8.569 4.186 2.184 255 HG2 GLU 33 HG2 GLU 33 -9.410 6.969 2.994 256 HG3 GLU 33 HG1 GLU 33 -10.457 5.935 2.035 257 H THR 34 HN THR 34 -6.259 5.495 0.576 258 HA THR 34 HA THR 34 -4.785 3.132 0.629 259 HB THR 34 HB THR 34 -5.281 4.828 -1.310 260 HG1 THR 34 HG1 THR 34 -2.780 3.548 -1.393 261 HG21 THR 34 HG21 THR 34 -3.760 6.574 -0.250 262 HG22 THR 34 HG22 THR 34 -3.486 6.248 -1.958 263 HG23 THR 34 HG23 THR 34 -2.407 5.561 -0.743 264 H LEU 35 HN LEU 35 -3.617 6.376 1.527 265 HA LEU 35 HA LEU 35 -0.917 5.728 1.980 266 HB2 LEU 35 HB2 LEU 35 -2.712 7.662 3.452 267 HB3 LEU 35 HB1 LEU 35 -0.968 7.597 3.667 268 HG LEU 35 HG LEU 35 -2.227 7.967 0.939 269 HD11 LEU 35 HD11 LEU 35 -1.892 10.378 1.229 270 HD12 LEU 35 HD12 LEU 35 -1.337 10.111 2.882 271 HD13 LEU 35 HD13 LEU 35 -3.009 9.759 2.445 272 HD21 LEU 35 HD21 LEU 35 0.535 8.363 2.124 273 HD22 LEU 35 HD22 LEU 35 0.056 9.141 0.618 274 HD23 LEU 35 HD23 LEU 35 0.074 7.386 0.731 275 H PHE 36 HN PHE 36 -3.470 5.819 4.493 276 HA PHE 36 HA PHE 36 -1.695 4.216 6.263 277 HB2 PHE 36 HB2 PHE 36 -4.382 5.266 7.099 278 HB3 PHE 36 HB1 PHE 36 -2.905 5.094 8.042 279 HD1 PHE 36 HD2 PHE 36 -0.925 6.392 6.192 280 HD2 PHE 36 HD1 PHE 36 -4.900 7.562 7.328 281 HE1 PHE 36 HE2 PHE 36 -0.362 8.753 5.721 282 HE2 PHE 36 HE1 PHE 36 -4.332 9.924 6.852 283 HZ PHE 36 HZ PHE 36 -2.063 10.521 6.048 284 H ALA 37 HN ALA 37 -4.078 3.483 4.039 285 HA ALA 37 HA ALA 37 -5.706 1.632 5.481 286 HB1 ALA 37 HB1 ALA 37 -5.901 0.519 3.128 287 HB2 ALA 37 HB2 ALA 37 -4.940 1.892 2.583 288 HB3 ALA 37 HB3 ALA 37 -6.510 2.160 3.338 289 H ASN 38 HN ASN 38 -5.586 -0.726 5.441 290 HA ASN 38 HA ASN 38 -2.829 -1.688 5.864 291 HB2 ASN 38 HB2 ASN 38 -5.581 -2.840 6.352 292 HB3 ASN 38 HB1 ASN 38 -4.127 -3.820 6.505 293 HD21 ASN 38 HD21 ASN 38 -6.197 -2.289 8.459 294 HD22 ASN 38 HD22 ASN 38 -5.146 -1.695 9.652 295 H THR 39 HN THR 39 -2.020 -3.602 4.747 296 HA THR 39 HA THR 39 -2.982 -3.739 1.948 297 HB THR 39 HB THR 39 -0.655 -5.286 3.105 298 HG1 THR 39 HG1 THR 39 0.576 -3.411 2.475 299 HG21 THR 39 HG21 THR 39 0.202 -4.991 0.798 300 HG22 THR 39 HG22 THR 39 -1.265 -4.109 0.376 301 HG23 THR 39 HG23 THR 39 -1.357 -5.814 0.815 302 H CYS 40 HN CYS 40 -3.983 -5.518 1.068 303 HA CYS 40 HA CYS 40 -4.820 -7.673 2.930 304 HB2 CYS 40 HB2 CYS 40 -6.622 -6.881 1.607 305 HB3 CYS 40 HB1 CYS 40 -5.651 -6.843 0.141 306 H GLU 41 HN GLU 41 -3.193 -9.079 3.179 307 HA GLU 41 HA GLU 41 -1.087 -9.738 1.534 308 HB2 GLU 41 HB2 GLU 41 -2.678 -11.699 3.205 309 HB3 GLU 41 HB1 GLU 41 -0.999 -11.881 2.698 310 HG2 GLU 41 HG2 GLU 41 -0.365 -9.881 3.958 311 HG3 GLU 41 HG1 GLU 41 -2.044 -9.600 4.410 312 H GLU 42 HN GLU 42 -4.419 -10.468 0.931 313 HA GLU 42 HA GLU 42 -3.772 -12.611 -1.005 314 HB2 GLU 42 HB2 GLU 42 -5.914 -12.444 0.494 315 HB3 GLU 42 HB1 GLU 42 -6.489 -11.321 -0.735 316 HG2 GLU 42 HG2 GLU 42 -5.524 -14.143 -1.280 317 HG3 GLU 42 HG1 GLU 42 -7.215 -13.649 -1.190 318 H CYS 43 HN CYS 43 -5.469 -9.448 -1.221 319 HA CYS 43 HA CYS 43 -5.106 -9.363 -4.115 320 HB2 CYS 43 HB2 CYS 43 -5.929 -7.143 -2.217 321 HB3 CYS 43 HB1 CYS 43 -6.140 -7.153 -3.967 322 H GLY 44 HN GLY 44 -3.664 -7.718 -1.316 323 HA2 GLY 44 HA2 GLY 44 -1.362 -7.018 -1.201 324 HA3 GLY 44 HA1 GLY 44 -1.268 -7.099 -2.963 325 H LYS 45 HN LYS 45 -4.125 -5.691 -2.560 326 HA LYS 45 HA LYS 45 -3.009 -2.978 -2.900 327 HB2 LYS 45 HB2 LYS 45 -5.743 -4.196 -3.327 328 HB3 LYS 45 HB1 LYS 45 -5.462 -2.460 -3.453 329 HG2 LYS 45 HG2 LYS 45 -3.997 -2.710 -5.297 330 HG3 LYS 45 HG1 LYS 45 -3.775 -4.434 -4.996 331 HD2 LYS 45 HD2 LYS 45 -5.272 -4.117 -6.908 332 HD3 LYS 45 HD1 LYS 45 -6.167 -4.816 -5.558 333 HE2 LYS 45 HE2 LYS 45 -7.187 -2.731 -5.021 334 HE3 LYS 45 HE1 LYS 45 -6.067 -1.835 -6.047 335 HZ1 LYS 45 HZ1 LYS 45 -8.146 -2.058 -7.176 336 HZ2 LYS 45 HZ2 LYS 45 -8.163 -3.740 -6.937 337 HZ3 LYS 45 HZ3 LYS 45 -7.009 -3.036 -7.967 338 HA PRO 46 HA PRO 46 -4.002 -1.698 1.232 339 HB2 PRO 46 HB2 PRO 46 -5.248 0.812 0.449 340 HB3 PRO 46 HB1 PRO 46 -3.645 0.562 1.152 341 HG2 PRO 46 HG2 PRO 46 -4.288 1.243 -1.580 342 HG3 PRO 46 HG1 PRO 46 -2.684 0.985 -0.879 343 HD2 PRO 46 HD2 PRO 46 -4.093 -0.744 -2.695 344 HD3 PRO 46 HD1 PRO 46 -2.512 -1.024 -1.940 345 H ILE 47 HN ILE 47 -5.820 -1.847 2.611 346 HA ILE 47 HA ILE 47 -8.426 -2.407 1.270 347 HB ILE 47 HB ILE 47 -7.666 -2.879 4.169 348 HG12 ILE 47 HG12 ILE 47 -7.535 -4.769 1.797 349 HG13 ILE 47 HG11 ILE 47 -6.150 -4.128 2.667 350 HG21 ILE 47 HG21 ILE 47 -10.087 -2.815 3.656 351 HG22 ILE 47 HG22 ILE 47 -9.580 -4.449 4.076 352 HG23 ILE 47 HG23 ILE 47 -9.848 -4.014 2.390 353 HD11 ILE 47 HD11 ILE 47 -7.513 -5.190 4.749 354 HD12 ILE 47 HD12 ILE 47 -6.338 -6.106 3.809 355 HD13 ILE 47 HD13 ILE 47 -8.058 -6.263 3.460 356 H GLY 48 HN GLY 48 -9.517 -0.491 1.030 357 HA2 GLY 48 HA2 GLY 48 -9.242 1.776 2.748 358 HA3 GLY 48 HA1 GLY 48 -10.574 1.521 1.623 359 H CYS 49 HN CYS 49 -10.722 2.590 4.336 360 HA CYS 49 HA CYS 49 -11.806 0.542 6.080 361 HB2 CYS 49 HB2 CYS 49 -11.802 3.559 6.096 362 HB3 CYS 49 HB1 CYS 49 -12.731 2.647 7.287 363 HG CYS 49 HG CYS 49 -9.698 2.005 6.993 364 H ASP 50 HN ASP 50 -13.020 2.335 3.412 365 HA ASP 50 HA ASP 50 -15.825 2.266 4.177 366 HB2 ASP 50 HB2 ASP 50 -14.735 3.832 2.461 367 HB3 ASP 50 HB1 ASP 50 -14.748 2.456 1.357 368 H CYS 51 HN CYS 51 -14.244 -0.281 4.258 369 HA CYS 51 HA CYS 51 -16.220 -1.945 2.814 370 HB2 CYS 51 HB2 CYS 51 -13.237 -2.356 2.444 371 HB3 CYS 51 HB1 CYS 51 -14.533 -3.290 1.697 372 HG CYS 51 HG CYS 51 -14.217 -1.611 -0.131 373 H LYS 52 HN LYS 52 -15.559 -4.394 3.367 374 HA LYS 52 HA LYS 52 -15.438 -4.492 6.297 375 HB2 LYS 52 HB2 LYS 52 -15.568 -6.761 4.286 376 HB3 LYS 52 HB1 LYS 52 -15.870 -6.888 6.016 377 HG2 LYS 52 HG2 LYS 52 -17.474 -4.974 4.316 378 HG3 LYS 52 HG1 LYS 52 -17.914 -6.676 4.407 379 HD2 LYS 52 HD2 LYS 52 -17.979 -6.469 6.910 380 HD3 LYS 52 HD1 LYS 52 -17.709 -4.736 6.729 381 HE2 LYS 52 HE2 LYS 52 -20.086 -5.070 6.933 382 HE3 LYS 52 HE1 LYS 52 -19.755 -4.660 5.250 383 HZ1 LYS 52 HZ1 LYS 52 -21.237 -6.703 5.862 384 HZ2 LYS 52 HZ2 LYS 52 -19.739 -7.483 6.039 385 HZ3 LYS 52 HZ3 LYS 52 -20.163 -6.778 4.553 386 H ASP 53 HN ASP 53 -13.324 -3.981 6.920 387 HA ASP 53 HA ASP 53 -11.047 -5.370 5.654 388 HB2 ASP 53 HB2 ASP 53 -9.710 -4.062 7.338 389 HB3 ASP 53 HB1 ASP 53 -10.705 -3.051 6.289 390 H LEU 54 HN LEU 54 -11.085 -7.536 6.243 391 HA LEU 54 HA LEU 54 -11.822 -8.386 8.892 392 HB2 LEU 54 HB2 LEU 54 -11.709 -9.640 6.507 393 HB3 LEU 54 HB1 LEU 54 -10.140 -10.127 7.105 394 HG LEU 54 HG LEU 54 -12.813 -11.155 7.796 395 HD11 LEU 54 HD11 LEU 54 -9.980 -12.109 8.252 396 HD12 LEU 54 HD12 LEU 54 -11.124 -12.636 7.020 397 HD13 LEU 54 HD13 LEU 54 -11.404 -13.043 8.707 398 HD21 LEU 54 HD21 LEU 54 -11.068 -10.226 10.081 399 HD22 LEU 54 HD22 LEU 54 -12.085 -11.650 10.249 400 HD23 LEU 54 HD23 LEU 54 -12.818 -10.092 9.901 401 H SER 55 HN SER 55 -10.496 -8.348 10.686 402 HA SER 55 HA SER 55 -7.530 -8.132 10.244 403 HB2 SER 55 HB2 SER 55 -8.948 -7.209 12.735 404 HB3 SER 55 HB1 SER 55 -7.375 -6.720 12.112 405 HG SER 55 HG SER 55 -9.033 -6.141 10.216 406 H TYR 56 HN TYR 56 -6.383 -9.853 10.957 407 HA TYR 56 HA TYR 56 -7.237 -11.291 13.388 408 HB2 TYR 56 HB2 TYR 56 -8.217 -12.293 11.069 409 HB3 TYR 56 HB1 TYR 56 -6.639 -13.072 11.046 410 HD1 TYR 56 HD1 TYR 56 -5.902 -14.388 13.091 411 HD2 TYR 56 HD2 TYR 56 -9.944 -13.084 12.510 412 HE1 TYR 56 HE1 TYR 56 -6.672 -16.049 14.764 413 HE2 TYR 56 HE2 TYR 56 -10.717 -14.738 14.184 414 HH TYR 56 HH TYR 56 -9.562 -17.166 15.038 415 H LYS 57 HN LYS 57 -5.472 -12.231 14.441 416 HA LYS 57 HA LYS 57 -3.203 -12.391 15.012 417 HB2 LYS 57 HB2 LYS 57 -3.597 -14.238 13.286 418 HB3 LYS 57 HB1 LYS 57 -2.833 -13.168 12.118 419 HG2 LYS 57 HG2 LYS 57 -0.807 -13.069 13.519 420 HG3 LYS 57 HG1 LYS 57 -1.575 -14.102 14.718 421 HD2 LYS 57 HD2 LYS 57 -1.320 -15.017 11.851 422 HD3 LYS 57 HD1 LYS 57 0.035 -15.188 12.963 423 HE2 LYS 57 HE2 LYS 57 -1.531 -16.405 14.543 424 HE3 LYS 57 HE1 LYS 57 -2.730 -16.396 13.251 425 HZ1 LYS 57 HZ1 LYS 57 -0.964 -18.338 13.575 426 HZ2 LYS 57 HZ2 LYS 57 -0.071 -17.329 12.540 427 HZ3 LYS 57 HZ3 LYS 57 -1.594 -17.910 12.060 428 H ASP 58 HN ASP 58 -3.818 -9.787 14.567 429 HA ASP 58 HA ASP 58 -2.902 -7.708 14.000 430 HB2 ASP 58 HB2 ASP 58 -1.011 -8.686 15.284 431 HB3 ASP 58 HB1 ASP 58 -0.354 -9.334 13.781 432 H ARG 59 HN ARG 59 -3.534 -9.863 11.759 433 HA ARG 59 HA ARG 59 -2.123 -8.436 9.529 434 HB2 ARG 59 HB2 ARG 59 -3.348 -11.202 9.681 435 HB3 ARG 59 HB1 ARG 59 -2.807 -10.460 8.180 436 HG2 ARG 59 HG2 ARG 59 -0.551 -10.358 8.925 437 HG3 ARG 59 HG1 ARG 59 -1.002 -10.723 10.585 438 HD2 ARG 59 HD2 ARG 59 -1.781 -12.959 9.873 439 HD3 ARG 59 HD1 ARG 59 -1.275 -12.597 8.226 440 HE ARG 59 HE ARG 59 1.015 -12.174 9.730 441 HH11 ARG 59 HH21 ARG 59 -1.282 -14.712 9.323 442 HH12 ARG 59 HH22 ARG 59 -0.141 -15.976 9.639 443 HH21 ARG 59 HH11 ARG 59 2.519 -13.810 10.145 444 HH22 ARG 59 HH12 ARG 59 2.011 -15.465 10.105 445 H HIS 60 HN HIS 60 -3.518 -8.233 7.525 446 HA HIS 60 HA HIS 60 -6.387 -7.700 8.261 447 HB2 HIS 60 HB2 HIS 60 -4.553 -6.121 6.434 448 HB3 HIS 60 HB1 HIS 60 -6.285 -5.838 6.599 449 HD2 HIS 60 HD2 HIS 60 -7.080 -4.718 9.115 450 HE1 HIS 60 HE1 HIS 60 -3.155 -3.985 10.486 451 HE2 HIS 60 HE2 HIS 60 -5.616 -3.550 10.934 452 H TRP 61 HN TRP 61 -7.930 -8.138 6.618 453 HA TRP 61 HA TRP 61 -7.074 -9.273 4.047 454 HB2 TRP 61 HB2 TRP 61 -7.945 -10.957 6.367 455 HB3 TRP 61 HB1 TRP 61 -8.638 -11.380 4.809 456 HD1 TRP 61 HD1 TRP 61 -6.532 -11.376 2.778 457 HE1 TRP 61 HE1 TRP 61 -4.354 -12.749 2.950 458 HE3 TRP 61 HE3 TRP 61 -6.305 -12.048 7.836 459 HZ2 TRP 61 HZ2 TRP 61 -2.729 -13.963 4.965 460 HZ3 TRP 61 HZ3 TRP 61 -4.431 -13.307 8.855 461 HH2 TRP 61 HH2 TRP 61 -2.649 -14.273 7.425 462 H HIS 62 HN HIS 62 -8.857 -9.358 2.567 463 HA HIS 62 HA HIS 62 -11.166 -7.725 3.303 464 HB2 HIS 62 HB2 HIS 62 -10.516 -9.412 0.870 465 HB3 HIS 62 HB1 HIS 62 -12.052 -8.587 1.045 466 HD2 HIS 62 HD2 HIS 62 -11.554 -5.635 1.571 467 HE1 HIS 62 HE1 HIS 62 -8.159 -5.706 -0.935 468 HE2 HIS 62 HE2 HIS 62 -9.844 -4.200 0.220 469 H GLU 63 HN GLU 63 -12.989 -8.589 4.316 470 HA GLU 63 HA GLU 63 -13.179 -11.095 5.444 471 HB2 GLU 63 HB2 GLU 63 -14.828 -9.038 5.488 472 HB3 GLU 63 HB1 GLU 63 -15.676 -9.923 4.222 473 HG2 GLU 63 HG2 GLU 63 -15.757 -11.914 5.732 474 HG3 GLU 63 HG1 GLU 63 -15.023 -10.939 7.007 475 H ALA 64 HN ALA 64 -13.558 -10.351 2.059 476 HA ALA 64 HA ALA 64 -14.735 -12.998 1.444 477 HB1 ALA 64 HB1 ALA 64 -14.992 -12.193 -0.782 478 HB2 ALA 64 HB2 ALA 64 -13.813 -10.906 -0.531 479 HB3 ALA 64 HB3 ALA 64 -15.384 -10.829 0.266 480 H CYS 65 HN CYS 65 -11.582 -11.487 1.483 481 HA CYS 65 HA CYS 65 -10.379 -13.378 -0.404 482 HB2 CYS 65 HB2 CYS 65 -9.284 -11.277 1.450 483 HB3 CYS 65 HB1 CYS 65 -8.215 -12.388 0.601 484 H PHE 66 HN PHE 66 -10.786 -13.195 3.071 485 HA PHE 66 HA PHE 66 -8.860 -15.264 3.685 486 HB2 PHE 66 HB2 PHE 66 -10.043 -13.416 5.166 487 HB3 PHE 66 HB1 PHE 66 -11.240 -14.675 5.428 488 HD1 PHE 66 HD2 PHE 66 -9.999 -17.113 5.806 489 HD2 PHE 66 HD1 PHE 66 -8.428 -13.261 6.832 490 HE1 PHE 66 HE2 PHE 66 -8.527 -18.171 7.484 491 HE2 PHE 66 HE1 PHE 66 -6.943 -14.316 8.517 492 HZ PHE 66 HZ PHE 66 -6.993 -16.774 8.839 493 H HIS 67 HN HIS 67 -9.213 -17.216 2.632 494 HA HIS 67 HA HIS 67 -11.662 -18.679 3.351 495 HB2 HIS 67 HB2 HIS 67 -12.000 -19.311 0.893 496 HB3 HIS 67 HB1 HIS 67 -12.460 -17.671 1.343 497 HD2 HIS 67 HD2 HIS 67 -11.783 -17.237 -1.557 498 HE1 HIS 67 HE1 HIS 67 -7.657 -17.000 -0.695 499 HE2 HIS 67 HE2 HIS 67 -9.432 -16.536 -2.451 500 H CYS 68 HN CYS 68 -11.551 -20.992 2.311 501 HA CYS 68 HA CYS 68 -8.899 -22.078 2.968 502 HB2 CYS 68 HB2 CYS 68 -10.740 -23.397 3.756 503 HB3 CYS 68 HB1 CYS 68 -11.548 -23.330 2.200 504 H SER 69 HN SER 69 -7.504 -23.079 1.456 505 HA SER 69 HA SER 69 -7.688 -22.097 -1.258 506 HB2 SER 69 HB2 SER 69 -5.568 -22.645 0.095 507 HB3 SER 69 HB1 SER 69 -5.874 -24.324 -0.327 508 HG SER 69 HG SER 69 -4.511 -22.883 -1.773 509 H GLN 70 HN GLN 70 -8.741 -25.033 0.316 510 HA GLN 70 HA GLN 70 -9.117 -26.410 -2.302 511 HB2 GLN 70 HB2 GLN 70 -9.691 -27.482 0.469 512 HB3 GLN 70 HB1 GLN 70 -9.518 -28.405 -1.022 513 HG2 GLN 70 HG2 GLN 70 -7.269 -26.690 0.020 514 HG3 GLN 70 HG1 GLN 70 -7.486 -28.338 0.584 515 HE21 GLN 70 HE21 GLN 70 -5.784 -26.584 -1.622 516 HE22 GLN 70 HE22 GLN 70 -5.579 -27.753 -2.829 517 H CYS 71 HN CYS 71 -11.036 -25.557 0.585 518 HA CYS 71 HA CYS 71 -13.533 -26.188 -0.882 519 HB2 CYS 71 HB2 CYS 71 -13.411 -24.981 1.880 520 HB3 CYS 71 HB1 CYS 71 -14.636 -26.044 1.186 521 H ARG 72 HN ARG 72 -11.548 -23.498 -0.589 522 HA ARG 72 HA ARG 72 -11.908 -21.207 -0.912 523 HB2 ARG 72 HB2 ARG 72 -14.329 -21.961 -2.534 524 HB3 ARG 72 HB1 ARG 72 -13.113 -20.726 -2.858 525 HG2 ARG 72 HG2 ARG 72 -11.428 -22.550 -3.201 526 HG3 ARG 72 HG1 ARG 72 -12.735 -23.724 -3.041 527 HD2 ARG 72 HD2 ARG 72 -13.920 -22.555 -4.930 528 HD3 ARG 72 HD1 ARG 72 -12.477 -21.565 -5.151 529 HE ARG 72 HE ARG 72 -11.513 -24.160 -5.238 530 HH11 ARG 72 HH21 ARG 72 -13.996 -22.360 -6.815 531 HH12 ARG 72 HH22 ARG 72 -13.887 -23.254 -8.294 532 HH21 ARG 72 HH11 ARG 72 -11.357 -25.337 -7.160 533 HH22 ARG 72 HH12 ARG 72 -12.394 -24.939 -8.490 534 H ASN 73 HN ASN 73 -13.558 -22.758 1.200 535 HA ASN 73 HA ASN 73 -16.018 -21.251 1.489 536 HB2 ASN 73 HB2 ASN 73 -14.342 -23.010 3.268 537 HB3 ASN 73 HB1 ASN 73 -15.618 -22.031 3.995 538 HD21 ASN 73 HD21 ASN 73 -17.679 -22.917 3.964 539 HD22 ASN 73 HD22 ASN 73 -18.175 -24.191 2.961 540 H SER 74 HN SER 74 -16.322 -19.470 3.009 541 HA SER 74 HA SER 74 -13.912 -17.762 3.175 542 HB2 SER 74 HB2 SER 74 -16.828 -17.296 3.851 543 HB3 SER 74 HB1 SER 74 -15.571 -16.092 4.124 544 HG SER 74 HG SER 74 -15.195 -16.005 1.952 545 H LEU 75 HN LEU 75 -12.602 -18.592 4.854 546 HA LEU 75 HA LEU 75 -13.817 -19.346 7.414 547 HB2 LEU 75 HB2 LEU 75 -10.876 -18.867 7.011 548 HB3 LEU 75 HB1 LEU 75 -11.663 -19.983 8.109 549 HG LEU 75 HG LEU 75 -11.966 -20.331 5.117 550 HD11 LEU 75 HD11 LEU 75 -9.770 -21.605 6.735 551 HD12 LEU 75 HD12 LEU 75 -9.508 -20.160 5.760 552 HD13 LEU 75 HD13 LEU 75 -10.008 -21.656 4.996 553 HD21 LEU 75 HD21 LEU 75 -12.436 -22.594 5.715 554 HD22 LEU 75 HD22 LEU 75 -13.339 -21.588 6.847 555 HD23 LEU 75 HD23 LEU 75 -11.832 -22.352 7.354 556 H VAL 76 HN VAL 76 -14.477 -17.751 8.753 557 HA VAL 76 HA VAL 76 -12.653 -15.457 9.244 558 HB VAL 76 HB VAL 76 -15.601 -15.257 8.543 559 HG11 VAL 76 HG11 VAL 76 -15.304 -13.813 10.422 560 HG12 VAL 76 HG12 VAL 76 -15.175 -12.776 9.001 561 HG13 VAL 76 HG13 VAL 76 -13.719 -13.287 9.855 562 HG21 VAL 76 HG21 VAL 76 -13.999 -15.286 6.653 563 HG22 VAL 76 HG22 VAL 76 -13.101 -13.966 7.399 564 HG23 VAL 76 HG23 VAL 76 -14.745 -13.699 6.827 565 H ASP 77 HN ASP 77 -12.434 -15.218 11.446 566 HA ASP 77 HA ASP 77 -12.758 -15.721 13.720 567 HB2 ASP 77 HB2 ASP 77 -14.626 -14.173 13.507 568 HB3 ASP 77 HB1 ASP 77 -15.641 -15.433 12.810 569 H LYS 78 HN LYS 78 -13.037 -17.839 11.416 570 HA LYS 78 HA LYS 78 -14.206 -20.044 13.074 571 HB2 LYS 78 HB2 LYS 78 -14.091 -19.470 10.129 572 HB3 LYS 78 HB1 LYS 78 -14.025 -21.160 10.618 573 HG2 LYS 78 HG2 LYS 78 -16.139 -21.009 11.740 574 HG3 LYS 78 HG1 LYS 78 -16.153 -19.250 11.614 575 HD2 LYS 78 HD2 LYS 78 -17.635 -20.185 9.915 576 HD3 LYS 78 HD1 LYS 78 -16.231 -19.464 9.129 577 HE2 LYS 78 HE2 LYS 78 -15.258 -21.567 8.670 578 HE3 LYS 78 HE1 LYS 78 -16.271 -22.395 9.854 579 HZ1 LYS 78 HZ1 LYS 78 -17.222 -21.145 7.333 580 HZ2 LYS 78 HZ2 LYS 78 -18.198 -21.940 8.475 581 HZ3 LYS 78 HZ3 LYS 78 -17.028 -22.809 7.600 582 HA PRO 79 HA PRO 79 -10.117 -21.674 13.469 583 HB2 PRO 79 HB2 PRO 79 -10.657 -24.419 12.883 584 HB3 PRO 79 HB1 PRO 79 -10.624 -23.664 14.481 585 HG2 PRO 79 HG2 PRO 79 -12.956 -24.516 12.902 586 HG3 PRO 79 HG1 PRO 79 -12.882 -24.065 14.612 587 HD2 PRO 79 HD2 PRO 79 -14.000 -22.498 12.523 588 HD3 PRO 79 HD1 PRO 79 -13.629 -21.947 14.169 589 H PHE 80 HN PHE 80 -8.387 -21.805 12.054 590 HA PHE 80 HA PHE 80 -8.697 -23.102 9.420 591 HB2 PHE 80 HB2 PHE 80 -7.833 -21.129 8.182 592 HB3 PHE 80 HB1 PHE 80 -9.417 -20.814 8.901 593 HD1 PHE 80 HD1 PHE 80 -5.734 -20.322 9.411 594 HD2 PHE 80 HD2 PHE 80 -9.695 -19.044 10.449 595 HE1 PHE 80 HE1 PHE 80 -4.795 -18.401 10.666 596 HE2 PHE 80 HE2 PHE 80 -8.757 -17.126 11.702 597 HZ PHE 80 HZ PHE 80 -6.301 -16.802 11.809 598 H ALA 81 HN ALA 81 -6.673 -23.649 8.496 599 HA ALA 81 HA ALA 81 -4.404 -23.536 10.418 600 HB1 ALA 81 HB1 ALA 81 -5.196 -25.689 9.198 601 HB2 ALA 81 HB2 ALA 81 -3.466 -25.347 9.223 602 HB3 ALA 81 HB3 ALA 81 -4.413 -25.000 7.775 603 H ALA 82 HN ALA 82 -3.093 -21.809 10.158 604 HA ALA 82 HA ALA 82 -3.051 -20.303 7.658 605 HB1 ALA 82 HB1 ALA 82 -1.675 -20.027 10.327 606 HB2 ALA 82 HB2 ALA 82 -2.830 -18.938 9.563 607 HB3 ALA 82 HB3 ALA 82 -1.180 -19.033 8.956 608 H LYS 83 HN LYS 83 -2.018 -21.291 5.998 609 HA LYS 83 HA LYS 83 0.520 -22.746 6.469 610 HB2 LYS 83 HB2 LYS 83 -1.023 -23.847 4.978 611 HB3 LYS 83 HB1 LYS 83 -1.226 -22.389 4.020 612 HG2 LYS 83 HG2 LYS 83 0.913 -22.543 3.069 613 HG3 LYS 83 HG1 LYS 83 1.508 -23.605 4.348 614 HD2 LYS 83 HD2 LYS 83 0.101 -25.429 3.542 615 HD3 LYS 83 HD1 LYS 83 -0.612 -24.373 2.321 616 HE2 LYS 83 HE2 LYS 83 1.514 -24.141 1.187 617 HE3 LYS 83 HE1 LYS 83 2.349 -25.001 2.480 618 HZ1 LYS 83 HZ1 LYS 83 1.955 -26.490 0.663 619 HZ2 LYS 83 HZ2 LYS 83 0.298 -26.115 0.645 620 HZ3 LYS 83 HZ3 LYS 83 0.968 -26.954 1.962 621 H GLU 84 HN GLU 84 2.390 -22.169 5.067 622 HA GLU 84 HA GLU 84 3.441 -19.705 5.438 623 HB2 GLU 84 HB2 GLU 84 3.710 -21.487 3.017 624 HB3 GLU 84 HB1 GLU 84 4.684 -20.033 3.221 625 HG2 GLU 84 HG2 GLU 84 5.516 -20.886 5.382 626 HG3 GLU 84 HG1 GLU 84 4.540 -22.341 5.183 627 H ASP 85 HN ASP 85 1.690 -20.415 2.357 628 HA ASP 85 HA ASP 85 1.073 -17.474 2.195 629 HB2 ASP 85 HB2 ASP 85 2.047 -19.449 0.146 630 HB3 ASP 85 HB1 ASP 85 1.041 -18.104 -0.377 631 H GLN 86 HN GLN 86 -0.340 -20.423 2.735 632 HA GLN 86 HA GLN 86 -2.893 -19.560 1.390 633 HB2 GLN 86 HB2 GLN 86 -2.064 -22.425 1.859 634 HB3 GLN 86 HB1 GLN 86 -3.401 -21.832 0.881 635 HG2 GLN 86 HG2 GLN 86 -0.501 -21.197 0.280 636 HG3 GLN 86 HG1 GLN 86 -1.369 -22.552 -0.419 637 HE21 GLN 86 HE21 GLN 86 -0.579 -19.343 -0.999 638 HE22 GLN 86 HE22 GLN 86 -1.822 -18.957 -2.088 639 H LEU 87 HN LEU 87 -4.810 -20.671 2.343 640 HA LEU 87 HA LEU 87 -4.586 -21.121 5.281 641 HB2 LEU 87 HB2 LEU 87 -6.522 -19.348 3.766 642 HB3 LEU 87 HB1 LEU 87 -6.977 -20.059 5.313 643 HG LEU 87 HG LEU 87 -4.340 -18.623 5.096 644 HD11 LEU 87 HD11 LEU 87 -5.692 -16.567 5.956 645 HD12 LEU 87 HD12 LEU 87 -7.071 -17.356 5.190 646 HD13 LEU 87 HD13 LEU 87 -5.671 -16.897 4.224 647 HD21 LEU 87 HD21 LEU 87 -6.248 -18.528 7.411 648 HD22 LEU 87 HD22 LEU 87 -4.490 -18.465 7.408 649 HD23 LEU 87 HD23 LEU 87 -5.316 -19.994 7.130 650 H LEU 88 HN LEU 88 -5.676 -22.952 5.908 651 HA LEU 88 HA LEU 88 -7.521 -24.252 3.926 652 HB2 LEU 88 HB2 LEU 88 -5.185 -25.450 5.436 653 HB3 LEU 88 HB1 LEU 88 -6.428 -26.430 4.666 654 HG LEU 88 HG LEU 88 -5.077 -24.299 3.022 655 HD11 LEU 88 HD11 LEU 88 -3.168 -25.389 4.030 656 HD12 LEU 88 HD12 LEU 88 -3.329 -25.962 2.370 657 HD13 LEU 88 HD13 LEU 88 -3.858 -26.981 3.709 658 HD21 LEU 88 HD21 LEU 88 -5.415 -26.001 1.246 659 HD22 LEU 88 HD22 LEU 88 -6.925 -25.554 2.043 660 HD23 LEU 88 HD23 LEU 88 -6.133 -27.079 2.442 661 H CYS 89 HN CYS 89 -8.817 -26.028 5.029 662 HA CYS 89 HA CYS 89 -9.812 -25.011 7.610 663 HB2 CYS 89 HB2 CYS 89 -10.732 -27.509 6.164 664 HB3 CYS 89 HB1 CYS 89 -11.627 -26.541 7.331 665 H THR 90 HN THR 90 -9.441 -26.063 9.579 666 HA THR 90 HA THR 90 -7.160 -27.617 9.968 667 HB THR 90 HB THR 90 -8.177 -26.804 11.940 668 HG1 THR 90 HG1 THR 90 -8.538 -28.662 13.136 669 HG21 THR 90 HG21 THR 90 -10.693 -28.120 10.900 670 HG22 THR 90 HG22 THR 90 -10.405 -26.400 11.160 671 HG23 THR 90 HG23 THR 90 -10.548 -27.488 12.540 672 H ASP 91 HN ASP 91 -10.055 -28.544 8.447 673 HA ASP 91 HA ASP 91 -9.690 -31.438 8.892 674 HB2 ASP 91 HB2 ASP 91 -11.539 -29.897 7.056 675 HB3 ASP 91 HB1 ASP 91 -11.573 -31.645 7.273 676 H CYS 92 HN CYS 92 -9.521 -29.162 6.141 677 HA CYS 92 HA CYS 92 -8.322 -31.081 4.351 678 HB2 CYS 92 HB2 CYS 92 -7.934 -28.099 4.090 679 HB3 CYS 92 HB1 CYS 92 -8.135 -29.301 2.817 680 H TYR 93 HN TYR 93 -7.038 -28.570 6.513 681 HA TYR 93 HA TYR 93 -4.320 -28.755 5.725 682 HB2 TYR 93 HB2 TYR 93 -5.333 -27.075 7.326 683 HB3 TYR 93 HB1 TYR 93 -5.296 -28.335 8.555 684 HD1 TYR 93 HD2 TYR 93 -3.057 -26.771 5.978 685 HD2 TYR 93 HD1 TYR 93 -3.376 -28.555 9.874 686 HE1 TYR 93 HE2 TYR 93 -0.651 -26.345 6.371 687 HE2 TYR 93 HE1 TYR 93 -0.968 -28.131 10.267 688 HH TYR 93 HH TYR 93 0.846 -26.028 8.453 689 H SER 94 HN SER 94 -6.069 -30.468 8.298 690 HA SER 94 HA SER 94 -3.973 -32.088 9.234 691 HB2 SER 94 HB2 SER 94 -5.994 -32.247 10.444 692 HB3 SER 94 HB1 SER 94 -6.947 -32.544 8.994 693 HG SER 94 HG SER 94 -5.782 -34.303 10.630 694 H ASN 95 HN ASN 95 -5.757 -32.248 6.237 695 HA ASN 95 HA ASN 95 -4.999 -34.964 5.561 696 HB2 ASN 95 HB2 ASN 95 -6.912 -33.562 4.543 697 HB3 ASN 95 HB1 ASN 95 -5.663 -32.793 3.564 698 HD21 ASN 95 HD21 ASN 95 -6.012 -33.735 1.515 699 HD22 ASN 95 HD22 ASN 95 -6.008 -35.408 1.228 700 H GLU 96 HN GLU 96 -3.484 -31.815 5.254 701 HA GLU 96 HA GLU 96 -1.383 -32.869 3.449 702 HB2 GLU 96 HB2 GLU 96 -1.269 -30.168 4.789 703 HB3 GLU 96 HB1 GLU 96 -0.674 -30.648 3.198 704 HG2 GLU 96 HG2 GLU 96 -3.127 -31.043 2.572 705 HG3 GLU 96 HG1 GLU 96 -3.531 -30.177 4.053 706 H TYR 97 HN TYR 97 -1.802 -31.789 6.784 707 HA TYR 97 HA TYR 97 0.960 -32.138 7.554 708 HB2 TYR 97 HB2 TYR 97 -0.441 -30.723 8.898 709 HB3 TYR 97 HB1 TYR 97 -1.639 -31.996 9.102 710 HD1 TYR 97 HD2 TYR 97 1.894 -31.072 9.888 711 HD2 TYR 97 HD1 TYR 97 -1.471 -33.551 10.880 712 HE1 TYR 97 HE2 TYR 97 3.072 -31.855 11.926 713 HE2 TYR 97 HE1 TYR 97 -0.293 -34.334 12.918 714 HH TYR 97 HH TYR 97 1.839 -33.029 14.422 715 H SER 98 HN SER 98 -1.796 -34.228 7.220 716 HA SER 98 HA SER 98 -0.914 -36.389 8.884 717 HB2 SER 98 HB2 SER 98 -3.161 -36.535 8.200 718 HB3 SER 98 HB1 SER 98 -2.769 -36.185 6.519 719 HG SER 98 HG SER 98 -1.784 -38.481 7.839 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -14.361 30.728 -0.627 2 H2 MET 1 HT2 MET 1 -15.707 31.182 -1.558 3 H3 MET 1 HT3 MET 1 -14.336 32.183 -1.498 4 HA MET 1 HA MET 1 -14.033 29.428 -2.459 5 HB2 MET 1 HB2 MET 1 -14.429 30.591 -4.809 6 HB3 MET 1 HB1 MET 1 -15.796 29.962 -3.893 7 HG2 MET 1 HG2 MET 1 -16.210 32.260 -4.749 8 HG3 MET 1 HG1 MET 1 -16.266 32.183 -2.990 9 HE1 MET 1 HE1 MET 1 -14.612 35.576 -4.594 10 HE2 MET 1 HE2 MET 1 -16.081 34.970 -3.834 11 HE3 MET 1 HE3 MET 1 -15.642 34.419 -5.449 12 H THR 2 HN THR 2 -12.509 31.740 -1.122 13 HA THR 2 HA THR 2 -10.606 32.536 -3.220 14 HB THR 2 HB THR 2 -11.268 34.087 -1.368 15 HG1 THR 2 HG1 THR 2 -8.885 34.364 -0.738 16 HG21 THR 2 HG21 THR 2 -11.269 32.155 0.336 17 HG22 THR 2 HG22 THR 2 -10.596 33.696 0.867 18 HG23 THR 2 HG23 THR 2 -9.520 32.379 0.400 19 H GLU 3 HN GLU 3 -10.597 30.504 -0.293 20 HA GLU 3 HA GLU 3 -7.862 29.722 -0.450 21 HB2 GLU 3 HB2 GLU 3 -8.443 27.953 1.066 22 HB3 GLU 3 HB1 GLU 3 -9.430 29.342 1.500 23 HG2 GLU 3 HG2 GLU 3 -11.207 28.293 -0.098 24 HG3 GLU 3 HG1 GLU 3 -10.255 26.817 0.066 25 H ARG 4 HN ARG 4 -7.270 27.340 -0.864 26 HA ARG 4 HA ARG 4 -8.204 26.671 -3.603 27 HB2 ARG 4 HB2 ARG 4 -5.838 25.700 -1.980 28 HB3 ARG 4 HB1 ARG 4 -6.166 25.277 -3.656 29 HG2 ARG 4 HG2 ARG 4 -5.954 28.167 -2.785 30 HG3 ARG 4 HG1 ARG 4 -4.517 27.236 -3.197 31 HD2 ARG 4 HD2 ARG 4 -5.716 26.669 -5.410 32 HD3 ARG 4 HD1 ARG 4 -6.846 27.953 -4.985 33 HE ARG 4 HE ARG 4 -4.370 29.155 -4.721 34 HH11 ARG 4 HH21 ARG 4 -6.017 27.340 -7.145 35 HH12 ARG 4 HH22 ARG 4 -5.243 28.150 -8.466 36 HH21 ARG 4 HH11 ARG 4 -3.350 30.224 -6.430 37 HH22 ARG 4 HH12 ARG 4 -3.732 29.784 -8.061 38 H PHE 5 HN PHE 5 -9.105 24.679 -4.077 39 HA PHE 5 HA PHE 5 -9.645 22.837 -1.775 40 HB2 PHE 5 HB2 PHE 5 -11.550 24.337 -2.833 41 HB3 PHE 5 HB1 PHE 5 -11.530 23.129 -4.109 42 HD1 PHE 5 HD1 PHE 5 -11.708 23.510 -0.405 43 HD2 PHE 5 HD2 PHE 5 -12.696 21.104 -3.811 44 HE1 PHE 5 HE1 PHE 5 -13.045 22.019 1.046 45 HE2 PHE 5 HE2 PHE 5 -14.042 19.601 -2.361 46 HZ PHE 5 HZ PHE 5 -14.212 20.051 0.064 47 H ASP 6 HN ASP 6 -7.495 22.055 -2.853 48 HA ASP 6 HA ASP 6 -8.229 19.932 -4.826 49 HB2 ASP 6 HB2 ASP 6 -5.583 21.379 -4.951 50 HB3 ASP 6 HB1 ASP 6 -6.324 20.335 -6.167 51 H CYS 7 HN CYS 7 -7.029 18.008 -4.615 52 HA CYS 7 HA CYS 7 -6.248 17.337 -1.968 53 HB2 CYS 7 HB2 CYS 7 -6.921 15.581 -3.400 54 HB3 CYS 7 HB1 CYS 7 -5.775 16.034 -4.642 55 H HIS 8 HN HIS 8 -4.584 18.517 -1.083 56 HA HIS 8 HA HIS 8 -2.431 19.746 -2.304 57 HB2 HIS 8 HB2 HIS 8 -3.070 19.797 0.129 58 HB3 HIS 8 HB1 HIS 8 -2.217 18.290 0.331 59 HD2 HIS 8 HD2 HIS 8 0.651 18.486 -0.153 60 HE1 HIS 8 HE1 HIS 8 0.718 22.700 0.102 61 HE2 HIS 8 HE2 HIS 8 2.158 20.610 0.045 62 H HIS 9 HN HIS 9 -2.888 16.314 -1.956 63 HA HIS 9 HA HIS 9 -0.015 15.776 -2.436 64 HB2 HIS 9 HB2 HIS 9 -1.153 14.309 -0.873 65 HB3 HIS 9 HB1 HIS 9 -2.370 13.906 -2.073 66 HD2 HIS 9 HD2 HIS 9 -0.905 11.257 -1.283 67 HE1 HIS 9 HE1 HIS 9 1.832 11.916 -4.433 68 HE2 HIS 9 HE2 HIS 9 0.920 10.185 -2.814 69 H CYS 10 HN CYS 10 -3.012 14.606 -4.085 70 HA CYS 10 HA CYS 10 -1.496 14.193 -6.562 71 HB2 CYS 10 HB2 CYS 10 -4.499 14.134 -6.249 72 HB3 CYS 10 HB1 CYS 10 -3.529 13.313 -7.466 73 H ASN 11 HN ASN 11 -2.883 16.817 -5.080 74 HA ASN 11 HA ASN 11 -3.505 18.952 -5.754 75 HB2 ASN 11 HB2 ASN 11 -2.111 19.976 -7.341 76 HB3 ASN 11 HB1 ASN 11 -1.126 18.644 -6.747 77 HD21 ASN 11 HD21 ASN 11 -3.250 19.601 -9.473 78 HD22 ASN 11 HD22 ASN 11 -2.559 18.528 -10.592 79 H GLU 12 HN GLU 12 -5.118 16.565 -6.705 80 HA GLU 12 HA GLU 12 -6.350 17.725 -9.168 81 HB2 GLU 12 HB2 GLU 12 -7.482 15.619 -9.425 82 HB3 GLU 12 HB1 GLU 12 -5.804 15.247 -9.034 83 HG2 GLU 12 HG2 GLU 12 -6.546 15.094 -6.600 84 HG3 GLU 12 HG1 GLU 12 -8.199 15.134 -7.186 85 H SER 13 HN SER 13 -8.398 18.633 -9.092 86 HA SER 13 HA SER 13 -9.457 19.705 -6.739 87 HB2 SER 13 HB2 SER 13 -10.990 18.812 -9.194 88 HB3 SER 13 HB1 SER 13 -11.598 19.915 -7.963 89 HG SER 13 HG SER 13 -10.640 20.935 -9.844 90 H LEU 14 HN LEU 14 -10.696 18.864 -5.042 91 HA LEU 14 HA LEU 14 -10.894 16.048 -4.666 92 HB2 LEU 14 HB2 LEU 14 -12.499 18.312 -3.471 93 HB3 LEU 14 HB1 LEU 14 -12.680 16.653 -2.963 94 HG LEU 14 HG LEU 14 -11.184 17.872 -1.479 95 HD11 LEU 14 HD11 LEU 14 -9.337 16.064 -2.974 96 HD12 LEU 14 HD12 LEU 14 -10.825 15.380 -2.317 97 HD13 LEU 14 HD13 LEU 14 -9.667 16.164 -1.247 98 HD21 LEU 14 HD21 LEU 14 -10.401 19.403 -3.387 99 HD22 LEU 14 HD22 LEU 14 -9.239 18.122 -3.747 100 HD23 LEU 14 HD23 LEU 14 -9.213 18.921 -2.178 101 H PHE 15 HN PHE 15 -12.325 14.609 -5.434 102 HA PHE 15 HA PHE 15 -14.094 15.456 -7.564 103 HB2 PHE 15 HB2 PHE 15 -14.456 13.024 -7.846 104 HB3 PHE 15 HB1 PHE 15 -12.751 13.450 -7.780 105 HD1 PHE 15 HD2 PHE 15 -11.508 13.200 -5.502 106 HD2 PHE 15 HD1 PHE 15 -15.382 11.509 -6.302 107 HE1 PHE 15 HE2 PHE 15 -11.249 11.685 -3.568 108 HE2 PHE 15 HE1 PHE 15 -15.106 9.976 -4.374 109 HZ PHE 15 HZ PHE 15 -13.042 10.066 -3.007 110 H GLY 16 HN GLY 16 -15.939 16.487 -6.794 111 HA2 GLY 16 HA2 GLY 16 -18.072 16.657 -5.814 112 HA3 GLY 16 HA1 GLY 16 -18.203 15.027 -6.452 113 H LYS 17 HN LYS 17 -15.842 15.154 -3.930 114 HA LYS 17 HA LYS 17 -17.969 14.294 -1.966 115 HB2 LYS 17 HB2 LYS 17 -16.994 12.321 -3.023 116 HB3 LYS 17 HB1 LYS 17 -15.375 12.870 -2.586 117 HG2 LYS 17 HG2 LYS 17 -15.730 12.520 -0.286 118 HG3 LYS 17 HG1 LYS 17 -17.486 12.519 -0.457 119 HD2 LYS 17 HD2 LYS 17 -17.341 10.384 -1.721 120 HD3 LYS 17 HD1 LYS 17 -15.593 10.378 -1.483 121 HE2 LYS 17 HE2 LYS 17 -16.746 8.961 0.193 122 HE3 LYS 17 HE1 LYS 17 -15.905 10.314 0.952 123 HZ1 LYS 17 HZ1 LYS 17 -18.767 10.427 0.198 124 HZ2 LYS 17 HZ2 LYS 17 -17.911 11.486 1.213 125 HZ3 LYS 17 HZ3 LYS 17 -18.244 9.901 1.723 126 H LYS 18 HN LYS 18 -17.374 14.248 0.226 127 HA LYS 18 HA LYS 18 -16.113 16.543 1.223 128 HB2 LYS 18 HB2 LYS 18 -16.689 13.840 2.434 129 HB3 LYS 18 HB1 LYS 18 -15.846 15.076 3.369 130 HG2 LYS 18 HG2 LYS 18 -17.700 16.644 3.003 131 HG3 LYS 18 HG1 LYS 18 -18.542 15.440 2.038 132 HD2 LYS 18 HD2 LYS 18 -17.701 14.839 4.876 133 HD3 LYS 18 HD1 LYS 18 -19.208 15.688 4.542 134 HE2 LYS 18 HE2 LYS 18 -19.811 13.763 2.980 135 HE3 LYS 18 HE1 LYS 18 -18.426 12.901 3.648 136 HZ1 LYS 18 HZ1 LYS 18 -20.147 12.223 4.994 137 HZ2 LYS 18 HZ2 LYS 18 -20.907 13.743 4.988 138 HZ3 LYS 18 HZ3 LYS 18 -19.491 13.501 5.895 139 H TYR 19 HN TYR 19 -14.081 16.443 2.670 140 HA TYR 19 HA TYR 19 -11.996 14.629 1.555 141 HB2 TYR 19 HB2 TYR 19 -10.548 16.484 0.992 142 HB3 TYR 19 HB1 TYR 19 -12.100 16.703 0.188 143 HD1 TYR 19 HD1 TYR 19 -13.896 18.122 1.455 144 HD2 TYR 19 HD2 TYR 19 -9.695 18.213 2.325 145 HE1 TYR 19 HE1 TYR 19 -14.179 20.313 2.576 146 HE2 TYR 19 HE2 TYR 19 -9.977 20.411 3.445 147 HH TYR 19 HH TYR 19 -12.810 21.595 4.477 148 H ILE 20 HN ILE 20 -10.040 14.621 2.818 149 HA ILE 20 HA ILE 20 -10.519 15.346 5.690 150 HB ILE 20 HB ILE 20 -8.684 13.256 4.484 151 HG12 ILE 20 HG12 ILE 20 -11.153 12.595 6.088 152 HG13 ILE 20 HG11 ILE 20 -11.344 12.997 4.386 153 HG21 ILE 20 HG21 ILE 20 -8.684 12.452 6.901 154 HG22 ILE 20 HG22 ILE 20 -9.444 13.988 7.319 155 HG23 ILE 20 HG23 ILE 20 -7.833 13.968 6.602 156 HD11 ILE 20 HD11 ILE 20 -9.869 11.213 3.713 157 HD12 ILE 20 HD12 ILE 20 -11.047 10.533 4.836 158 HD13 ILE 20 HD13 ILE 20 -9.410 10.891 5.385 159 H LEU 21 HN LEU 21 -8.937 16.548 6.771 160 HA LEU 21 HA LEU 21 -6.807 17.743 5.070 161 HB2 LEU 21 HB2 LEU 21 -7.741 18.415 7.881 162 HB3 LEU 21 HB1 LEU 21 -6.403 19.217 7.053 163 HG LEU 21 HG LEU 21 -8.552 20.482 6.916 164 HD11 LEU 21 HD11 LEU 21 -7.916 19.565 4.134 165 HD12 LEU 21 HD12 LEU 21 -6.666 20.370 5.073 166 HD13 LEU 21 HD13 LEU 21 -8.187 21.192 4.737 167 HD21 LEU 21 HD21 LEU 21 -9.542 18.376 4.997 168 HD22 LEU 21 HD22 LEU 21 -10.447 19.655 5.803 169 HD23 LEU 21 HD23 LEU 21 -9.899 18.255 6.722 170 H ARG 22 HN ARG 22 -4.936 16.639 5.051 171 HA ARG 22 HA ARG 22 -4.034 15.241 7.551 172 HB2 ARG 22 HB2 ARG 22 -4.436 13.870 5.411 173 HB3 ARG 22 HB1 ARG 22 -3.052 14.726 4.741 174 HG2 ARG 22 HG2 ARG 22 -2.081 12.775 5.610 175 HG3 ARG 22 HG1 ARG 22 -1.801 13.949 6.885 176 HD2 ARG 22 HD2 ARG 22 -3.679 13.086 8.168 177 HD3 ARG 22 HD1 ARG 22 -4.167 12.049 6.831 178 HE ARG 22 HE ARG 22 -1.572 11.251 7.386 179 HH11 ARG 22 HH21 ARG 22 -4.495 11.691 9.160 180 HH12 ARG 22 HH22 ARG 22 -4.148 10.434 10.300 181 HH21 ARG 22 HH11 ARG 22 -1.103 9.606 8.862 182 HH22 ARG 22 HH12 ARG 22 -2.227 9.253 10.131 183 H GLU 23 HN GLU 23 -2.016 15.835 8.375 184 HA GLU 23 HA GLU 23 -0.220 17.326 8.716 185 HB2 GLU 23 HB2 GLU 23 -0.074 16.872 5.717 186 HB3 GLU 23 HB1 GLU 23 1.162 17.736 6.632 187 HG2 GLU 23 HG2 GLU 23 0.264 14.947 7.380 188 HG3 GLU 23 HG1 GLU 23 1.581 15.237 6.243 189 H GLU 24 HN GLU 24 -2.898 18.367 8.279 190 HA GLU 24 HA GLU 24 -3.960 20.428 8.030 191 HB2 GLU 24 HB2 GLU 24 -1.217 21.650 7.652 192 HB3 GLU 24 HB1 GLU 24 -2.673 22.416 8.279 193 HG2 GLU 24 HG2 GLU 24 -1.074 20.218 9.621 194 HG3 GLU 24 HG1 GLU 24 -1.212 21.896 10.148 195 H SER 25 HN SER 25 -3.619 18.762 5.725 196 HA SER 25 HA SER 25 -3.802 20.853 3.655 197 HB2 SER 25 HB2 SER 25 -2.128 18.437 3.033 198 HB3 SER 25 HB1 SER 25 -2.136 20.010 2.244 199 HG SER 25 HG SER 25 -0.335 19.574 3.707 200 HA PRO 26 HA PRO 26 -7.212 18.168 2.510 201 HB2 PRO 26 HB2 PRO 26 -7.397 19.062 -0.192 202 HB3 PRO 26 HB1 PRO 26 -8.312 19.686 1.184 203 HG2 PRO 26 HG2 PRO 26 -6.056 20.926 -0.240 204 HG3 PRO 26 HG1 PRO 26 -7.183 21.661 0.905 205 HD2 PRO 26 HD2 PRO 26 -4.472 20.995 1.430 206 HD3 PRO 26 HD1 PRO 26 -5.695 21.464 2.630 207 H TYR 27 HN TYR 27 -7.048 16.074 1.968 208 HA TYR 27 HA TYR 27 -5.266 15.254 -0.308 209 HB2 TYR 27 HB2 TYR 27 -5.721 14.030 2.425 210 HB3 TYR 27 HB1 TYR 27 -5.320 12.985 1.079 211 HD1 TYR 27 HD2 TYR 27 -3.533 16.031 0.500 212 HD2 TYR 27 HD1 TYR 27 -3.566 12.544 3.004 213 HE1 TYR 27 HE2 TYR 27 -1.145 16.345 0.955 214 HE2 TYR 27 HE1 TYR 27 -1.157 12.876 3.474 215 HH TYR 27 HH TYR 27 0.538 14.427 3.361 216 H CYS 28 HN CYS 28 -6.280 13.834 -1.770 217 HA CYS 28 HA CYS 28 -9.156 13.823 -1.745 218 HB2 CYS 28 HB2 CYS 28 -8.988 12.257 -3.635 219 HB3 CYS 28 HB1 CYS 28 -7.868 13.587 -3.846 220 H VAL 29 HN VAL 29 -10.564 12.058 -1.240 221 HA VAL 29 HA VAL 29 -10.155 10.637 1.085 222 HB VAL 29 HB VAL 29 -11.597 9.427 -1.282 223 HG11 VAL 29 HG11 VAL 29 -12.111 9.433 1.700 224 HG12 VAL 29 HG12 VAL 29 -11.441 8.089 0.774 225 HG13 VAL 29 HG13 VAL 29 -13.100 8.618 0.487 226 HG21 VAL 29 HG21 VAL 29 -12.327 11.696 -1.273 227 HG22 VAL 29 HG22 VAL 29 -12.348 11.761 0.489 228 HG23 VAL 29 HG23 VAL 29 -13.556 10.808 -0.374 229 H VAL 30 HN VAL 30 -9.585 9.379 -2.187 230 HA VAL 30 HA VAL 30 -8.555 6.871 -1.632 231 HB VAL 30 HB VAL 30 -7.277 8.714 -3.655 232 HG11 VAL 30 HG11 VAL 30 -7.942 5.758 -3.658 233 HG12 VAL 30 HG12 VAL 30 -6.342 6.442 -3.368 234 HG13 VAL 30 HG13 VAL 30 -7.111 6.632 -4.945 235 HG21 VAL 30 HG21 VAL 30 -9.171 7.856 -5.154 236 HG22 VAL 30 HG22 VAL 30 -9.614 9.081 -3.966 237 HG23 VAL 30 HG23 VAL 30 -9.995 7.385 -3.668 238 H CYS 31 HN CYS 31 -6.581 9.882 -1.844 239 HA CYS 31 HA CYS 31 -4.099 8.819 -1.182 240 HB2 CYS 31 HB2 CYS 31 -5.395 11.456 -0.692 241 HB3 CYS 31 HB1 CYS 31 -3.948 11.110 0.249 242 H PHE 32 HN PHE 32 -6.259 10.279 1.264 243 HA PHE 32 HA PHE 32 -4.969 9.398 3.558 244 HB2 PHE 32 HB2 PHE 32 -7.042 10.829 3.476 245 HB3 PHE 32 HB1 PHE 32 -7.981 9.363 3.196 246 HD1 PHE 32 HD1 PHE 32 -7.866 7.487 4.923 247 HD2 PHE 32 HD2 PHE 32 -6.373 11.448 5.665 248 HE1 PHE 32 HE1 PHE 32 -7.915 7.050 7.364 249 HE2 PHE 32 HE2 PHE 32 -6.423 11.009 8.105 250 HZ PHE 32 HZ PHE 32 -7.194 8.811 8.955 251 H GLU 33 HN GLU 33 -7.323 7.508 1.633 252 HA GLU 33 HA GLU 33 -7.191 5.216 3.367 253 HB2 GLU 33 HB2 GLU 33 -8.064 5.497 0.490 254 HB3 GLU 33 HB1 GLU 33 -8.327 4.066 1.486 255 HG2 GLU 33 HG2 GLU 33 -9.229 6.794 2.406 256 HG3 GLU 33 HG1 GLU 33 -10.235 5.801 1.363 257 H THR 34 HN THR 34 -6.002 5.501 -0.008 258 HA THR 34 HA THR 34 -4.468 3.169 -0.029 259 HB THR 34 HB THR 34 -4.981 4.959 -1.894 260 HG1 THR 34 HG1 THR 34 -2.513 3.582 -1.901 261 HG21 THR 34 HG21 THR 34 -2.113 5.673 -1.267 262 HG22 THR 34 HG22 THR 34 -3.475 6.665 -0.757 263 HG23 THR 34 HG23 THR 34 -3.175 6.402 -2.471 264 H LEU 35 HN LEU 35 -3.404 6.403 1.032 265 HA LEU 35 HA LEU 35 -0.697 5.791 1.504 266 HB2 LEU 35 HB2 LEU 35 -2.541 7.634 3.032 267 HB3 LEU 35 HB1 LEU 35 -0.796 7.598 3.241 268 HG LEU 35 HG LEU 35 -2.072 8.050 0.534 269 HD11 LEU 35 HD11 LEU 35 -1.780 10.450 0.912 270 HD12 LEU 35 HD12 LEU 35 -1.197 10.133 2.547 271 HD13 LEU 35 HD13 LEU 35 -2.869 9.769 2.121 272 HD21 LEU 35 HD21 LEU 35 0.689 8.442 1.719 273 HD22 LEU 35 HD22 LEU 35 0.191 9.269 0.247 274 HD23 LEU 35 HD23 LEU 35 0.236 7.511 0.293 275 H PHE 36 HN PHE 36 -3.296 5.731 3.975 276 HA PHE 36 HA PHE 36 -1.517 4.092 5.710 277 HB2 PHE 36 HB2 PHE 36 -4.230 5.062 6.555 278 HB3 PHE 36 HB1 PHE 36 -2.758 4.886 7.504 279 HD1 PHE 36 HD2 PHE 36 -0.801 6.290 5.696 280 HD2 PHE 36 HD1 PHE 36 -4.791 7.338 6.895 281 HE1 PHE 36 HE2 PHE 36 -0.287 8.680 5.315 282 HE2 PHE 36 HE1 PHE 36 -4.270 9.731 6.514 283 HZ PHE 36 HZ PHE 36 -2.020 10.401 5.719 284 H ALA 37 HN ALA 37 -3.853 3.416 3.425 285 HA ALA 37 HA ALA 37 -5.512 1.512 4.735 286 HB1 ALA 37 HB1 ALA 37 -5.531 0.427 2.340 287 HB2 ALA 37 HB2 ALA 37 -4.607 1.859 1.889 288 HB3 ALA 37 HB3 ALA 37 -6.225 2.031 2.567 289 H ASN 38 HN ASN 38 -5.368 -0.829 4.707 290 HA ASN 38 HA ASN 38 -2.595 -1.789 5.138 291 HB2 ASN 38 HB2 ASN 38 -5.340 -2.869 5.796 292 HB3 ASN 38 HB1 ASN 38 -3.901 -3.873 5.915 293 HD21 ASN 38 HD21 ASN 38 -5.855 -2.085 7.847 294 HD22 ASN 38 HD22 ASN 38 -4.730 -1.535 8.993 295 H THR 39 HN THR 39 -1.862 -3.761 4.069 296 HA THR 39 HA THR 39 -2.942 -3.990 1.321 297 HB THR 39 HB THR 39 -0.603 -5.550 2.432 298 HG1 THR 39 HG1 THR 39 0.123 -3.298 1.177 299 HG21 THR 39 HG21 THR 39 -1.413 -6.105 0.178 300 HG22 THR 39 HG22 THR 39 0.172 -5.335 0.091 301 HG23 THR 39 HG23 THR 39 -1.279 -4.412 -0.298 302 H CYS 40 HN CYS 40 -3.963 -5.799 0.525 303 HA CYS 40 HA CYS 40 -4.773 -7.876 2.496 304 HB2 CYS 40 HB2 CYS 40 -6.626 -7.073 1.252 305 HB3 CYS 40 HB1 CYS 40 -5.733 -7.092 -0.265 306 H GLU 41 HN GLU 41 -3.139 -9.289 2.689 307 HA GLU 41 HA GLU 41 -1.144 -10.030 0.947 308 HB2 GLU 41 HB2 GLU 41 -2.669 -11.931 2.743 309 HB3 GLU 41 HB1 GLU 41 -1.020 -12.140 2.158 310 HG2 GLU 41 HG2 GLU 41 -0.312 -10.112 3.343 311 HG3 GLU 41 HG1 GLU 41 -1.963 -9.825 3.883 312 H GLU 42 HN GLU 42 -4.515 -10.710 0.540 313 HA GLU 42 HA GLU 42 -4.008 -12.910 -1.376 314 HB2 GLU 42 HB2 GLU 42 -6.058 -12.681 0.238 315 HB3 GLU 42 HB1 GLU 42 -6.689 -11.578 -0.982 316 HG2 GLU 42 HG2 GLU 42 -5.792 -14.425 -1.513 317 HG3 GLU 42 HG1 GLU 42 -7.469 -13.905 -1.344 318 H CYS 43 HN CYS 43 -5.603 -9.693 -1.545 319 HA CYS 43 HA CYS 43 -5.437 -9.689 -4.466 320 HB2 CYS 43 HB2 CYS 43 -6.122 -7.432 -2.556 321 HB3 CYS 43 HB1 CYS 43 -6.410 -7.443 -4.296 322 H GLY 44 HN GLY 44 -3.808 -8.010 -1.793 323 HA2 GLY 44 HA2 GLY 44 -1.500 -7.339 -1.816 324 HA3 GLY 44 HA1 GLY 44 -1.491 -7.489 -3.576 325 H LYS 45 HN LYS 45 -4.302 -6.003 -3.055 326 HA LYS 45 HA LYS 45 -3.145 -3.322 -3.543 327 HB2 LYS 45 HB2 LYS 45 -5.924 -4.484 -3.832 328 HB3 LYS 45 HB1 LYS 45 -5.588 -2.772 -4.070 329 HG2 LYS 45 HG2 LYS 45 -3.813 -3.484 -5.760 330 HG3 LYS 45 HG1 LYS 45 -4.491 -5.107 -5.653 331 HD2 LYS 45 HD2 LYS 45 -6.052 -2.616 -6.404 332 HD3 LYS 45 HD1 LYS 45 -5.444 -3.807 -7.551 333 HE2 LYS 45 HE2 LYS 45 -7.574 -4.174 -5.438 334 HE3 LYS 45 HE1 LYS 45 -7.711 -4.413 -7.178 335 HZ1 LYS 45 HZ1 LYS 45 -7.520 -6.513 -5.987 336 HZ2 LYS 45 HZ2 LYS 45 -6.018 -6.033 -5.354 337 HZ3 LYS 45 HZ3 LYS 45 -6.201 -6.274 -7.026 338 HA PRO 46 HA PRO 46 -3.975 -1.917 0.579 339 HB2 PRO 46 HB2 PRO 46 -5.213 0.591 -0.220 340 HB3 PRO 46 HB1 PRO 46 -3.588 0.335 0.428 341 HG2 PRO 46 HG2 PRO 46 -4.331 0.954 -2.297 342 HG3 PRO 46 HG1 PRO 46 -2.704 0.702 -1.649 343 HD2 PRO 46 HD2 PRO 46 -4.185 -1.063 -3.367 344 HD3 PRO 46 HD1 PRO 46 -2.585 -1.342 -2.653 345 H ILE 47 HN ILE 47 -5.739 -2.056 2.014 346 HA ILE 47 HA ILE 47 -8.390 -2.612 0.781 347 HB ILE 47 HB ILE 47 -7.543 -2.946 3.678 348 HG12 ILE 47 HG12 ILE 47 -7.540 -4.956 1.400 349 HG13 ILE 47 HG11 ILE 47 -6.107 -4.285 2.168 350 HG21 ILE 47 HG21 ILE 47 -9.846 -4.014 2.013 351 HG22 ILE 47 HG22 ILE 47 -9.959 -2.880 3.354 352 HG23 ILE 47 HG23 ILE 47 -9.488 -4.550 3.652 353 HD11 ILE 47 HD11 ILE 47 -7.374 -5.225 4.366 354 HD12 ILE 47 HD12 ILE 47 -6.255 -6.201 3.416 355 HD13 ILE 47 HD13 ILE 47 -7.992 -6.356 3.163 356 H GLY 48 HN GLY 48 -9.431 -0.690 0.441 357 HA2 GLY 48 HA2 GLY 48 -9.116 1.608 2.172 358 HA3 GLY 48 HA1 GLY 48 -10.301 1.452 0.877 359 H CYS 49 HN CYS 49 -10.887 2.598 3.414 360 HA CYS 49 HA CYS 49 -12.154 0.724 5.187 361 HB2 CYS 49 HB2 CYS 49 -12.523 3.694 4.735 362 HB3 CYS 49 HB1 CYS 49 -13.415 2.803 5.968 363 HG CYS 49 HG CYS 49 -10.653 3.793 6.345 364 H ASP 50 HN ASP 50 -12.988 1.842 2.083 365 HA ASP 50 HA ASP 50 -15.876 1.711 2.358 366 HB2 ASP 50 HB2 ASP 50 -14.098 1.530 -0.096 367 HB3 ASP 50 HB1 ASP 50 -15.853 1.703 -0.133 368 H CYS 51 HN CYS 51 -13.968 -0.630 3.107 369 HA CYS 51 HA CYS 51 -15.744 -2.737 2.021 370 HB2 CYS 51 HB2 CYS 51 -12.723 -2.891 1.771 371 HB3 CYS 51 HB1 CYS 51 -13.879 -4.126 1.272 372 HG CYS 51 HG CYS 51 -13.340 -2.713 -0.850 373 H LYS 52 HN LYS 52 -15.441 -4.792 3.238 374 HA LYS 52 HA LYS 52 -15.051 -4.254 6.065 375 HB2 LYS 52 HB2 LYS 52 -15.323 -6.962 4.731 376 HB3 LYS 52 HB1 LYS 52 -15.670 -6.567 6.409 377 HG2 LYS 52 HG2 LYS 52 -17.152 -5.212 4.147 378 HG3 LYS 52 HG1 LYS 52 -17.671 -6.771 4.769 379 HD2 LYS 52 HD2 LYS 52 -17.314 -4.282 6.472 380 HD3 LYS 52 HD1 LYS 52 -18.855 -4.846 5.838 381 HE2 LYS 52 HE2 LYS 52 -18.964 -5.905 7.880 382 HE3 LYS 52 HE1 LYS 52 -18.004 -7.130 7.053 383 HZ1 LYS 52 HZ1 LYS 52 -16.326 -5.067 8.001 384 HZ2 LYS 52 HZ2 LYS 52 -16.319 -6.718 8.404 385 HZ3 LYS 52 HZ3 LYS 52 -17.294 -5.632 9.274 386 H ASP 53 HN ASP 53 -12.940 -3.834 6.633 387 HA ASP 53 HA ASP 53 -10.727 -5.361 5.467 388 HB2 ASP 53 HB2 ASP 53 -9.315 -4.000 6.960 389 HB3 ASP 53 HB1 ASP 53 -10.447 -2.979 6.073 390 H LEU 54 HN LEU 54 -10.762 -7.498 6.123 391 HA LEU 54 HA LEU 54 -11.472 -8.252 8.820 392 HB2 LEU 54 HB2 LEU 54 -11.492 -9.580 6.477 393 HB3 LEU 54 HB1 LEU 54 -9.909 -10.089 7.018 394 HG LEU 54 HG LEU 54 -12.568 -11.033 7.853 395 HD11 LEU 54 HD11 LEU 54 -10.947 -12.574 7.052 396 HD12 LEU 54 HD12 LEU 54 -11.166 -12.925 8.762 397 HD13 LEU 54 HD13 LEU 54 -9.743 -12.040 8.222 398 HD21 LEU 54 HD21 LEU 54 -12.466 -9.908 9.922 399 HD22 LEU 54 HD22 LEU 54 -10.714 -10.076 10.036 400 HD23 LEU 54 HD23 LEU 54 -11.748 -11.469 10.289 401 H SER 55 HN SER 55 -10.081 -8.188 10.562 402 HA SER 55 HA SER 55 -7.131 -8.002 10.017 403 HB2 SER 55 HB2 SER 55 -7.019 -6.911 12.252 404 HB3 SER 55 HB1 SER 55 -8.032 -6.020 11.121 405 HG SER 55 HG SER 55 -9.020 -7.953 12.948 406 H TYR 56 HN TYR 56 -5.921 -9.713 10.674 407 HA TYR 56 HA TYR 56 -6.710 -11.254 13.067 408 HB2 TYR 56 HB2 TYR 56 -7.729 -12.199 10.774 409 HB3 TYR 56 HB1 TYR 56 -6.119 -12.889 10.609 410 HD1 TYR 56 HD1 TYR 56 -5.190 -14.205 12.628 411 HD2 TYR 56 HD2 TYR 56 -9.343 -13.264 12.140 412 HE1 TYR 56 HE1 TYR 56 -5.778 -16.011 14.220 413 HE2 TYR 56 HE2 TYR 56 -9.936 -15.070 13.731 414 HH TYR 56 HH TYR 56 -7.587 -17.371 14.863 415 H LYS 57 HN LYS 57 -4.889 -12.028 14.120 416 HA LYS 57 HA LYS 57 -2.604 -12.076 14.655 417 HB2 LYS 57 HB2 LYS 57 -2.958 -14.076 13.131 418 HB3 LYS 57 HB1 LYS 57 -2.311 -13.095 11.823 419 HG2 LYS 57 HG2 LYS 57 -0.222 -12.766 13.111 420 HG3 LYS 57 HG1 LYS 57 -0.877 -13.740 14.422 421 HD2 LYS 57 HD2 LYS 57 -0.779 -14.913 11.648 422 HD3 LYS 57 HD1 LYS 57 0.704 -14.841 12.596 423 HE2 LYS 57 HE2 LYS 57 -1.813 -15.976 13.808 424 HE3 LYS 57 HE1 LYS 57 -0.785 -16.972 12.780 425 HZ1 LYS 57 HZ1 LYS 57 1.103 -16.230 14.247 426 HZ2 LYS 57 HZ2 LYS 57 -0.020 -17.287 14.960 427 HZ3 LYS 57 HZ3 LYS 57 -0.066 -15.626 15.316 428 H ASP 58 HN ASP 58 -3.141 -9.541 14.184 429 HA ASP 58 HA ASP 58 -2.287 -7.488 13.442 430 HB2 ASP 58 HB2 ASP 58 -0.327 -8.507 14.645 431 HB3 ASP 58 HB1 ASP 58 0.260 -9.084 13.085 432 H ARG 59 HN ARG 59 -3.035 -9.731 11.303 433 HA ARG 59 HA ARG 59 -1.744 -8.362 8.965 434 HB2 ARG 59 HB2 ARG 59 -2.929 -11.134 9.249 435 HB3 ARG 59 HB1 ARG 59 -2.468 -10.424 7.705 436 HG2 ARG 59 HG2 ARG 59 -0.183 -10.297 8.324 437 HG3 ARG 59 HG1 ARG 59 -0.538 -10.591 10.019 438 HD2 ARG 59 HD2 ARG 59 -1.328 -12.863 9.454 439 HD3 ARG 59 HD1 ARG 59 -0.922 -12.574 7.765 440 HE ARG 59 HE ARG 59 1.445 -12.057 9.113 441 HH11 ARG 59 HH21 ARG 59 -0.836 -14.638 8.954 442 HH12 ARG 59 HH22 ARG 59 0.340 -15.872 9.263 443 HH21 ARG 59 HH11 ARG 59 2.992 -13.653 9.518 444 HH22 ARG 59 HH12 ARG 59 2.507 -15.314 9.583 445 H HIS 60 HN HIS 60 -3.237 -8.235 7.022 446 HA HIS 60 HA HIS 60 -6.067 -7.696 7.890 447 HB2 HIS 60 HB2 HIS 60 -4.350 -6.160 5.921 448 HB3 HIS 60 HB1 HIS 60 -6.074 -5.890 6.167 449 HD2 HIS 60 HD2 HIS 60 -6.735 -4.479 8.518 450 HE1 HIS 60 HE1 HIS 60 -2.785 -4.019 9.935 451 HE2 HIS 60 HE2 HIS 60 -5.203 -3.334 10.295 452 H TRP 61 HN TRP 61 -7.690 -8.158 6.345 453 HA TRP 61 HA TRP 61 -6.978 -9.380 3.770 454 HB2 TRP 61 HB2 TRP 61 -7.734 -10.980 6.186 455 HB3 TRP 61 HB1 TRP 61 -8.523 -11.444 4.685 456 HD1 TRP 61 HD1 TRP 61 -6.563 -11.563 2.533 457 HE1 TRP 61 HE1 TRP 61 -4.383 -12.938 2.619 458 HE3 TRP 61 HE3 TRP 61 -5.980 -11.993 7.593 459 HZ2 TRP 61 HZ2 TRP 61 -2.619 -14.057 4.567 460 HZ3 TRP 61 HZ3 TRP 61 -4.037 -13.213 8.533 461 HH2 TRP 61 HH2 TRP 61 -2.361 -14.248 7.027 462 H HIS 62 HN HIS 62 -8.834 -9.473 2.387 463 HA HIS 62 HA HIS 62 -11.080 -7.788 3.196 464 HB2 HIS 62 HB2 HIS 62 -10.583 -9.558 0.785 465 HB3 HIS 62 HB1 HIS 62 -12.095 -8.703 1.015 466 HD2 HIS 62 HD2 HIS 62 -11.516 -5.741 1.431 467 HE1 HIS 62 HE1 HIS 62 -8.282 -5.949 -1.273 468 HE2 HIS 62 HE2 HIS 62 -9.869 -4.379 -0.067 469 H GLU 63 HN GLU 63 -12.862 -8.594 4.329 470 HA GLU 63 HA GLU 63 -13.022 -11.069 5.538 471 HB2 GLU 63 HB2 GLU 63 -14.632 -9.002 5.652 472 HB3 GLU 63 HB1 GLU 63 -15.554 -9.863 4.421 473 HG2 GLU 63 HG2 GLU 63 -15.627 -11.853 5.925 474 HG3 GLU 63 HG1 GLU 63 -14.801 -10.912 7.168 475 H ALA 64 HN ALA 64 -13.564 -10.405 2.163 476 HA ALA 64 HA ALA 64 -14.824 -13.040 1.677 477 HB1 ALA 64 HB1 ALA 64 -15.599 -11.021 0.452 478 HB2 ALA 64 HB2 ALA 64 -15.020 -12.284 -0.634 479 HB3 ALA 64 HB3 ALA 64 -14.005 -10.884 -0.288 480 H CYS 65 HN CYS 65 -11.645 -11.588 1.510 481 HA CYS 65 HA CYS 65 -10.578 -13.564 -0.371 482 HB2 CYS 65 HB2 CYS 65 -9.344 -11.423 1.348 483 HB3 CYS 65 HB1 CYS 65 -8.347 -12.580 0.472 484 H PHE 66 HN PHE 66 -10.788 -13.253 3.119 485 HA PHE 66 HA PHE 66 -8.868 -15.341 3.690 486 HB2 PHE 66 HB2 PHE 66 -9.938 -13.430 5.184 487 HB3 PHE 66 HB1 PHE 66 -11.136 -14.663 5.548 488 HD1 PHE 66 HD2 PHE 66 -9.905 -17.111 5.919 489 HD2 PHE 66 HD1 PHE 66 -8.232 -13.256 6.755 490 HE1 PHE 66 HE2 PHE 66 -8.354 -18.147 7.537 491 HE2 PHE 66 HE1 PHE 66 -6.667 -14.289 8.382 492 HZ PHE 66 HZ PHE 66 -6.728 -16.739 8.769 493 H HIS 67 HN HIS 67 -9.317 -17.312 2.713 494 HA HIS 67 HA HIS 67 -11.751 -18.703 3.604 495 HB2 HIS 67 HB2 HIS 67 -12.224 -19.391 1.177 496 HB3 HIS 67 HB1 HIS 67 -12.641 -17.737 1.618 497 HD2 HIS 67 HD2 HIS 67 -12.075 -17.584 -1.398 498 HE1 HIS 67 HE1 HIS 67 -7.968 -16.997 -0.618 499 HE2 HIS 67 HE2 HIS 67 -9.784 -16.811 -2.383 500 H CYS 68 HN CYS 68 -11.741 -21.041 2.618 501 HA CYS 68 HA CYS 68 -9.085 -22.172 3.169 502 HB2 CYS 68 HB2 CYS 68 -10.911 -23.424 4.083 503 HB3 CYS 68 HB1 CYS 68 -11.796 -23.378 2.571 504 H SER 69 HN SER 69 -7.791 -23.246 1.625 505 HA SER 69 HA SER 69 -8.067 -22.334 -1.102 506 HB2 SER 69 HB2 SER 69 -5.912 -22.942 0.194 507 HB3 SER 69 HB1 SER 69 -6.289 -24.609 -0.221 508 HG SER 69 HG SER 69 -5.009 -22.965 -1.704 509 H GLN 70 HN GLN 70 -9.128 -25.203 0.593 510 HA GLN 70 HA GLN 70 -9.676 -26.620 -1.972 511 HB2 GLN 70 HB2 GLN 70 -10.145 -27.624 0.843 512 HB3 GLN 70 HB1 GLN 70 -10.055 -28.578 -0.636 513 HG2 GLN 70 HG2 GLN 70 -7.732 -26.896 0.297 514 HG3 GLN 70 HG1 GLN 70 -7.955 -28.542 0.865 515 HE21 GLN 70 HE21 GLN 70 -6.332 -26.802 -1.419 516 HE22 GLN 70 HE22 GLN 70 -6.192 -27.976 -2.630 517 H CYS 71 HN CYS 71 -11.430 -25.665 0.989 518 HA CYS 71 HA CYS 71 -14.009 -26.256 -0.349 519 HB2 CYS 71 HB2 CYS 71 -13.745 -25.012 2.386 520 HB3 CYS 71 HB1 CYS 71 -15.004 -26.082 1.767 521 H ARG 72 HN ARG 72 -11.953 -23.626 -0.255 522 HA ARG 72 HA ARG 72 -12.267 -21.328 -0.573 523 HB2 ARG 72 HB2 ARG 72 -14.705 -22.313 -2.077 524 HB3 ARG 72 HB1 ARG 72 -13.858 -20.789 -2.317 525 HG2 ARG 72 HG2 ARG 72 -11.910 -21.886 -3.164 526 HG3 ARG 72 HG1 ARG 72 -12.496 -23.466 -2.648 527 HD2 ARG 72 HD2 ARG 72 -12.747 -22.800 -5.159 528 HD3 ARG 72 HD1 ARG 72 -14.112 -23.567 -4.346 529 HE ARG 72 HE ARG 72 -14.565 -20.867 -3.960 530 HH11 ARG 72 HH21 ARG 72 -13.894 -22.919 -6.648 531 HH12 ARG 72 HH22 ARG 72 -14.801 -21.964 -7.772 532 HH21 ARG 72 HH11 ARG 72 -15.753 -19.609 -5.412 533 HH22 ARG 72 HH12 ARG 72 -15.854 -20.090 -7.072 534 H ASN 73 HN ASN 73 -13.835 -22.811 1.651 535 HA ASN 73 HA ASN 73 -16.241 -21.258 2.062 536 HB2 ASN 73 HB2 ASN 73 -14.476 -22.992 3.781 537 HB3 ASN 73 HB1 ASN 73 -15.694 -21.978 4.558 538 HD21 ASN 73 HD21 ASN 73 -17.726 -22.897 4.736 539 HD22 ASN 73 HD22 ASN 73 -18.313 -24.163 3.773 540 H SER 74 HN SER 74 -16.432 -19.439 3.553 541 HA SER 74 HA SER 74 -13.995 -17.758 3.528 542 HB2 SER 74 HB2 SER 74 -16.845 -17.205 4.404 543 HB3 SER 74 HB1 SER 74 -15.547 -16.015 4.460 544 HG SER 74 HG SER 74 -17.042 -16.846 2.368 545 H LEU 75 HN LEU 75 -12.608 -18.561 5.157 546 HA LEU 75 HA LEU 75 -13.693 -19.221 7.802 547 HB2 LEU 75 HB2 LEU 75 -10.773 -18.803 7.212 548 HB3 LEU 75 HB1 LEU 75 -11.510 -19.866 8.396 549 HG LEU 75 HG LEU 75 -11.994 -20.310 5.440 550 HD11 LEU 75 HD11 LEU 75 -9.506 -20.171 5.918 551 HD12 LEU 75 HD12 LEU 75 -10.075 -21.699 5.273 552 HD13 LEU 75 HD13 LEU 75 -9.728 -21.552 6.989 553 HD21 LEU 75 HD21 LEU 75 -11.865 -22.146 7.841 554 HD22 LEU 75 HD22 LEU 75 -12.319 -22.612 6.202 555 HD23 LEU 75 HD23 LEU 75 -13.348 -21.516 7.125 556 H VAL 76 HN VAL 76 -14.256 -17.572 9.123 557 HA VAL 76 HA VAL 76 -12.373 -15.297 9.441 558 HB VAL 76 HB VAL 76 -15.350 -15.075 8.879 559 HG11 VAL 76 HG11 VAL 76 -13.402 -13.103 10.080 560 HG12 VAL 76 HG12 VAL 76 -14.984 -13.581 10.692 561 HG13 VAL 76 HG13 VAL 76 -14.865 -12.579 9.247 562 HG21 VAL 76 HG21 VAL 76 -12.831 -14.025 7.553 563 HG22 VAL 76 HG22 VAL 76 -14.440 -13.423 7.168 564 HG23 VAL 76 HG23 VAL 76 -14.036 -15.110 6.863 565 H ASP 77 HN ASP 77 -12.025 -14.992 11.614 566 HA ASP 77 HA ASP 77 -12.227 -15.414 13.920 567 HB2 ASP 77 HB2 ASP 77 -14.081 -13.838 13.751 568 HB3 ASP 77 HB1 ASP 77 -15.156 -15.110 13.174 569 H LYS 78 HN LYS 78 -12.678 -17.600 11.705 570 HA LYS 78 HA LYS 78 -13.789 -19.721 13.503 571 HB2 LYS 78 HB2 LYS 78 -13.831 -19.257 10.536 572 HB3 LYS 78 HB1 LYS 78 -13.786 -20.927 11.089 573 HG2 LYS 78 HG2 LYS 78 -15.834 -20.688 12.294 574 HG3 LYS 78 HG1 LYS 78 -15.789 -18.931 12.161 575 HD2 LYS 78 HD2 LYS 78 -17.406 -19.941 10.566 576 HD3 LYS 78 HD1 LYS 78 -16.112 -19.074 9.738 577 HE2 LYS 78 HE2 LYS 78 -16.730 -21.427 8.854 578 HE3 LYS 78 HE1 LYS 78 -15.020 -21.071 9.101 579 HZ1 LYS 78 HZ1 LYS 78 -15.969 -23.245 10.036 580 HZ2 LYS 78 HZ2 LYS 78 -16.635 -22.270 11.258 581 HZ3 LYS 78 HZ3 LYS 78 -14.952 -22.320 11.030 582 HA PRO 79 HA PRO 79 -9.717 -21.421 13.731 583 HB2 PRO 79 HB2 PRO 79 -10.349 -24.174 13.281 584 HB3 PRO 79 HB1 PRO 79 -10.199 -23.361 14.844 585 HG2 PRO 79 HG2 PRO 79 -12.643 -24.219 13.451 586 HG3 PRO 79 HG1 PRO 79 -12.453 -23.696 15.131 587 HD2 PRO 79 HD2 PRO 79 -13.663 -22.195 13.042 588 HD3 PRO 79 HD1 PRO 79 -13.186 -21.585 14.640 589 H PHE 80 HN PHE 80 -8.067 -21.666 12.233 590 HA PHE 80 HA PHE 80 -8.567 -23.034 9.665 591 HB2 PHE 80 HB2 PHE 80 -7.716 -21.135 8.314 592 HB3 PHE 80 HB1 PHE 80 -9.240 -20.736 9.119 593 HD1 PHE 80 HD1 PHE 80 -5.517 -20.373 9.377 594 HD2 PHE 80 HD2 PHE 80 -9.351 -18.904 10.624 595 HE1 PHE 80 HE1 PHE 80 -4.426 -18.446 10.489 596 HE2 PHE 80 HE2 PHE 80 -8.258 -16.979 11.735 597 HZ PHE 80 HZ PHE 80 -5.789 -16.748 11.663 598 H ALA 81 HN ALA 81 -6.626 -23.701 8.661 599 HA ALA 81 HA ALA 81 -4.241 -23.586 10.438 600 HB1 ALA 81 HB1 ALA 81 -5.189 -25.760 9.350 601 HB2 ALA 81 HB2 ALA 81 -3.448 -25.489 9.294 602 HB3 ALA 81 HB3 ALA 81 -4.436 -25.164 7.870 603 H ALA 82 HN ALA 82 -2.886 -21.925 10.021 604 HA ALA 82 HA ALA 82 -2.950 -20.525 7.459 605 HB1 ALA 82 HB1 ALA 82 -2.558 -19.088 9.278 606 HB2 ALA 82 HB2 ALA 82 -0.949 -19.281 8.589 607 HB3 ALA 82 HB3 ALA 82 -1.410 -20.192 10.029 608 H LYS 83 HN LYS 83 -2.040 -21.576 5.775 609 HA LYS 83 HA LYS 83 0.453 -23.132 6.143 610 HB2 LYS 83 HB2 LYS 83 -1.232 -24.192 4.776 611 HB3 LYS 83 HB1 LYS 83 -1.407 -22.754 3.782 612 HG2 LYS 83 HG2 LYS 83 0.642 -23.071 2.701 613 HG3 LYS 83 HG1 LYS 83 1.289 -24.072 4.003 614 HD2 LYS 83 HD2 LYS 83 -0.219 -25.895 3.402 615 HD3 LYS 83 HD1 LYS 83 -0.978 -24.893 2.164 616 HE2 LYS 83 HE2 LYS 83 1.190 -24.727 0.979 617 HE3 LYS 83 HE1 LYS 83 1.930 -25.757 2.204 618 HZ1 LYS 83 HZ1 LYS 83 -0.490 -26.747 0.910 619 HZ2 LYS 83 HZ2 LYS 83 0.886 -27.593 1.435 620 HZ3 LYS 83 HZ3 LYS 83 0.925 -26.723 -0.024 621 H GLU 84 HN GLU 84 2.263 -22.674 4.620 622 HA GLU 84 HA GLU 84 3.439 -20.250 4.864 623 HB2 GLU 84 HB2 GLU 84 3.491 -22.106 2.484 624 HB3 GLU 84 HB1 GLU 84 4.532 -20.688 2.585 625 HG2 GLU 84 HG2 GLU 84 5.451 -21.515 4.726 626 HG3 GLU 84 HG1 GLU 84 4.418 -22.941 4.612 627 H ASP 85 HN ASP 85 1.476 -20.959 1.914 628 HA ASP 85 HA ASP 85 0.983 -17.998 1.701 629 HB2 ASP 85 HB2 ASP 85 1.737 -20.072 -0.342 630 HB3 ASP 85 HB1 ASP 85 0.760 -18.698 -0.844 631 H GLN 86 HN GLN 86 -0.525 -20.869 2.405 632 HA GLN 86 HA GLN 86 -3.117 -19.920 1.201 633 HB2 GLN 86 HB2 GLN 86 -2.432 -22.816 1.701 634 HB3 GLN 86 HB1 GLN 86 -3.743 -22.154 0.730 635 HG2 GLN 86 HG2 GLN 86 -0.800 -21.811 0.086 636 HG3 GLN 86 HG1 GLN 86 -1.852 -23.019 -0.631 637 HE21 GLN 86 HE21 GLN 86 -0.485 -20.555 -1.851 638 HE22 GLN 86 HE22 GLN 86 -1.749 -19.713 -2.610 639 H LEU 87 HN LEU 87 -5.019 -20.924 2.297 640 HA LEU 87 HA LEU 87 -4.631 -21.302 5.230 641 HB2 LEU 87 HB2 LEU 87 -6.595 -19.512 3.771 642 HB3 LEU 87 HB1 LEU 87 -6.985 -20.160 5.363 643 HG LEU 87 HG LEU 87 -4.316 -18.829 4.956 644 HD11 LEU 87 HD11 LEU 87 -6.990 -17.455 5.167 645 HD12 LEU 87 HD12 LEU 87 -5.640 -17.085 4.097 646 HD13 LEU 87 HD13 LEU 87 -5.535 -16.696 5.814 647 HD21 LEU 87 HD21 LEU 87 -5.225 -20.099 7.080 648 HD22 LEU 87 HD22 LEU 87 -6.092 -18.597 7.365 649 HD23 LEU 87 HD23 LEU 87 -4.334 -18.593 7.267 650 H LEU 88 HN LEU 88 -5.746 -23.074 5.986 651 HA LEU 88 HA LEU 88 -7.720 -24.389 4.143 652 HB2 LEU 88 HB2 LEU 88 -5.344 -25.594 5.581 653 HB3 LEU 88 HB1 LEU 88 -6.646 -26.569 4.909 654 HG LEU 88 HG LEU 88 -5.326 -24.531 3.127 655 HD11 LEU 88 HD11 LEU 88 -3.689 -26.327 2.439 656 HD12 LEU 88 HD12 LEU 88 -4.134 -27.195 3.908 657 HD13 LEU 88 HD13 LEU 88 -3.379 -25.605 4.018 658 HD21 LEU 88 HD21 LEU 88 -7.258 -25.769 2.293 659 HD22 LEU 88 HD22 LEU 88 -6.475 -27.300 2.692 660 HD23 LEU 88 HD23 LEU 88 -5.805 -26.269 1.427 661 H CYS 89 HN CYS 89 -9.021 -26.074 5.351 662 HA CYS 89 HA CYS 89 -9.869 -24.959 7.943 663 HB2 CYS 89 HB2 CYS 89 -10.933 -27.462 6.608 664 HB3 CYS 89 HB1 CYS 89 -11.745 -26.430 7.780 665 H THR 90 HN THR 90 -9.456 -25.971 9.924 666 HA THR 90 HA THR 90 -7.225 -27.615 10.266 667 HB THR 90 HB THR 90 -8.081 -26.743 12.270 668 HG1 THR 90 HG1 THR 90 -7.827 -29.249 12.099 669 HG21 THR 90 HG21 THR 90 -10.278 -26.113 11.550 670 HG22 THR 90 HG22 THR 90 -10.490 -27.162 12.952 671 HG23 THR 90 HG23 THR 90 -10.754 -27.797 11.328 672 H ASP 91 HN ASP 91 -10.224 -28.438 8.894 673 HA ASP 91 HA ASP 91 -9.992 -31.332 9.407 674 HB2 ASP 91 HB2 ASP 91 -11.820 -29.818 7.527 675 HB3 ASP 91 HB1 ASP 91 -11.977 -31.514 7.976 676 H CYS 92 HN CYS 92 -9.709 -29.102 6.634 677 HA CYS 92 HA CYS 92 -8.735 -31.165 4.838 678 HB2 CYS 92 HB2 CYS 92 -8.221 -28.211 4.472 679 HB3 CYS 92 HB1 CYS 92 -8.504 -29.439 3.240 680 H TYR 93 HN TYR 93 -7.251 -28.650 6.850 681 HA TYR 93 HA TYR 93 -4.562 -28.996 5.995 682 HB2 TYR 93 HB2 TYR 93 -5.502 -27.191 7.520 683 HB3 TYR 93 HB1 TYR 93 -5.446 -28.375 8.818 684 HD1 TYR 93 HD2 TYR 93 -3.285 -26.814 6.174 685 HD2 TYR 93 HD1 TYR 93 -3.466 -28.717 10.021 686 HE1 TYR 93 HE2 TYR 93 -0.867 -26.375 6.508 687 HE2 TYR 93 HE1 TYR 93 -1.052 -28.288 10.351 688 HH TYR 93 HH TYR 93 1.029 -27.573 7.987 689 H SER 94 HN SER 94 -6.348 -30.518 8.657 690 HA SER 94 HA SER 94 -4.212 -32.192 9.551 691 HB2 SER 94 HB2 SER 94 -6.196 -31.837 10.932 692 HB3 SER 94 HB1 SER 94 -7.216 -32.596 9.713 693 HG SER 94 HG SER 94 -5.812 -34.485 10.024 694 H ASN 95 HN ASN 95 -6.164 -32.308 6.737 695 HA ASN 95 HA ASN 95 -5.960 -35.189 6.311 696 HB2 ASN 95 HB2 ASN 95 -7.752 -33.610 5.353 697 HB3 ASN 95 HB1 ASN 95 -6.524 -33.109 4.190 698 HD21 ASN 95 HD21 ASN 95 -7.215 -34.145 2.278 699 HD22 ASN 95 HD22 ASN 95 -7.478 -35.817 2.147 700 H GLU 96 HN GLU 96 -4.160 -32.310 5.323 701 HA GLU 96 HA GLU 96 -2.295 -34.011 3.717 702 HB2 GLU 96 HB2 GLU 96 -1.336 -31.639 3.176 703 HB3 GLU 96 HB1 GLU 96 -2.872 -32.116 2.453 704 HG2 GLU 96 HG2 GLU 96 -4.132 -30.840 4.011 705 HG3 GLU 96 HG1 GLU 96 -2.748 -30.641 5.085 706 H TYR 97 HN TYR 97 -2.373 -31.770 6.473 707 HA TYR 97 HA TYR 97 0.373 -31.620 7.047 708 HB2 TYR 97 HB2 TYR 97 -1.201 -30.306 8.320 709 HB3 TYR 97 HB1 TYR 97 -2.012 -31.753 8.911 710 HD1 TYR 97 HD2 TYR 97 1.223 -29.896 8.994 711 HD2 TYR 97 HD1 TYR 97 -1.241 -32.886 10.851 712 HE1 TYR 97 HE2 TYR 97 2.781 -29.984 10.921 713 HE2 TYR 97 HE1 TYR 97 0.318 -32.973 12.778 714 HH TYR 97 HH TYR 97 3.053 -30.736 13.031 715 H SER 98 HN SER 98 -1.924 -34.225 7.703 716 HA SER 98 HA SER 98 -0.080 -35.774 9.321 717 HB2 SER 98 HB2 SER 98 -2.518 -36.103 9.477 718 HB3 SER 98 HB1 SER 98 -2.560 -36.635 7.799 719 HG SER 98 HG SER 98 -1.815 -38.514 8.395 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -13.904 31.005 -0.003 2 H2 MET 1 HT2 MET 1 -15.035 29.801 0.394 3 H3 MET 1 HT3 MET 1 -15.524 31.176 -0.476 4 HA MET 1 HA MET 1 -14.300 28.742 -1.410 5 HB2 MET 1 HB2 MET 1 -15.716 31.009 -2.845 6 HB3 MET 1 HB1 MET 1 -15.455 29.376 -3.458 7 HG2 MET 1 HG2 MET 1 -17.018 29.988 -0.936 8 HG3 MET 1 HG1 MET 1 -17.764 29.769 -2.517 9 HE1 MET 1 HE1 MET 1 -18.109 26.175 -3.032 10 HE2 MET 1 HE2 MET 1 -17.696 27.643 -3.915 11 HE3 MET 1 HE3 MET 1 -19.011 27.669 -2.743 12 H THR 2 HN THR 2 -12.716 31.328 -0.543 13 HA THR 2 HA THR 2 -11.369 32.071 -3.031 14 HB THR 2 HB THR 2 -11.664 33.659 -1.114 15 HG1 THR 2 HG1 THR 2 -9.157 32.979 -2.167 16 HG21 THR 2 HG21 THR 2 -9.470 32.084 0.232 17 HG22 THR 2 HG22 THR 2 -11.174 31.807 0.595 18 HG23 THR 2 HG23 THR 2 -10.450 33.385 0.906 19 H GLU 3 HN GLU 3 -10.597 30.135 -0.153 20 HA GLU 3 HA GLU 3 -7.924 29.475 -0.850 21 HB2 GLU 3 HB2 GLU 3 -8.139 27.652 0.715 22 HB3 GLU 3 HB1 GLU 3 -9.055 29.009 1.359 23 HG2 GLU 3 HG2 GLU 3 -11.093 27.957 0.157 24 HG3 GLU 3 HG1 GLU 3 -10.099 26.505 0.030 25 H ARG 4 HN ARG 4 -7.362 27.067 -1.346 26 HA ARG 4 HA ARG 4 -8.692 26.424 -3.915 27 HB2 ARG 4 HB2 ARG 4 -6.124 25.435 -2.659 28 HB3 ARG 4 HB1 ARG 4 -6.684 25.037 -4.281 29 HG2 ARG 4 HG2 ARG 4 -6.265 27.871 -3.300 30 HG3 ARG 4 HG1 ARG 4 -5.029 26.971 -4.172 31 HD2 ARG 4 HD2 ARG 4 -7.158 26.633 -5.863 32 HD3 ARG 4 HD1 ARG 4 -7.537 28.216 -5.192 33 HE ARG 4 HE ARG 4 -5.621 27.738 -7.199 34 HH11 ARG 4 HH21 ARG 4 -5.771 29.264 -4.100 35 HH12 ARG 4 HH22 ARG 4 -4.365 30.231 -4.372 36 HH21 ARG 4 HH11 ARG 4 -3.809 29.011 -7.562 37 HH22 ARG 4 HH12 ARG 4 -3.261 30.095 -6.327 38 H PHE 5 HN PHE 5 -9.702 24.460 -4.261 39 HA PHE 5 HA PHE 5 -9.976 22.640 -1.892 40 HB2 PHE 5 HB2 PHE 5 -11.979 24.072 -2.856 41 HB3 PHE 5 HB1 PHE 5 -12.028 22.823 -4.091 42 HD1 PHE 5 HD1 PHE 5 -11.938 23.314 -0.392 43 HD2 PHE 5 HD2 PHE 5 -13.148 20.799 -3.647 44 HE1 PHE 5 HE1 PHE 5 -13.146 21.853 1.194 45 HE2 PHE 5 HE2 PHE 5 -14.363 19.327 -2.057 46 HZ PHE 5 HZ PHE 5 -14.360 19.849 0.359 47 H ASP 6 HN ASP 6 -7.893 21.849 -3.092 48 HA ASP 6 HA ASP 6 -8.732 19.638 -4.921 49 HB2 ASP 6 HB2 ASP 6 -6.126 21.109 -5.302 50 HB3 ASP 6 HB1 ASP 6 -6.939 20.008 -6.415 51 H CYS 7 HN CYS 7 -7.493 17.738 -4.720 52 HA CYS 7 HA CYS 7 -6.520 17.183 -2.116 53 HB2 CYS 7 HB2 CYS 7 -7.247 15.358 -3.421 54 HB3 CYS 7 HB1 CYS 7 -6.194 15.775 -4.756 55 H HIS 8 HN HIS 8 -4.829 18.400 -1.370 56 HA HIS 8 HA HIS 8 -2.764 19.614 -2.769 57 HB2 HIS 8 HB2 HIS 8 -3.282 19.795 -0.317 58 HB3 HIS 8 HB1 HIS 8 -2.423 18.296 -0.073 59 HD2 HIS 8 HD2 HIS 8 -1.385 21.632 -2.016 60 HE1 HIS 8 HE1 HIS 8 1.857 20.305 0.340 61 HE2 HIS 8 HE2 HIS 8 1.082 22.088 -1.294 62 H HIS 9 HN HIS 9 -3.142 16.196 -2.186 63 HA HIS 9 HA HIS 9 -0.289 15.673 -2.753 64 HB2 HIS 9 HB2 HIS 9 -1.328 14.262 -1.096 65 HB3 HIS 9 HB1 HIS 9 -2.614 13.814 -2.201 66 HD2 HIS 9 HD2 HIS 9 -1.107 11.196 -1.366 67 HE1 HIS 9 HE1 HIS 9 1.459 11.686 -4.683 68 HE2 HIS 9 HE2 HIS 9 0.634 10.044 -2.932 69 H CYS 10 HN CYS 10 -3.335 14.444 -4.282 70 HA CYS 10 HA CYS 10 -1.869 13.880 -6.754 71 HB2 CYS 10 HB2 CYS 10 -4.873 13.959 -6.397 72 HB3 CYS 10 HB1 CYS 10 -3.963 13.084 -7.624 73 H ASN 11 HN ASN 11 -3.805 16.439 -5.455 74 HA ASN 11 HA ASN 11 -4.068 18.643 -6.177 75 HB2 ASN 11 HB2 ASN 11 -2.490 19.495 -7.600 76 HB3 ASN 11 HB1 ASN 11 -1.787 17.887 -7.545 77 HD21 ASN 11 HD21 ASN 11 -1.916 19.970 -9.786 78 HD22 ASN 11 HD22 ASN 11 -2.561 19.130 -11.112 79 H GLU 12 HN GLU 12 -5.705 16.166 -6.940 80 HA GLU 12 HA GLU 12 -7.139 17.221 -9.331 81 HB2 GLU 12 HB2 GLU 12 -8.278 15.086 -9.375 82 HB3 GLU 12 HB1 GLU 12 -6.559 14.766 -9.148 83 HG2 GLU 12 HG2 GLU 12 -7.036 14.722 -6.643 84 HG3 GLU 12 HG1 GLU 12 -8.743 14.696 -7.055 85 H SER 13 HN SER 13 -9.153 18.172 -9.125 86 HA SER 13 HA SER 13 -10.052 19.305 -6.742 87 HB2 SER 13 HB2 SER 13 -11.158 20.107 -8.636 88 HB3 SER 13 HB1 SER 13 -11.461 18.488 -9.261 89 HG SER 13 HG SER 13 -12.587 18.858 -6.824 90 H LEU 14 HN LEU 14 -11.179 18.534 -4.944 91 HA LEU 14 HA LEU 14 -11.327 15.733 -4.443 92 HB2 LEU 14 HB2 LEU 14 -12.871 18.028 -3.224 93 HB3 LEU 14 HB1 LEU 14 -13.000 16.385 -2.648 94 HG LEU 14 HG LEU 14 -11.422 17.669 -1.310 95 HD11 LEU 14 HD11 LEU 14 -11.091 15.152 -2.084 96 HD12 LEU 14 HD12 LEU 14 -9.870 15.984 -1.125 97 HD13 LEU 14 HD13 LEU 14 -9.659 15.827 -2.866 98 HD21 LEU 14 HD21 LEU 14 -9.636 17.857 -3.711 99 HD22 LEU 14 HD22 LEU 14 -9.518 18.715 -2.178 100 HD23 LEU 14 HD23 LEU 14 -10.788 19.137 -3.324 101 H PHE 15 HN PHE 15 -12.802 14.259 -5.051 102 HA PHE 15 HA PHE 15 -14.719 15.023 -7.083 103 HB2 PHE 15 HB2 PHE 15 -15.088 12.579 -7.244 104 HB3 PHE 15 HB1 PHE 15 -13.387 13.018 -7.327 105 HD1 PHE 15 HD2 PHE 15 -11.964 12.857 -5.152 106 HD2 PHE 15 HD1 PHE 15 -15.883 11.128 -5.570 107 HE1 PHE 15 HE2 PHE 15 -11.539 11.412 -3.193 108 HE2 PHE 15 HE1 PHE 15 -15.441 9.666 -3.617 109 HZ PHE 15 HZ PHE 15 -13.273 9.810 -2.429 110 H GLY 16 HN GLY 16 -16.509 16.078 -6.227 111 HA2 GLY 16 HA2 GLY 16 -18.573 16.282 -5.115 112 HA3 GLY 16 HA1 GLY 16 -18.739 14.627 -5.671 113 H LYS 17 HN LYS 17 -16.217 14.854 -3.322 114 HA LYS 17 HA LYS 17 -18.208 14.088 -1.185 115 HB2 LYS 17 HB2 LYS 17 -17.298 12.069 -2.225 116 HB3 LYS 17 HB1 LYS 17 -15.658 12.631 -1.900 117 HG2 LYS 17 HG2 LYS 17 -15.878 12.370 0.424 118 HG3 LYS 17 HG1 LYS 17 -17.641 12.387 0.361 119 HD2 LYS 17 HD2 LYS 17 -17.625 10.198 -0.776 120 HD3 LYS 17 HD1 LYS 17 -15.862 10.181 -0.727 121 HE2 LYS 17 HE2 LYS 17 -15.847 10.095 1.674 122 HE3 LYS 17 HE1 LYS 17 -17.581 10.408 1.754 123 HZ1 LYS 17 HZ1 LYS 17 -16.582 7.979 1.883 124 HZ2 LYS 17 HZ2 LYS 17 -16.712 8.101 0.194 125 HZ3 LYS 17 HZ3 LYS 17 -18.088 8.297 1.171 126 H LYS 18 HN LYS 18 -17.465 14.123 0.962 127 HA LYS 18 HA LYS 18 -16.132 16.449 1.776 128 HB2 LYS 18 HB2 LYS 18 -16.783 13.834 3.097 129 HB3 LYS 18 HB1 LYS 18 -15.673 14.915 3.935 130 HG2 LYS 18 HG2 LYS 18 -18.286 15.978 2.861 131 HG3 LYS 18 HG1 LYS 18 -18.244 15.114 4.395 132 HD2 LYS 18 HD2 LYS 18 -16.502 16.693 5.215 133 HD3 LYS 18 HD1 LYS 18 -16.643 17.597 3.708 134 HE2 LYS 18 HE2 LYS 18 -18.929 17.088 5.630 135 HE3 LYS 18 HE1 LYS 18 -18.011 18.590 5.534 136 HZ1 LYS 18 HZ1 LYS 18 -19.327 17.435 3.155 137 HZ2 LYS 18 HZ2 LYS 18 -18.808 19.033 3.410 138 HZ3 LYS 18 HZ3 LYS 18 -20.174 18.439 4.227 139 H TYR 19 HN TYR 19 -13.999 16.375 3.100 140 HA TYR 19 HA TYR 19 -12.009 14.519 1.883 141 HB2 TYR 19 HB2 TYR 19 -10.598 16.359 1.171 142 HB3 TYR 19 HB1 TYR 19 -12.200 16.541 0.460 143 HD1 TYR 19 HD1 TYR 19 -13.922 17.993 1.786 144 HD2 TYR 19 HD2 TYR 19 -9.678 18.139 2.387 145 HE1 TYR 19 HE1 TYR 19 -14.155 20.217 2.850 146 HE2 TYR 19 HE2 TYR 19 -9.909 20.373 3.450 147 HH TYR 19 HH TYR 19 -12.229 21.550 4.760 148 H ILE 20 HN ILE 20 -9.953 14.556 2.984 149 HA ILE 20 HA ILE 20 -10.216 15.335 5.868 150 HB ILE 20 HB ILE 20 -8.448 13.258 4.544 151 HG12 ILE 20 HG12 ILE 20 -10.759 12.621 6.382 152 HG13 ILE 20 HG11 ILE 20 -11.084 12.940 4.682 153 HG21 ILE 20 HG21 ILE 20 -8.225 12.508 6.977 154 HG22 ILE 20 HG22 ILE 20 -8.938 14.060 7.418 155 HG23 ILE 20 HG23 ILE 20 -7.403 14.008 6.551 156 HD11 ILE 20 HD11 ILE 20 -9.573 11.161 3.999 157 HD12 ILE 20 HD12 ILE 20 -10.730 10.513 5.161 158 HD13 ILE 20 HD13 ILE 20 -9.084 10.887 5.671 159 H LEU 21 HN LEU 21 -8.583 16.592 6.803 160 HA LEU 21 HA LEU 21 -6.625 17.805 4.920 161 HB2 LEU 21 HB2 LEU 21 -7.358 18.504 7.782 162 HB3 LEU 21 HB1 LEU 21 -6.097 19.316 6.851 163 HG LEU 21 HG LEU 21 -8.284 20.534 6.855 164 HD11 LEU 21 HD11 LEU 21 -6.520 20.469 4.901 165 HD12 LEU 21 HD12 LEU 21 -8.086 21.231 4.647 166 HD13 LEU 21 HD13 LEU 21 -7.794 19.608 4.045 167 HD21 LEU 21 HD21 LEU 21 -9.335 18.380 5.022 168 HD22 LEU 21 HD22 LEU 21 -10.221 19.657 5.852 169 HD23 LEU 21 HD23 LEU 21 -9.594 18.288 6.766 170 H ARG 22 HN ARG 22 -4.741 16.750 4.762 171 HA ARG 22 HA ARG 22 -3.581 15.427 7.196 172 HB2 ARG 22 HB2 ARG 22 -4.182 14.025 5.099 173 HB3 ARG 22 HB1 ARG 22 -2.814 14.838 4.339 174 HG2 ARG 22 HG2 ARG 22 -1.909 12.842 5.222 175 HG3 ARG 22 HG1 ARG 22 -1.441 14.095 6.364 176 HD2 ARG 22 HD2 ARG 22 -3.940 13.233 7.326 177 HD3 ARG 22 HD1 ARG 22 -3.175 11.762 6.788 178 HE ARG 22 HE ARG 22 -2.578 13.055 9.198 179 HH11 ARG 22 HH21 ARG 22 -0.860 12.047 6.376 180 HH12 ARG 22 HH22 ARG 22 0.659 11.924 7.193 181 HH21 ARG 22 HH11 ARG 22 -0.610 12.889 10.268 182 HH22 ARG 22 HH12 ARG 22 0.801 12.397 9.392 183 H GLU 23 HN GLU 23 -1.473 16.033 7.770 184 HA GLU 23 HA GLU 23 0.324 17.558 7.897 185 HB2 GLU 23 HB2 GLU 23 0.130 17.091 4.902 186 HB3 GLU 23 HB1 GLU 23 1.449 17.980 5.664 187 HG2 GLU 23 HG2 GLU 23 1.942 15.983 7.070 188 HG3 GLU 23 HG1 GLU 23 0.682 15.097 6.209 189 H GLU 24 HN GLU 24 -2.411 18.549 7.759 190 HA GLU 24 HA GLU 24 -3.535 20.586 7.608 191 HB2 GLU 24 HB2 GLU 24 -0.873 21.863 6.943 192 HB3 GLU 24 HB1 GLU 24 -2.267 22.596 7.732 193 HG2 GLU 24 HG2 GLU 24 -0.468 20.443 8.878 194 HG3 GLU 24 HG1 GLU 24 -0.606 22.111 9.430 195 H SER 25 HN SER 25 -3.359 18.899 5.292 196 HA SER 25 HA SER 25 -3.814 20.957 3.234 197 HB2 SER 25 HB2 SER 25 -2.127 18.602 2.447 198 HB3 SER 25 HB1 SER 25 -2.231 20.192 1.699 199 HG SER 25 HG SER 25 -1.103 21.045 3.427 200 HA PRO 26 HA PRO 26 -7.221 18.167 2.399 201 HB2 PRO 26 HB2 PRO 26 -7.603 18.951 -0.316 202 HB3 PRO 26 HB1 PRO 26 -8.432 19.617 1.094 203 HG2 PRO 26 HG2 PRO 26 -6.287 20.822 -0.525 204 HG3 PRO 26 HG1 PRO 26 -7.360 21.594 0.647 205 HD2 PRO 26 HD2 PRO 26 -4.617 21.009 1.047 206 HD3 PRO 26 HD1 PRO 26 -5.782 21.485 2.300 207 H TYR 27 HN TYR 27 -7.040 16.047 1.931 208 HA TYR 27 HA TYR 27 -5.399 15.177 -0.434 209 HB2 TYR 27 HB2 TYR 27 -5.686 14.035 2.357 210 HB3 TYR 27 HB1 TYR 27 -5.362 12.948 1.022 211 HD1 TYR 27 HD2 TYR 27 -3.678 16.076 0.373 212 HD2 TYR 27 HD1 TYR 27 -3.455 12.484 2.704 213 HE1 TYR 27 HE2 TYR 27 -1.270 16.426 0.659 214 HE2 TYR 27 HE1 TYR 27 -1.022 12.847 3.008 215 HH TYR 27 HH TYR 27 0.501 15.268 2.878 216 H CYS 28 HN CYS 28 -6.471 13.656 -1.772 217 HA CYS 28 HA CYS 28 -9.354 13.636 -1.569 218 HB2 CYS 28 HB2 CYS 28 -9.288 12.012 -3.421 219 HB3 CYS 28 HB1 CYS 28 -8.215 13.358 -3.749 220 H VAL 29 HN VAL 29 -10.695 11.864 -0.923 221 HA VAL 29 HA VAL 29 -10.089 10.499 1.398 222 HB VAL 29 HB VAL 29 -11.695 9.216 -0.821 223 HG11 VAL 29 HG11 VAL 29 -11.392 7.929 1.237 224 HG12 VAL 29 HG12 VAL 29 -13.064 8.474 1.094 225 HG13 VAL 29 HG13 VAL 29 -11.957 9.299 2.192 226 HG21 VAL 29 HG21 VAL 29 -12.446 11.478 -0.827 227 HG22 VAL 29 HG22 VAL 29 -12.337 11.598 0.930 228 HG23 VAL 29 HG23 VAL 29 -13.595 10.609 0.189 229 H VAL 30 HN VAL 30 -9.744 9.213 -1.891 230 HA VAL 30 HA VAL 30 -8.664 6.714 -1.412 231 HB VAL 30 HB VAL 30 -7.519 8.568 -3.505 232 HG11 VAL 30 HG11 VAL 30 -6.623 6.239 -3.216 233 HG12 VAL 30 HG12 VAL 30 -7.345 6.532 -4.799 234 HG13 VAL 30 HG13 VAL 30 -8.237 5.628 -3.576 235 HG21 VAL 30 HG21 VAL 30 -9.868 8.943 -3.669 236 HG22 VAL 30 HG22 VAL 30 -10.237 7.247 -3.352 237 HG23 VAL 30 HG23 VAL 30 -9.507 7.719 -4.886 238 H CYS 31 HN CYS 31 -6.720 9.733 -1.749 239 HA CYS 31 HA CYS 31 -4.197 8.682 -1.231 240 HB2 CYS 31 HB2 CYS 31 -5.477 11.317 -0.662 241 HB3 CYS 31 HB1 CYS 31 -3.958 10.978 0.162 242 H PHE 32 HN PHE 32 -6.232 10.145 1.315 243 HA PHE 32 HA PHE 32 -4.824 9.292 3.553 244 HB2 PHE 32 HB2 PHE 32 -6.935 10.698 3.516 245 HB3 PHE 32 HB1 PHE 32 -7.847 9.195 3.367 246 HD1 PHE 32 HD1 PHE 32 -7.552 7.404 5.155 247 HD2 PHE 32 HD2 PHE 32 -6.135 11.432 5.621 248 HE1 PHE 32 HE1 PHE 32 -7.416 7.074 7.612 249 HE2 PHE 32 HE2 PHE 32 -5.997 11.105 8.073 250 HZ PHE 32 HZ PHE 32 -6.638 8.924 9.071 251 H GLU 33 HN GLU 33 -7.299 7.382 1.802 252 HA GLU 33 HA GLU 33 -7.069 5.099 3.519 253 HB2 GLU 33 HB2 GLU 33 -8.050 5.378 0.677 254 HB3 GLU 33 HB1 GLU 33 -8.245 3.929 1.663 255 HG2 GLU 33 HG2 GLU 33 -9.167 6.632 2.638 256 HG3 GLU 33 HG1 GLU 33 -10.195 5.609 1.647 257 H THR 34 HN THR 34 -5.993 5.374 0.108 258 HA THR 34 HA THR 34 -4.456 3.044 0.047 259 HB THR 34 HB THR 34 -5.030 4.798 -1.818 260 HG1 THR 34 HG1 THR 34 -2.595 3.354 -1.738 261 HG21 THR 34 HG21 THR 34 -3.283 6.291 -2.439 262 HG22 THR 34 HG22 THR 34 -2.171 5.595 -1.260 263 HG23 THR 34 HG23 THR 34 -3.547 6.550 -0.717 264 H LEU 35 HN LEU 35 -3.354 6.286 1.049 265 HA LEU 35 HA LEU 35 -0.635 5.686 1.434 266 HB2 LEU 35 HB2 LEU 35 -2.446 7.516 3.014 267 HB3 LEU 35 HB1 LEU 35 -0.699 7.481 3.200 268 HG LEU 35 HG LEU 35 -2.015 7.946 0.514 269 HD11 LEU 35 HD11 LEU 35 -1.615 10.363 0.935 270 HD12 LEU 35 HD12 LEU 35 -1.171 9.973 2.597 271 HD13 LEU 35 HD13 LEU 35 -2.814 9.675 2.030 272 HD21 LEU 35 HD21 LEU 35 0.767 8.316 1.659 273 HD22 LEU 35 HD22 LEU 35 0.250 9.169 0.207 274 HD23 LEU 35 HD23 LEU 35 0.287 7.410 0.225 275 H PHE 36 HN PHE 36 -3.141 5.610 3.995 276 HA PHE 36 HA PHE 36 -1.296 3.966 5.658 277 HB2 PHE 36 HB2 PHE 36 -3.969 4.950 6.610 278 HB3 PHE 36 HB1 PHE 36 -2.463 4.760 7.501 279 HD1 PHE 36 HD2 PHE 36 -0.544 6.160 5.681 280 HD2 PHE 36 HD1 PHE 36 -4.520 7.223 6.917 281 HE1 PHE 36 HE2 PHE 36 -0.024 8.547 5.295 282 HE2 PHE 36 HE1 PHE 36 -3.996 9.610 6.526 283 HZ PHE 36 HZ PHE 36 -1.747 10.274 5.715 284 H ALA 37 HN ALA 37 -3.736 3.306 3.474 285 HA ALA 37 HA ALA 37 -5.364 1.428 4.837 286 HB1 ALA 37 HB1 ALA 37 -5.418 0.303 2.449 287 HB2 ALA 37 HB2 ALA 37 -4.519 1.743 1.973 288 HB3 ALA 37 HB3 ALA 37 -6.125 1.901 2.680 289 H ASN 38 HN ASN 38 -5.237 -0.911 4.860 290 HA ASN 38 HA ASN 38 -2.486 -1.877 5.327 291 HB2 ASN 38 HB2 ASN 38 -5.244 -3.005 5.830 292 HB3 ASN 38 HB1 ASN 38 -3.793 -3.982 6.013 293 HD21 ASN 38 HD21 ASN 38 -5.877 -2.371 7.900 294 HD22 ASN 38 HD22 ASN 38 -4.834 -1.768 9.095 295 H THR 39 HN THR 39 -1.680 -3.806 4.248 296 HA THR 39 HA THR 39 -2.669 -4.016 1.464 297 HB THR 39 HB THR 39 -0.327 -5.534 2.628 298 HG1 THR 39 HG1 THR 39 -0.657 -2.842 2.340 299 HG21 THR 39 HG21 THR 39 0.430 -5.592 0.380 300 HG22 THR 39 HG22 THR 39 -0.674 -4.307 -0.112 301 HG23 THR 39 HG23 THR 39 -1.301 -5.909 0.274 302 H CYS 40 HN CYS 40 -3.789 -5.753 0.702 303 HA CYS 40 HA CYS 40 -4.553 -7.880 2.611 304 HB2 CYS 40 HB2 CYS 40 -6.376 -7.115 1.307 305 HB3 CYS 40 HB1 CYS 40 -5.431 -7.107 -0.177 306 H GLU 41 HN GLU 41 -2.921 -9.275 2.865 307 HA GLU 41 HA GLU 41 -0.845 -9.996 1.213 308 HB2 GLU 41 HB2 GLU 41 -2.439 -11.907 2.940 309 HB3 GLU 41 HB1 GLU 41 -0.765 -12.112 2.425 310 HG2 GLU 41 HG2 GLU 41 -0.103 -10.098 3.647 311 HG3 GLU 41 HG1 GLU 41 -1.776 -9.785 4.095 312 H GLU 42 HN GLU 42 -4.186 -10.688 0.655 313 HA GLU 42 HA GLU 42 -3.592 -12.881 -1.242 314 HB2 GLU 42 HB2 GLU 42 -5.709 -12.628 0.312 315 HB3 GLU 42 HB1 GLU 42 -6.303 -11.583 -0.974 316 HG2 GLU 42 HG2 GLU 42 -5.335 -14.427 -1.376 317 HG3 GLU 42 HG1 GLU 42 -7.027 -13.945 -1.260 318 H CYS 43 HN CYS 43 -5.302 -9.728 -1.496 319 HA CYS 43 HA CYS 43 -4.996 -9.691 -4.394 320 HB2 CYS 43 HB2 CYS 43 -5.764 -7.439 -2.512 321 HB3 CYS 43 HB1 CYS 43 -6.004 -7.462 -4.259 322 H GLY 44 HN GLY 44 -3.486 -7.996 -1.662 323 HA2 GLY 44 HA2 GLY 44 -1.192 -7.266 -1.618 324 HA3 GLY 44 HA1 GLY 44 -1.135 -7.400 -3.379 325 H LYS 45 HN LYS 45 -4.001 -6.035 -2.965 326 HA LYS 45 HA LYS 45 -2.971 -3.317 -3.454 327 HB2 LYS 45 HB2 LYS 45 -5.848 -4.280 -3.444 328 HB3 LYS 45 HB1 LYS 45 -5.239 -2.795 -4.163 329 HG2 LYS 45 HG2 LYS 45 -4.156 -5.458 -5.082 330 HG3 LYS 45 HG1 LYS 45 -5.696 -4.879 -5.700 331 HD2 LYS 45 HD2 LYS 45 -3.325 -3.025 -5.741 332 HD3 LYS 45 HD1 LYS 45 -3.448 -4.286 -6.964 333 HE2 LYS 45 HE2 LYS 45 -5.772 -2.444 -6.396 334 HE3 LYS 45 HE1 LYS 45 -4.489 -1.980 -7.513 335 HZ1 LYS 45 HZ1 LYS 45 -5.721 -4.625 -7.803 336 HZ2 LYS 45 HZ2 LYS 45 -5.049 -3.608 -8.987 337 HZ3 LYS 45 HZ3 LYS 45 -6.584 -3.268 -8.344 338 HA PRO 46 HA PRO 46 -3.750 -1.958 0.707 339 HB2 PRO 46 HB2 PRO 46 -4.986 0.561 -0.050 340 HB3 PRO 46 HB1 PRO 46 -3.350 0.293 0.565 341 HG2 PRO 46 HG2 PRO 46 -4.143 0.939 -2.141 342 HG3 PRO 46 HG1 PRO 46 -2.504 0.688 -1.522 343 HD2 PRO 46 HD2 PRO 46 -4.010 -1.068 -3.229 344 HD3 PRO 46 HD1 PRO 46 -2.395 -1.346 -2.550 345 H ILE 47 HN ILE 47 -5.531 -2.115 2.144 346 HA ILE 47 HA ILE 47 -8.166 -2.670 0.877 347 HB ILE 47 HB ILE 47 -7.344 -3.056 3.774 348 HG12 ILE 47 HG12 ILE 47 -7.337 -5.040 1.476 349 HG13 ILE 47 HG11 ILE 47 -5.897 -4.344 2.206 350 HG21 ILE 47 HG21 ILE 47 -9.269 -4.744 3.610 351 HG22 ILE 47 HG22 ILE 47 -9.666 -3.998 2.067 352 HG23 ILE 47 HG23 ILE 47 -9.732 -3.047 3.546 353 HD11 ILE 47 HD11 ILE 47 -5.942 -6.193 3.530 354 HD12 ILE 47 HD12 ILE 47 -7.642 -6.510 3.191 355 HD13 ILE 47 HD13 ILE 47 -7.195 -5.331 4.421 356 H GLY 48 HN GLY 48 -9.281 -0.784 0.590 357 HA2 GLY 48 HA2 GLY 48 -9.011 1.558 2.194 358 HA3 GLY 48 HA1 GLY 48 -10.380 1.217 1.134 359 H CYS 49 HN CYS 49 -10.278 2.327 3.932 360 HA CYS 49 HA CYS 49 -11.359 0.291 5.687 361 HB2 CYS 49 HB2 CYS 49 -10.252 2.428 6.454 362 HB3 CYS 49 HB1 CYS 49 -11.688 3.296 5.911 363 HG CYS 49 HG CYS 49 -12.353 1.011 7.831 364 H ASP 50 HN ASP 50 -12.671 2.330 3.214 365 HA ASP 50 HA ASP 50 -15.413 2.324 4.112 366 HB2 ASP 50 HB2 ASP 50 -14.319 2.547 1.289 367 HB3 ASP 50 HB1 ASP 50 -15.941 3.004 1.812 368 H CYS 51 HN CYS 51 -13.370 -0.080 2.806 369 HA CYS 51 HA CYS 51 -15.681 -1.750 1.896 370 HB2 CYS 51 HB2 CYS 51 -12.692 -2.146 1.542 371 HB3 CYS 51 HB1 CYS 51 -13.949 -3.194 0.885 372 HG CYS 51 HG CYS 51 -14.781 -1.096 -0.542 373 H LYS 52 HN LYS 52 -15.046 -4.239 2.404 374 HA LYS 52 HA LYS 52 -15.131 -4.429 5.310 375 HB2 LYS 52 HB2 LYS 52 -15.311 -6.869 4.899 376 HB3 LYS 52 HB1 LYS 52 -16.465 -5.954 3.931 377 HG2 LYS 52 HG2 LYS 52 -14.521 -6.001 2.122 378 HG3 LYS 52 HG1 LYS 52 -13.967 -7.387 3.057 379 HD2 LYS 52 HD2 LYS 52 -15.369 -8.446 1.528 380 HD3 LYS 52 HD1 LYS 52 -16.499 -8.159 2.850 381 HE2 LYS 52 HE2 LYS 52 -17.505 -7.478 0.719 382 HE3 LYS 52 HE1 LYS 52 -17.238 -6.061 1.734 383 HZ1 LYS 52 HZ1 LYS 52 -16.167 -5.241 -0.021 384 HZ2 LYS 52 HZ2 LYS 52 -16.062 -6.752 -0.792 385 HZ3 LYS 52 HZ3 LYS 52 -14.908 -6.307 0.373 386 H ASP 53 HN ASP 53 -13.291 -4.261 6.481 387 HA ASP 53 HA ASP 53 -10.731 -5.322 5.337 388 HB2 ASP 53 HB2 ASP 53 -9.623 -3.857 6.979 389 HB3 ASP 53 HB1 ASP 53 -10.718 -2.930 5.952 390 H LEU 54 HN LEU 54 -10.664 -7.455 5.998 391 HA LEU 54 HA LEU 54 -11.540 -8.228 8.665 392 HB2 LEU 54 HB2 LEU 54 -11.405 -9.566 6.310 393 HB3 LEU 54 HB1 LEU 54 -9.863 -10.060 6.976 394 HG LEU 54 HG LEU 54 -12.606 -10.916 7.695 395 HD11 LEU 54 HD11 LEU 54 -11.330 -12.903 8.544 396 HD12 LEU 54 HD12 LEU 54 -9.856 -12.089 8.031 397 HD13 LEU 54 HD13 LEU 54 -11.089 -12.516 6.845 398 HD21 LEU 54 HD21 LEU 54 -10.731 -10.074 9.884 399 HD22 LEU 54 HD22 LEU 54 -11.769 -11.468 10.120 400 HD23 LEU 54 HD23 LEU 54 -12.480 -9.895 9.796 401 H SER 55 HN SER 55 -10.234 -8.190 10.454 402 HA SER 55 HA SER 55 -7.261 -7.965 10.057 403 HB2 SER 55 HB2 SER 55 -7.338 -6.906 12.370 404 HB3 SER 55 HB1 SER 55 -8.070 -5.952 11.083 405 HG SER 55 HG SER 55 -9.808 -7.717 12.225 406 H TYR 56 HN TYR 56 -6.155 -9.743 10.748 407 HA TYR 56 HA TYR 56 -7.130 -11.230 13.122 408 HB2 TYR 56 HB2 TYR 56 -8.022 -12.171 10.796 409 HB3 TYR 56 HB1 TYR 56 -6.401 -12.850 10.686 410 HD1 TYR 56 HD1 TYR 56 -5.539 -14.156 12.756 411 HD2 TYR 56 HD2 TYR 56 -9.680 -13.296 12.047 412 HE1 TYR 56 HE1 TYR 56 -6.178 -15.985 14.303 413 HE2 TYR 56 HE2 TYR 56 -10.322 -15.126 13.592 414 HH TYR 56 HH TYR 56 -7.966 -16.770 15.577 415 H LYS 57 HN LYS 57 -5.382 -11.567 14.399 416 HA LYS 57 HA LYS 57 -3.157 -11.777 15.084 417 HB2 LYS 57 HB2 LYS 57 -3.477 -13.900 13.762 418 HB3 LYS 57 HB1 LYS 57 -2.759 -13.073 12.382 419 HG2 LYS 57 HG2 LYS 57 -0.686 -12.733 13.603 420 HG3 LYS 57 HG1 LYS 57 -1.412 -13.355 15.083 421 HD2 LYS 57 HD2 LYS 57 -1.686 -15.561 14.056 422 HD3 LYS 57 HD1 LYS 57 -1.036 -14.952 12.533 423 HE2 LYS 57 HE2 LYS 57 0.529 -14.800 15.115 424 HE3 LYS 57 HE1 LYS 57 0.609 -16.205 14.053 425 HZ1 LYS 57 HZ1 LYS 57 1.582 -14.996 12.374 426 HZ2 LYS 57 HZ2 LYS 57 2.288 -14.288 13.748 427 HZ3 LYS 57 HZ3 LYS 57 1.008 -13.508 12.948 428 H ASP 58 HN ASP 58 -3.415 -9.297 14.503 429 HA ASP 58 HA ASP 58 -2.441 -7.346 13.645 430 HB2 ASP 58 HB2 ASP 58 -0.592 -8.381 14.981 431 HB3 ASP 58 HB1 ASP 58 0.008 -9.118 13.494 432 H ARG 59 HN ARG 59 -3.234 -9.674 11.593 433 HA ARG 59 HA ARG 59 -1.796 -8.474 9.245 434 HB2 ARG 59 HB2 ARG 59 -3.098 -11.184 9.606 435 HB3 ARG 59 HB1 ARG 59 -2.547 -10.567 8.054 436 HG2 ARG 59 HG2 ARG 59 -0.287 -10.498 8.760 437 HG3 ARG 59 HG1 ARG 59 -0.719 -10.690 10.452 438 HD2 ARG 59 HD2 ARG 59 -1.590 -12.958 9.953 439 HD3 ARG 59 HD1 ARG 59 -1.071 -12.766 8.281 440 HE ARG 59 HE ARG 59 1.230 -12.277 9.741 441 HH11 ARG 59 HH21 ARG 59 -1.144 -14.773 9.579 442 HH12 ARG 59 HH22 ARG 59 -0.040 -16.034 10.015 443 HH21 ARG 59 HH11 ARG 59 2.685 -13.910 10.309 444 HH22 ARG 59 HH12 ARG 59 2.127 -15.546 10.428 445 H HIS 60 HN HIS 60 -3.211 -8.381 7.246 446 HA HIS 60 HA HIS 60 -6.056 -7.729 7.973 447 HB2 HIS 60 HB2 HIS 60 -4.213 -6.273 6.058 448 HB3 HIS 60 HB1 HIS 60 -5.930 -5.930 6.263 449 HD2 HIS 60 HD2 HIS 60 -6.614 -4.699 8.761 450 HE1 HIS 60 HE1 HIS 60 -2.628 -4.030 9.980 451 HE2 HIS 60 HE2 HIS 60 -5.060 -3.505 10.486 452 H TRP 61 HN TRP 61 -7.615 -8.191 6.372 453 HA TRP 61 HA TRP 61 -6.817 -9.448 3.840 454 HB2 TRP 61 HB2 TRP 61 -7.699 -11.007 6.242 455 HB3 TRP 61 HB1 TRP 61 -8.416 -11.487 4.710 456 HD1 TRP 61 HD1 TRP 61 -6.312 -11.594 2.664 457 HE1 TRP 61 HE1 TRP 61 -4.161 -13.003 2.882 458 HE3 TRP 61 HE3 TRP 61 -6.083 -12.088 7.743 459 HZ2 TRP 61 HZ2 TRP 61 -2.552 -14.172 4.935 460 HZ3 TRP 61 HZ3 TRP 61 -4.229 -13.346 8.803 461 HH2 TRP 61 HH2 TRP 61 -2.469 -14.394 7.404 462 H HIS 62 HN HIS 62 -8.645 -9.599 2.397 463 HA HIS 62 HA HIS 62 -10.904 -7.871 3.120 464 HB2 HIS 62 HB2 HIS 62 -10.292 -9.584 0.693 465 HB3 HIS 62 HB1 HIS 62 -11.806 -8.716 0.866 466 HD2 HIS 62 HD2 HIS 62 -11.198 -5.775 1.428 467 HE1 HIS 62 HE1 HIS 62 -7.858 -5.943 -1.147 468 HE2 HIS 62 HE2 HIS 62 -9.466 -4.390 0.053 469 H GLU 63 HN GLU 63 -12.815 -8.685 4.042 470 HA GLU 63 HA GLU 63 -13.021 -11.167 5.250 471 HB2 GLU 63 HB2 GLU 63 -14.966 -9.126 4.333 472 HB3 GLU 63 HB1 GLU 63 -15.670 -10.732 4.491 473 HG2 GLU 63 HG2 GLU 63 -15.916 -9.588 6.607 474 HG3 GLU 63 HG1 GLU 63 -14.709 -10.851 6.813 475 H ALA 64 HN ALA 64 -13.383 -10.484 1.834 476 HA ALA 64 HA ALA 64 -14.532 -13.150 1.268 477 HB1 ALA 64 HB1 ALA 64 -14.679 -12.402 -1.018 478 HB2 ALA 64 HB2 ALA 64 -13.610 -11.038 -0.695 479 HB3 ALA 64 HB3 ALA 64 -15.225 -11.080 0.013 480 H CYS 65 HN CYS 65 -11.384 -11.657 1.354 481 HA CYS 65 HA CYS 65 -10.163 -13.605 -0.471 482 HB2 CYS 65 HB2 CYS 65 -9.080 -11.443 1.324 483 HB3 CYS 65 HB1 CYS 65 -8.011 -12.582 0.509 484 H PHE 66 HN PHE 66 -10.604 -13.267 2.994 485 HA PHE 66 HA PHE 66 -8.730 -15.359 3.695 486 HB2 PHE 66 HB2 PHE 66 -9.876 -13.428 5.119 487 HB3 PHE 66 HB1 PHE 66 -11.098 -14.657 5.416 488 HD1 PHE 66 HD2 PHE 66 -9.903 -17.107 5.856 489 HD2 PHE 66 HD1 PHE 66 -8.260 -13.261 6.782 490 HE1 PHE 66 HE2 PHE 66 -8.447 -18.151 7.553 491 HE2 PHE 66 HE1 PHE 66 -6.786 -14.303 8.488 492 HZ PHE 66 HZ PHE 66 -6.880 -16.753 8.867 493 H HIS 67 HN HIS 67 -9.154 -17.320 2.671 494 HA HIS 67 HA HIS 67 -11.645 -18.683 3.447 495 HB2 HIS 67 HB2 HIS 67 -12.050 -19.354 1.021 496 HB3 HIS 67 HB1 HIS 67 -12.407 -17.673 1.414 497 HD2 HIS 67 HD2 HIS 67 -11.691 -17.705 -1.604 498 HE1 HIS 67 HE1 HIS 67 -7.628 -17.122 -0.617 499 HE2 HIS 67 HE2 HIS 67 -9.336 -17.013 -2.493 500 H CYS 68 HN CYS 68 -11.625 -21.009 2.455 501 HA CYS 68 HA CYS 68 -9.015 -22.183 3.119 502 HB2 CYS 68 HB2 CYS 68 -10.923 -23.381 3.951 503 HB3 CYS 68 HB1 CYS 68 -11.709 -23.360 2.377 504 H SER 69 HN SER 69 -7.674 -23.275 1.631 505 HA SER 69 HA SER 69 -7.831 -22.364 -1.108 506 HB2 SER 69 HB2 SER 69 -5.733 -22.973 0.260 507 HB3 SER 69 HB1 SER 69 -6.113 -24.645 -0.127 508 HG SER 69 HG SER 69 -6.336 -23.408 -2.379 509 H GLN 70 HN GLN 70 -9.019 -25.195 0.552 510 HA GLN 70 HA GLN 70 -9.460 -26.633 -2.023 511 HB2 GLN 70 HB2 GLN 70 -10.076 -27.591 0.780 512 HB3 GLN 70 HB1 GLN 70 -9.955 -28.567 -0.683 513 HG2 GLN 70 HG2 GLN 70 -7.625 -26.930 0.306 514 HG3 GLN 70 HG1 GLN 70 -7.914 -28.554 0.907 515 HE21 GLN 70 HE21 GLN 70 -6.178 -26.905 -1.371 516 HE22 GLN 70 HE22 GLN 70 -6.017 -28.117 -2.540 517 H CYS 71 HN CYS 71 -11.335 -25.608 0.835 518 HA CYS 71 HA CYS 71 -13.857 -26.155 -0.631 519 HB2 CYS 71 HB2 CYS 71 -13.711 -24.936 2.123 520 HB3 CYS 71 HB1 CYS 71 -14.951 -25.986 1.433 521 H ARG 72 HN ARG 72 -11.761 -23.578 -0.464 522 HA ARG 72 HA ARG 72 -12.011 -21.271 -0.743 523 HB2 ARG 72 HB2 ARG 72 -12.958 -22.564 -2.873 524 HB3 ARG 72 HB1 ARG 72 -14.476 -21.832 -2.362 525 HG2 ARG 72 HG2 ARG 72 -13.511 -19.611 -2.484 526 HG3 ARG 72 HG1 ARG 72 -11.911 -20.267 -2.819 527 HD2 ARG 72 HD2 ARG 72 -13.090 -21.419 -4.854 528 HD3 ARG 72 HD1 ARG 72 -14.331 -20.196 -4.607 529 HE ARG 72 HE ARG 72 -11.834 -19.799 -5.919 530 HH11 ARG 72 HH21 ARG 72 -13.811 -18.298 -3.516 531 HH12 ARG 72 HH22 ARG 72 -12.993 -16.778 -3.619 532 HH21 ARG 72 HH11 ARG 72 -10.790 -17.823 -6.075 533 HH22 ARG 72 HH12 ARG 72 -11.296 -16.505 -5.072 534 H ASN 73 HN ASN 73 -13.729 -22.719 1.379 535 HA ASN 73 HA ASN 73 -16.129 -21.138 1.677 536 HB2 ASN 73 HB2 ASN 73 -14.442 -22.771 3.580 537 HB3 ASN 73 HB1 ASN 73 -15.844 -21.861 4.143 538 HD21 ASN 73 HD21 ASN 73 -17.645 -22.222 2.075 539 HD22 ASN 73 HD22 ASN 73 -18.025 -23.865 1.910 540 H SER 74 HN SER 74 -16.370 -19.261 3.069 541 HA SER 74 HA SER 74 -13.897 -17.652 3.219 542 HB2 SER 74 HB2 SER 74 -16.709 -16.935 4.100 543 HB3 SER 74 HB1 SER 74 -15.366 -15.821 3.861 544 HG SER 74 HG SER 74 -15.540 -17.176 1.648 545 H LEU 75 HN LEU 75 -12.645 -18.526 4.925 546 HA LEU 75 HA LEU 75 -13.899 -19.131 7.503 547 HB2 LEU 75 HB2 LEU 75 -10.942 -18.836 6.971 548 HB3 LEU 75 HB1 LEU 75 -11.724 -19.775 8.230 549 HG LEU 75 HG LEU 75 -12.266 -20.418 5.328 550 HD11 LEU 75 HD11 LEU 75 -9.729 -20.879 6.828 551 HD12 LEU 75 HD12 LEU 75 -9.998 -20.641 5.107 552 HD13 LEU 75 HD13 LEU 75 -10.340 -22.203 5.842 553 HD21 LEU 75 HD21 LEU 75 -12.644 -22.640 6.258 554 HD22 LEU 75 HD22 LEU 75 -13.592 -21.448 7.148 555 HD23 LEU 75 HD23 LEU 75 -12.102 -22.089 7.843 556 H VAL 76 HN VAL 76 -14.466 -17.467 8.799 557 HA VAL 76 HA VAL 76 -12.530 -15.254 9.224 558 HB VAL 76 HB VAL 76 -15.481 -14.935 8.568 559 HG11 VAL 76 HG11 VAL 76 -14.921 -12.461 8.948 560 HG12 VAL 76 HG12 VAL 76 -13.485 -13.030 9.799 561 HG13 VAL 76 HG13 VAL 76 -15.090 -13.459 10.392 562 HG21 VAL 76 HG21 VAL 76 -12.889 -14.052 7.272 563 HG22 VAL 76 HG22 VAL 76 -14.425 -13.276 6.899 564 HG23 VAL 76 HG23 VAL 76 -14.198 -14.991 6.558 565 H ASP 77 HN ASP 77 -12.305 -14.928 11.425 566 HA ASP 77 HA ASP 77 -12.636 -15.363 13.717 567 HB2 ASP 77 HB2 ASP 77 -14.461 -13.771 13.452 568 HB3 ASP 77 HB1 ASP 77 -15.511 -15.026 12.799 569 H LYS 78 HN LYS 78 -12.981 -17.534 11.474 570 HA LYS 78 HA LYS 78 -14.232 -19.656 13.174 571 HB2 LYS 78 HB2 LYS 78 -14.035 -19.171 10.221 572 HB3 LYS 78 HB1 LYS 78 -13.990 -20.849 10.750 573 HG2 LYS 78 HG2 LYS 78 -16.106 -20.465 12.024 574 HG3 LYS 78 HG1 LYS 78 -16.169 -18.828 11.373 575 HD2 LYS 78 HD2 LYS 78 -15.910 -21.154 9.469 576 HD3 LYS 78 HD1 LYS 78 -17.484 -20.784 10.165 577 HE2 LYS 78 HE2 LYS 78 -15.884 -18.555 8.939 578 HE3 LYS 78 HE1 LYS 78 -16.764 -19.664 7.890 579 HZ1 LYS 78 HZ1 LYS 78 -18.000 -17.624 8.654 580 HZ2 LYS 78 HZ2 LYS 78 -18.038 -18.325 10.201 581 HZ3 LYS 78 HZ3 LYS 78 -18.790 -19.106 8.893 582 HA PRO 79 HA PRO 79 -10.189 -21.390 13.692 583 HB2 PRO 79 HB2 PRO 79 -10.803 -24.139 13.250 584 HB3 PRO 79 HB1 PRO 79 -10.803 -23.300 14.805 585 HG2 PRO 79 HG2 PRO 79 -13.104 -24.163 13.179 586 HG3 PRO 79 HG1 PRO 79 -13.072 -23.660 14.875 587 HD2 PRO 79 HD2 PRO 79 -14.085 -22.132 12.706 588 HD3 PRO 79 HD1 PRO 79 -13.739 -21.534 14.342 589 H PHE 80 HN PHE 80 -8.452 -21.681 12.278 590 HA PHE 80 HA PHE 80 -8.858 -23.067 9.702 591 HB2 PHE 80 HB2 PHE 80 -7.928 -21.189 8.372 592 HB3 PHE 80 HB1 PHE 80 -9.476 -20.768 9.117 593 HD1 PHE 80 HD1 PHE 80 -5.760 -20.453 9.549 594 HD2 PHE 80 HD2 PHE 80 -9.635 -18.914 10.571 595 HE1 PHE 80 HE1 PHE 80 -4.703 -18.530 10.700 596 HE2 PHE 80 HE2 PHE 80 -8.574 -16.993 11.720 597 HZ PHE 80 HZ PHE 80 -6.102 -16.800 11.782 598 H ALA 81 HN ALA 81 -6.889 -23.753 8.768 599 HA ALA 81 HA ALA 81 -4.584 -23.701 10.649 600 HB1 ALA 81 HB1 ALA 81 -5.526 -25.844 9.491 601 HB2 ALA 81 HB2 ALA 81 -3.779 -25.609 9.529 602 HB3 ALA 81 HB3 ALA 81 -4.685 -25.248 8.059 603 H ALA 82 HN ALA 82 -3.192 -22.056 10.314 604 HA ALA 82 HA ALA 82 -3.099 -20.640 7.763 605 HB1 ALA 82 HB1 ALA 82 -2.781 -19.223 9.614 606 HB2 ALA 82 HB2 ALA 82 -1.146 -19.431 8.998 607 HB3 ALA 82 HB3 ALA 82 -1.682 -20.347 10.408 608 H LYS 83 HN LYS 83 -2.120 -21.703 6.123 609 HA LYS 83 HA LYS 83 0.325 -23.300 6.615 610 HB2 LYS 83 HB2 LYS 83 -1.293 -24.325 5.145 611 HB3 LYS 83 HB1 LYS 83 -1.397 -22.874 4.161 612 HG2 LYS 83 HG2 LYS 83 0.720 -23.193 3.207 613 HG3 LYS 83 HG1 LYS 83 1.254 -24.254 4.512 614 HD2 LYS 83 HD2 LYS 83 -0.174 -26.038 3.750 615 HD3 LYS 83 HD1 LYS 83 -0.969 -24.976 2.587 616 HE2 LYS 83 HE2 LYS 83 0.752 -26.470 1.541 617 HE3 LYS 83 HE1 LYS 83 1.084 -24.754 1.306 618 HZ1 LYS 83 HZ1 LYS 83 2.204 -26.028 3.682 619 HZ2 LYS 83 HZ2 LYS 83 2.852 -24.804 2.698 620 HZ3 LYS 83 HZ3 LYS 83 2.906 -26.424 2.190 621 H GLU 84 HN GLU 84 2.224 -22.854 5.193 622 HA GLU 84 HA GLU 84 3.418 -20.452 5.530 623 HB2 GLU 84 HB2 GLU 84 3.569 -22.257 3.114 624 HB3 GLU 84 HB1 GLU 84 4.636 -20.871 3.325 625 HG2 GLU 84 HG2 GLU 84 5.407 -21.782 5.483 626 HG3 GLU 84 HG1 GLU 84 4.336 -23.168 5.280 627 H ASP 85 HN ASP 85 1.623 -21.089 2.458 628 HA ASP 85 HA ASP 85 1.161 -18.121 2.278 629 HB2 ASP 85 HB2 ASP 85 2.060 -20.149 0.253 630 HB3 ASP 85 HB1 ASP 85 1.086 -18.792 -0.297 631 H GLN 86 HN GLN 86 -0.406 -20.977 2.855 632 HA GLN 86 HA GLN 86 -2.912 -19.998 1.499 633 HB2 GLN 86 HB2 GLN 86 -2.247 -22.898 2.013 634 HB3 GLN 86 HB1 GLN 86 -3.550 -22.244 1.028 635 HG2 GLN 86 HG2 GLN 86 -0.625 -21.768 0.404 636 HG3 GLN 86 HG1 GLN 86 -1.550 -23.109 -0.249 637 HE21 GLN 86 HE21 GLN 86 -0.433 -20.367 -1.389 638 HE22 GLN 86 HE22 GLN 86 -1.748 -19.793 -2.296 639 H LEU 87 HN LEU 87 -4.886 -20.988 2.481 640 HA LEU 87 HA LEU 87 -4.669 -21.391 5.428 641 HB2 LEU 87 HB2 LEU 87 -6.517 -19.551 3.883 642 HB3 LEU 87 HB1 LEU 87 -7.005 -20.205 5.445 643 HG LEU 87 HG LEU 87 -4.293 -18.925 5.200 644 HD11 LEU 87 HD11 LEU 87 -5.533 -17.153 4.272 645 HD12 LEU 87 HD12 LEU 87 -5.504 -16.769 5.992 646 HD13 LEU 87 HD13 LEU 87 -6.943 -17.493 5.273 647 HD21 LEU 87 HD21 LEU 87 -5.345 -20.187 7.259 648 HD22 LEU 87 HD22 LEU 87 -6.201 -18.670 7.501 649 HD23 LEU 87 HD23 LEU 87 -4.442 -18.696 7.507 650 H LEU 88 HN LEU 88 -5.869 -23.140 6.108 651 HA LEU 88 HA LEU 88 -7.769 -24.395 4.150 652 HB2 LEU 88 HB2 LEU 88 -5.500 -25.677 5.694 653 HB3 LEU 88 HB1 LEU 88 -6.786 -26.607 4.935 654 HG LEU 88 HG LEU 88 -5.322 -24.580 3.259 655 HD11 LEU 88 HD11 LEU 88 -3.444 -25.689 4.221 656 HD12 LEU 88 HD12 LEU 88 -3.699 -26.427 2.640 657 HD13 LEU 88 HD13 LEU 88 -4.227 -27.264 4.099 658 HD21 LEU 88 HD21 LEU 88 -6.498 -27.320 2.722 659 HD22 LEU 88 HD22 LEU 88 -5.745 -26.282 1.511 660 HD23 LEU 88 HD23 LEU 88 -7.234 -25.771 2.308 661 H CYS 89 HN CYS 89 -9.151 -26.085 5.293 662 HA CYS 89 HA CYS 89 -10.091 -24.963 7.852 663 HB2 CYS 89 HB2 CYS 89 -11.155 -27.438 6.470 664 HB3 CYS 89 HB1 CYS 89 -11.994 -26.375 7.595 665 H THR 90 HN THR 90 -9.769 -25.993 9.843 666 HA THR 90 HA THR 90 -7.586 -27.684 10.255 667 HB THR 90 HB THR 90 -8.464 -26.837 12.248 668 HG1 THR 90 HG1 THR 90 -9.835 -28.951 12.941 669 HG21 THR 90 HG21 THR 90 -11.157 -27.705 11.182 670 HG22 THR 90 HG22 THR 90 -10.588 -26.058 11.459 671 HG23 THR 90 HG23 THR 90 -10.919 -27.119 12.829 672 H ASP 91 HN ASP 91 -10.559 -28.437 8.786 673 HA ASP 91 HA ASP 91 -10.412 -31.335 9.288 674 HB2 ASP 91 HB2 ASP 91 -12.117 -29.764 7.341 675 HB3 ASP 91 HB1 ASP 91 -12.329 -31.463 7.755 676 H CYS 92 HN CYS 92 -9.907 -29.093 6.561 677 HA CYS 92 HA CYS 92 -8.917 -31.193 4.804 678 HB2 CYS 92 HB2 CYS 92 -8.333 -28.255 4.426 679 HB3 CYS 92 HB1 CYS 92 -8.611 -29.491 3.201 680 H TYR 93 HN TYR 93 -7.464 -28.655 6.822 681 HA TYR 93 HA TYR 93 -4.758 -29.014 6.088 682 HB2 TYR 93 HB2 TYR 93 -5.749 -27.256 7.633 683 HB3 TYR 93 HB1 TYR 93 -5.734 -28.477 8.898 684 HD1 TYR 93 HD2 TYR 93 -3.492 -26.836 6.373 685 HD2 TYR 93 HD1 TYR 93 -3.792 -28.850 10.155 686 HE1 TYR 93 HE2 TYR 93 -1.087 -26.400 6.800 687 HE2 TYR 93 HE1 TYR 93 -1.392 -28.423 10.578 688 HH TYR 93 HH TYR 93 0.529 -26.412 8.392 689 H SER 94 HN SER 94 -6.606 -30.605 8.672 690 HA SER 94 HA SER 94 -4.470 -32.328 9.506 691 HB2 SER 94 HB2 SER 94 -6.327 -32.019 11.000 692 HB3 SER 94 HB1 SER 94 -7.479 -32.546 9.777 693 HG SER 94 HG SER 94 -7.154 -34.479 10.511 694 H ASN 95 HN ASN 95 -6.525 -32.365 6.754 695 HA ASN 95 HA ASN 95 -6.418 -35.237 6.287 696 HB2 ASN 95 HB2 ASN 95 -8.159 -33.585 5.364 697 HB3 ASN 95 HB1 ASN 95 -6.926 -33.117 4.193 698 HD21 ASN 95 HD21 ASN 95 -9.581 -34.823 4.071 699 HD22 ASN 95 HD22 ASN 95 -9.104 -36.182 3.172 700 H GLU 96 HN GLU 96 -4.509 -32.427 5.302 701 HA GLU 96 HA GLU 96 -2.714 -34.216 3.701 702 HB2 GLU 96 HB2 GLU 96 -1.721 -31.888 3.050 703 HB3 GLU 96 HB1 GLU 96 -3.275 -32.365 2.368 704 HG2 GLU 96 HG2 GLU 96 -4.489 -30.990 3.863 705 HG3 GLU 96 HG1 GLU 96 -3.108 -30.793 4.940 706 H TYR 97 HN TYR 97 -2.713 -31.855 6.360 707 HA TYR 97 HA TYR 97 0.034 -31.713 6.892 708 HB2 TYR 97 HB2 TYR 97 -1.554 -30.374 8.150 709 HB3 TYR 97 HB1 TYR 97 -2.292 -31.820 8.834 710 HD1 TYR 97 HD2 TYR 97 0.967 -29.993 8.616 711 HD2 TYR 97 HD1 TYR 97 -1.480 -32.722 10.857 712 HE1 TYR 97 HE2 TYR 97 2.616 -29.951 10.469 713 HE2 TYR 97 HE1 TYR 97 0.168 -32.679 12.709 714 HH TYR 97 HH TYR 97 2.952 -30.500 12.642 715 H SER 98 HN SER 98 -2.257 -34.292 7.680 716 HA SER 98 HA SER 98 -0.703 -35.830 9.445 717 HB2 SER 98 HB2 SER 98 -2.935 -36.552 9.004 718 HB3 SER 98 HB1 SER 98 -2.641 -36.641 7.270 719 HG SER 98 HG SER 98 -1.651 -38.305 9.337 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -12.326 30.522 0.642 2 H2 MET 1 HT2 MET 1 -10.693 30.611 0.178 3 H3 MET 1 HT3 MET 1 -11.554 29.158 -0.007 4 HA MET 1 HA MET 1 -12.566 29.806 -1.895 5 HB2 MET 1 HB2 MET 1 -13.673 31.690 -0.551 6 HB3 MET 1 HB1 MET 1 -12.341 32.712 -1.089 7 HG2 MET 1 HG2 MET 1 -14.135 33.022 -2.661 8 HG3 MET 1 HG1 MET 1 -12.914 32.034 -3.464 9 HE1 MET 1 HE1 MET 1 -15.180 32.195 -4.812 10 HE2 MET 1 HE2 MET 1 -16.237 30.787 -4.889 11 HE3 MET 1 HE3 MET 1 -14.530 30.621 -5.291 12 H THR 2 HN THR 2 -9.960 31.932 -0.721 13 HA THR 2 HA THR 2 -8.877 32.315 -3.401 14 HB THR 2 HB THR 2 -8.609 33.994 -1.565 15 HG1 THR 2 HG1 THR 2 -6.834 34.568 -2.514 16 HG21 THR 2 HG21 THR 2 -6.544 32.105 -0.436 17 HG22 THR 2 HG22 THR 2 -8.200 32.145 0.170 18 HG23 THR 2 HG23 THR 2 -7.184 33.581 0.285 19 H GLU 3 HN GLU 3 -8.009 30.369 -0.556 20 HA GLU 3 HA GLU 3 -5.605 29.247 -1.515 21 HB2 GLU 3 HB2 GLU 3 -5.975 27.466 0.069 22 HB3 GLU 3 HB1 GLU 3 -6.595 28.947 0.789 23 HG2 GLU 3 HG2 GLU 3 -8.877 28.258 -0.218 24 HG3 GLU 3 HG1 GLU 3 -8.152 26.665 -0.433 25 H ARG 4 HN ARG 4 -5.498 26.783 -2.056 26 HA ARG 4 HA ARG 4 -7.136 26.403 -4.497 27 HB2 ARG 4 HB2 ARG 4 -4.691 24.956 -3.453 28 HB3 ARG 4 HB1 ARG 4 -5.443 24.681 -5.019 29 HG2 ARG 4 HG2 ARG 4 -4.474 27.408 -4.123 30 HG3 ARG 4 HG1 ARG 4 -3.438 26.282 -4.991 31 HD2 ARG 4 HD2 ARG 4 -5.750 26.332 -6.565 32 HD3 ARG 4 HD1 ARG 4 -5.605 27.999 -6.025 33 HE ARG 4 HE ARG 4 -4.088 26.870 -8.093 34 HH11 ARG 4 HH21 ARG 4 -3.466 28.431 -5.073 35 HH12 ARG 4 HH22 ARG 4 -1.887 28.963 -5.533 36 HH21 ARG 4 HH11 ARG 4 -2.042 27.571 -8.699 37 HH22 ARG 4 HH12 ARG 4 -1.084 28.483 -7.581 38 H PHE 5 HN PHE 5 -8.502 24.645 -4.746 39 HA PHE 5 HA PHE 5 -8.945 22.940 -2.318 40 HB2 PHE 5 HB2 PHE 5 -10.751 24.585 -3.339 41 HB3 PHE 5 HB1 PHE 5 -10.986 23.293 -4.508 42 HD1 PHE 5 HD1 PHE 5 -10.790 23.962 -0.840 43 HD2 PHE 5 HD2 PHE 5 -12.348 21.451 -3.949 44 HE1 PHE 5 HE1 PHE 5 -12.161 22.757 0.827 45 HE2 PHE 5 HE2 PHE 5 -13.729 20.240 -2.277 46 HZ PHE 5 HZ PHE 5 -13.633 20.885 0.106 47 H ASP 6 HN ASP 6 -7.002 21.832 -3.502 48 HA ASP 6 HA ASP 6 -8.150 19.664 -5.216 49 HB2 ASP 6 HB2 ASP 6 -5.371 20.774 -5.666 50 HB3 ASP 6 HB1 ASP 6 -6.303 19.704 -6.715 51 H CYS 7 HN CYS 7 -7.203 17.635 -4.889 52 HA CYS 7 HA CYS 7 -6.254 17.098 -2.273 53 HB2 CYS 7 HB2 CYS 7 -7.231 15.313 -3.469 54 HB3 CYS 7 HB1 CYS 7 -6.178 15.544 -4.850 55 H HIS 8 HN HIS 8 -4.403 18.138 -1.631 56 HA HIS 8 HA HIS 8 -2.250 19.038 -3.099 57 HB2 HIS 8 HB2 HIS 8 -2.635 19.341 -0.658 58 HB3 HIS 8 HB1 HIS 8 -2.023 17.731 -0.386 59 HD2 HIS 8 HD2 HIS 8 -0.617 21.135 -1.891 60 HE1 HIS 8 HE1 HIS 8 2.617 18.784 -0.535 61 HE2 HIS 8 HE2 HIS 8 1.966 21.029 -1.527 62 H HIS 9 HN HIS 9 -3.019 15.706 -2.462 63 HA HIS 9 HA HIS 9 -0.271 14.831 -3.130 64 HB2 HIS 9 HB2 HIS 9 -1.413 13.618 -1.371 65 HB3 HIS 9 HB1 HIS 9 -2.766 13.264 -2.431 66 HD2 HIS 9 HD2 HIS 9 -1.516 10.547 -1.530 67 HE1 HIS 9 HE1 HIS 9 0.977 10.642 -4.937 68 HE2 HIS 9 HE2 HIS 9 0.046 9.160 -3.098 69 H CYS 10 HN CYS 10 -3.512 13.916 -4.454 70 HA CYS 10 HA CYS 10 -2.241 13.185 -7.009 71 HB2 CYS 10 HB2 CYS 10 -5.209 13.383 -6.493 72 HB3 CYS 10 HB1 CYS 10 -4.376 12.362 -7.659 73 H ASN 11 HN ASN 11 -3.301 15.995 -5.613 74 HA ASN 11 HA ASN 11 -3.805 18.131 -6.390 75 HB2 ASN 11 HB2 ASN 11 -1.637 17.917 -7.436 76 HB3 ASN 11 HB1 ASN 11 -2.343 17.045 -8.782 77 HD21 ASN 11 HD21 ASN 11 -1.369 18.872 -10.099 78 HD22 ASN 11 HD22 ASN 11 -2.239 20.320 -10.232 79 H GLU 12 HN GLU 12 -5.633 15.744 -7.050 80 HA GLU 12 HA GLU 12 -7.008 16.799 -9.469 81 HB2 GLU 12 HB2 GLU 12 -8.352 14.805 -9.388 82 HB3 GLU 12 HB1 GLU 12 -6.688 14.305 -9.094 83 HG2 GLU 12 HG2 GLU 12 -7.214 14.491 -6.606 84 HG3 GLU 12 HG1 GLU 12 -8.903 14.640 -7.058 85 H SER 13 HN SER 13 -8.846 18.037 -9.298 86 HA SER 13 HA SER 13 -9.587 19.401 -6.992 87 HB2 SER 13 HB2 SER 13 -11.841 19.680 -8.081 88 HB3 SER 13 HB1 SER 13 -10.484 20.056 -9.139 89 HG SER 13 HG SER 13 -11.146 17.418 -9.193 90 H LEU 14 HN LEU 14 -10.741 18.864 -5.127 91 HA LEU 14 HA LEU 14 -11.241 16.142 -4.474 92 HB2 LEU 14 HB2 LEU 14 -12.455 18.680 -3.371 93 HB3 LEU 14 HB1 LEU 14 -12.779 17.104 -2.698 94 HG LEU 14 HG LEU 14 -11.025 18.244 -1.458 95 HD11 LEU 14 HD11 LEU 14 -11.030 15.667 -2.093 96 HD12 LEU 14 HD12 LEU 14 -9.699 16.389 -1.194 97 HD13 LEU 14 HD13 LEU 14 -9.537 16.112 -2.925 98 HD21 LEU 14 HD21 LEU 14 -10.251 19.512 -3.554 99 HD22 LEU 14 HD22 LEU 14 -9.278 18.077 -3.890 100 HD23 LEU 14 HD23 LEU 14 -9.020 18.990 -2.407 101 H PHE 15 HN PHE 15 -12.885 14.836 -5.001 102 HA PHE 15 HA PHE 15 -14.740 15.724 -7.037 103 HB2 PHE 15 HB2 PHE 15 -15.394 13.336 -7.076 104 HB3 PHE 15 HB1 PHE 15 -13.654 13.566 -7.195 105 HD1 PHE 15 HD2 PHE 15 -12.231 13.347 -5.021 106 HD2 PHE 15 HD1 PHE 15 -16.326 12.064 -5.329 107 HE1 PHE 15 HE2 PHE 15 -11.954 11.964 -2.992 108 HE2 PHE 15 HE1 PHE 15 -16.032 10.662 -3.308 109 HZ PHE 15 HZ PHE 15 -13.850 10.615 -2.137 110 H GLY 16 HN GLY 16 -16.376 17.021 -6.210 111 HA2 GLY 16 HA2 GLY 16 -18.380 17.520 -5.083 112 HA3 GLY 16 HA1 GLY 16 -18.750 15.873 -5.561 113 H LYS 17 HN LYS 17 -16.177 15.926 -3.243 114 HA LYS 17 HA LYS 17 -18.214 15.485 -1.058 115 HB2 LYS 17 HB2 LYS 17 -17.549 13.330 -2.017 116 HB3 LYS 17 HB1 LYS 17 -15.854 13.712 -1.712 117 HG2 LYS 17 HG2 LYS 17 -16.131 13.644 0.633 118 HG3 LYS 17 HG1 LYS 17 -17.884 13.765 0.519 119 HD2 LYS 17 HD2 LYS 17 -16.277 11.403 -0.504 120 HD3 LYS 17 HD1 LYS 17 -17.046 11.453 1.081 121 HE2 LYS 17 HE2 LYS 17 -18.828 10.509 -0.014 122 HE3 LYS 17 HE1 LYS 17 -19.154 12.151 -0.566 123 HZ1 LYS 17 HZ1 LYS 17 -17.267 10.431 -2.033 124 HZ2 LYS 17 HZ2 LYS 17 -18.171 11.753 -2.599 125 HZ3 LYS 17 HZ3 LYS 17 -18.936 10.271 -2.281 126 H LYS 18 HN LYS 18 -17.439 15.548 1.089 127 HA LYS 18 HA LYS 18 -15.834 17.743 1.748 128 HB2 LYS 18 HB2 LYS 18 -15.553 16.550 4.008 129 HB3 LYS 18 HB1 LYS 18 -17.206 16.873 3.485 130 HG2 LYS 18 HG2 LYS 18 -17.395 14.597 2.614 131 HG3 LYS 18 HG1 LYS 18 -15.734 14.254 3.085 132 HD2 LYS 18 HD2 LYS 18 -17.953 15.045 4.999 133 HD3 LYS 18 HD1 LYS 18 -17.394 13.395 4.738 134 HE2 LYS 18 HE2 LYS 18 -15.019 14.449 5.305 135 HE3 LYS 18 HE1 LYS 18 -16.003 15.667 6.118 136 HZ1 LYS 18 HZ1 LYS 18 -15.290 13.223 7.114 137 HZ2 LYS 18 HZ2 LYS 18 -16.917 13.024 6.667 138 HZ3 LYS 18 HZ3 LYS 18 -16.474 14.259 7.746 139 H TYR 19 HN TYR 19 -13.673 17.523 3.023 140 HA TYR 19 HA TYR 19 -11.954 15.361 1.901 141 HB2 TYR 19 HB2 TYR 19 -10.345 16.972 1.064 142 HB3 TYR 19 HB1 TYR 19 -11.928 17.312 0.367 143 HD1 TYR 19 HD1 TYR 19 -13.429 19.037 1.621 144 HD2 TYR 19 HD2 TYR 19 -9.190 18.684 2.177 145 HE1 TYR 19 HE1 TYR 19 -13.366 21.329 2.556 146 HE2 TYR 19 HE2 TYR 19 -9.124 20.985 3.111 147 HH TYR 19 HH TYR 19 -11.429 22.531 4.345 148 H ILE 20 HN ILE 20 -9.901 15.189 2.986 149 HA ILE 20 HA ILE 20 -10.014 16.168 5.818 150 HB ILE 20 HB ILE 20 -8.546 13.806 4.610 151 HG12 ILE 20 HG12 ILE 20 -10.890 13.568 6.498 152 HG13 ILE 20 HG11 ILE 20 -11.205 13.847 4.790 153 HG21 ILE 20 HG21 ILE 20 -7.404 14.585 6.573 154 HG22 ILE 20 HG22 ILE 20 -8.340 13.170 7.055 155 HG23 ILE 20 HG23 ILE 20 -8.921 14.788 7.449 156 HD11 ILE 20 HD11 ILE 20 -9.827 11.870 4.216 157 HD12 ILE 20 HD12 ILE 20 -11.185 11.441 5.257 158 HD13 ILE 20 HD13 ILE 20 -9.561 11.569 5.934 159 H LEU 21 HN LEU 21 -8.231 17.265 6.660 160 HA LEU 21 HA LEU 21 -6.147 18.093 4.704 161 HB2 LEU 21 HB2 LEU 21 -6.753 19.055 7.519 162 HB3 LEU 21 HB1 LEU 21 -5.411 19.640 6.530 163 HG LEU 21 HG LEU 21 -7.414 21.132 6.462 164 HD11 LEU 21 HD11 LEU 21 -7.126 19.959 3.719 165 HD12 LEU 21 HD12 LEU 21 -5.716 20.672 4.491 166 HD13 LEU 21 HD13 LEU 21 -7.158 21.644 4.213 167 HD21 LEU 21 HD21 LEU 21 -8.790 19.026 4.797 168 HD22 LEU 21 HD22 LEU 21 -9.477 20.452 5.570 169 HD23 LEU 21 HD23 LEU 21 -9.007 19.065 6.548 170 H ARG 22 HN ARG 22 -4.443 16.755 4.611 171 HA ARG 22 HA ARG 22 -3.459 15.452 7.131 172 HB2 ARG 22 HB2 ARG 22 -4.224 13.961 5.202 173 HB3 ARG 22 HB1 ARG 22 -2.877 14.624 4.284 174 HG2 ARG 22 HG2 ARG 22 -1.957 12.666 5.183 175 HG3 ARG 22 HG1 ARG 22 -1.422 13.893 6.322 176 HD2 ARG 22 HD2 ARG 22 -3.288 13.311 7.833 177 HD3 ARG 22 HD1 ARG 22 -3.867 12.127 6.667 178 HE ARG 22 HE ARG 22 -1.247 11.365 7.157 179 HH11 ARG 22 HH21 ARG 22 -4.054 12.056 9.036 180 HH12 ARG 22 HH22 ARG 22 -3.644 10.946 10.301 181 HH21 ARG 22 HH11 ARG 22 -0.694 9.912 8.798 182 HH22 ARG 22 HH12 ARG 22 -1.742 9.732 10.165 183 H GLU 23 HN GLU 23 -1.308 15.829 7.706 184 HA GLU 23 HA GLU 23 0.676 17.103 7.759 185 HB2 GLU 23 HB2 GLU 23 0.439 16.382 4.823 186 HB3 GLU 23 HB1 GLU 23 1.834 17.237 5.481 187 HG2 GLU 23 HG2 GLU 23 2.207 15.387 7.080 188 HG3 GLU 23 HG1 GLU 23 0.830 14.526 6.394 189 H GLU 24 HN GLU 24 -1.877 18.453 7.531 190 HA GLU 24 HA GLU 24 -2.710 20.610 7.219 191 HB2 GLU 24 HB2 GLU 24 0.104 21.444 6.478 192 HB3 GLU 24 HB1 GLU 24 -1.170 22.427 7.193 193 HG2 GLU 24 HG2 GLU 24 -1.083 21.016 9.239 194 HG3 GLU 24 HG1 GLU 24 0.253 20.108 8.533 195 H SER 25 HN SER 25 -2.784 18.756 5.020 196 HA SER 25 HA SER 25 -2.951 20.716 2.827 197 HB2 SER 25 HB2 SER 25 -1.600 18.098 2.237 198 HB3 SER 25 HB1 SER 25 -1.517 19.612 1.343 199 HG SER 25 HG SER 25 -0.243 20.468 2.942 200 HA PRO 26 HA PRO 26 -6.714 18.363 2.176 201 HB2 PRO 26 HB2 PRO 26 -7.036 19.066 -0.569 202 HB3 PRO 26 HB1 PRO 26 -7.753 19.896 0.815 203 HG2 PRO 26 HG2 PRO 26 -5.501 20.746 -0.879 204 HG3 PRO 26 HG1 PRO 26 -6.443 21.699 0.273 205 HD2 PRO 26 HD2 PRO 26 -3.789 20.775 0.659 206 HD3 PRO 26 HD1 PRO 26 -4.855 21.461 1.903 207 H TYR 27 HN TYR 27 -6.815 16.223 1.804 208 HA TYR 27 HA TYR 27 -5.343 15.044 -0.534 209 HB2 TYR 27 HB2 TYR 27 -5.666 14.099 2.321 210 HB3 TYR 27 HB1 TYR 27 -5.529 12.905 1.048 211 HD1 TYR 27 HD2 TYR 27 -3.477 15.695 0.079 212 HD2 TYR 27 HD1 TYR 27 -3.644 12.363 2.778 213 HE1 TYR 27 HE2 TYR 27 -1.036 15.752 0.284 214 HE2 TYR 27 HE1 TYR 27 -1.177 12.433 2.995 215 HH TYR 27 HH TYR 27 0.781 13.333 1.379 216 H CYS 28 HN CYS 28 -6.631 13.635 -1.785 217 HA CYS 28 HA CYS 28 -9.479 13.964 -1.523 218 HB2 CYS 28 HB2 CYS 28 -9.654 12.243 -3.281 219 HB3 CYS 28 HB1 CYS 28 -8.438 13.433 -3.700 220 H VAL 29 HN VAL 29 -11.016 12.402 -0.766 221 HA VAL 29 HA VAL 29 -10.549 11.113 1.625 222 HB VAL 29 HB VAL 29 -12.315 9.913 -0.517 223 HG11 VAL 29 HG11 VAL 29 -12.519 10.151 2.493 224 HG12 VAL 29 HG12 VAL 29 -12.139 8.685 1.589 225 HG13 VAL 29 HG13 VAL 29 -13.736 9.421 1.446 226 HG21 VAL 29 HG21 VAL 29 -12.659 12.423 1.137 227 HG22 VAL 29 HG22 VAL 29 -14.030 11.556 0.445 228 HG23 VAL 29 HG23 VAL 29 -12.800 12.246 -0.612 229 H VAL 30 HN VAL 30 -10.404 9.577 -1.573 230 HA VAL 30 HA VAL 30 -9.593 7.014 -0.909 231 HB VAL 30 HB VAL 30 -8.328 8.567 -3.171 232 HG11 VAL 30 HG11 VAL 30 -9.281 5.703 -2.901 233 HG12 VAL 30 HG12 VAL 30 -7.603 6.229 -2.773 234 HG13 VAL 30 HG13 VAL 30 -8.466 6.399 -4.301 235 HG21 VAL 30 HG21 VAL 30 -10.424 7.808 -4.435 236 HG22 VAL 30 HG22 VAL 30 -10.638 9.149 -3.311 237 HG23 VAL 30 HG23 VAL 30 -11.151 7.525 -2.854 238 H CYS 31 HN CYS 31 -7.357 9.776 -1.517 239 HA CYS 31 HA CYS 31 -4.940 8.512 -1.006 240 HB2 CYS 31 HB2 CYS 31 -5.916 11.288 -0.601 241 HB3 CYS 31 HB1 CYS 31 -4.445 10.858 0.264 242 H PHE 32 HN PHE 32 -6.724 10.300 1.520 243 HA PHE 32 HA PHE 32 -5.313 9.462 3.752 244 HB2 PHE 32 HB2 PHE 32 -7.303 11.024 3.718 245 HB3 PHE 32 HB1 PHE 32 -8.340 9.598 3.665 246 HD1 PHE 32 HD1 PHE 32 -8.146 7.874 5.532 247 HD2 PHE 32 HD2 PHE 32 -6.379 11.783 5.764 248 HE1 PHE 32 HE1 PHE 32 -7.969 7.649 7.997 249 HE2 PHE 32 HE2 PHE 32 -6.200 11.558 8.225 250 HZ PHE 32 HZ PHE 32 -6.996 9.491 9.344 251 H GLU 33 HN GLU 33 -7.981 7.616 2.212 252 HA GLU 33 HA GLU 33 -7.779 5.434 4.080 253 HB2 GLU 33 HB2 GLU 33 -8.974 5.573 1.309 254 HB3 GLU 33 HB1 GLU 33 -9.208 4.242 2.445 255 HG2 GLU 33 HG2 GLU 33 -9.815 7.090 3.239 256 HG3 GLU 33 HG1 GLU 33 -10.999 6.105 2.394 257 H THR 34 HN THR 34 -6.962 5.452 0.585 258 HA THR 34 HA THR 34 -5.599 3.025 0.517 259 HB THR 34 HB THR 34 -6.161 4.766 -1.366 260 HG1 THR 34 HG1 THR 34 -5.251 3.305 -2.543 261 HG21 THR 34 HG21 THR 34 -4.370 6.110 -2.138 262 HG22 THR 34 HG22 THR 34 -3.217 5.334 -1.052 263 HG23 THR 34 HG23 THR 34 -4.456 6.402 -0.406 264 H LEU 35 HN LEU 35 -4.215 6.196 1.368 265 HA LEU 35 HA LEU 35 -1.519 5.384 1.602 266 HB2 LEU 35 HB2 LEU 35 -3.055 7.455 3.180 267 HB3 LEU 35 HB1 LEU 35 -1.305 7.284 3.227 268 HG LEU 35 HG LEU 35 -2.795 7.679 0.625 269 HD11 LEU 35 HD11 LEU 35 -1.614 9.806 2.424 270 HD12 LEU 35 HD12 LEU 35 -3.335 9.547 2.135 271 HD13 LEU 35 HD13 LEU 35 -2.288 10.073 0.816 272 HD21 LEU 35 HD21 LEU 35 -0.497 8.704 0.051 273 HD22 LEU 35 HD22 LEU 35 -0.557 6.955 0.227 274 HD23 LEU 35 HD23 LEU 35 0.083 7.949 1.533 275 H PHE 36 HN PHE 36 -3.861 5.680 4.300 276 HA PHE 36 HA PHE 36 -2.056 4.006 5.967 277 HB2 PHE 36 HB2 PHE 36 -4.626 5.190 6.971 278 HB3 PHE 36 HB1 PHE 36 -3.092 4.971 7.807 279 HD1 PHE 36 HD2 PHE 36 -1.219 6.140 5.749 280 HD2 PHE 36 HD1 PHE 36 -5.010 7.517 7.231 281 HE1 PHE 36 HE2 PHE 36 -0.597 8.464 5.175 282 HE2 PHE 36 HE1 PHE 36 -4.380 9.844 6.657 283 HZ PHE 36 HZ PHE 36 -2.176 10.317 5.626 284 H ALA 37 HN ALA 37 -4.601 3.382 3.910 285 HA ALA 37 HA ALA 37 -6.239 1.618 5.436 286 HB1 ALA 37 HB1 ALA 37 -6.540 0.473 3.094 287 HB2 ALA 37 HB2 ALA 37 -5.574 1.826 2.509 288 HB3 ALA 37 HB3 ALA 37 -7.111 2.125 3.319 289 H ASN 38 HN ASN 38 -6.214 -0.770 5.380 290 HA ASN 38 HA ASN 38 -3.493 -1.802 5.810 291 HB2 ASN 38 HB2 ASN 38 -6.261 -2.967 6.174 292 HB3 ASN 38 HB1 ASN 38 -4.789 -3.895 6.432 293 HD21 ASN 38 HD21 ASN 38 -7.033 -2.287 8.180 294 HD22 ASN 38 HD22 ASN 38 -6.071 -1.692 9.446 295 H THR 39 HN THR 39 -2.686 -3.704 4.685 296 HA THR 39 HA THR 39 -3.621 -3.818 1.868 297 HB THR 39 HB THR 39 -1.256 -5.301 3.033 298 HG1 THR 39 HG1 THR 39 -0.062 -3.495 2.784 299 HG21 THR 39 HG21 THR 39 -0.413 -5.048 0.729 300 HG22 THR 39 HG22 THR 39 -1.871 -4.157 0.291 301 HG23 THR 39 HG23 THR 39 -1.980 -5.858 0.741 302 H CYS 40 HN CYS 40 -4.643 -5.587 1.009 303 HA CYS 40 HA CYS 40 -5.398 -7.779 2.851 304 HB2 CYS 40 HB2 CYS 40 -7.212 -7.024 1.513 305 HB3 CYS 40 HB1 CYS 40 -6.235 -6.988 0.051 306 H GLU 41 HN GLU 41 -3.703 -9.114 3.106 307 HA GLU 41 HA GLU 41 -1.591 -9.725 1.451 308 HB2 GLU 41 HB2 GLU 41 -3.100 -11.743 3.129 309 HB3 GLU 41 HB1 GLU 41 -1.413 -11.843 2.633 310 HG2 GLU 41 HG2 GLU 41 -0.886 -9.816 3.906 311 HG3 GLU 41 HG1 GLU 41 -2.578 -9.627 4.352 312 H GLU 42 HN GLU 42 -4.906 -10.574 0.895 313 HA GLU 42 HA GLU 42 -4.216 -12.711 -1.029 314 HB2 GLU 42 HB2 GLU 42 -6.354 -12.575 0.490 315 HB3 GLU 42 HB1 GLU 42 -6.967 -11.497 -0.761 316 HG2 GLU 42 HG2 GLU 42 -5.940 -14.311 -1.225 317 HG3 GLU 42 HG1 GLU 42 -7.638 -13.835 -1.181 318 H CYS 43 HN CYS 43 -6.056 -9.636 -1.285 319 HA CYS 43 HA CYS 43 -5.718 -9.550 -4.171 320 HB2 CYS 43 HB2 CYS 43 -6.560 -7.355 -2.256 321 HB3 CYS 43 HB1 CYS 43 -6.782 -7.345 -4.005 322 H GLY 44 HN GLY 44 -4.259 -7.837 -1.417 323 HA2 GLY 44 HA2 GLY 44 -1.970 -7.089 -1.354 324 HA3 GLY 44 HA1 GLY 44 -1.906 -7.194 -3.116 325 H LYS 45 HN LYS 45 -4.780 -5.821 -2.682 326 HA LYS 45 HA LYS 45 -3.694 -3.094 -3.051 327 HB2 LYS 45 HB2 LYS 45 -5.839 -2.551 -3.997 328 HB3 LYS 45 HB1 LYS 45 -5.418 -4.146 -4.610 329 HG2 LYS 45 HG2 LYS 45 -6.740 -5.056 -2.576 330 HG3 LYS 45 HG1 LYS 45 -7.406 -3.430 -2.455 331 HD2 LYS 45 HD2 LYS 45 -7.570 -5.271 -4.859 332 HD3 LYS 45 HD1 LYS 45 -8.903 -4.794 -3.807 333 HE2 LYS 45 HE2 LYS 45 -9.108 -3.357 -5.674 334 HE3 LYS 45 HE1 LYS 45 -8.299 -2.365 -4.461 335 HZ1 LYS 45 HZ1 LYS 45 -6.460 -2.254 -5.688 336 HZ2 LYS 45 HZ2 LYS 45 -7.406 -2.824 -6.980 337 HZ3 LYS 45 HZ3 LYS 45 -6.482 -3.910 -6.056 338 HA PRO 46 HA PRO 46 -4.678 -1.804 1.080 339 HB2 PRO 46 HB2 PRO 46 -5.985 0.670 0.269 340 HB3 PRO 46 HB1 PRO 46 -4.383 0.465 0.989 341 HG2 PRO 46 HG2 PRO 46 -5.024 1.090 -1.759 342 HG3 PRO 46 HG1 PRO 46 -3.418 0.894 -1.041 343 HD2 PRO 46 HD2 PRO 46 -4.737 -0.891 -2.853 344 HD3 PRO 46 HD1 PRO 46 -3.177 -1.140 -2.048 345 H ILE 47 HN ILE 47 -6.465 -1.972 2.474 346 HA ILE 47 HA ILE 47 -9.081 -2.605 1.189 347 HB ILE 47 HB ILE 47 -8.234 -3.005 4.077 348 HG12 ILE 47 HG12 ILE 47 -8.116 -4.903 1.710 349 HG13 ILE 47 HG11 ILE 47 -6.737 -4.261 2.594 350 HG21 ILE 47 HG21 ILE 47 -10.682 -2.982 3.604 351 HG22 ILE 47 HG22 ILE 47 -10.125 -4.573 4.116 352 HG23 ILE 47 HG23 ILE 47 -10.444 -4.258 2.417 353 HD11 ILE 47 HD11 ILE 47 -6.903 -6.221 3.753 354 HD12 ILE 47 HD12 ILE 47 -8.598 -6.445 3.329 355 HD13 ILE 47 HD13 ILE 47 -8.157 -5.364 4.649 356 H GLY 48 HN GLY 48 -10.192 -0.704 0.924 357 HA2 GLY 48 HA2 GLY 48 -9.945 1.510 2.789 358 HA3 GLY 48 HA1 GLY 48 -11.076 1.423 1.440 359 H CYS 49 HN CYS 49 -12.079 2.486 3.674 360 HA CYS 49 HA CYS 49 -13.238 0.523 5.477 361 HB2 CYS 49 HB2 CYS 49 -14.389 2.381 6.459 362 HB3 CYS 49 HB1 CYS 49 -12.792 2.971 6.004 363 HG CYS 49 HG CYS 49 -14.879 3.428 3.817 364 H ASP 50 HN ASP 50 -14.009 1.636 2.338 365 HA ASP 50 HA ASP 50 -16.880 1.290 2.460 366 HB2 ASP 50 HB2 ASP 50 -15.620 2.607 0.700 367 HB3 ASP 50 HB1 ASP 50 -15.115 1.064 0.009 368 H CYS 51 HN CYS 51 -14.936 -0.963 3.338 369 HA CYS 51 HA CYS 51 -16.552 -3.137 2.178 370 HB2 CYS 51 HB2 CYS 51 -13.546 -2.991 1.799 371 HB3 CYS 51 HB1 CYS 51 -14.521 -4.427 1.492 372 HG CYS 51 HG CYS 51 -15.001 -1.763 -0.084 373 H LYS 52 HN LYS 52 -16.529 -5.001 3.511 374 HA LYS 52 HA LYS 52 -15.888 -4.574 6.271 375 HB2 LYS 52 HB2 LYS 52 -17.632 -6.177 5.335 376 HB3 LYS 52 HB1 LYS 52 -16.300 -7.248 4.910 377 HG2 LYS 52 HG2 LYS 52 -16.891 -8.069 7.013 378 HG3 LYS 52 HG1 LYS 52 -15.601 -6.946 7.433 379 HD2 LYS 52 HD2 LYS 52 -17.215 -5.239 8.055 380 HD3 LYS 52 HD1 LYS 52 -18.551 -6.227 7.464 381 HE2 LYS 52 HE2 LYS 52 -18.367 -6.394 9.912 382 HE3 LYS 52 HE1 LYS 52 -18.023 -7.948 9.153 383 HZ1 LYS 52 HZ1 LYS 52 -15.609 -6.665 9.240 384 HZ2 LYS 52 HZ2 LYS 52 -16.123 -7.914 10.272 385 HZ3 LYS 52 HZ3 LYS 52 -16.322 -6.291 10.733 386 H ASP 53 HN ASP 53 -13.684 -4.127 6.566 387 HA ASP 53 HA ASP 53 -11.638 -5.827 5.354 388 HB2 ASP 53 HB2 ASP 53 -11.234 -3.422 5.808 389 HB3 ASP 53 HB1 ASP 53 -11.398 -3.728 7.523 390 H LEU 54 HN LEU 54 -11.748 -7.905 6.109 391 HA LEU 54 HA LEU 54 -12.394 -8.641 8.779 392 HB2 LEU 54 HB2 LEU 54 -12.113 -9.989 6.446 393 HB3 LEU 54 HB1 LEU 54 -10.571 -10.394 7.163 394 HG LEU 54 HG LEU 54 -13.290 -11.398 7.801 395 HD11 LEU 54 HD11 LEU 54 -11.921 -13.304 8.706 396 HD12 LEU 54 HD12 LEU 54 -10.476 -12.401 8.262 397 HD13 LEU 54 HD13 LEU 54 -11.620 -12.906 7.019 398 HD21 LEU 54 HD21 LEU 54 -12.490 -11.874 10.265 399 HD22 LEU 54 HD22 LEU 54 -13.285 -10.353 9.901 400 HD23 LEU 54 HD23 LEU 54 -11.531 -10.421 10.043 401 H SER 55 HN SER 55 -11.131 -8.514 10.604 402 HA SER 55 HA SER 55 -8.176 -8.073 10.264 403 HB2 SER 55 HB2 SER 55 -8.308 -6.990 12.506 404 HB3 SER 55 HB1 SER 55 -9.300 -6.168 11.306 405 HG SER 55 HG SER 55 -10.357 -6.590 13.350 406 H TYR 56 HN TYR 56 -6.941 -9.774 10.928 407 HA TYR 56 HA TYR 56 -7.848 -11.404 13.245 408 HB2 TYR 56 HB2 TYR 56 -8.551 -12.361 10.881 409 HB3 TYR 56 HB1 TYR 56 -6.856 -12.831 10.778 410 HD1 TYR 56 HD1 TYR 56 -5.879 -14.095 12.819 411 HD2 TYR 56 HD2 TYR 56 -10.075 -13.745 12.034 412 HE1 TYR 56 HE1 TYR 56 -6.306 -16.057 14.275 413 HE2 TYR 56 HE2 TYR 56 -10.510 -15.708 13.485 414 HH TYR 56 HH TYR 56 -9.408 -16.882 15.367 415 H LYS 57 HN LYS 57 -6.122 -11.905 14.545 416 HA LYS 57 HA LYS 57 -3.921 -11.731 15.352 417 HB2 LYS 57 HB2 LYS 57 -3.955 -13.881 14.032 418 HB3 LYS 57 HB1 LYS 57 -3.260 -12.987 12.681 419 HG2 LYS 57 HG2 LYS 57 -1.368 -12.312 14.203 420 HG3 LYS 57 HG1 LYS 57 -2.049 -13.374 15.433 421 HD2 LYS 57 HD2 LYS 57 -1.835 -15.294 13.895 422 HD3 LYS 57 HD1 LYS 57 -1.143 -14.231 12.669 423 HE2 LYS 57 HE2 LYS 57 0.054 -14.530 15.431 424 HE3 LYS 57 HE1 LYS 57 0.544 -15.534 14.066 425 HZ1 LYS 57 HZ1 LYS 57 1.994 -13.639 14.259 426 HZ2 LYS 57 HZ2 LYS 57 0.675 -12.570 14.206 427 HZ3 LYS 57 HZ3 LYS 57 1.075 -13.499 12.840 428 H ASP 58 HN ASP 58 -4.370 -9.293 14.764 429 HA ASP 58 HA ASP 58 -3.544 -7.258 13.950 430 HB2 ASP 58 HB2 ASP 58 -1.646 -8.145 15.324 431 HB3 ASP 58 HB1 ASP 58 -0.948 -8.808 13.846 432 H ARG 59 HN ARG 59 -4.069 -9.636 11.855 433 HA ARG 59 HA ARG 59 -2.674 -8.290 9.561 434 HB2 ARG 59 HB2 ARG 59 -3.803 -11.091 9.822 435 HB3 ARG 59 HB1 ARG 59 -3.232 -10.397 8.308 436 HG2 ARG 59 HG2 ARG 59 -1.010 -10.210 9.102 437 HG3 ARG 59 HG1 ARG 59 -1.491 -10.464 10.772 438 HD2 ARG 59 HD2 ARG 59 -2.206 -12.771 10.190 439 HD3 ARG 59 HD1 ARG 59 -1.620 -12.511 8.549 440 HE ARG 59 HE ARG 59 0.578 -11.921 10.121 441 HH11 ARG 59 HH21 ARG 59 -1.647 -14.537 9.828 442 HH12 ARG 59 HH22 ARG 59 -0.496 -15.745 10.292 443 HH21 ARG 59 HH11 ARG 59 2.096 -13.483 10.730 444 HH22 ARG 59 HH12 ARG 59 1.624 -15.147 10.803 445 H HIS 60 HN HIS 60 -4.056 -8.264 7.522 446 HA HIS 60 HA HIS 60 -6.947 -7.797 8.215 447 HB2 HIS 60 HB2 HIS 60 -5.123 -6.189 6.417 448 HB3 HIS 60 HB1 HIS 60 -6.873 -5.988 6.474 449 HD2 HIS 60 HD2 HIS 60 -7.860 -4.742 8.832 450 HE1 HIS 60 HE1 HIS 60 -4.078 -3.945 10.529 451 HE2 HIS 60 HE2 HIS 60 -6.570 -3.502 10.733 452 H TRP 61 HN TRP 61 -8.457 -8.288 6.581 453 HA TRP 61 HA TRP 61 -7.580 -9.430 4.026 454 HB2 TRP 61 HB2 TRP 61 -8.407 -11.114 6.366 455 HB3 TRP 61 HB1 TRP 61 -9.070 -11.578 4.805 456 HD1 TRP 61 HD1 TRP 61 -6.967 -11.538 2.790 457 HE1 TRP 61 HE1 TRP 61 -4.719 -12.784 2.989 458 HE3 TRP 61 HE3 TRP 61 -6.704 -12.082 7.864 459 HZ2 TRP 61 HZ2 TRP 61 -3.030 -13.865 5.029 460 HZ3 TRP 61 HZ3 TRP 61 -4.764 -13.219 8.906 461 HH2 TRP 61 HH2 TRP 61 -2.931 -14.114 7.495 462 H HIS 62 HN HIS 62 -9.379 -9.583 2.557 463 HA HIS 62 HA HIS 62 -11.711 -7.984 3.311 464 HB2 HIS 62 HB2 HIS 62 -11.049 -9.652 0.868 465 HB3 HIS 62 HB1 HIS 62 -12.597 -8.856 1.057 466 HD2 HIS 62 HD2 HIS 62 -12.139 -5.896 1.600 467 HE1 HIS 62 HE1 HIS 62 -8.778 -5.901 -0.953 468 HE2 HIS 62 HE2 HIS 62 -10.469 -4.428 0.235 469 H GLU 63 HN GLU 63 -13.535 -8.884 4.298 470 HA GLU 63 HA GLU 63 -13.690 -11.371 5.461 471 HB2 GLU 63 HB2 GLU 63 -15.393 -9.351 5.414 472 HB3 GLU 63 HB1 GLU 63 -16.193 -10.300 4.164 473 HG2 GLU 63 HG2 GLU 63 -16.066 -12.268 5.824 474 HG3 GLU 63 HG1 GLU 63 -15.674 -11.056 7.045 475 H ALA 64 HN ALA 64 -14.097 -10.702 2.046 476 HA ALA 64 HA ALA 64 -15.144 -13.418 1.500 477 HB1 ALA 64 HB1 ALA 64 -14.405 -11.197 -0.425 478 HB2 ALA 64 HB2 ALA 64 -16.013 -11.454 0.251 479 HB3 ALA 64 HB3 ALA 64 -15.302 -12.664 -0.816 480 H CYS 65 HN CYS 65 -12.061 -11.779 1.504 481 HA CYS 65 HA CYS 65 -10.794 -13.634 -0.379 482 HB2 CYS 65 HB2 CYS 65 -9.771 -11.477 1.452 483 HB3 CYS 65 HB1 CYS 65 -8.664 -12.550 0.601 484 H PHE 66 HN PHE 66 -11.201 -13.456 3.095 485 HA PHE 66 HA PHE 66 -9.172 -15.428 3.696 486 HB2 PHE 66 HB2 PHE 66 -10.436 -13.639 5.195 487 HB3 PHE 66 HB1 PHE 66 -11.558 -14.965 5.469 488 HD1 PHE 66 HD2 PHE 66 -10.178 -17.330 5.815 489 HD2 PHE 66 HD1 PHE 66 -8.807 -13.402 6.838 490 HE1 PHE 66 HE2 PHE 66 -8.622 -18.313 7.461 491 HE2 PHE 66 HE1 PHE 66 -7.235 -14.382 8.490 492 HZ PHE 66 HZ PHE 66 -7.143 -16.840 8.795 493 H HIS 67 HN HIS 67 -9.440 -17.395 2.643 494 HA HIS 67 HA HIS 67 -11.806 -18.975 3.389 495 HB2 HIS 67 HB2 HIS 67 -12.160 -19.628 0.946 496 HB3 HIS 67 HB1 HIS 67 -12.669 -17.998 1.384 497 HD2 HIS 67 HD2 HIS 67 -9.616 -19.708 -0.485 498 HE1 HIS 67 HE1 HIS 67 -9.724 -15.613 -1.506 499 HE2 HIS 67 HE2 HIS 67 -8.570 -17.828 -1.964 500 H CYS 68 HN CYS 68 -11.597 -21.279 2.346 501 HA CYS 68 HA CYS 68 -8.884 -22.235 2.960 502 HB2 CYS 68 HB2 CYS 68 -10.641 -23.645 3.782 503 HB3 CYS 68 HB1 CYS 68 -11.480 -23.619 2.240 504 H SER 69 HN SER 69 -7.471 -23.164 1.419 505 HA SER 69 HA SER 69 -7.763 -22.185 -1.286 506 HB2 SER 69 HB2 SER 69 -5.591 -22.639 0.031 507 HB3 SER 69 HB1 SER 69 -5.817 -24.324 -0.420 508 HG SER 69 HG SER 69 -5.898 -23.603 -2.613 509 H GLN 70 HN GLN 70 -8.631 -25.178 0.297 510 HA GLN 70 HA GLN 70 -9.004 -26.556 -2.321 511 HB2 GLN 70 HB2 GLN 70 -9.455 -27.669 0.457 512 HB3 GLN 70 HB1 GLN 70 -9.285 -28.577 -1.045 513 HG2 GLN 70 HG2 GLN 70 -7.082 -26.768 -0.063 514 HG3 GLN 70 HG1 GLN 70 -7.214 -28.423 0.510 515 HE21 GLN 70 HE21 GLN 70 -5.658 -26.602 -1.755 516 HE22 GLN 70 HE22 GLN 70 -5.434 -27.769 -2.960 517 H CYS 71 HN CYS 71 -10.886 -25.813 0.618 518 HA CYS 71 HA CYS 71 -13.388 -26.559 -0.782 519 HB2 CYS 71 HB2 CYS 71 -13.244 -25.354 1.980 520 HB3 CYS 71 HB1 CYS 71 -14.437 -26.471 1.318 521 H ARG 72 HN ARG 72 -11.532 -23.786 -0.595 522 HA ARG 72 HA ARG 72 -12.005 -21.512 -0.872 523 HB2 ARG 72 HB2 ARG 72 -14.134 -22.852 -2.553 524 HB3 ARG 72 HB1 ARG 72 -13.809 -21.123 -2.586 525 HG2 ARG 72 HG2 ARG 72 -11.472 -21.556 -3.223 526 HG3 ARG 72 HG1 ARG 72 -11.785 -23.290 -3.196 527 HD2 ARG 72 HD2 ARG 72 -13.795 -22.380 -4.872 528 HD3 ARG 72 HD1 ARG 72 -12.469 -21.295 -5.278 529 HE ARG 72 HE ARG 72 -12.696 -23.935 -6.199 530 HH11 ARG 72 HH21 ARG 72 -10.389 -22.060 -4.437 531 HH12 ARG 72 HH22 ARG 72 -9.055 -23.071 -4.866 532 HH21 ARG 72 HH11 ARG 72 -10.963 -25.239 -6.774 533 HH22 ARG 72 HH12 ARG 72 -9.376 -24.862 -6.192 534 H ASN 73 HN ASN 73 -13.542 -23.138 1.272 535 HA ASN 73 HA ASN 73 -16.062 -21.747 1.612 536 HB2 ASN 73 HB2 ASN 73 -14.266 -23.414 3.364 537 HB3 ASN 73 HB1 ASN 73 -15.582 -22.502 4.106 538 HD21 ASN 73 HD21 ASN 73 -17.579 -23.515 4.128 539 HD22 ASN 73 HD22 ASN 73 -18.027 -24.807 3.126 540 H SER 74 HN SER 74 -16.422 -19.973 3.120 541 HA SER 74 HA SER 74 -14.088 -18.158 3.247 542 HB2 SER 74 HB2 SER 74 -17.003 -17.804 4.000 543 HB3 SER 74 HB1 SER 74 -15.786 -16.545 4.186 544 HG SER 74 HG SER 74 -17.129 -16.788 2.116 545 H LEU 75 HN LEU 75 -12.717 -18.922 4.907 546 HA LEU 75 HA LEU 75 -13.852 -19.716 7.491 547 HB2 LEU 75 HB2 LEU 75 -10.941 -19.113 7.038 548 HB3 LEU 75 HB1 LEU 75 -11.662 -20.259 8.149 549 HG LEU 75 HG LEU 75 -12.009 -20.633 5.166 550 HD11 LEU 75 HD11 LEU 75 -9.991 -21.856 4.996 551 HD12 LEU 75 HD12 LEU 75 -9.708 -21.789 6.728 552 HD13 LEU 75 HD13 LEU 75 -9.546 -20.334 5.747 553 HD21 LEU 75 HD21 LEU 75 -12.179 -22.980 5.849 554 HD22 LEU 75 HD22 LEU 75 -13.322 -21.990 6.759 555 HD23 LEU 75 HD23 LEU 75 -11.823 -22.529 7.516 556 H VAL 76 HN VAL 76 -14.555 -18.141 8.836 557 HA VAL 76 HA VAL 76 -12.827 -15.764 9.274 558 HB VAL 76 HB VAL 76 -15.803 -15.699 8.665 559 HG11 VAL 76 HG11 VAL 76 -13.962 -13.644 9.889 560 HG12 VAL 76 HG12 VAL 76 -15.510 -14.221 10.505 561 HG13 VAL 76 HG13 VAL 76 -15.458 -13.194 9.071 562 HG21 VAL 76 HG21 VAL 76 -14.553 -15.617 6.636 563 HG22 VAL 76 HG22 VAL 76 -13.320 -14.577 7.344 564 HG23 VAL 76 HG23 VAL 76 -14.925 -13.935 7.006 565 H ASP 77 HN ASP 77 -12.563 -15.498 11.464 566 HA ASP 77 HA ASP 77 -12.808 -15.993 13.751 567 HB2 ASP 77 HB2 ASP 77 -14.756 -14.544 13.569 568 HB3 ASP 77 HB1 ASP 77 -15.723 -15.859 12.907 569 H LYS 78 HN LYS 78 -13.028 -18.146 11.470 570 HA LYS 78 HA LYS 78 -14.042 -20.388 13.179 571 HB2 LYS 78 HB2 LYS 78 -14.059 -19.836 10.230 572 HB3 LYS 78 HB1 LYS 78 -13.882 -21.517 10.723 573 HG2 LYS 78 HG2 LYS 78 -15.949 -21.412 12.004 574 HG3 LYS 78 HG1 LYS 78 -16.088 -19.681 11.704 575 HD2 LYS 78 HD2 LYS 78 -17.560 -20.795 10.152 576 HD3 LYS 78 HD1 LYS 78 -16.181 -20.193 9.234 577 HE2 LYS 78 HE2 LYS 78 -15.238 -22.342 9.007 578 HE3 LYS 78 HE1 LYS 78 -16.189 -23.004 10.337 579 HZ1 LYS 78 HZ1 LYS 78 -16.825 -23.313 7.775 580 HZ2 LYS 78 HZ2 LYS 78 -17.707 -21.903 8.125 581 HZ3 LYS 78 HZ3 LYS 78 -17.968 -23.318 9.029 582 HA PRO 79 HA PRO 79 -9.875 -21.832 13.476 583 HB2 PRO 79 HB2 PRO 79 -10.310 -24.606 12.940 584 HB3 PRO 79 HB1 PRO 79 -10.268 -23.826 14.526 585 HG2 PRO 79 HG2 PRO 79 -12.601 -24.803 13.024 586 HG3 PRO 79 HG1 PRO 79 -12.502 -24.321 14.724 587 HD2 PRO 79 HD2 PRO 79 -13.740 -22.839 12.639 588 HD3 PRO 79 HD1 PRO 79 -13.357 -22.248 14.268 589 H PHE 80 HN PHE 80 -8.171 -21.924 12.024 590 HA PHE 80 HA PHE 80 -8.490 -23.265 9.414 591 HB2 PHE 80 HB2 PHE 80 -7.732 -21.273 8.135 592 HB3 PHE 80 HB1 PHE 80 -9.311 -21.012 8.888 593 HD1 PHE 80 HD1 PHE 80 -5.637 -20.376 9.312 594 HD2 PHE 80 HD2 PHE 80 -9.620 -19.241 10.428 595 HE1 PHE 80 HE1 PHE 80 -4.744 -18.418 10.539 596 HE2 PHE 80 HE2 PHE 80 -8.727 -17.284 11.654 597 HZ PHE 80 HZ PHE 80 -6.282 -16.872 11.706 598 H ALA 81 HN ALA 81 -6.460 -23.713 8.429 599 HA ALA 81 HA ALA 81 -4.148 -23.489 10.294 600 HB1 ALA 81 HB1 ALA 81 -3.183 -25.288 9.130 601 HB2 ALA 81 HB2 ALA 81 -4.107 -24.965 7.663 602 HB3 ALA 81 HB3 ALA 81 -4.901 -25.679 9.067 603 H ALA 82 HN ALA 82 -2.901 -21.717 9.975 604 HA ALA 82 HA ALA 82 -3.021 -20.221 7.470 605 HB1 ALA 82 HB1 ALA 82 -1.527 -19.876 10.069 606 HB2 ALA 82 HB2 ALA 82 -2.785 -18.854 9.379 607 HB3 ALA 82 HB3 ALA 82 -1.172 -18.855 8.675 608 H LYS 83 HN LYS 83 -1.996 -21.129 5.764 609 HA LYS 83 HA LYS 83 0.607 -22.497 6.130 610 HB2 LYS 83 HB2 LYS 83 -0.936 -23.640 4.671 611 HB3 LYS 83 HB1 LYS 83 -1.234 -22.175 3.746 612 HG2 LYS 83 HG2 LYS 83 0.879 -22.219 2.725 613 HG3 LYS 83 HG1 LYS 83 1.556 -23.285 3.958 614 HD2 LYS 83 HD2 LYS 83 0.168 -25.137 3.158 615 HD3 LYS 83 HD1 LYS 83 -0.589 -24.080 1.967 616 HE2 LYS 83 HE2 LYS 83 1.155 -25.365 0.863 617 HE3 LYS 83 HE1 LYS 83 1.671 -23.682 0.961 618 HZ1 LYS 83 HZ1 LYS 83 2.393 -25.598 3.081 619 HZ2 LYS 83 HZ2 LYS 83 3.157 -24.144 2.649 620 HZ3 LYS 83 HZ3 LYS 83 3.307 -25.513 1.655 621 H GLU 84 HN GLU 84 2.404 -21.830 4.663 622 HA GLU 84 HA GLU 84 3.377 -19.335 5.040 623 HB2 GLU 84 HB2 GLU 84 3.619 -21.067 2.580 624 HB3 GLU 84 HB1 GLU 84 4.541 -19.577 2.766 625 HG2 GLU 84 HG2 GLU 84 4.545 -21.770 4.850 626 HG3 GLU 84 HG1 GLU 84 5.725 -21.695 3.540 627 H ASP 85 HN ASP 85 1.547 -20.050 2.005 628 HA ASP 85 HA ASP 85 0.797 -17.137 1.939 629 HB2 ASP 85 HB2 ASP 85 1.799 -19.009 -0.188 630 HB3 ASP 85 HB1 ASP 85 0.701 -17.715 -0.649 631 H GLN 86 HN GLN 86 -0.467 -20.147 2.468 632 HA GLN 86 HA GLN 86 -3.098 -19.381 1.221 633 HB2 GLN 86 HB2 GLN 86 -2.128 -22.214 1.612 634 HB3 GLN 86 HB1 GLN 86 -3.526 -21.665 0.694 635 HG2 GLN 86 HG2 GLN 86 -0.693 -20.861 -0.011 636 HG3 GLN 86 HG1 GLN 86 -1.486 -22.281 -0.673 637 HE21 GLN 86 HE21 GLN 86 -0.928 -20.629 -2.663 638 HE22 GLN 86 HE22 GLN 86 -2.246 -19.667 -3.130 639 H LEU 87 HN LEU 87 -4.926 -20.601 2.221 640 HA LEU 87 HA LEU 87 -4.577 -21.064 5.145 641 HB2 LEU 87 HB2 LEU 87 -6.650 -19.388 3.707 642 HB3 LEU 87 HB1 LEU 87 -7.023 -20.134 5.259 643 HG LEU 87 HG LEU 87 -4.471 -18.562 4.984 644 HD11 LEU 87 HD11 LEU 87 -5.909 -16.586 5.900 645 HD12 LEU 87 HD12 LEU 87 -7.259 -17.438 5.151 646 HD13 LEU 87 HD13 LEU 87 -5.904 -16.897 4.164 647 HD21 LEU 87 HD21 LEU 87 -6.328 -18.592 7.344 648 HD22 LEU 87 HD22 LEU 87 -4.577 -18.420 7.304 649 HD23 LEU 87 HD23 LEU 87 -5.313 -19.994 7.028 650 H LEU 88 HN LEU 88 -5.567 -22.943 5.807 651 HA LEU 88 HA LEU 88 -7.384 -24.344 3.870 652 HB2 LEU 88 HB2 LEU 88 -4.944 -25.414 5.311 653 HB3 LEU 88 HB1 LEU 88 -6.152 -26.459 4.572 654 HG LEU 88 HG LEU 88 -4.979 -24.257 2.888 655 HD11 LEU 88 HD11 LEU 88 -2.962 -25.173 3.817 656 HD12 LEU 88 HD12 LEU 88 -3.149 -25.840 2.195 657 HD13 LEU 88 HD13 LEU 88 -3.550 -26.823 3.604 658 HD21 LEU 88 HD21 LEU 88 -6.759 -25.651 1.968 659 HD22 LEU 88 HD22 LEU 88 -5.843 -27.110 2.348 660 HD23 LEU 88 HD23 LEU 88 -5.244 -25.986 1.129 661 H CYS 89 HN CYS 89 -8.564 -26.171 4.999 662 HA CYS 89 HA CYS 89 -9.513 -25.219 7.620 663 HB2 CYS 89 HB2 CYS 89 -10.375 -27.754 6.206 664 HB3 CYS 89 HB1 CYS 89 -11.275 -26.806 7.384 665 H THR 90 HN THR 90 -9.019 -26.262 9.567 666 HA THR 90 HA THR 90 -6.664 -27.726 9.872 667 HB THR 90 HB THR 90 -7.592 -27.023 11.902 668 HG1 THR 90 HG1 THR 90 -8.376 -29.739 11.675 669 HG21 THR 90 HG21 THR 90 -10.177 -28.175 10.846 670 HG22 THR 90 HG22 THR 90 -9.812 -26.490 11.217 671 HG23 THR 90 HG23 THR 90 -9.985 -27.663 12.523 672 H ASP 91 HN ASP 91 -9.585 -28.750 8.455 673 HA ASP 91 HA ASP 91 -9.113 -31.630 8.854 674 HB2 ASP 91 HB2 ASP 91 -11.110 -30.050 7.232 675 HB3 ASP 91 HB1 ASP 91 -11.023 -31.809 7.175 676 H CYS 92 HN CYS 92 -8.906 -29.249 6.204 677 HA CYS 92 HA CYS 92 -7.791 -31.211 4.349 678 HB2 CYS 92 HB2 CYS 92 -7.542 -28.226 3.984 679 HB3 CYS 92 HB1 CYS 92 -7.768 -29.475 2.762 680 H TYR 93 HN TYR 93 -6.560 -28.660 6.458 681 HA TYR 93 HA TYR 93 -3.864 -28.674 5.555 682 HB2 TYR 93 HB2 TYR 93 -4.956 -27.056 7.181 683 HB3 TYR 93 HB1 TYR 93 -4.751 -28.289 8.419 684 HD1 TYR 93 HD2 TYR 93 -2.810 -26.433 5.796 685 HD2 TYR 93 HD1 TYR 93 -2.727 -28.446 9.591 686 HE1 TYR 93 HE2 TYR 93 -0.441 -25.771 6.097 687 HE2 TYR 93 HE1 TYR 93 -0.359 -27.789 9.890 688 HH TYR 93 HH TYR 93 1.094 -25.436 8.416 689 H SER 94 HN SER 94 -5.397 -30.490 8.204 690 HA SER 94 HA SER 94 -3.031 -31.981 8.877 691 HB2 SER 94 HB2 SER 94 -4.585 -33.456 10.118 692 HB3 SER 94 HB1 SER 94 -4.921 -31.756 10.432 693 HG SER 94 HG SER 94 -6.731 -31.888 9.286 694 H ASN 95 HN ASN 95 -5.338 -32.304 6.317 695 HA ASN 95 HA ASN 95 -4.936 -35.143 5.845 696 HB2 ASN 95 HB2 ASN 95 -6.105 -32.883 4.217 697 HB3 ASN 95 HB1 ASN 95 -5.916 -34.498 3.538 698 HD21 ASN 95 HD21 ASN 95 -8.445 -32.982 4.305 699 HD22 ASN 95 HD22 ASN 95 -9.264 -34.021 5.368 700 H GLU 96 HN GLU 96 -3.194 -32.258 5.035 701 HA GLU 96 HA GLU 96 -1.396 -33.842 3.220 702 HB2 GLU 96 HB2 GLU 96 -0.827 -31.624 2.183 703 HB3 GLU 96 HB1 GLU 96 -2.497 -32.122 1.932 704 HG2 GLU 96 HG2 GLU 96 -2.753 -29.887 2.582 705 HG3 GLU 96 HG1 GLU 96 -2.979 -30.728 4.110 706 H TYR 97 HN TYR 97 -1.551 -31.364 5.757 707 HA TYR 97 HA TYR 97 1.181 -30.792 6.043 708 HB2 TYR 97 HB2 TYR 97 -0.355 -29.584 7.416 709 HB3 TYR 97 HB1 TYR 97 -1.032 -31.063 8.089 710 HD1 TYR 97 HD1 TYR 97 0.185 -32.371 9.766 711 HD2 TYR 97 HD2 TYR 97 1.764 -28.685 8.223 712 HE1 TYR 97 HE1 TYR 97 1.822 -32.291 11.629 713 HE2 TYR 97 HE2 TYR 97 3.401 -28.605 10.085 714 HH TYR 97 HH TYR 97 4.436 -30.003 11.682 715 H SER 98 HN SER 98 -0.655 -33.594 7.189 716 HA SER 98 HA SER 98 0.062 -35.568 8.247 717 HB2 SER 98 HB2 SER 98 2.009 -35.038 6.017 718 HB3 SER 98 HB1 SER 98 2.173 -36.475 7.022 719 HG SER 98 HG SER 98 0.656 -36.251 4.967 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -12.618 32.277 -0.426 2 H2 MET 1 HT2 MET 1 -11.382 31.639 0.549 3 H3 MET 1 HT3 MET 1 -12.984 31.111 0.750 4 HA MET 1 HA MET 1 -11.928 29.398 -0.431 5 HB2 MET 1 HB2 MET 1 -13.502 31.261 -2.220 6 HB3 MET 1 HB1 MET 1 -12.971 29.666 -2.754 7 HG2 MET 1 HG2 MET 1 -14.185 28.602 -0.929 8 HG3 MET 1 HG1 MET 1 -14.634 30.175 -0.271 9 HE1 MET 1 HE1 MET 1 -16.316 27.944 -3.869 10 HE2 MET 1 HE2 MET 1 -15.597 27.287 -2.402 11 HE3 MET 1 HE3 MET 1 -14.583 28.130 -3.570 12 H THR 2 HN THR 2 -10.352 32.225 -0.608 13 HA THR 2 HA THR 2 -9.062 32.296 -3.120 14 HB THR 2 HB THR 2 -8.829 34.029 -1.332 15 HG1 THR 2 HG1 THR 2 -6.731 32.874 -2.723 16 HG21 THR 2 HG21 THR 2 -6.810 32.151 -0.104 17 HG22 THR 2 HG22 THR 2 -8.472 32.261 0.475 18 HG23 THR 2 HG23 THR 2 -7.416 33.672 0.550 19 H GLU 3 HN GLU 3 -8.298 30.402 -0.222 20 HA GLU 3 HA GLU 3 -5.848 29.279 -0.960 21 HB2 GLU 3 HB2 GLU 3 -6.395 27.434 0.490 22 HB3 GLU 3 HB1 GLU 3 -7.112 28.879 1.191 23 HG2 GLU 3 HG2 GLU 3 -9.247 28.226 -0.119 24 HG3 GLU 3 HG1 GLU 3 -8.486 26.647 -0.312 25 H ARG 4 HN ARG 4 -5.654 26.847 -1.591 26 HA ARG 4 HA ARG 4 -6.991 26.554 -4.221 27 HB2 ARG 4 HB2 ARG 4 -4.668 25.080 -2.949 28 HB3 ARG 4 HB1 ARG 4 -5.231 24.858 -4.600 29 HG2 ARG 4 HG2 ARG 4 -4.451 27.596 -3.575 30 HG3 ARG 4 HG1 ARG 4 -3.235 26.483 -4.194 31 HD2 ARG 4 HD2 ARG 4 -4.703 26.292 -6.301 32 HD3 ARG 4 HD1 ARG 4 -5.577 27.691 -5.677 33 HE ARG 4 HE ARG 4 -2.928 28.483 -5.592 34 HH11 ARG 4 HH21 ARG 4 -5.067 27.154 -7.948 35 HH12 ARG 4 HH22 ARG 4 -4.299 27.944 -9.284 36 HH21 ARG 4 HH11 ARG 4 -1.913 29.522 -7.324 37 HH22 ARG 4 HH12 ARG 4 -2.514 29.284 -8.931 38 H PHE 5 HN PHE 5 -8.207 24.710 -4.737 39 HA PHE 5 HA PHE 5 -8.951 22.952 -2.419 40 HB2 PHE 5 HB2 PHE 5 -10.649 24.605 -3.601 41 HB3 PHE 5 HB1 PHE 5 -10.719 23.347 -4.826 42 HD1 PHE 5 HD1 PHE 5 -11.015 23.942 -1.159 43 HD2 PHE 5 HD2 PHE 5 -12.057 21.429 -4.474 44 HE1 PHE 5 HE1 PHE 5 -12.542 22.659 0.301 45 HE2 PHE 5 HE2 PHE 5 -13.595 20.139 -3.010 46 HZ PHE 5 HZ PHE 5 -13.832 20.744 -0.625 47 H ASP 6 HN ASP 6 -6.864 21.903 -3.383 48 HA ASP 6 HA ASP 6 -7.762 19.774 -5.276 49 HB2 ASP 6 HB2 ASP 6 -4.976 20.924 -5.408 50 HB3 ASP 6 HB1 ASP 6 -5.808 19.917 -6.594 51 H CYS 7 HN CYS 7 -6.735 17.746 -4.941 52 HA CYS 7 HA CYS 7 -6.090 17.166 -2.232 53 HB2 CYS 7 HB2 CYS 7 -6.891 15.391 -3.576 54 HB3 CYS 7 HB1 CYS 7 -5.675 15.655 -4.805 55 H HIS 8 HN HIS 8 -4.360 18.250 -1.379 56 HA HIS 8 HA HIS 8 -2.072 19.214 -2.577 57 HB2 HIS 8 HB2 HIS 8 -2.739 19.477 -0.195 58 HB3 HIS 8 HB1 HIS 8 -2.137 17.873 0.129 59 HD2 HIS 8 HD2 HIS 8 -0.586 21.258 -1.295 60 HE1 HIS 8 HE1 HIS 8 2.440 19.051 0.652 61 HE2 HIS 8 HE2 HIS 8 1.917 21.224 -0.553 62 H HIS 9 HN HIS 9 -2.837 15.859 -2.061 63 HA HIS 9 HA HIS 9 -0.014 15.051 -2.450 64 HB2 HIS 9 HB2 HIS 9 -1.273 13.793 -0.815 65 HB3 HIS 9 HB1 HIS 9 -2.532 13.437 -1.987 66 HD2 HIS 9 HD2 HIS 9 -1.354 10.713 -1.042 67 HE1 HIS 9 HE1 HIS 9 1.454 10.889 -4.190 68 HE2 HIS 9 HE2 HIS 9 0.360 9.365 -2.480 69 H CYS 10 HN CYS 10 -3.070 13.995 -4.064 70 HA CYS 10 HA CYS 10 -1.573 13.294 -6.479 71 HB2 CYS 10 HB2 CYS 10 -4.570 13.553 -6.213 72 HB3 CYS 10 HB1 CYS 10 -3.679 12.576 -7.373 73 H ASN 11 HN ASN 11 -2.711 16.135 -5.200 74 HA ASN 11 HA ASN 11 -3.112 18.269 -6.027 75 HB2 ASN 11 HB2 ASN 11 -1.577 19.046 -7.624 76 HB3 ASN 11 HB1 ASN 11 -0.749 17.661 -6.920 77 HD21 ASN 11 HD21 ASN 11 -2.679 18.664 -9.769 78 HD22 ASN 11 HD22 ASN 11 -2.080 17.454 -10.797 79 H GLU 12 HN GLU 12 -4.924 15.991 -6.876 80 HA GLU 12 HA GLU 12 -5.975 17.098 -9.445 81 HB2 GLU 12 HB2 GLU 12 -7.298 15.094 -9.605 82 HB3 GLU 12 HB1 GLU 12 -5.672 14.594 -9.145 83 HG2 GLU 12 HG2 GLU 12 -6.484 14.680 -6.726 84 HG3 GLU 12 HG1 GLU 12 -8.110 14.818 -7.367 85 H SER 13 HN SER 13 -7.925 18.208 -9.480 86 HA SER 13 HA SER 13 -8.926 19.509 -7.220 87 HB2 SER 13 HB2 SER 13 -9.755 20.356 -9.232 88 HB3 SER 13 HB1 SER 13 -10.156 18.757 -9.851 89 HG SER 13 HG SER 13 -11.849 20.334 -8.871 90 H LEU 14 HN LEU 14 -10.286 18.907 -5.532 91 HA LEU 14 HA LEU 14 -10.774 16.154 -4.982 92 HB2 LEU 14 HB2 LEU 14 -12.163 18.643 -3.981 93 HB3 LEU 14 HB1 LEU 14 -12.529 17.048 -3.374 94 HG LEU 14 HG LEU 14 -10.950 18.202 -1.925 95 HD11 LEU 14 HD11 LEU 14 -9.615 16.370 -1.545 96 HD12 LEU 14 HD12 LEU 14 -9.265 16.123 -3.253 97 HD13 LEU 14 HD13 LEU 14 -10.828 15.638 -2.591 98 HD21 LEU 14 HD21 LEU 14 -8.937 18.108 -4.144 99 HD22 LEU 14 HD22 LEU 14 -8.869 19.003 -2.629 100 HD23 LEU 14 HD23 LEU 14 -9.971 19.518 -3.904 101 H PHE 15 HN PHE 15 -12.347 14.820 -5.682 102 HA PHE 15 HA PHE 15 -13.972 15.706 -7.912 103 HB2 PHE 15 HB2 PHE 15 -14.594 13.310 -8.035 104 HB3 PHE 15 HB1 PHE 15 -12.855 13.561 -7.972 105 HD1 PHE 15 HD2 PHE 15 -11.656 13.335 -5.669 106 HD2 PHE 15 HD1 PHE 15 -15.690 12.021 -6.399 107 HE1 PHE 15 HE2 PHE 15 -11.574 11.935 -3.634 108 HE2 PHE 15 HE1 PHE 15 -15.590 10.605 -4.366 109 HZ PHE 15 HZ PHE 15 -13.534 10.565 -2.984 110 H GLY 16 HN GLY 16 -15.708 16.979 -7.258 111 HA2 GLY 16 HA2 GLY 16 -17.829 17.442 -6.349 112 HA3 GLY 16 HA1 GLY 16 -18.124 15.796 -6.878 113 H LYS 17 HN LYS 17 -15.817 15.864 -4.298 114 HA LYS 17 HA LYS 17 -18.067 15.362 -2.348 115 HB2 LYS 17 HB2 LYS 17 -17.273 13.231 -3.238 116 HB3 LYS 17 HB1 LYS 17 -15.619 13.643 -2.784 117 HG2 LYS 17 HG2 LYS 17 -16.065 13.483 -0.482 118 HG3 LYS 17 HG1 LYS 17 -17.805 13.667 -0.704 119 HD2 LYS 17 HD2 LYS 17 -17.978 11.454 -1.674 120 HD3 LYS 17 HD1 LYS 17 -16.223 11.274 -1.686 121 HE2 LYS 17 HE2 LYS 17 -16.128 11.233 0.715 122 HE3 LYS 17 HE1 LYS 17 -17.820 11.712 0.848 123 HZ1 LYS 17 HZ1 LYS 17 -17.371 9.289 1.162 124 HZ2 LYS 17 HZ2 LYS 17 -16.939 9.212 -0.479 125 HZ3 LYS 17 HZ3 LYS 17 -18.519 9.649 -0.034 126 H LYS 18 HN LYS 18 -17.517 15.392 -0.130 127 HA LYS 18 HA LYS 18 -16.052 17.606 0.745 128 HB2 LYS 18 HB2 LYS 18 -17.471 16.895 2.414 129 HB3 LYS 18 HB1 LYS 18 -17.346 15.211 1.926 130 HG2 LYS 18 HG2 LYS 18 -15.205 15.004 3.062 131 HG3 LYS 18 HG1 LYS 18 -15.229 16.715 3.478 132 HD2 LYS 18 HD2 LYS 18 -17.340 14.722 4.341 133 HD3 LYS 18 HD1 LYS 18 -15.974 15.201 5.345 134 HE2 LYS 18 HE2 LYS 18 -17.540 16.725 6.113 135 HE3 LYS 18 HE1 LYS 18 -16.913 17.661 4.758 136 HZ1 LYS 18 HZ1 LYS 18 -18.871 15.937 3.773 137 HZ2 LYS 18 HZ2 LYS 18 -18.924 17.632 3.876 138 HZ3 LYS 18 HZ3 LYS 18 -19.511 16.681 5.156 139 H TYR 19 HN TYR 19 -14.037 17.369 2.234 140 HA TYR 19 HA TYR 19 -12.181 15.247 1.262 141 HB2 TYR 19 HB2 TYR 19 -10.515 16.913 0.648 142 HB3 TYR 19 HB1 TYR 19 -12.015 17.221 -0.225 143 HD1 TYR 19 HD1 TYR 19 -13.703 18.888 0.866 144 HD2 TYR 19 HD2 TYR 19 -9.550 18.634 1.916 145 HE1 TYR 19 HE1 TYR 19 -13.816 21.158 1.845 146 HE2 TYR 19 HE2 TYR 19 -9.661 20.914 2.893 147 HH TYR 19 HH TYR 19 -11.449 23.065 2.336 148 H ILE 20 HN ILE 20 -10.219 15.123 2.551 149 HA ILE 20 HA ILE 20 -10.667 16.027 5.376 150 HB ILE 20 HB ILE 20 -9.035 13.715 4.280 151 HG12 ILE 20 HG12 ILE 20 -11.549 13.425 5.930 152 HG13 ILE 20 HG11 ILE 20 -11.692 13.706 4.199 153 HG21 ILE 20 HG21 ILE 20 -9.115 13.051 6.754 154 HG22 ILE 20 HG22 ILE 20 -9.654 14.700 7.071 155 HG23 ILE 20 HG23 ILE 20 -8.074 14.414 6.343 156 HD11 ILE 20 HD11 ILE 20 -9.964 11.510 5.360 157 HD12 ILE 20 HD12 ILE 20 -10.443 11.727 3.677 158 HD13 ILE 20 HD13 ILE 20 -11.644 11.265 4.883 159 H LEU 21 HN LEU 21 -9.009 17.140 6.430 160 HA LEU 21 HA LEU 21 -6.760 18.076 4.722 161 HB2 LEU 21 HB2 LEU 21 -7.685 18.950 7.478 162 HB3 LEU 21 HB1 LEU 21 -6.271 19.604 6.645 163 HG LEU 21 HG LEU 21 -8.310 21.028 6.406 164 HD11 LEU 21 HD11 LEU 21 -6.404 20.686 4.613 165 HD12 LEU 21 HD12 LEU 21 -7.847 21.607 4.206 166 HD13 LEU 21 HD13 LEU 21 -7.696 19.938 3.681 167 HD21 LEU 21 HD21 LEU 21 -9.429 18.922 4.559 168 HD22 LEU 21 HD22 LEU 21 -10.243 20.305 5.284 169 HD23 LEU 21 HD23 LEU 21 -9.829 18.911 6.279 170 H ARG 22 HN ARG 22 -4.976 16.844 4.795 171 HA ARG 22 HA ARG 22 -4.232 15.483 7.364 172 HB2 ARG 22 HB2 ARG 22 -4.729 14.099 5.228 173 HB3 ARG 22 HB1 ARG 22 -3.205 14.748 4.625 174 HG2 ARG 22 HG2 ARG 22 -2.630 12.687 5.642 175 HG3 ARG 22 HG1 ARG 22 -2.158 13.924 6.801 176 HD2 ARG 22 HD2 ARG 22 -4.832 13.348 7.484 177 HD3 ARG 22 HD1 ARG 22 -4.154 11.792 7.089 178 HE ARG 22 HE ARG 22 -3.720 13.132 9.511 179 HH11 ARG 22 HH21 ARG 22 -1.794 11.846 6.949 180 HH12 ARG 22 HH22 ARG 22 -0.400 11.613 7.946 181 HH21 ARG 22 HH11 ARG 22 -1.917 12.824 10.815 182 HH22 ARG 22 HH12 ARG 22 -0.469 12.163 10.132 183 H GLU 23 HN GLU 23 -2.202 15.945 8.209 184 HA GLU 23 HA GLU 23 -0.290 17.287 8.533 185 HB2 GLU 23 HB2 GLU 23 -0.103 16.700 5.559 186 HB3 GLU 23 HB1 GLU 23 1.186 17.461 6.491 187 HG2 GLU 23 HG2 GLU 23 -0.022 14.807 7.288 188 HG3 GLU 23 HG1 GLU 23 1.356 14.922 6.193 189 H GLU 24 HN GLU 24 -2.850 18.543 7.977 190 HA GLU 24 HA GLU 24 -3.703 20.684 7.614 191 HB2 GLU 24 HB2 GLU 24 -0.874 21.651 7.165 192 HB3 GLU 24 HB1 GLU 24 -2.250 22.541 7.812 193 HG2 GLU 24 HG2 GLU 24 -2.233 20.831 9.740 194 HG3 GLU 24 HG1 GLU 24 -0.629 20.378 9.161 195 H SER 25 HN SER 25 -3.485 18.850 5.413 196 HA SER 25 HA SER 25 -3.465 20.821 3.222 197 HB2 SER 25 HB2 SER 25 -2.002 18.243 2.748 198 HB3 SER 25 HB1 SER 25 -1.836 19.782 1.910 199 HG SER 25 HG SER 25 -1.223 20.381 4.310 200 HA PRO 26 HA PRO 26 -7.078 18.379 2.167 201 HB2 PRO 26 HB2 PRO 26 -7.134 19.102 -0.590 202 HB3 PRO 26 HB1 PRO 26 -8.009 19.900 0.721 203 HG2 PRO 26 HG2 PRO 26 -5.616 20.820 -0.728 204 HG3 PRO 26 HG1 PRO 26 -6.697 21.739 0.327 205 HD2 PRO 26 HD2 PRO 26 -4.075 20.877 0.978 206 HD3 PRO 26 HD1 PRO 26 -5.280 21.526 2.110 207 H TYR 27 HN TYR 27 -7.096 16.245 1.760 208 HA TYR 27 HA TYR 27 -5.351 15.123 -0.414 209 HB2 TYR 27 HB2 TYR 27 -5.983 14.128 2.375 210 HB3 TYR 27 HB1 TYR 27 -5.666 12.960 1.109 211 HD1 TYR 27 HD2 TYR 27 -3.589 15.819 0.441 212 HD2 TYR 27 HD1 TYR 27 -3.985 12.424 3.036 213 HE1 TYR 27 HE2 TYR 27 -1.189 15.925 0.929 214 HE2 TYR 27 HE1 TYR 27 -1.563 12.542 3.539 215 HH TYR 27 HH TYR 27 0.262 14.971 3.221 216 H CYS 28 HN CYS 28 -6.459 13.682 -1.802 217 HA CYS 28 HA CYS 28 -9.327 13.959 -1.869 218 HB2 CYS 28 HB2 CYS 28 -9.265 12.269 -3.656 219 HB3 CYS 28 HB1 CYS 28 -8.018 13.472 -3.914 220 H VAL 29 HN VAL 29 -10.908 12.348 -1.318 221 HA VAL 29 HA VAL 29 -10.688 11.052 1.106 222 HB VAL 29 HB VAL 29 -12.179 9.829 -1.223 223 HG11 VAL 29 HG11 VAL 29 -12.896 10.120 1.700 224 HG12 VAL 29 HG12 VAL 29 -12.121 8.690 1.016 225 HG13 VAL 29 HG13 VAL 29 -13.738 9.156 0.486 226 HG21 VAL 29 HG21 VAL 29 -12.751 12.332 0.378 227 HG22 VAL 29 HG22 VAL 29 -14.023 11.440 -0.457 228 HG23 VAL 29 HG23 VAL 29 -12.697 12.151 -1.376 229 H VAL 30 HN VAL 30 -10.184 9.509 -2.056 230 HA VAL 30 HA VAL 30 -9.403 6.968 -1.294 231 HB VAL 30 HB VAL 30 -7.938 8.524 -3.427 232 HG11 VAL 30 HG11 VAL 30 -7.783 6.395 -4.511 233 HG12 VAL 30 HG12 VAL 30 -8.926 5.668 -3.382 234 HG13 VAL 30 HG13 VAL 30 -7.318 6.136 -2.830 235 HG21 VAL 30 HG21 VAL 30 -10.762 7.441 -3.390 236 HG22 VAL 30 HG22 VAL 30 -9.883 7.730 -4.891 237 HG23 VAL 30 HG23 VAL 30 -10.231 9.072 -3.802 238 H CYS 31 HN CYS 31 -7.156 9.760 -1.669 239 HA CYS 31 HA CYS 31 -4.780 8.538 -0.932 240 HB2 CYS 31 HB2 CYS 31 -5.851 11.288 -0.598 241 HB3 CYS 31 HB1 CYS 31 -4.478 10.880 0.423 242 H PHE 32 HN PHE 32 -6.826 10.257 1.431 243 HA PHE 32 HA PHE 32 -5.634 9.421 3.782 244 HB2 PHE 32 HB2 PHE 32 -7.658 10.928 3.544 245 HB3 PHE 32 HB1 PHE 32 -8.642 9.473 3.404 246 HD1 PHE 32 HD1 PHE 32 -8.532 7.745 5.298 247 HD2 PHE 32 HD2 PHE 32 -6.998 11.742 5.663 248 HE1 PHE 32 HE1 PHE 32 -8.579 7.538 7.768 249 HE2 PHE 32 HE2 PHE 32 -7.046 11.535 8.133 250 HZ PHE 32 HZ PHE 32 -7.838 9.433 9.186 251 H GLU 33 HN GLU 33 -8.117 7.519 2.001 252 HA GLU 33 HA GLU 33 -7.993 5.330 3.868 253 HB2 GLU 33 HB2 GLU 33 -8.979 5.430 1.014 254 HB3 GLU 33 HB1 GLU 33 -9.266 4.104 2.145 255 HG2 GLU 33 HG2 GLU 33 -10.005 6.942 2.862 256 HG3 GLU 33 HG1 GLU 33 -11.093 5.924 1.932 257 H THR 34 HN THR 34 -6.903 5.404 0.444 258 HA THR 34 HA THR 34 -5.487 3.007 0.479 259 HB THR 34 HB THR 34 -5.928 4.769 -1.431 260 HG1 THR 34 HG1 THR 34 -5.109 3.111 -2.376 261 HG21 THR 34 HG21 THR 34 -3.011 5.314 -0.879 262 HG22 THR 34 HG22 THR 34 -4.294 6.402 -0.361 263 HG23 THR 34 HG23 THR 34 -4.053 6.084 -2.075 264 H LEU 35 HN LEU 35 -4.246 6.203 1.445 265 HA LEU 35 HA LEU 35 -1.562 5.469 1.901 266 HB2 LEU 35 HB2 LEU 35 -3.303 7.458 3.365 267 HB3 LEU 35 HB1 LEU 35 -1.563 7.337 3.592 268 HG LEU 35 HG LEU 35 -2.797 7.748 0.860 269 HD11 LEU 35 HD11 LEU 35 -1.839 9.862 2.805 270 HD12 LEU 35 HD12 LEU 35 -3.520 9.570 2.359 271 HD13 LEU 35 HD13 LEU 35 -2.375 10.147 1.149 272 HD21 LEU 35 HD21 LEU 35 -0.519 7.088 0.653 273 HD22 LEU 35 HD22 LEU 35 -0.027 8.042 2.051 274 HD23 LEU 35 HD23 LEU 35 -0.471 8.844 0.548 275 H PHE 36 HN PHE 36 -4.123 5.646 4.400 276 HA PHE 36 HA PHE 36 -2.408 4.003 6.185 277 HB2 PHE 36 HB2 PHE 36 -5.108 5.045 6.986 278 HB3 PHE 36 HB1 PHE 36 -3.638 4.885 7.944 279 HD1 PHE 36 HD2 PHE 36 -1.650 6.179 6.109 280 HD2 PHE 36 HD1 PHE 36 -5.638 7.341 7.206 281 HE1 PHE 36 HE2 PHE 36 -1.094 8.539 5.619 282 HE2 PHE 36 HE1 PHE 36 -5.078 9.701 6.716 283 HZ PHE 36 HZ PHE 36 -2.806 10.302 5.921 284 H ALA 37 HN ALA 37 -4.772 3.329 3.911 285 HA ALA 37 HA ALA 37 -6.383 1.422 5.313 286 HB1 ALA 37 HB1 ALA 37 -6.623 0.392 2.945 287 HB2 ALA 37 HB2 ALA 37 -5.638 1.752 2.412 288 HB3 ALA 37 HB3 ALA 37 -7.196 2.042 3.183 289 H ASN 38 HN ASN 38 -6.212 -0.925 5.221 290 HA ASN 38 HA ASN 38 -3.421 -1.831 5.541 291 HB2 ASN 38 HB2 ASN 38 -6.127 -3.055 6.095 292 HB3 ASN 38 HB1 ASN 38 -4.638 -3.984 6.210 293 HD21 ASN 38 HD21 ASN 38 -6.735 -2.190 8.073 294 HD22 ASN 38 HD22 ASN 38 -5.671 -1.708 9.304 295 H THR 39 HN THR 39 -2.602 -3.699 4.370 296 HA THR 39 HA THR 39 -3.669 -3.845 1.608 297 HB THR 39 HB THR 39 -1.245 -5.311 2.669 298 HG1 THR 39 HG1 THR 39 -1.675 -2.643 2.495 299 HG21 THR 39 HG21 THR 39 -1.772 -4.074 -0.042 300 HG22 THR 39 HG22 THR 39 -2.233 -5.730 0.355 301 HG23 THR 39 HG23 THR 39 -0.534 -5.255 0.388 302 H CYS 40 HN CYS 40 -4.723 -5.622 0.800 303 HA CYS 40 HA CYS 40 -5.377 -7.816 2.675 304 HB2 CYS 40 HB2 CYS 40 -7.248 -7.092 1.404 305 HB3 CYS 40 HB1 CYS 40 -6.328 -7.047 -0.094 306 H GLU 41 HN GLU 41 -3.701 -9.170 2.874 307 HA GLU 41 HA GLU 41 -1.625 -9.754 1.155 308 HB2 GLU 41 HB2 GLU 41 -3.073 -11.774 2.883 309 HB3 GLU 41 HB1 GLU 41 -1.405 -11.877 2.326 310 HG2 GLU 41 HG2 GLU 41 -0.819 -9.861 3.577 311 HG3 GLU 41 HG1 GLU 41 -2.496 -9.640 4.067 312 H GLU 42 HN GLU 42 -4.948 -10.600 0.688 313 HA GLU 42 HA GLU 42 -4.310 -12.729 -1.265 314 HB2 GLU 42 HB2 GLU 42 -6.403 -12.593 0.333 315 HB3 GLU 42 HB1 GLU 42 -7.062 -11.540 -0.914 316 HG2 GLU 42 HG2 GLU 42 -6.000 -14.338 -1.399 317 HG3 GLU 42 HG1 GLU 42 -7.705 -13.916 -1.251 318 H CYS 43 HN CYS 43 -6.193 -9.671 -1.448 319 HA CYS 43 HA CYS 43 -5.927 -9.565 -4.341 320 HB2 CYS 43 HB2 CYS 43 -6.740 -7.359 -2.424 321 HB3 CYS 43 HB1 CYS 43 -7.045 -7.406 -4.160 322 H GLY 44 HN GLY 44 -4.418 -7.853 -1.614 323 HA2 GLY 44 HA2 GLY 44 -2.134 -7.081 -1.613 324 HA3 GLY 44 HA1 GLY 44 -2.126 -7.159 -3.377 325 H LYS 45 HN LYS 45 -4.995 -5.827 -2.868 326 HA LYS 45 HA LYS 45 -3.964 -3.089 -3.245 327 HB2 LYS 45 HB2 LYS 45 -6.715 -4.325 -3.497 328 HB3 LYS 45 HB1 LYS 45 -6.416 -2.602 -3.715 329 HG2 LYS 45 HG2 LYS 45 -4.974 -2.996 -5.589 330 HG3 LYS 45 HG1 LYS 45 -4.925 -4.730 -5.266 331 HD2 LYS 45 HD2 LYS 45 -7.403 -4.813 -5.682 332 HD3 LYS 45 HD1 LYS 45 -7.327 -3.121 -6.177 333 HE2 LYS 45 HE2 LYS 45 -5.822 -5.421 -7.458 334 HE3 LYS 45 HE1 LYS 45 -7.205 -4.572 -8.149 335 HZ1 LYS 45 HZ1 LYS 45 -5.547 -2.548 -7.575 336 HZ2 LYS 45 HZ2 LYS 45 -5.639 -3.307 -9.092 337 HZ3 LYS 45 HZ3 LYS 45 -4.436 -3.762 -7.982 338 HA PRO 46 HA PRO 46 -4.781 -1.847 0.941 339 HB2 PRO 46 HB2 PRO 46 -6.089 0.653 0.227 340 HB3 PRO 46 HB1 PRO 46 -4.455 0.418 0.863 341 HG2 PRO 46 HG2 PRO 46 -5.214 1.113 -1.834 342 HG3 PRO 46 HG1 PRO 46 -3.580 0.858 -1.203 343 HD2 PRO 46 HD2 PRO 46 -5.059 -0.868 -2.971 344 HD3 PRO 46 HD1 PRO 46 -3.441 -1.136 -2.294 345 H ILE 47 HN ILE 47 -6.532 -2.082 2.381 346 HA ILE 47 HA ILE 47 -9.186 -2.629 1.142 347 HB ILE 47 HB ILE 47 -8.335 -3.135 4.010 348 HG12 ILE 47 HG12 ILE 47 -8.217 -5.015 1.627 349 HG13 ILE 47 HG11 ILE 47 -6.819 -4.305 2.424 350 HG21 ILE 47 HG21 ILE 47 -10.728 -3.192 3.726 351 HG22 ILE 47 HG22 ILE 47 -10.192 -4.867 3.784 352 HG23 ILE 47 HG23 ILE 47 -10.592 -4.126 2.241 353 HD11 ILE 47 HD11 ILE 47 -8.089 -5.426 4.568 354 HD12 ILE 47 HD12 ILE 47 -6.840 -6.241 3.629 355 HD13 ILE 47 HD13 ILE 47 -8.541 -6.552 3.288 356 H GLY 48 HN GLY 48 -10.250 -0.690 0.955 357 HA2 GLY 48 HA2 GLY 48 -9.941 1.560 2.652 358 HA3 GLY 48 HA1 GLY 48 -11.358 1.265 1.645 359 H CYS 49 HN CYS 49 -10.729 2.015 4.662 360 HA CYS 49 HA CYS 49 -11.860 0.011 6.321 361 HB2 CYS 49 HB2 CYS 49 -10.791 1.950 7.308 362 HB3 CYS 49 HB1 CYS 49 -11.961 3.034 6.556 363 HG CYS 49 HG CYS 49 -13.767 1.538 8.083 364 H ASP 50 HN ASP 50 -13.340 2.063 3.966 365 HA ASP 50 HA ASP 50 -16.043 1.832 5.060 366 HB2 ASP 50 HB2 ASP 50 -15.041 2.708 2.332 367 HB3 ASP 50 HB1 ASP 50 -16.720 2.811 2.864 368 H CYS 51 HN CYS 51 -14.512 -0.650 4.599 369 HA CYS 51 HA CYS 51 -16.563 -2.066 2.996 370 HB2 CYS 51 HB2 CYS 51 -13.591 -2.173 2.401 371 HB3 CYS 51 HB1 CYS 51 -14.772 -3.309 1.749 372 HG CYS 51 HG CYS 51 -15.229 -0.281 1.202 373 H LYS 52 HN LYS 52 -15.780 -4.572 3.063 374 HA LYS 52 HA LYS 52 -15.793 -5.259 5.883 375 HB2 LYS 52 HB2 LYS 52 -15.798 -6.774 3.286 376 HB3 LYS 52 HB1 LYS 52 -15.405 -7.646 4.764 377 HG2 LYS 52 HG2 LYS 52 -17.823 -7.760 4.241 378 HG3 LYS 52 HG1 LYS 52 -17.523 -6.949 5.774 379 HD2 LYS 52 HD2 LYS 52 -17.785 -4.762 4.716 380 HD3 LYS 52 HD1 LYS 52 -17.960 -5.521 3.134 381 HE2 LYS 52 HE2 LYS 52 -19.845 -5.761 5.494 382 HE3 LYS 52 HE1 LYS 52 -20.175 -4.992 3.941 383 HZ1 LYS 52 HZ1 LYS 52 -21.120 -7.049 3.664 384 HZ2 LYS 52 HZ2 LYS 52 -19.941 -7.851 4.589 385 HZ3 LYS 52 HZ3 LYS 52 -19.577 -7.320 3.016 386 H ASP 53 HN ASP 53 -13.840 -4.615 6.858 387 HA ASP 53 HA ASP 53 -11.293 -5.626 5.674 388 HB2 ASP 53 HB2 ASP 53 -10.197 -4.131 7.286 389 HB3 ASP 53 HB1 ASP 53 -11.383 -3.242 6.333 390 H LEU 54 HN LEU 54 -11.504 -7.844 6.259 391 HA LEU 54 HA LEU 54 -12.127 -8.667 8.938 392 HB2 LEU 54 HB2 LEU 54 -12.074 -9.961 6.582 393 HB3 LEU 54 HB1 LEU 54 -10.462 -10.387 7.110 394 HG LEU 54 HG LEU 54 -13.051 -11.508 7.930 395 HD11 LEU 54 HD11 LEU 54 -11.545 -13.318 8.804 396 HD12 LEU 54 HD12 LEU 54 -10.172 -12.330 8.314 397 HD13 LEU 54 HD13 LEU 54 -11.317 -12.912 7.108 398 HD21 LEU 54 HD21 LEU 54 -11.265 -10.472 10.136 399 HD22 LEU 54 HD22 LEU 54 -12.227 -11.923 10.361 400 HD23 LEU 54 HD23 LEU 54 -13.022 -10.396 10.014 401 H SER 55 HN SER 55 -10.766 -8.515 10.691 402 HA SER 55 HA SER 55 -7.816 -8.232 10.187 403 HB2 SER 55 HB2 SER 55 -7.718 -7.018 12.292 404 HB3 SER 55 HB1 SER 55 -8.961 -6.293 11.277 405 HG SER 55 HG SER 55 -9.311 -7.048 13.677 406 H TYR 56 HN TYR 56 -6.560 -9.904 10.883 407 HA TYR 56 HA TYR 56 -7.405 -11.480 13.250 408 HB2 TYR 56 HB2 TYR 56 -8.251 -12.486 10.963 409 HB3 TYR 56 HB1 TYR 56 -6.572 -12.987 10.772 410 HD1 TYR 56 HD1 TYR 56 -5.494 -14.231 12.767 411 HD2 TYR 56 HD2 TYR 56 -9.726 -13.802 12.256 412 HE1 TYR 56 HE1 TYR 56 -5.864 -16.146 14.299 413 HE2 TYR 56 HE2 TYR 56 -10.104 -15.718 13.785 414 HH TYR 56 HH TYR 56 -8.687 -17.804 14.504 415 H LYS 57 HN LYS 57 -5.634 -11.568 14.527 416 HA LYS 57 HA LYS 57 -3.405 -11.611 15.220 417 HB2 LYS 57 HB2 LYS 57 -3.559 -13.774 13.916 418 HB3 LYS 57 HB1 LYS 57 -2.862 -12.912 12.550 419 HG2 LYS 57 HG2 LYS 57 -0.854 -12.408 13.829 420 HG3 LYS 57 HG1 LYS 57 -1.570 -13.080 15.289 421 HD2 LYS 57 HD2 LYS 57 -1.313 -14.807 12.829 422 HD3 LYS 57 HD1 LYS 57 0.094 -14.542 13.854 423 HE2 LYS 57 HE2 LYS 57 -1.247 -15.326 15.821 424 HE3 LYS 57 HE1 LYS 57 -2.569 -15.711 14.719 425 HZ1 LYS 57 HZ1 LYS 57 0.028 -17.016 15.040 426 HZ2 LYS 57 HZ2 LYS 57 -0.652 -16.979 13.484 427 HZ3 LYS 57 HZ3 LYS 57 -1.501 -17.699 14.767 428 H ASP 58 HN ASP 58 -3.956 -9.169 14.472 429 HA ASP 58 HA ASP 58 -3.085 -7.168 13.633 430 HB2 ASP 58 HB2 ASP 58 -1.144 -8.037 14.952 431 HB3 ASP 58 HB1 ASP 58 -0.519 -8.767 13.473 432 H ARG 59 HN ARG 59 -3.735 -9.592 11.639 433 HA ARG 59 HA ARG 59 -2.427 -8.336 9.243 434 HB2 ARG 59 HB2 ARG 59 -3.606 -11.103 9.614 435 HB3 ARG 59 HB1 ARG 59 -3.030 -10.464 8.079 436 HG2 ARG 59 HG2 ARG 59 -0.794 -10.307 8.858 437 HG3 ARG 59 HG1 ARG 59 -1.275 -10.533 10.534 438 HD2 ARG 59 HD2 ARG 59 -2.062 -12.829 9.958 439 HD3 ARG 59 HD1 ARG 59 -1.438 -12.594 8.327 440 HE ARG 59 HE ARG 59 0.742 -12.050 9.942 441 HH11 ARG 59 HH21 ARG 59 -1.538 -14.614 9.607 442 HH12 ARG 59 HH22 ARG 59 -0.426 -15.846 10.105 443 HH21 ARG 59 HH11 ARG 59 2.206 -13.643 10.594 444 HH22 ARG 59 HH12 ARG 59 1.693 -15.295 10.664 445 H HIS 60 HN HIS 60 -3.911 -8.354 7.271 446 HA HIS 60 HA HIS 60 -6.763 -7.856 8.087 447 HB2 HIS 60 HB2 HIS 60 -5.029 -6.262 6.191 448 HB3 HIS 60 HB1 HIS 60 -6.769 -6.042 6.366 449 HD2 HIS 60 HD2 HIS 60 -7.561 -4.636 8.671 450 HE1 HIS 60 HE1 HIS 60 -3.702 -4.151 10.314 451 HE2 HIS 60 HE2 HIS 60 -6.144 -3.493 10.543 452 H TRP 61 HN TRP 61 -8.341 -8.357 6.518 453 HA TRP 61 HA TRP 61 -7.562 -9.494 3.930 454 HB2 TRP 61 HB2 TRP 61 -8.285 -11.185 6.298 455 HB3 TRP 61 HB1 TRP 61 -8.994 -11.656 4.759 456 HD1 TRP 61 HD1 TRP 61 -6.954 -11.574 2.676 457 HE1 TRP 61 HE1 TRP 61 -4.693 -12.806 2.796 458 HE3 TRP 61 HE3 TRP 61 -6.531 -12.164 7.738 459 HZ2 TRP 61 HZ2 TRP 61 -2.936 -13.894 4.770 460 HZ3 TRP 61 HZ3 TRP 61 -4.553 -13.302 8.705 461 HH2 TRP 61 HH2 TRP 61 -2.758 -14.168 7.228 462 H HIS 62 HN HIS 62 -9.405 -9.672 2.533 463 HA HIS 62 HA HIS 62 -11.732 -8.100 3.361 464 HB2 HIS 62 HB2 HIS 62 -11.122 -9.759 0.894 465 HB3 HIS 62 HB1 HIS 62 -12.662 -8.954 1.125 466 HD2 HIS 62 HD2 HIS 62 -12.171 -5.993 1.670 467 HE1 HIS 62 HE1 HIS 62 -8.893 -6.007 -0.988 468 HE2 HIS 62 HE2 HIS 62 -10.543 -4.531 0.249 469 H GLU 63 HN GLU 63 -13.516 -9.037 4.409 470 HA GLU 63 HA GLU 63 -13.592 -11.528 5.567 471 HB2 GLU 63 HB2 GLU 63 -15.866 -9.893 4.425 472 HB3 GLU 63 HB1 GLU 63 -16.156 -11.391 5.305 473 HG2 GLU 63 HG2 GLU 63 -15.056 -10.524 7.277 474 HG3 GLU 63 HG1 GLU 63 -14.547 -9.075 6.412 475 H ALA 64 HN ALA 64 -14.126 -10.865 2.163 476 HA ALA 64 HA ALA 64 -15.141 -13.597 1.648 477 HB1 ALA 64 HB1 ALA 64 -14.482 -11.381 -0.310 478 HB2 ALA 64 HB2 ALA 64 -16.063 -11.628 0.430 479 HB3 ALA 64 HB3 ALA 64 -15.396 -12.850 -0.653 480 H CYS 65 HN CYS 65 -12.085 -11.919 1.567 481 HA CYS 65 HA CYS 65 -10.846 -13.753 -0.354 482 HB2 CYS 65 HB2 CYS 65 -9.811 -11.582 1.455 483 HB3 CYS 65 HB1 CYS 65 -8.706 -12.643 0.586 484 H PHE 66 HN PHE 66 -11.162 -13.566 3.128 485 HA PHE 66 HA PHE 66 -9.119 -15.536 3.689 486 HB2 PHE 66 HB2 PHE 66 -10.343 -13.722 5.197 487 HB3 PHE 66 HB1 PHE 66 -11.447 -15.049 5.530 488 HD1 PHE 66 HD2 PHE 66 -10.041 -17.398 5.864 489 HD2 PHE 66 HD1 PHE 66 -8.665 -13.448 6.788 490 HE1 PHE 66 HE2 PHE 66 -8.424 -18.349 7.471 491 HE2 PHE 66 HE1 PHE 66 -7.036 -14.394 8.402 492 HZ PHE 66 HZ PHE 66 -6.915 -16.846 8.737 493 H HIS 67 HN HIS 67 -9.417 -17.530 2.693 494 HA HIS 67 HA HIS 67 -11.767 -19.086 3.531 495 HB2 HIS 67 HB2 HIS 67 -12.184 -19.794 1.114 496 HB3 HIS 67 HB1 HIS 67 -12.684 -18.157 1.530 497 HD2 HIS 67 HD2 HIS 67 -12.011 -18.309 -1.554 498 HE1 HIS 67 HE1 HIS 67 -8.100 -17.015 -0.633 499 HE2 HIS 67 HE2 HIS 67 -9.799 -17.295 -2.500 500 H CYS 68 HN CYS 68 -11.591 -21.414 2.532 501 HA CYS 68 HA CYS 68 -8.855 -22.356 3.083 502 HB2 CYS 68 HB2 CYS 68 -10.581 -23.731 4.022 503 HB3 CYS 68 HB1 CYS 68 -11.480 -23.756 2.516 504 H SER 69 HN SER 69 -7.504 -23.343 1.515 505 HA SER 69 HA SER 69 -7.909 -22.461 -1.210 506 HB2 SER 69 HB2 SER 69 -5.680 -22.857 0.018 507 HB3 SER 69 HB1 SER 69 -5.925 -24.562 -0.334 508 HG SER 69 HG SER 69 -5.746 -22.402 -2.169 509 H GLN 70 HN GLN 70 -8.714 -25.388 0.517 510 HA GLN 70 HA GLN 70 -9.178 -26.870 -2.028 511 HB2 GLN 70 HB2 GLN 70 -9.525 -27.868 0.808 512 HB3 GLN 70 HB1 GLN 70 -9.413 -28.837 -0.660 513 HG2 GLN 70 HG2 GLN 70 -7.176 -26.992 0.163 514 HG3 GLN 70 HG1 GLN 70 -7.283 -28.624 0.803 515 HE21 GLN 70 HE21 GLN 70 -5.782 -26.912 -1.561 516 HE22 GLN 70 HE22 GLN 70 -5.619 -28.115 -2.740 517 H CYS 71 HN CYS 71 -10.956 -26.010 0.943 518 HA CYS 71 HA CYS 71 -13.505 -26.805 -0.343 519 HB2 CYS 71 HB2 CYS 71 -13.270 -25.499 2.366 520 HB3 CYS 71 HB1 CYS 71 -14.484 -26.640 1.786 521 H ARG 72 HN ARG 72 -11.639 -24.023 -0.290 522 HA ARG 72 HA ARG 72 -12.125 -21.763 -0.655 523 HB2 ARG 72 HB2 ARG 72 -14.511 -22.901 -2.130 524 HB3 ARG 72 HB1 ARG 72 -13.687 -21.377 -2.439 525 HG2 ARG 72 HG2 ARG 72 -11.688 -22.519 -3.175 526 HG3 ARG 72 HG1 ARG 72 -12.348 -24.080 -2.690 527 HD2 ARG 72 HD2 ARG 72 -12.512 -23.570 -5.171 528 HD3 ARG 72 HD1 ARG 72 -14.035 -23.996 -4.392 529 HE ARG 72 HE ARG 72 -13.957 -21.233 -4.216 530 HH11 ARG 72 HH21 ARG 72 -13.619 -23.591 -6.708 531 HH12 ARG 72 HH22 ARG 72 -14.270 -22.570 -7.946 532 HH21 ARG 72 HH11 ARG 72 -14.811 -19.886 -5.817 533 HH22 ARG 72 HH12 ARG 72 -14.947 -20.473 -7.441 534 H ASN 73 HN ASN 73 -13.580 -23.303 1.602 535 HA ASN 73 HA ASN 73 -16.088 -21.892 1.969 536 HB2 ASN 73 HB2 ASN 73 -14.248 -23.516 3.716 537 HB3 ASN 73 HB1 ASN 73 -15.538 -22.575 4.470 538 HD21 ASN 73 HD21 ASN 73 -17.562 -23.546 4.544 539 HD22 ASN 73 HD22 ASN 73 -18.034 -24.878 3.608 540 H SER 74 HN SER 74 -16.389 -20.076 3.447 541 HA SER 74 HA SER 74 -14.046 -18.268 3.441 542 HB2 SER 74 HB2 SER 74 -16.810 -17.720 4.550 543 HB3 SER 74 HB1 SER 74 -15.591 -16.542 4.074 544 HG SER 74 HG SER 74 -16.835 -18.425 2.346 545 H LEU 75 HN LEU 75 -12.627 -18.988 5.081 546 HA LEU 75 HA LEU 75 -13.685 -19.716 7.715 547 HB2 LEU 75 HB2 LEU 75 -10.791 -19.118 7.169 548 HB3 LEU 75 HB1 LEU 75 -11.478 -20.238 8.326 549 HG LEU 75 HG LEU 75 -11.905 -20.686 5.364 550 HD11 LEU 75 HD11 LEU 75 -9.889 -21.915 5.173 551 HD12 LEU 75 HD12 LEU 75 -9.558 -21.791 6.894 552 HD13 LEU 75 HD13 LEU 75 -9.430 -20.368 5.862 553 HD21 LEU 75 HD21 LEU 75 -13.165 -22.000 7.044 554 HD22 LEU 75 HD22 LEU 75 -11.636 -22.533 7.744 555 HD23 LEU 75 HD23 LEU 75 -12.068 -23.009 6.101 556 H VAL 76 HN VAL 76 -14.348 -18.122 9.052 557 HA VAL 76 HA VAL 76 -12.631 -15.715 9.369 558 HB VAL 76 HB VAL 76 -15.622 -15.719 8.836 559 HG11 VAL 76 HG11 VAL 76 -15.360 -13.209 9.253 560 HG12 VAL 76 HG12 VAL 76 -13.831 -13.602 10.040 561 HG13 VAL 76 HG13 VAL 76 -15.344 -14.236 10.687 562 HG21 VAL 76 HG21 VAL 76 -14.088 -15.650 6.877 563 HG22 VAL 76 HG22 VAL 76 -13.298 -14.232 7.564 564 HG23 VAL 76 HG23 VAL 76 -14.984 -14.142 7.057 565 H ASP 77 HN ASP 77 -12.280 -15.409 11.549 566 HA ASP 77 HA ASP 77 -12.426 -15.866 13.853 567 HB2 ASP 77 HB2 ASP 77 -14.398 -14.431 13.706 568 HB3 ASP 77 HB1 ASP 77 -15.379 -15.782 13.145 569 H LYS 78 HN LYS 78 -12.734 -18.057 11.624 570 HA LYS 78 HA LYS 78 -13.697 -20.273 13.392 571 HB2 LYS 78 HB2 LYS 78 -13.722 -19.781 10.430 572 HB3 LYS 78 HB1 LYS 78 -13.583 -21.450 10.972 573 HG2 LYS 78 HG2 LYS 78 -15.644 -21.260 12.256 574 HG3 LYS 78 HG1 LYS 78 -15.746 -19.537 11.903 575 HD2 LYS 78 HD2 LYS 78 -17.223 -20.462 10.330 576 HD3 LYS 78 HD1 LYS 78 -15.740 -20.285 9.396 577 HE2 LYS 78 HE2 LYS 78 -16.786 -22.512 9.064 578 HE3 LYS 78 HE1 LYS 78 -15.185 -22.646 9.787 579 HZ1 LYS 78 HZ1 LYS 78 -17.397 -22.387 11.648 580 HZ2 LYS 78 HZ2 LYS 78 -16.022 -23.383 11.722 581 HZ3 LYS 78 HZ3 LYS 78 -17.352 -23.836 10.768 582 HA PRO 79 HA PRO 79 -9.515 -21.702 13.636 583 HB2 PRO 79 HB2 PRO 79 -9.960 -24.486 13.166 584 HB3 PRO 79 HB1 PRO 79 -9.883 -23.676 14.735 585 HG2 PRO 79 HG2 PRO 79 -12.248 -24.683 13.305 586 HG3 PRO 79 HG1 PRO 79 -12.112 -24.168 14.992 587 HD2 PRO 79 HD2 PRO 79 -13.398 -22.728 12.907 588 HD3 PRO 79 HD1 PRO 79 -12.978 -22.105 14.516 589 H PHE 80 HN PHE 80 -7.849 -21.814 12.136 590 HA PHE 80 HA PHE 80 -8.242 -23.209 9.562 591 HB2 PHE 80 HB2 PHE 80 -7.535 -21.244 8.220 592 HB3 PHE 80 HB1 PHE 80 -9.086 -20.967 9.022 593 HD1 PHE 80 HD1 PHE 80 -5.403 -20.317 9.293 594 HD2 PHE 80 HD2 PHE 80 -9.341 -19.164 10.538 595 HE1 PHE 80 HE1 PHE 80 -4.469 -18.324 10.433 596 HE2 PHE 80 HE2 PHE 80 -8.407 -17.175 11.681 597 HZ PHE 80 HZ PHE 80 -5.964 -16.754 11.624 598 H ALA 81 HN ALA 81 -6.245 -23.681 8.527 599 HA ALA 81 HA ALA 81 -3.881 -23.427 10.319 600 HB1 ALA 81 HB1 ALA 81 -2.931 -25.222 9.119 601 HB2 ALA 81 HB2 ALA 81 -3.952 -24.946 7.708 602 HB3 ALA 81 HB3 ALA 81 -4.643 -25.640 9.176 603 H ALA 82 HN ALA 82 -2.645 -21.670 9.950 604 HA ALA 82 HA ALA 82 -2.828 -20.187 7.444 605 HB1 ALA 82 HB1 ALA 82 -1.569 -18.522 8.521 606 HB2 ALA 82 HB2 ALA 82 -0.751 -19.679 9.573 607 HB3 ALA 82 HB3 ALA 82 -2.440 -19.271 9.856 608 H LYS 83 HN LYS 83 -1.864 -21.163 5.719 609 HA LYS 83 HA LYS 83 0.776 -22.473 6.038 610 HB2 LYS 83 HB2 LYS 83 -0.797 -23.685 4.671 611 HB3 LYS 83 HB1 LYS 83 -1.146 -22.258 3.708 612 HG2 LYS 83 HG2 LYS 83 0.940 -22.302 2.629 613 HG3 LYS 83 HG1 LYS 83 1.662 -23.331 3.868 614 HD2 LYS 83 HD2 LYS 83 0.450 -25.246 3.123 615 HD3 LYS 83 HD1 LYS 83 -0.617 -24.267 2.116 616 HE2 LYS 83 HE2 LYS 83 1.278 -23.665 0.667 617 HE3 LYS 83 HE1 LYS 83 2.367 -24.609 1.683 618 HZ1 LYS 83 HZ1 LYS 83 0.313 -25.519 -0.194 619 HZ2 LYS 83 HZ2 LYS 83 0.605 -26.466 1.186 620 HZ3 LYS 83 HZ3 LYS 83 1.865 -26.138 0.094 621 H GLU 84 HN GLU 84 2.519 -21.820 4.514 622 HA GLU 84 HA GLU 84 3.448 -19.292 4.774 623 HB2 GLU 84 HB2 GLU 84 3.674 -21.111 2.375 624 HB3 GLU 84 HB1 GLU 84 4.575 -19.601 2.494 625 HG2 GLU 84 HG2 GLU 84 4.648 -21.703 4.667 626 HG3 GLU 84 HG1 GLU 84 5.790 -21.693 3.322 627 H ASP 85 HN ASP 85 1.576 -20.168 1.810 628 HA ASP 85 HA ASP 85 0.772 -17.273 1.631 629 HB2 ASP 85 HB2 ASP 85 1.767 -19.226 -0.425 630 HB3 ASP 85 HB1 ASP 85 0.630 -17.981 -0.927 631 H GLN 86 HN GLN 86 -0.430 -20.274 2.322 632 HA GLN 86 HA GLN 86 -3.099 -19.606 1.099 633 HB2 GLN 86 HB2 GLN 86 -2.120 -22.415 1.612 634 HB3 GLN 86 HB1 GLN 86 -3.490 -21.895 0.636 635 HG2 GLN 86 HG2 GLN 86 -0.604 -21.229 -0.010 636 HG3 GLN 86 HG1 GLN 86 -1.496 -22.572 -0.703 637 HE21 GLN 86 HE21 GLN 86 -0.468 -19.790 -1.784 638 HE22 GLN 86 HE22 GLN 86 -1.813 -19.209 -2.640 639 H LEU 87 HN LEU 87 -4.888 -20.804 2.195 640 HA LEU 87 HA LEU 87 -4.467 -21.156 5.122 641 HB2 LEU 87 HB2 LEU 87 -6.569 -19.507 3.693 642 HB3 LEU 87 HB1 LEU 87 -6.903 -20.205 5.277 643 HG LEU 87 HG LEU 87 -4.351 -18.656 4.880 644 HD11 LEU 87 HD11 LEU 87 -7.129 -17.516 5.115 645 HD12 LEU 87 HD12 LEU 87 -5.811 -17.011 4.060 646 HD13 LEU 87 HD13 LEU 87 -5.746 -16.649 5.784 647 HD21 LEU 87 HD21 LEU 87 -4.383 -18.446 7.197 648 HD22 LEU 87 HD22 LEU 87 -5.126 -20.028 6.989 649 HD23 LEU 87 HD23 LEU 87 -6.132 -18.619 7.298 650 H LEU 88 HN LEU 88 -5.436 -23.014 5.861 651 HA LEU 88 HA LEU 88 -7.332 -24.447 4.025 652 HB2 LEU 88 HB2 LEU 88 -4.857 -25.503 5.418 653 HB3 LEU 88 HB1 LEU 88 -6.096 -26.554 4.743 654 HG LEU 88 HG LEU 88 -4.937 -24.405 2.980 655 HD11 LEU 88 HD11 LEU 88 -3.194 -26.095 2.252 656 HD12 LEU 88 HD12 LEU 88 -3.553 -26.981 3.734 657 HD13 LEU 88 HD13 LEU 88 -2.908 -25.342 3.820 658 HD21 LEU 88 HD21 LEU 88 -6.781 -25.755 2.131 659 HD22 LEU 88 HD22 LEU 88 -5.907 -27.238 2.519 660 HD23 LEU 88 HD23 LEU 88 -5.302 -26.162 1.261 661 H CYS 89 HN CYS 89 -8.489 -26.234 5.246 662 HA CYS 89 HA CYS 89 -9.351 -25.200 7.866 663 HB2 CYS 89 HB2 CYS 89 -10.270 -27.768 6.550 664 HB3 CYS 89 HB1 CYS 89 -11.126 -26.787 7.735 665 H THR 90 HN THR 90 -8.810 -26.193 9.827 666 HA THR 90 HA THR 90 -6.453 -27.662 10.095 667 HB THR 90 HB THR 90 -7.349 -26.845 12.117 668 HG1 THR 90 HG1 THR 90 -8.298 -29.396 12.557 669 HG21 THR 90 HG21 THR 90 -9.908 -28.173 11.221 670 HG22 THR 90 HG22 THR 90 -9.619 -26.460 11.525 671 HG23 THR 90 HG23 THR 90 -9.678 -27.598 12.872 672 H ASP 91 HN ASP 91 -9.413 -28.707 8.792 673 HA ASP 91 HA ASP 91 -8.951 -31.577 9.283 674 HB2 ASP 91 HB2 ASP 91 -10.991 -30.010 7.706 675 HB3 ASP 91 HB1 ASP 91 -10.898 -31.767 7.610 676 H CYS 92 HN CYS 92 -8.846 -29.301 6.537 677 HA CYS 92 HA CYS 92 -7.769 -31.305 4.717 678 HB2 CYS 92 HB2 CYS 92 -7.511 -28.331 4.276 679 HB3 CYS 92 HB1 CYS 92 -7.776 -29.607 3.089 680 H TYR 93 HN TYR 93 -6.464 -28.657 6.678 681 HA TYR 93 HA TYR 93 -3.788 -28.735 5.734 682 HB2 TYR 93 HB2 TYR 93 -4.845 -27.050 7.321 683 HB3 TYR 93 HB1 TYR 93 -4.616 -28.237 8.598 684 HD1 TYR 93 HD2 TYR 93 -2.745 -26.411 5.907 685 HD2 TYR 93 HD1 TYR 93 -2.553 -28.419 9.700 686 HE1 TYR 93 HE2 TYR 93 -0.372 -25.733 6.149 687 HE2 TYR 93 HE1 TYR 93 -0.182 -27.750 9.938 688 HH TYR 93 HH TYR 93 1.656 -26.555 7.383 689 H SER 94 HN SER 94 -5.299 -30.446 8.455 690 HA SER 94 HA SER 94 -2.958 -31.928 9.189 691 HB2 SER 94 HB2 SER 94 -5.861 -32.725 9.568 692 HB3 SER 94 HB1 SER 94 -4.481 -33.347 10.469 693 HG SER 94 HG SER 94 -4.119 -31.173 11.173 694 H ASN 95 HN ASN 95 -5.151 -32.229 6.558 695 HA ASN 95 HA ASN 95 -4.784 -35.074 6.099 696 HB2 ASN 95 HB2 ASN 95 -6.688 -33.587 5.217 697 HB3 ASN 95 HB1 ASN 95 -5.536 -33.027 4.004 698 HD21 ASN 95 HD21 ASN 95 -4.544 -34.767 2.589 699 HD22 ASN 95 HD22 ASN 95 -5.448 -36.168 2.269 700 H GLU 96 HN GLU 96 -3.162 -32.117 5.041 701 HA GLU 96 HA GLU 96 -1.263 -33.747 3.394 702 HB2 GLU 96 HB2 GLU 96 -0.493 -31.347 2.715 703 HB3 GLU 96 HB1 GLU 96 -2.022 -31.952 2.080 704 HG2 GLU 96 HG2 GLU 96 -3.300 -30.681 3.620 705 HG3 GLU 96 HG1 GLU 96 -1.901 -30.362 4.645 706 H TYR 97 HN TYR 97 -1.405 -31.402 6.053 707 HA TYR 97 HA TYR 97 1.391 -31.140 6.495 708 HB2 TYR 97 HB2 TYR 97 -0.211 -29.671 7.597 709 HB3 TYR 97 HB1 TYR 97 -0.922 -31.036 8.454 710 HD1 TYR 97 HD2 TYR 97 2.088 -28.901 8.142 711 HD2 TYR 97 HD1 TYR 97 0.148 -32.013 10.378 712 HE1 TYR 97 HE2 TYR 97 3.762 -28.642 9.954 713 HE2 TYR 97 HE1 TYR 97 1.823 -31.755 12.190 714 HH TYR 97 HH TYR 97 3.817 -29.124 12.487 715 H SER 98 HN SER 98 -0.894 -33.651 7.393 716 HA SER 98 HA SER 98 0.902 -34.980 9.254 717 HB2 SER 98 HB2 SER 98 -1.560 -35.275 9.349 718 HB3 SER 98 HB1 SER 98 -1.517 -36.062 7.774 719 HG SER 98 HG SER 98 0.219 -37.025 9.721 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -13.652 32.347 -2.560 2 H2 MET 1 HT2 MET 1 -14.313 32.554 -4.111 3 H3 MET 1 HT3 MET 1 -12.960 33.464 -3.632 4 HA MET 1 HA MET 1 -12.617 30.597 -3.463 5 HB2 MET 1 HB2 MET 1 -14.017 31.159 -5.606 6 HB3 MET 1 HB1 MET 1 -12.517 31.860 -6.206 7 HG2 MET 1 HG2 MET 1 -12.807 29.017 -5.183 8 HG3 MET 1 HG1 MET 1 -12.793 29.477 -6.884 9 HE1 MET 1 HE1 MET 1 -10.895 27.564 -6.907 10 HE2 MET 1 HE2 MET 1 -10.865 27.450 -5.150 11 HE3 MET 1 HE3 MET 1 -9.360 27.687 -6.035 12 H THR 2 HN THR 2 -10.998 31.842 -2.075 13 HA THR 2 HA THR 2 -8.829 33.119 -3.661 14 HB THR 2 HB THR 2 -9.645 34.327 -1.667 15 HG1 THR 2 HG1 THR 2 -7.238 33.600 -0.678 16 HG21 THR 2 HG21 THR 2 -10.165 32.076 -0.468 17 HG22 THR 2 HG22 THR 2 -9.575 33.427 0.500 18 HG23 THR 2 HG23 THR 2 -8.473 32.135 0.028 19 H GLU 3 HN GLU 3 -9.267 30.591 -1.174 20 HA GLU 3 HA GLU 3 -6.548 29.594 -1.607 21 HB2 GLU 3 HB2 GLU 3 -7.066 27.989 0.100 22 HB3 GLU 3 HB1 GLU 3 -7.762 29.519 0.612 23 HG2 GLU 3 HG2 GLU 3 -9.927 28.653 -0.588 24 HG3 GLU 3 HG1 GLU 3 -9.160 27.070 -0.458 25 H ARG 4 HN ARG 4 -6.354 27.149 -1.981 26 HA ARG 4 HA ARG 4 -7.905 26.494 -4.433 27 HB2 ARG 4 HB2 ARG 4 -5.364 25.324 -3.270 28 HB3 ARG 4 HB1 ARG 4 -6.085 24.861 -4.805 29 HG2 ARG 4 HG2 ARG 4 -5.392 27.745 -4.212 30 HG3 ARG 4 HG1 ARG 4 -4.180 26.633 -4.842 31 HD2 ARG 4 HD2 ARG 4 -5.885 26.102 -6.711 32 HD3 ARG 4 HD1 ARG 4 -6.745 27.539 -6.159 33 HE ARG 4 HE ARG 4 -4.140 28.418 -6.508 34 HH11 ARG 4 HH21 ARG 4 -6.498 26.749 -8.390 35 HH12 ARG 4 HH22 ARG 4 -5.936 27.385 -9.900 36 HH21 ARG 4 HH11 ARG 4 -3.392 29.257 -8.469 37 HH22 ARG 4 HH12 ARG 4 -4.177 28.803 -9.945 38 H PHE 5 HN PHE 5 -9.089 24.593 -4.578 39 HA PHE 5 HA PHE 5 -9.384 22.996 -2.054 40 HB2 PHE 5 HB2 PHE 5 -11.305 24.555 -2.994 41 HB3 PHE 5 HB1 PHE 5 -11.564 23.232 -4.121 42 HD1 PHE 5 HD1 PHE 5 -11.145 23.973 -0.490 43 HD2 PHE 5 HD2 PHE 5 -12.840 21.370 -3.446 44 HE1 PHE 5 HE1 PHE 5 -12.358 22.756 1.287 45 HE2 PHE 5 HE2 PHE 5 -14.065 20.144 -1.664 46 HZ PHE 5 HZ PHE 5 -13.819 20.829 0.697 47 H ASP 6 HN ASP 6 -7.481 21.923 -3.313 48 HA ASP 6 HA ASP 6 -8.648 19.698 -4.939 49 HB2 ASP 6 HB2 ASP 6 -5.922 20.866 -5.535 50 HB3 ASP 6 HB1 ASP 6 -6.887 19.775 -6.530 51 H CYS 7 HN CYS 7 -7.631 17.701 -4.648 52 HA CYS 7 HA CYS 7 -6.554 17.207 -2.074 53 HB2 CYS 7 HB2 CYS 7 -7.531 15.386 -3.215 54 HB3 CYS 7 HB1 CYS 7 -6.552 15.641 -4.645 55 H HIS 8 HN HIS 8 -4.719 18.319 -1.527 56 HA HIS 8 HA HIS 8 -2.658 19.275 -3.078 57 HB2 HIS 8 HB2 HIS 8 -2.933 19.584 -0.635 58 HB3 HIS 8 HB1 HIS 8 -2.306 17.979 -0.372 59 HD2 HIS 8 HD2 HIS 8 0.484 17.667 -1.238 60 HE1 HIS 8 HE1 HIS 8 1.242 21.821 -1.195 61 HE2 HIS 8 HE2 HIS 8 2.318 19.524 -1.323 62 H HIS 9 HN HIS 9 -3.295 15.920 -2.408 63 HA HIS 9 HA HIS 9 -0.559 15.130 -3.211 64 HB2 HIS 9 HB2 HIS 9 -1.577 13.881 -1.398 65 HB3 HIS 9 HB1 HIS 9 -2.961 13.477 -2.397 66 HD2 HIS 9 HD2 HIS 9 -1.567 10.803 -1.559 67 HE1 HIS 9 HE1 HIS 9 0.767 11.010 -5.075 68 HE2 HIS 9 HE2 HIS 9 -0.023 9.486 -3.204 69 H CYS 10 HN CYS 10 -3.824 14.083 -4.370 70 HA CYS 10 HA CYS 10 -2.662 13.397 -6.984 71 HB2 CYS 10 HB2 CYS 10 -5.607 13.514 -6.326 72 HB3 CYS 10 HB1 CYS 10 -4.805 12.519 -7.536 73 H ASN 11 HN ASN 11 -3.726 16.173 -5.536 74 HA ASN 11 HA ASN 11 -4.322 18.295 -6.283 75 HB2 ASN 11 HB2 ASN 11 -2.203 18.134 -7.439 76 HB3 ASN 11 HB1 ASN 11 -2.961 17.252 -8.751 77 HD21 ASN 11 HD21 ASN 11 -2.101 19.111 -10.105 78 HD22 ASN 11 HD22 ASN 11 -3.014 20.537 -10.183 79 H GLU 12 HN GLU 12 -6.109 15.846 -6.876 80 HA GLU 12 HA GLU 12 -7.633 16.877 -9.212 81 HB2 GLU 12 HB2 GLU 12 -8.919 14.848 -9.074 82 HB3 GLU 12 HB1 GLU 12 -7.230 14.391 -8.860 83 HG2 GLU 12 HG2 GLU 12 -7.645 14.564 -6.349 84 HG3 GLU 12 HG1 GLU 12 -9.355 14.663 -6.723 85 H SER 13 HN SER 13 -9.528 18.031 -8.955 86 HA SER 13 HA SER 13 -10.174 19.385 -6.607 87 HB2 SER 13 HB2 SER 13 -11.333 20.178 -8.467 88 HB3 SER 13 HB1 SER 13 -11.793 18.560 -8.990 89 HG SER 13 HG SER 13 -13.413 20.031 -7.889 90 H LEU 14 HN LEU 14 -11.228 18.834 -4.697 91 HA LEU 14 HA LEU 14 -11.610 16.099 -4.000 92 HB2 LEU 14 HB2 LEU 14 -12.830 18.611 -2.844 93 HB3 LEU 14 HB1 LEU 14 -13.076 17.031 -2.148 94 HG LEU 14 HG LEU 14 -11.289 18.221 -1.008 95 HD11 LEU 14 HD11 LEU 14 -9.905 16.399 -0.810 96 HD12 LEU 14 HD12 LEU 14 -9.823 16.123 -2.547 97 HD13 LEU 14 HD13 LEU 14 -11.259 15.641 -1.642 98 HD21 LEU 14 HD21 LEU 14 -9.362 19.022 -2.067 99 HD22 LEU 14 HD22 LEU 14 -10.666 19.499 -3.152 100 HD23 LEU 14 HD23 LEU 14 -9.670 18.090 -3.530 101 H PHE 15 HN PHE 15 -13.263 14.746 -4.411 102 HA PHE 15 HA PHE 15 -15.235 15.578 -6.363 103 HB2 PHE 15 HB2 PHE 15 -15.850 13.177 -6.334 104 HB3 PHE 15 HB1 PHE 15 -14.126 13.440 -6.564 105 HD1 PHE 15 HD2 PHE 15 -12.563 13.266 -4.490 106 HD2 PHE 15 HD1 PHE 15 -16.651 11.920 -4.512 107 HE1 PHE 15 HE2 PHE 15 -12.128 11.903 -2.475 108 HE2 PHE 15 HE1 PHE 15 -16.201 10.540 -2.502 109 HZ PHE 15 HZ PHE 15 -13.943 10.533 -1.484 110 H GLY 16 HN GLY 16 -16.852 16.855 -5.466 111 HA2 GLY 16 HA2 GLY 16 -18.804 17.327 -4.239 112 HA3 GLY 16 HA1 GLY 16 -19.164 15.666 -4.676 113 H LYS 17 HN LYS 17 -16.471 15.778 -2.518 114 HA LYS 17 HA LYS 17 -18.366 15.336 -0.208 115 HB2 LYS 17 HB2 LYS 17 -17.749 13.177 -1.157 116 HB3 LYS 17 HB1 LYS 17 -16.038 13.589 -1.030 117 HG2 LYS 17 HG2 LYS 17 -16.056 13.510 1.325 118 HG3 LYS 17 HG1 LYS 17 -17.811 13.664 1.413 119 HD2 LYS 17 HD2 LYS 17 -18.066 11.415 0.440 120 HD3 LYS 17 HD1 LYS 17 -16.313 11.261 0.319 121 HE2 LYS 17 HE2 LYS 17 -16.133 11.510 2.778 122 HE3 LYS 17 HE1 LYS 17 -17.890 11.615 2.886 123 HZ1 LYS 17 HZ1 LYS 17 -17.254 9.362 1.369 124 HZ2 LYS 17 HZ2 LYS 17 -17.975 9.420 2.906 125 HZ3 LYS 17 HZ3 LYS 17 -16.286 9.318 2.760 126 H LYS 18 HN LYS 18 -17.471 15.422 1.876 127 HA LYS 18 HA LYS 18 -15.863 17.646 2.461 128 HB2 LYS 18 HB2 LYS 18 -16.524 15.130 3.992 129 HB3 LYS 18 HB1 LYS 18 -15.430 16.330 4.680 130 HG2 LYS 18 HG2 LYS 18 -17.110 18.040 4.615 131 HG3 LYS 18 HG1 LYS 18 -18.171 17.049 3.619 132 HD2 LYS 18 HD2 LYS 18 -19.113 16.813 5.758 133 HD3 LYS 18 HD1 LYS 18 -18.110 15.373 5.629 134 HE2 LYS 18 HE2 LYS 18 -16.279 16.610 6.819 135 HE3 LYS 18 HE1 LYS 18 -17.393 17.957 7.045 136 HZ1 LYS 18 HZ1 LYS 18 -17.746 16.820 8.965 137 HZ2 LYS 18 HZ2 LYS 18 -17.398 15.304 8.280 138 HZ3 LYS 18 HZ3 LYS 18 -18.899 16.046 7.990 139 H TYR 19 HN TYR 19 -13.643 17.435 3.612 140 HA TYR 19 HA TYR 19 -11.954 15.303 2.390 141 HB2 TYR 19 HB2 TYR 19 -10.417 16.952 1.477 142 HB3 TYR 19 HB1 TYR 19 -12.040 17.249 0.858 143 HD1 TYR 19 HD1 TYR 19 -13.521 18.944 2.166 144 HD2 TYR 19 HD2 TYR 19 -9.256 18.689 2.546 145 HE1 TYR 19 HE1 TYR 19 -13.471 21.239 3.096 146 HE2 TYR 19 HE2 TYR 19 -9.204 20.993 3.473 147 HH TYR 19 HH TYR 19 -11.976 22.602 4.547 148 H ILE 20 HN ILE 20 -9.845 15.162 3.365 149 HA ILE 20 HA ILE 20 -9.827 16.120 6.204 150 HB ILE 20 HB ILE 20 -8.361 13.815 4.887 151 HG12 ILE 20 HG12 ILE 20 -10.586 13.514 6.907 152 HG13 ILE 20 HG11 ILE 20 -10.994 13.766 5.214 153 HG21 ILE 20 HG21 ILE 20 -8.576 14.784 7.745 154 HG22 ILE 20 HG22 ILE 20 -7.114 14.585 6.779 155 HG23 ILE 20 HG23 ILE 20 -8.011 13.168 7.323 156 HD11 ILE 20 HD11 ILE 20 -9.674 11.815 4.562 157 HD12 ILE 20 HD12 ILE 20 -10.854 11.352 5.788 158 HD13 ILE 20 HD13 ILE 20 -9.162 11.575 6.233 159 H LEU 21 HN LEU 21 -8.035 17.268 6.961 160 HA LEU 21 HA LEU 21 -6.094 18.190 4.904 161 HB2 LEU 21 HB2 LEU 21 -6.582 19.099 7.760 162 HB3 LEU 21 HB1 LEU 21 -5.312 19.742 6.714 163 HG LEU 21 HG LEU 21 -7.375 21.158 6.780 164 HD11 LEU 21 HD11 LEU 21 -5.746 20.835 4.737 165 HD12 LEU 21 HD12 LEU 21 -7.249 21.727 4.529 166 HD13 LEU 21 HD13 LEU 21 -7.141 20.057 3.999 167 HD21 LEU 21 HD21 LEU 21 -9.443 20.420 5.939 168 HD22 LEU 21 HD22 LEU 21 -8.886 19.041 6.883 169 HD23 LEU 21 HD23 LEU 21 -8.729 19.030 5.124 170 H ARG 22 HN ARG 22 -4.316 16.959 4.708 171 HA ARG 22 HA ARG 22 -3.162 15.650 7.151 172 HB2 ARG 22 HB2 ARG 22 -3.948 14.196 5.174 173 HB3 ARG 22 HB1 ARG 22 -2.601 14.899 4.282 174 HG2 ARG 22 HG2 ARG 22 -1.668 12.937 5.163 175 HG3 ARG 22 HG1 ARG 22 -1.153 14.158 6.314 176 HD2 ARG 22 HD2 ARG 22 -3.427 13.489 7.537 177 HD3 ARG 22 HD1 ARG 22 -3.223 12.014 6.618 178 HE ARG 22 HE ARG 22 -0.747 12.397 7.791 179 HH11 ARG 22 HH21 ARG 22 -4.029 12.266 8.836 180 HH12 ARG 22 HH22 ARG 22 -3.647 11.632 10.402 181 HH21 ARG 22 HH11 ARG 22 -0.226 11.569 9.831 182 HH22 ARG 22 HH12 ARG 22 -1.492 11.237 10.965 183 H GLU 23 HN GLU 23 -1.029 16.159 7.662 184 HA GLU 23 HA GLU 23 0.884 17.539 7.657 185 HB2 GLU 23 HB2 GLU 23 0.594 16.863 4.713 186 HB3 GLU 23 HB1 GLU 23 1.979 17.736 5.368 187 HG2 GLU 23 HG2 GLU 23 2.311 15.810 6.978 188 HG3 GLU 23 HG1 GLU 23 1.085 14.928 6.066 189 H GLU 24 HN GLU 24 -1.758 18.747 7.502 190 HA GLU 24 HA GLU 24 -2.697 20.868 7.245 191 HB2 GLU 24 HB2 GLU 24 0.020 21.863 6.370 192 HB3 GLU 24 HB1 GLU 24 -1.260 22.751 7.193 193 HG2 GLU 24 HG2 GLU 24 -0.950 21.093 9.130 194 HG3 GLU 24 HG1 GLU 24 0.549 20.614 8.332 195 H SER 25 HN SER 25 -2.794 19.018 5.054 196 HA SER 25 HA SER 25 -3.126 20.962 2.863 197 HB2 SER 25 HB2 SER 25 -1.714 18.384 2.241 198 HB3 SER 25 HB1 SER 25 -1.735 19.882 1.317 199 HG SER 25 HG SER 25 0.217 19.739 2.384 200 HA PRO 26 HA PRO 26 -6.835 18.481 2.400 201 HB2 PRO 26 HB2 PRO 26 -7.321 19.161 -0.324 202 HB3 PRO 26 HB1 PRO 26 -7.986 19.979 1.093 203 HG2 PRO 26 HG2 PRO 26 -5.848 20.878 -0.722 204 HG3 PRO 26 HG1 PRO 26 -6.766 21.816 0.462 205 HD2 PRO 26 HD2 PRO 26 -4.069 20.984 0.736 206 HD3 PRO 26 HD1 PRO 26 -5.099 21.640 2.024 207 H TYR 27 HN TYR 27 -6.877 16.332 2.036 208 HA TYR 27 HA TYR 27 -5.492 15.205 -0.380 209 HB2 TYR 27 HB2 TYR 27 -5.628 14.238 2.484 210 HB3 TYR 27 HB1 TYR 27 -5.509 13.059 1.195 211 HD1 TYR 27 HD2 TYR 27 -3.617 15.912 0.120 212 HD2 TYR 27 HD1 TYR 27 -3.520 12.602 2.850 213 HE1 TYR 27 HE2 TYR 27 -1.170 16.058 0.198 214 HE2 TYR 27 HE1 TYR 27 -1.049 12.765 2.937 215 HH TYR 27 HH TYR 27 0.752 13.779 2.144 216 H CYS 28 HN CYS 28 -6.791 13.729 -1.552 217 HA CYS 28 HA CYS 28 -9.635 13.974 -1.140 218 HB2 CYS 28 HB2 CYS 28 -9.852 12.251 -2.890 219 HB3 CYS 28 HB1 CYS 28 -8.700 13.478 -3.375 220 H VAL 29 HN VAL 29 -11.077 12.354 -0.311 221 HA VAL 29 HA VAL 29 -10.427 11.068 2.042 222 HB VAL 29 HB VAL 29 -12.285 9.830 0.003 223 HG11 VAL 29 HG11 VAL 29 -11.807 8.709 2.216 224 HG12 VAL 29 HG12 VAL 29 -13.503 9.107 1.934 225 HG13 VAL 29 HG13 VAL 29 -12.524 10.116 3.000 226 HG21 VAL 29 HG21 VAL 29 -12.596 12.326 1.683 227 HG22 VAL 29 HG22 VAL 29 -13.985 11.420 1.085 228 HG23 VAL 29 HG23 VAL 29 -12.850 12.144 -0.053 229 H VAL 30 HN VAL 30 -10.428 9.575 -1.176 230 HA VAL 30 HA VAL 30 -9.514 7.027 -0.606 231 HB VAL 30 HB VAL 30 -8.415 8.647 -2.906 232 HG11 VAL 30 HG11 VAL 30 -8.480 6.528 -4.062 233 HG12 VAL 30 HG12 VAL 30 -9.348 5.773 -2.725 234 HG13 VAL 30 HG13 VAL 30 -7.669 6.274 -2.517 235 HG21 VAL 30 HG21 VAL 30 -10.566 7.869 -4.063 236 HG22 VAL 30 HG22 VAL 30 -10.742 9.184 -2.902 237 HG23 VAL 30 HG23 VAL 30 -11.194 7.541 -2.448 238 H CYS 31 HN CYS 31 -7.374 9.851 -1.289 239 HA CYS 31 HA CYS 31 -4.904 8.638 -0.928 240 HB2 CYS 31 HB2 CYS 31 -5.926 11.383 -0.413 241 HB3 CYS 31 HB1 CYS 31 -4.400 10.972 0.361 242 H PHE 32 HN PHE 32 -6.580 10.349 1.715 243 HA PHE 32 HA PHE 32 -5.046 9.500 3.862 244 HB2 PHE 32 HB2 PHE 32 -7.060 11.036 3.935 245 HB3 PHE 32 HB1 PHE 32 -8.076 9.595 3.929 246 HD1 PHE 32 HD1 PHE 32 -7.750 7.863 5.771 247 HD2 PHE 32 HD2 PHE 32 -6.050 11.804 5.931 248 HE1 PHE 32 HE1 PHE 32 -7.442 7.633 8.225 249 HE2 PHE 32 HE2 PHE 32 -5.737 11.576 8.377 250 HZ PHE 32 HZ PHE 32 -6.435 9.490 9.527 251 H GLU 33 HN GLU 33 -7.757 7.651 2.418 252 HA GLU 33 HA GLU 33 -7.464 5.435 4.230 253 HB2 GLU 33 HB2 GLU 33 -8.746 5.618 1.501 254 HB3 GLU 33 HB1 GLU 33 -8.927 4.261 2.612 255 HG2 GLU 33 HG2 GLU 33 -9.545 7.082 3.489 256 HG3 GLU 33 HG1 GLU 33 -10.742 6.101 2.657 257 H THR 34 HN THR 34 -6.781 5.508 0.707 258 HA THR 34 HA THR 34 -5.385 3.100 0.570 259 HB THR 34 HB THR 34 -6.055 4.830 -1.284 260 HG1 THR 34 HG1 THR 34 -5.335 2.987 -2.052 261 HG21 THR 34 HG21 THR 34 -4.316 6.210 -2.125 262 HG22 THR 34 HG22 THR 34 -3.114 5.467 -1.069 263 HG23 THR 34 HG23 THR 34 -4.359 6.510 -0.392 264 H LEU 35 HN LEU 35 -4.016 6.293 1.359 265 HA LEU 35 HA LEU 35 -1.302 5.546 1.478 266 HB2 LEU 35 HB2 LEU 35 -2.829 7.545 3.151 267 HB3 LEU 35 HB1 LEU 35 -1.076 7.416 3.146 268 HG LEU 35 HG LEU 35 -2.654 7.828 0.597 269 HD11 LEU 35 HD11 LEU 35 -1.447 9.944 2.394 270 HD12 LEU 35 HD12 LEU 35 -3.173 9.653 2.175 271 HD13 LEU 35 HD13 LEU 35 -2.196 10.225 0.822 272 HD21 LEU 35 HD21 LEU 35 0.248 8.123 1.421 273 HD22 LEU 35 HD22 LEU 35 -0.387 8.917 -0.017 274 HD23 LEU 35 HD23 LEU 35 -0.421 7.163 0.102 275 H PHE 36 HN PHE 36 -3.531 5.724 4.281 276 HA PHE 36 HA PHE 36 -1.616 4.046 5.823 277 HB2 PHE 36 HB2 PHE 36 -4.144 5.172 6.987 278 HB3 PHE 36 HB1 PHE 36 -2.565 4.957 7.735 279 HD1 PHE 36 HD2 PHE 36 -0.809 6.209 5.636 280 HD2 PHE 36 HD1 PHE 36 -4.561 7.479 7.300 281 HE1 PHE 36 HE2 PHE 36 -0.250 8.560 5.100 282 HE2 PHE 36 HE1 PHE 36 -3.996 9.827 6.763 283 HZ PHE 36 HZ PHE 36 -1.843 10.372 5.664 284 H ALA 37 HN ALA 37 -4.259 3.421 3.890 285 HA ALA 37 HA ALA 37 -5.836 1.655 5.456 286 HB1 ALA 37 HB1 ALA 37 -6.758 2.150 3.359 287 HB2 ALA 37 HB2 ALA 37 -6.204 0.493 3.136 288 HB3 ALA 37 HB3 ALA 37 -5.244 1.835 2.513 289 H ASN 38 HN ASN 38 -5.853 -0.740 5.346 290 HA ASN 38 HA ASN 38 -3.155 -1.819 5.789 291 HB2 ASN 38 HB2 ASN 38 -5.920 -3.042 6.021 292 HB3 ASN 38 HB1 ASN 38 -4.428 -3.879 6.426 293 HD21 ASN 38 HD21 ASN 38 -3.230 -1.269 7.483 294 HD22 ASN 38 HD22 ASN 38 -3.963 -1.049 8.996 295 H THR 39 HN THR 39 -2.370 -3.719 4.635 296 HA THR 39 HA THR 39 -3.305 -3.770 1.810 297 HB THR 39 HB THR 39 -0.927 -5.273 2.918 298 HG1 THR 39 HG1 THR 39 -1.007 -2.932 3.454 299 HG21 THR 39 HG21 THR 39 -1.792 -5.634 0.566 300 HG22 THR 39 HG22 THR 39 -0.117 -5.089 0.659 301 HG23 THR 39 HG23 THR 39 -1.393 -3.948 0.234 302 H CYS 40 HN CYS 40 -4.285 -5.553 0.913 303 HA CYS 40 HA CYS 40 -5.047 -7.763 2.737 304 HB2 CYS 40 HB2 CYS 40 -6.861 -6.993 1.408 305 HB3 CYS 40 HB1 CYS 40 -5.883 -6.942 -0.054 306 H GLU 41 HN GLU 41 -3.410 -9.143 2.982 307 HA GLU 41 HA GLU 41 -1.268 -9.727 1.344 308 HB2 GLU 41 HB2 GLU 41 -2.820 -11.733 2.998 309 HB3 GLU 41 HB1 GLU 41 -1.136 -11.874 2.498 310 HG2 GLU 41 HG2 GLU 41 -0.549 -9.873 3.776 311 HG3 GLU 41 HG1 GLU 41 -2.235 -9.622 4.212 312 H GLU 42 HN GLU 42 -4.576 -10.513 0.715 313 HA GLU 42 HA GLU 42 -3.874 -12.628 -1.237 314 HB2 GLU 42 HB2 GLU 42 -6.015 -12.528 0.281 315 HB3 GLU 42 HB1 GLU 42 -6.630 -11.428 -0.950 316 HG2 GLU 42 HG2 GLU 42 -5.574 -14.220 -1.486 317 HG3 GLU 42 HG1 GLU 42 -7.280 -13.781 -1.397 318 H CYS 43 HN CYS 43 -5.759 -9.574 -1.451 319 HA CYS 43 HA CYS 43 -5.362 -9.425 -4.330 320 HB2 CYS 43 HB2 CYS 43 -6.277 -7.240 -2.436 321 HB3 CYS 43 HB1 CYS 43 -6.522 -7.294 -4.181 322 H GLY 44 HN GLY 44 -4.001 -7.752 -1.505 323 HA2 GLY 44 HA2 GLY 44 -1.736 -6.945 -1.380 324 HA3 GLY 44 HA1 GLY 44 -1.636 -7.004 -3.142 325 H LYS 45 HN LYS 45 -4.538 -5.726 -2.808 326 HA LYS 45 HA LYS 45 -3.553 -2.979 -3.134 327 HB2 LYS 45 HB2 LYS 45 -6.221 -4.342 -3.487 328 HB3 LYS 45 HB1 LYS 45 -6.100 -2.585 -3.517 329 HG2 LYS 45 HG2 LYS 45 -4.507 -2.683 -5.363 330 HG3 LYS 45 HG1 LYS 45 -4.489 -4.446 -5.289 331 HD2 LYS 45 HD2 LYS 45 -7.034 -4.315 -5.682 332 HD3 LYS 45 HD1 LYS 45 -6.754 -2.635 -6.140 333 HE2 LYS 45 HE2 LYS 45 -5.774 -5.143 -7.484 334 HE3 LYS 45 HE1 LYS 45 -6.600 -3.756 -8.195 335 HZ1 LYS 45 HZ1 LYS 45 -3.785 -4.036 -7.402 336 HZ2 LYS 45 HZ2 LYS 45 -4.503 -2.496 -7.378 337 HZ3 LYS 45 HZ3 LYS 45 -4.442 -3.386 -8.824 338 HA PRO 46 HA PRO 46 -4.420 -1.707 1.025 339 HB2 PRO 46 HB2 PRO 46 -5.768 0.762 0.318 340 HB3 PRO 46 HB1 PRO 46 -4.108 0.559 0.894 341 HG2 PRO 46 HG2 PRO 46 -5.002 1.186 -1.792 342 HG3 PRO 46 HG1 PRO 46 -3.338 1.034 -1.207 343 HD2 PRO 46 HD2 PRO 46 -4.757 -0.794 -2.904 344 HD3 PRO 46 HD1 PRO 46 -3.123 -0.987 -2.239 345 H ILE 47 HN ILE 47 -6.164 -1.955 2.471 346 HA ILE 47 HA ILE 47 -8.835 -2.503 1.250 347 HB ILE 47 HB ILE 47 -7.986 -3.057 4.104 348 HG12 ILE 47 HG12 ILE 47 -7.718 -4.849 1.666 349 HG13 ILE 47 HG11 ILE 47 -6.390 -4.177 2.602 350 HG21 ILE 47 HG21 ILE 47 -9.809 -4.669 4.026 351 HG22 ILE 47 HG22 ILE 47 -10.052 -4.364 2.310 352 HG23 ILE 47 HG23 ILE 47 -10.420 -3.107 3.487 353 HD11 ILE 47 HD11 ILE 47 -6.507 -6.196 3.677 354 HD12 ILE 47 HD12 ILE 47 -8.198 -6.442 3.248 355 HD13 ILE 47 HD13 ILE 47 -7.777 -5.391 4.598 356 H GLY 48 HN GLY 48 -9.950 -0.586 1.155 357 HA2 GLY 48 HA2 GLY 48 -9.566 1.581 3.005 358 HA3 GLY 48 HA1 GLY 48 -10.902 1.445 1.866 359 H CYS 49 HN CYS 49 -11.425 2.460 4.343 360 HA CYS 49 HA CYS 49 -12.389 0.319 6.114 361 HB2 CYS 49 HB2 CYS 49 -12.991 2.084 7.611 362 HB3 CYS 49 HB1 CYS 49 -11.457 2.566 6.888 363 HG CYS 49 HG CYS 49 -12.798 4.167 5.280 364 H ASP 50 HN ASP 50 -13.596 2.262 3.517 365 HA ASP 50 HA ASP 50 -16.411 2.029 4.207 366 HB2 ASP 50 HB2 ASP 50 -15.549 3.816 2.712 367 HB3 ASP 50 HB1 ASP 50 -15.107 2.589 1.524 368 H CYS 51 HN CYS 51 -14.733 -0.457 4.124 369 HA CYS 51 HA CYS 51 -16.603 -2.064 2.479 370 HB2 CYS 51 HB2 CYS 51 -13.591 -2.080 2.133 371 HB3 CYS 51 HB1 CYS 51 -14.649 -3.354 1.527 372 HG CYS 51 HG CYS 51 -14.130 -0.910 0.016 373 H LYS 52 HN LYS 52 -15.763 -4.527 2.822 374 HA LYS 52 HA LYS 52 -15.826 -4.902 5.733 375 HB2 LYS 52 HB2 LYS 52 -15.726 -7.424 4.823 376 HB3 LYS 52 HB1 LYS 52 -17.216 -6.487 4.789 377 HG2 LYS 52 HG2 LYS 52 -15.346 -6.265 2.443 378 HG3 LYS 52 HG1 LYS 52 -16.322 -7.716 2.607 379 HD2 LYS 52 HD2 LYS 52 -17.658 -5.033 2.887 380 HD3 LYS 52 HD1 LYS 52 -17.271 -5.636 1.278 381 HE2 LYS 52 HE2 LYS 52 -18.717 -7.406 3.243 382 HE3 LYS 52 HE1 LYS 52 -19.605 -6.205 2.304 383 HZ1 LYS 52 HZ1 LYS 52 -18.485 -8.698 1.467 384 HZ2 LYS 52 HZ2 LYS 52 -17.979 -7.411 0.480 385 HZ3 LYS 52 HZ3 LYS 52 -19.636 -7.719 0.697 386 H ASP 53 HN ASP 53 -13.812 -4.481 6.628 387 HA ASP 53 HA ASP 53 -11.404 -5.710 5.365 388 HB2 ASP 53 HB2 ASP 53 -10.161 -4.315 7.032 389 HB3 ASP 53 HB1 ASP 53 -11.177 -3.360 5.952 390 H LEU 54 HN LEU 54 -11.270 -7.829 6.013 391 HA LEU 54 HA LEU 54 -12.070 -8.673 8.667 392 HB2 LEU 54 HB2 LEU 54 -11.887 -9.964 6.297 393 HB3 LEU 54 HB1 LEU 54 -10.314 -10.391 6.933 394 HG LEU 54 HG LEU 54 -12.980 -11.454 7.624 395 HD11 LEU 54 HD11 LEU 54 -11.551 -13.328 8.518 396 HD12 LEU 54 HD12 LEU 54 -10.139 -12.385 8.051 397 HD13 LEU 54 HD13 LEU 54 -11.289 -12.918 6.828 398 HD21 LEU 54 HD21 LEU 54 -12.201 -11.933 10.072 399 HD22 LEU 54 HD22 LEU 54 -12.978 -10.398 9.728 400 HD23 LEU 54 HD23 LEU 54 -11.225 -10.487 9.876 401 H SER 55 HN SER 55 -10.756 -8.611 10.472 402 HA SER 55 HA SER 55 -7.795 -8.294 10.056 403 HB2 SER 55 HB2 SER 55 -9.246 -7.437 12.551 404 HB3 SER 55 HB1 SER 55 -7.697 -6.880 11.923 405 HG SER 55 HG SER 55 -8.716 -5.473 10.743 406 H TYR 56 HN TYR 56 -6.594 -9.979 10.793 407 HA TYR 56 HA TYR 56 -7.528 -11.526 13.146 408 HB2 TYR 56 HB2 TYR 56 -8.300 -12.501 10.789 409 HB3 TYR 56 HB1 TYR 56 -6.642 -13.093 10.731 410 HD1 TYR 56 HD1 TYR 56 -5.782 -14.428 12.725 411 HD2 TYR 56 HD2 TYR 56 -9.939 -13.632 12.079 412 HE1 TYR 56 HE1 TYR 56 -6.365 -16.298 14.248 413 HE2 TYR 56 HE2 TYR 56 -10.533 -15.500 13.599 414 HH TYR 56 HH TYR 56 -8.158 -17.749 14.763 415 H LYS 57 HN LYS 57 -5.803 -12.173 14.396 416 HA LYS 57 HA LYS 57 -3.586 -12.136 15.165 417 HB2 LYS 57 HB2 LYS 57 -3.714 -14.182 13.665 418 HB3 LYS 57 HB1 LYS 57 -2.964 -13.205 12.408 419 HG2 LYS 57 HG2 LYS 57 -0.991 -12.861 13.777 420 HG3 LYS 57 HG1 LYS 57 -1.772 -13.612 15.166 421 HD2 LYS 57 HD2 LYS 57 -1.957 -15.733 13.820 422 HD3 LYS 57 HD1 LYS 57 -0.977 -14.961 12.573 423 HE2 LYS 57 HE2 LYS 57 -0.186 -15.704 15.387 424 HE3 LYS 57 HE1 LYS 57 0.603 -16.142 13.872 425 HZ1 LYS 57 HZ1 LYS 57 1.951 -14.453 14.467 426 HZ2 LYS 57 HZ2 LYS 57 0.772 -13.678 15.414 427 HZ3 LYS 57 HZ3 LYS 57 0.755 -13.509 13.723 428 H ASP 58 HN ASP 58 -4.189 -9.627 14.512 429 HA ASP 58 HA ASP 58 -3.291 -7.568 13.861 430 HB2 ASP 58 HB2 ASP 58 -1.411 -8.513 15.231 431 HB3 ASP 58 HB1 ASP 58 -0.690 -9.109 13.736 432 H ARG 59 HN ARG 59 -3.812 -9.859 11.704 433 HA ARG 59 HA ARG 59 -2.371 -8.485 9.454 434 HB2 ARG 59 HB2 ARG 59 -3.578 -11.263 9.622 435 HB3 ARG 59 HB1 ARG 59 -2.930 -10.549 8.148 436 HG2 ARG 59 HG2 ARG 59 -0.733 -10.426 9.065 437 HG3 ARG 59 HG1 ARG 59 -1.306 -10.771 10.683 438 HD2 ARG 59 HD2 ARG 59 -2.002 -13.008 9.954 439 HD3 ARG 59 HD1 ARG 59 -1.416 -12.672 8.329 440 HE ARG 59 HE ARG 59 0.138 -13.515 10.614 441 HH11 ARG 59 HH21 ARG 59 0.268 -11.382 7.908 442 HH12 ARG 59 HH22 ARG 59 1.992 -11.226 7.965 443 HH21 ARG 59 HH11 ARG 59 2.364 -13.329 10.690 444 HH22 ARG 59 HH12 ARG 59 3.175 -12.327 9.534 445 H HIS 60 HN HIS 60 -3.740 -8.382 7.405 446 HA HIS 60 HA HIS 60 -6.627 -7.878 8.090 447 HB2 HIS 60 HB2 HIS 60 -4.793 -6.267 6.292 448 HB3 HIS 60 HB1 HIS 60 -6.530 -6.012 6.440 449 HD2 HIS 60 HD2 HIS 60 -7.336 -5.308 9.208 450 HE1 HIS 60 HE1 HIS 60 -3.501 -3.832 10.176 451 HE2 HIS 60 HE2 HIS 60 -5.929 -3.918 10.913 452 H TRP 61 HN TRP 61 -8.138 -8.367 6.455 453 HA TRP 61 HA TRP 61 -7.261 -9.481 3.883 454 HB2 TRP 61 HB2 TRP 61 -8.089 -11.179 6.210 455 HB3 TRP 61 HB1 TRP 61 -8.760 -11.630 4.650 456 HD1 TRP 61 HD1 TRP 61 -6.639 -11.565 2.631 457 HE1 TRP 61 HE1 TRP 61 -4.422 -12.872 2.823 458 HE3 TRP 61 HE3 TRP 61 -6.423 -12.217 7.694 459 HZ2 TRP 61 HZ2 TRP 61 -2.770 -14.024 4.849 460 HZ3 TRP 61 HZ3 TRP 61 -4.516 -13.416 8.726 461 HH2 TRP 61 HH2 TRP 61 -2.693 -14.323 7.310 462 H HIS 62 HN HIS 62 -9.069 -9.641 2.414 463 HA HIS 62 HA HIS 62 -11.407 -8.049 3.173 464 HB2 HIS 62 HB2 HIS 62 -10.719 -9.693 0.721 465 HB3 HIS 62 HB1 HIS 62 -12.280 -8.918 0.908 466 HD2 HIS 62 HD2 HIS 62 -11.872 -5.956 1.465 467 HE1 HIS 62 HE1 HIS 62 -8.491 -5.897 -1.061 468 HE2 HIS 62 HE2 HIS 62 -10.218 -4.456 0.114 469 H GLU 63 HN GLU 63 -13.279 -8.960 4.093 470 HA GLU 63 HA GLU 63 -13.421 -11.466 5.249 471 HB2 GLU 63 HB2 GLU 63 -15.562 -9.679 4.101 472 HB3 GLU 63 HB1 GLU 63 -16.011 -11.257 4.746 473 HG2 GLU 63 HG2 GLU 63 -15.065 -10.707 6.909 474 HG3 GLU 63 HG1 GLU 63 -14.418 -9.188 6.288 475 H ALA 64 HN ALA 64 -13.780 -10.743 1.837 476 HA ALA 64 HA ALA 64 -14.810 -13.448 1.225 477 HB1 ALA 64 HB1 ALA 64 -15.652 -11.462 -0.005 478 HB2 ALA 64 HB2 ALA 64 -14.919 -12.654 -1.080 479 HB3 ALA 64 HB3 ALA 64 -14.029 -11.195 -0.644 480 H CYS 65 HN CYS 65 -11.725 -11.828 1.339 481 HA CYS 65 HA CYS 65 -10.427 -13.656 -0.553 482 HB2 CYS 65 HB2 CYS 65 -9.438 -11.520 1.323 483 HB3 CYS 65 HB1 CYS 65 -8.314 -12.592 0.495 484 H PHE 66 HN PHE 66 -10.880 -13.483 2.916 485 HA PHE 66 HA PHE 66 -8.916 -15.510 3.553 486 HB2 PHE 66 HB2 PHE 66 -10.142 -13.671 5.012 487 HB3 PHE 66 HB1 PHE 66 -11.316 -14.952 5.280 488 HD1 PHE 66 HD2 PHE 66 -10.010 -17.363 5.673 489 HD2 PHE 66 HD1 PHE 66 -8.557 -13.466 6.699 490 HE1 PHE 66 HE2 PHE 66 -8.524 -18.374 7.366 491 HE2 PHE 66 HE1 PHE 66 -7.058 -14.473 8.401 492 HZ PHE 66 HZ PHE 66 -7.042 -16.931 8.730 493 H HIS 67 HN HIS 67 -9.234 -17.467 2.499 494 HA HIS 67 HA HIS 67 -11.648 -18.983 3.231 495 HB2 HIS 67 HB2 HIS 67 -11.993 -19.637 0.788 496 HB3 HIS 67 HB1 HIS 67 -12.468 -17.994 1.215 497 HD2 HIS 67 HD2 HIS 67 -11.836 -17.268 -1.545 498 HE1 HIS 67 HE1 HIS 67 -7.663 -17.559 -0.976 499 HE2 HIS 67 HE2 HIS 67 -9.483 -16.735 -2.543 500 H CYS 68 HN CYS 68 -11.477 -21.287 2.175 501 HA CYS 68 HA CYS 68 -8.798 -22.307 2.835 502 HB2 CYS 68 HB2 CYS 68 -10.621 -23.644 3.643 503 HB3 CYS 68 HB1 CYS 68 -11.412 -23.642 2.072 504 H SER 69 HN SER 69 -7.395 -23.294 1.334 505 HA SER 69 HA SER 69 -7.601 -22.351 -1.393 506 HB2 SER 69 HB2 SER 69 -5.470 -22.832 -0.025 507 HB3 SER 69 HB1 SER 69 -5.735 -24.522 -0.430 508 HG SER 69 HG SER 69 -5.758 -23.858 -2.649 509 H GLN 70 HN GLN 70 -8.591 -25.285 0.222 510 HA GLN 70 HA GLN 70 -8.916 -26.715 -2.373 511 HB2 GLN 70 HB2 GLN 70 -9.487 -27.754 0.410 512 HB3 GLN 70 HB1 GLN 70 -9.279 -28.697 -1.065 513 HG2 GLN 70 HG2 GLN 70 -7.083 -26.912 -0.027 514 HG3 GLN 70 HG1 GLN 70 -7.263 -28.559 0.551 515 HE21 GLN 70 HE21 GLN 70 -5.633 -26.756 -1.694 516 HE22 GLN 70 HE22 GLN 70 -5.366 -27.943 -2.870 517 H CYS 71 HN CYS 71 -10.879 -25.848 0.477 518 HA CYS 71 HA CYS 71 -13.345 -26.557 -1.022 519 HB2 CYS 71 HB2 CYS 71 -13.312 -25.383 1.755 520 HB3 CYS 71 HB1 CYS 71 -14.464 -26.510 1.034 521 H ARG 72 HN ARG 72 -11.445 -23.830 -0.778 522 HA ARG 72 HA ARG 72 -11.863 -21.540 -1.027 523 HB2 ARG 72 HB2 ARG 72 -14.035 -22.783 -2.737 524 HB3 ARG 72 HB1 ARG 72 -13.662 -21.068 -2.726 525 HG2 ARG 72 HG2 ARG 72 -12.309 -21.701 -4.496 526 HG3 ARG 72 HG1 ARG 72 -11.169 -21.962 -3.182 527 HD2 ARG 72 HD2 ARG 72 -11.728 -24.341 -3.121 528 HD3 ARG 72 HD1 ARG 72 -12.979 -24.106 -4.341 529 HE ARG 72 HE ARG 72 -10.660 -23.143 -5.538 530 HH11 ARG 72 HH21 ARG 72 -11.697 -26.063 -4.024 531 HH12 ARG 72 HH22 ARG 72 -10.660 -27.076 -4.972 532 HH21 ARG 72 HH11 ARG 72 -9.303 -24.452 -6.784 533 HH22 ARG 72 HH12 ARG 72 -9.307 -26.166 -6.532 534 H ASN 73 HN ASN 73 -13.438 -23.171 1.081 535 HA ASN 73 HA ASN 73 -15.943 -21.783 1.442 536 HB2 ASN 73 HB2 ASN 73 -14.106 -23.303 3.297 537 HB3 ASN 73 HB1 ASN 73 -15.570 -22.518 3.891 538 HD21 ASN 73 HD21 ASN 73 -17.370 -22.996 1.853 539 HD22 ASN 73 HD22 ASN 73 -17.613 -24.663 1.663 540 H SER 74 HN SER 74 -16.312 -19.953 2.866 541 HA SER 74 HA SER 74 -13.968 -18.155 3.014 542 HB2 SER 74 HB2 SER 74 -16.817 -17.646 3.918 543 HB3 SER 74 HB1 SER 74 -15.564 -16.440 3.639 544 HG SER 74 HG SER 74 -15.876 -16.601 1.550 545 H LEU 75 HN LEU 75 -12.650 -18.925 4.715 546 HA LEU 75 HA LEU 75 -13.858 -19.643 7.289 547 HB2 LEU 75 HB2 LEU 75 -10.924 -19.158 6.786 548 HB3 LEU 75 HB1 LEU 75 -11.661 -20.181 8.005 549 HG LEU 75 HG LEU 75 -12.133 -20.780 5.081 550 HD11 LEU 75 HD11 LEU 75 -9.846 -20.804 4.886 551 HD12 LEU 75 HD12 LEU 75 -10.091 -22.426 5.525 552 HD13 LEU 75 HD13 LEU 75 -9.581 -21.128 6.595 553 HD21 LEU 75 HD21 LEU 75 -11.861 -22.499 7.555 554 HD22 LEU 75 HD22 LEU 75 -12.345 -23.051 5.951 555 HD23 LEU 75 HD23 LEU 75 -13.389 -21.957 6.860 556 H VAL 76 HN VAL 76 -14.522 -18.040 8.608 557 HA VAL 76 HA VAL 76 -12.737 -15.710 9.058 558 HB VAL 76 HB VAL 76 -15.696 -15.582 8.380 559 HG11 VAL 76 HG11 VAL 76 -15.352 -13.093 8.847 560 HG12 VAL 76 HG12 VAL 76 -13.869 -13.554 9.684 561 HG13 VAL 76 HG13 VAL 76 -15.429 -14.138 10.266 562 HG21 VAL 76 HG21 VAL 76 -14.810 -13.872 6.736 563 HG22 VAL 76 HG22 VAL 76 -14.258 -15.519 6.431 564 HG23 VAL 76 HG23 VAL 76 -13.181 -14.357 7.203 565 H ASP 77 HN ASP 77 -12.518 -15.427 11.268 566 HA ASP 77 HA ASP 77 -12.820 -15.923 13.551 567 HB2 ASP 77 HB2 ASP 77 -14.733 -14.424 13.305 568 HB3 ASP 77 HB1 ASP 77 -15.717 -15.737 12.660 569 H LYS 78 HN LYS 78 -13.052 -18.070 11.271 570 HA LYS 78 HA LYS 78 -14.191 -20.280 12.938 571 HB2 LYS 78 HB2 LYS 78 -14.033 -19.737 9.993 572 HB3 LYS 78 HB1 LYS 78 -13.917 -21.420 10.496 573 HG2 LYS 78 HG2 LYS 78 -16.035 -21.166 11.769 574 HG3 LYS 78 HG1 LYS 78 -16.164 -19.503 11.200 575 HD2 LYS 78 HD2 LYS 78 -15.831 -21.711 9.175 576 HD3 LYS 78 HD1 LYS 78 -17.412 -21.459 9.908 577 HE2 LYS 78 HE2 LYS 78 -15.813 -19.271 8.554 578 HE3 LYS 78 HE1 LYS 78 -17.090 -20.194 7.767 579 HZ1 LYS 78 HZ1 LYS 78 -17.530 -18.742 10.307 580 HZ2 LYS 78 HZ2 LYS 78 -18.692 -19.348 9.227 581 HZ3 LYS 78 HZ3 LYS 78 -17.748 -18.002 8.797 582 HA PRO 79 HA PRO 79 -10.076 -21.831 13.432 583 HB2 PRO 79 HB2 PRO 79 -10.563 -24.594 12.892 584 HB3 PRO 79 HB1 PRO 79 -10.579 -23.808 14.475 585 HG2 PRO 79 HG2 PRO 79 -12.860 -24.726 12.859 586 HG3 PRO 79 HG1 PRO 79 -12.832 -24.250 14.563 587 HD2 PRO 79 HD2 PRO 79 -13.930 -22.732 12.428 588 HD3 PRO 79 HD1 PRO 79 -13.601 -22.151 14.074 589 H PHE 80 HN PHE 80 -8.318 -21.979 12.035 590 HA PHE 80 HA PHE 80 -8.608 -23.320 9.421 591 HB2 PHE 80 HB2 PHE 80 -7.779 -21.362 8.146 592 HB3 PHE 80 HB1 PHE 80 -9.355 -21.046 8.884 593 HD1 PHE 80 HD1 PHE 80 -5.670 -20.522 9.342 594 HD2 PHE 80 HD2 PHE 80 -9.629 -19.245 10.388 595 HE1 PHE 80 HE1 PHE 80 -4.732 -18.562 10.535 596 HE2 PHE 80 HE2 PHE 80 -8.692 -17.291 11.585 597 HZ PHE 80 HZ PHE 80 -6.237 -16.948 11.656 598 H ALA 81 HN ALA 81 -6.589 -23.854 8.490 599 HA ALA 81 HA ALA 81 -4.315 -23.722 10.403 600 HB1 ALA 81 HB1 ALA 81 -3.383 -25.541 9.230 601 HB2 ALA 81 HB2 ALA 81 -4.296 -25.188 7.763 602 HB3 ALA 81 HB3 ALA 81 -5.112 -25.879 9.166 603 H ALA 82 HN ALA 82 -3.010 -21.996 10.136 604 HA ALA 82 HA ALA 82 -2.988 -20.477 7.644 605 HB1 ALA 82 HB1 ALA 82 -2.706 -19.598 10.082 606 HB2 ALA 82 HB2 ALA 82 -1.713 -18.882 8.815 607 HB3 ALA 82 HB3 ALA 82 -1.023 -20.086 9.904 608 H LYS 83 HN LYS 83 -1.953 -21.455 5.963 609 HA LYS 83 HA LYS 83 0.588 -22.910 6.420 610 HB2 LYS 83 HB2 LYS 83 -0.957 -24.004 4.925 611 HB3 LYS 83 HB1 LYS 83 -1.161 -22.540 3.974 612 HG2 LYS 83 HG2 LYS 83 0.983 -22.686 3.028 613 HG3 LYS 83 HG1 LYS 83 1.569 -23.768 4.293 614 HD2 LYS 83 HD2 LYS 83 0.238 -25.593 3.452 615 HD3 LYS 83 HD1 LYS 83 -0.602 -24.529 2.323 616 HE2 LYS 83 HE2 LYS 83 2.396 -24.920 2.234 617 HE3 LYS 83 HE1 LYS 83 1.286 -25.958 1.339 618 HZ1 LYS 83 HZ1 LYS 83 0.640 -24.258 -0.023 619 HZ2 LYS 83 HZ2 LYS 83 2.259 -23.820 0.251 620 HZ3 LYS 83 HZ3 LYS 83 1.010 -23.046 1.105 621 H GLU 84 HN GLU 84 2.459 -22.323 5.027 622 HA GLU 84 HA GLU 84 3.502 -19.857 5.414 623 HB2 GLU 84 HB2 GLU 84 3.793 -21.653 3.007 624 HB3 GLU 84 HB1 GLU 84 4.744 -20.180 3.181 625 HG2 GLU 84 HG2 GLU 84 4.620 -22.306 5.330 626 HG3 GLU 84 HG1 GLU 84 5.846 -22.303 4.062 627 H ASP 85 HN ASP 85 1.766 -20.556 2.321 628 HA ASP 85 HA ASP 85 1.137 -17.617 2.175 629 HB2 ASP 85 HB2 ASP 85 2.139 -19.569 0.120 630 HB3 ASP 85 HB1 ASP 85 1.117 -18.236 -0.403 631 H GLN 86 HN GLN 86 -0.269 -20.569 2.697 632 HA GLN 86 HA GLN 86 -2.815 -19.717 1.334 633 HB2 GLN 86 HB2 GLN 86 -2.005 -22.585 1.811 634 HB3 GLN 86 HB1 GLN 86 -3.296 -21.972 0.782 635 HG2 GLN 86 HG2 GLN 86 -0.349 -21.432 0.315 636 HG3 GLN 86 HG1 GLN 86 -1.274 -22.693 -0.482 637 HE21 GLN 86 HE21 GLN 86 -0.015 -20.244 -1.703 638 HE22 GLN 86 HE22 GLN 86 -1.288 -19.421 -2.468 639 H LEU 87 HN LEU 87 -4.735 -20.851 2.274 640 HA LEU 87 HA LEU 87 -4.522 -21.296 5.214 641 HB2 LEU 87 HB2 LEU 87 -6.466 -19.541 3.689 642 HB3 LEU 87 HB1 LEU 87 -6.926 -20.259 5.231 643 HG LEU 87 HG LEU 87 -4.298 -18.805 5.041 644 HD11 LEU 87 HD11 LEU 87 -5.635 -17.093 4.146 645 HD12 LEU 87 HD12 LEU 87 -5.654 -16.751 5.875 646 HD13 LEU 87 HD13 LEU 87 -7.033 -17.548 5.117 647 HD21 LEU 87 HD21 LEU 87 -6.241 -18.736 7.329 648 HD22 LEU 87 HD22 LEU 87 -4.485 -18.630 7.354 649 HD23 LEU 87 HD23 LEU 87 -5.268 -20.178 7.062 650 H LEU 88 HN LEU 88 -5.594 -23.136 5.840 651 HA LEU 88 HA LEU 88 -7.399 -24.468 3.842 652 HB2 LEU 88 HB2 LEU 88 -5.060 -25.620 5.386 653 HB3 LEU 88 HB1 LEU 88 -6.275 -26.625 4.602 654 HG LEU 88 HG LEU 88 -4.940 -24.472 2.973 655 HD11 LEU 88 HD11 LEU 88 -3.020 -25.519 3.990 656 HD12 LEU 88 HD12 LEU 88 -3.166 -26.125 2.340 657 HD13 LEU 88 HD13 LEU 88 -3.685 -27.127 3.695 658 HD21 LEU 88 HD21 LEU 88 -5.934 -27.271 2.380 659 HD22 LEU 88 HD22 LEU 88 -5.240 -26.167 1.192 660 HD23 LEU 88 HD23 LEU 88 -6.762 -25.763 1.987 661 H CYS 89 HN CYS 89 -8.675 -26.267 4.934 662 HA CYS 89 HA CYS 89 -9.724 -25.262 7.500 663 HB2 CYS 89 HB2 CYS 89 -10.583 -27.776 6.043 664 HB3 CYS 89 HB1 CYS 89 -11.511 -26.818 7.192 665 H THR 90 HN THR 90 -9.350 -26.292 9.476 666 HA THR 90 HA THR 90 -7.065 -27.837 9.893 667 HB THR 90 HB THR 90 -8.035 -27.071 11.881 668 HG1 THR 90 HG1 THR 90 -9.203 -29.252 12.612 669 HG21 THR 90 HG21 THR 90 -10.204 -26.457 11.089 670 HG22 THR 90 HG22 THR 90 -10.470 -27.579 12.424 671 HG23 THR 90 HG23 THR 90 -10.631 -28.136 10.759 672 H ASP 91 HN ASP 91 -9.963 -28.772 8.379 673 HA ASP 91 HA ASP 91 -9.618 -31.660 8.838 674 HB2 ASP 91 HB2 ASP 91 -11.358 -30.330 6.758 675 HB3 ASP 91 HB1 ASP 91 -11.553 -31.935 7.457 676 H CYS 92 HN CYS 92 -9.328 -29.382 6.103 677 HA CYS 92 HA CYS 92 -8.121 -31.337 4.342 678 HB2 CYS 92 HB2 CYS 92 -7.728 -28.353 4.080 679 HB3 CYS 92 HB1 CYS 92 -7.868 -29.559 2.803 680 H TYR 93 HN TYR 93 -6.867 -28.746 6.434 681 HA TYR 93 HA TYR 93 -4.128 -28.978 5.760 682 HB2 TYR 93 HB2 TYR 93 -5.226 -27.251 7.271 683 HB3 TYR 93 HB1 TYR 93 -5.201 -28.467 8.542 684 HD1 TYR 93 HD2 TYR 93 -2.954 -26.754 6.071 685 HD2 TYR 93 HD1 TYR 93 -3.281 -28.770 9.851 686 HE1 TYR 93 HE2 TYR 93 -0.579 -26.233 6.559 687 HE2 TYR 93 HE1 TYR 93 -0.908 -28.257 10.334 688 HH TYR 93 HH TYR 93 0.795 -25.987 8.963 689 H SER 94 HN SER 94 -5.985 -30.608 8.313 690 HA SER 94 HA SER 94 -3.942 -32.205 9.393 691 HB2 SER 94 HB2 SER 94 -6.171 -32.152 10.385 692 HB3 SER 94 HB1 SER 94 -6.863 -32.898 8.948 693 HG SER 94 HG SER 94 -5.290 -33.997 10.980 694 H ASN 95 HN ASN 95 -5.754 -32.590 6.397 695 HA ASN 95 HA ASN 95 -4.923 -35.284 5.832 696 HB2 ASN 95 HB2 ASN 95 -6.795 -33.964 4.692 697 HB3 ASN 95 HB1 ASN 95 -5.527 -33.163 3.763 698 HD21 ASN 95 HD21 ASN 95 -6.185 -36.582 4.751 699 HD22 ASN 95 HD22 ASN 95 -5.933 -37.226 3.201 700 H GLU 96 HN GLU 96 -3.376 -32.166 5.458 701 HA GLU 96 HA GLU 96 -1.202 -33.332 3.792 702 HB2 GLU 96 HB2 GLU 96 -1.270 -30.507 4.870 703 HB3 GLU 96 HB1 GLU 96 -0.501 -31.112 3.401 704 HG2 GLU 96 HG2 GLU 96 -3.493 -30.975 3.874 705 HG3 GLU 96 HG1 GLU 96 -2.562 -29.841 2.903 706 H TYR 97 HN TYR 97 -1.782 -31.886 6.960 707 HA TYR 97 HA TYR 97 0.964 -32.196 7.866 708 HB2 TYR 97 HB2 TYR 97 -0.469 -30.528 8.903 709 HB3 TYR 97 HB1 TYR 97 -1.651 -31.755 9.338 710 HD1 TYR 97 HD2 TYR 97 1.819 -30.568 9.963 711 HD2 TYR 97 HD1 TYR 97 -1.383 -33.108 11.288 712 HE1 TYR 97 HE2 TYR 97 3.030 -30.988 12.086 713 HE2 TYR 97 HE1 TYR 97 -0.172 -33.527 13.411 714 HH TYR 97 HH TYR 97 1.530 -32.598 14.769 715 H SER 98 HN SER 98 -1.731 -34.212 7.433 716 HA SER 98 HA SER 98 -1.506 -36.126 9.492 717 HB2 SER 98 HB2 SER 98 -3.302 -36.577 8.085 718 HB3 SER 98 HB1 SER 98 -2.377 -36.228 6.627 719 HG SER 98 HG SER 98 -1.339 -38.189 6.850 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -11.013 30.545 1.426 2 H2 MET 1 HT2 MET 1 -12.673 30.824 1.193 3 H3 MET 1 HT3 MET 1 -11.556 32.085 0.967 4 HA MET 1 HA MET 1 -11.713 29.617 -0.678 5 HB2 MET 1 HB2 MET 1 -12.429 31.292 -2.449 6 HB3 MET 1 HB1 MET 1 -13.615 31.002 -1.176 7 HG2 MET 1 HG2 MET 1 -12.858 33.024 0.006 8 HG3 MET 1 HG1 MET 1 -11.652 33.314 -1.247 9 HE1 MET 1 HE1 MET 1 -13.385 34.631 -4.218 10 HE2 MET 1 HE2 MET 1 -12.337 33.275 -3.810 11 HE3 MET 1 HE3 MET 1 -12.026 34.861 -3.109 12 H THR 2 HN THR 2 -9.820 32.152 0.553 13 HA THR 2 HA THR 2 -8.158 32.723 -1.710 14 HB THR 2 HB THR 2 -8.215 34.081 0.392 15 HG1 THR 2 HG1 THR 2 -5.863 34.235 0.507 16 HG21 THR 2 HG21 THR 2 -7.183 33.312 2.385 17 HG22 THR 2 HG22 THR 2 -6.456 31.929 1.567 18 HG23 THR 2 HG23 THR 2 -8.197 31.972 1.851 19 H GLU 3 HN GLU 3 -7.909 30.312 0.888 20 HA GLU 3 HA GLU 3 -5.384 29.233 0.172 21 HB2 GLU 3 HB2 GLU 3 -6.040 27.285 1.441 22 HB3 GLU 3 HB1 GLU 3 -6.704 28.697 2.255 23 HG2 GLU 3 HG2 GLU 3 -8.840 28.268 0.869 24 HG3 GLU 3 HG1 GLU 3 -8.150 26.680 0.532 25 H ARG 4 HN ARG 4 -5.292 26.830 -0.646 26 HA ARG 4 HA ARG 4 -6.566 26.831 -3.328 27 HB2 ARG 4 HB2 ARG 4 -4.309 25.190 -2.152 28 HB3 ARG 4 HB1 ARG 4 -4.841 25.130 -3.828 29 HG2 ARG 4 HG2 ARG 4 -3.971 27.696 -2.475 30 HG3 ARG 4 HG1 ARG 4 -2.836 26.661 -3.331 31 HD2 ARG 4 HD2 ARG 4 -4.758 26.904 -5.248 32 HD3 ARG 4 HD1 ARG 4 -4.966 28.444 -4.422 33 HE ARG 4 HE ARG 4 -2.905 27.855 -6.260 34 HH11 ARG 4 HH21 ARG 4 -3.233 29.092 -3.051 35 HH12 ARG 4 HH22 ARG 4 -1.671 29.830 -3.044 36 HH21 ARG 4 HH11 ARG 4 -0.884 28.832 -6.262 37 HH22 ARG 4 HH12 ARG 4 -0.347 29.692 -4.858 38 H PHE 5 HN PHE 5 -7.894 25.134 -3.995 39 HA PHE 5 HA PHE 5 -8.708 23.184 -1.867 40 HB2 PHE 5 HB2 PHE 5 -10.325 24.982 -2.958 41 HB3 PHE 5 HB1 PHE 5 -10.412 23.814 -4.268 42 HD1 PHE 5 HD1 PHE 5 -10.776 24.181 -0.578 43 HD2 PHE 5 HD2 PHE 5 -11.804 21.909 -4.066 44 HE1 PHE 5 HE1 PHE 5 -12.373 22.854 0.763 45 HE2 PHE 5 HE2 PHE 5 -13.414 20.576 -2.722 46 HZ PHE 5 HZ PHE 5 -13.691 21.038 -0.310 47 H ASP 6 HN ASP 6 -6.625 22.158 -2.877 48 HA ASP 6 HA ASP 6 -7.546 20.194 -4.934 49 HB2 ASP 6 HB2 ASP 6 -4.749 21.351 -4.944 50 HB3 ASP 6 HB1 ASP 6 -5.514 20.347 -6.177 51 H CYS 7 HN CYS 7 -6.632 18.130 -4.690 52 HA CYS 7 HA CYS 7 -5.991 17.358 -2.039 53 HB2 CYS 7 HB2 CYS 7 -6.811 15.689 -3.498 54 HB3 CYS 7 HB1 CYS 7 -5.601 16.033 -4.715 55 H HIS 8 HN HIS 8 -4.246 18.350 -1.104 56 HA HIS 8 HA HIS 8 -1.946 19.372 -2.217 57 HB2 HIS 8 HB2 HIS 8 -2.598 19.462 0.175 58 HB3 HIS 8 HB1 HIS 8 -2.044 17.822 0.375 59 HD2 HIS 8 HD2 HIS 8 -0.581 21.374 0.384 60 HE1 HIS 8 HE1 HIS 8 2.707 18.737 0.130 61 HE2 HIS 8 HE2 HIS 8 2.017 21.151 0.518 62 H HIS 9 HN HIS 9 -2.747 15.992 -1.970 63 HA HIS 9 HA HIS 9 0.066 15.186 -2.415 64 HB2 HIS 9 HB2 HIS 9 -1.232 13.803 -0.911 65 HB3 HIS 9 HB1 HIS 9 -2.471 13.559 -2.132 66 HD2 HIS 9 HD2 HIS 9 -1.368 10.746 -1.463 67 HE1 HIS 9 HE1 HIS 9 1.574 11.211 -4.458 68 HE2 HIS 9 HE2 HIS 9 0.390 9.531 -2.967 69 H CYS 10 HN CYS 10 -2.994 14.343 -4.150 70 HA CYS 10 HA CYS 10 -1.457 13.853 -6.606 71 HB2 CYS 10 HB2 CYS 10 -4.462 14.046 -6.397 72 HB3 CYS 10 HB1 CYS 10 -3.514 13.129 -7.562 73 H ASN 11 HN ASN 11 -2.656 16.543 -5.089 74 HA ASN 11 HA ASN 11 -3.061 18.744 -5.727 75 HB2 ASN 11 HB2 ASN 11 -0.808 18.695 -6.499 76 HB3 ASN 11 HB1 ASN 11 -1.259 17.797 -7.939 77 HD21 ASN 11 HD21 ASN 11 -1.823 20.965 -6.333 78 HD22 ASN 11 HD22 ASN 11 -2.041 21.829 -7.778 79 H GLU 12 HN GLU 12 -4.782 16.426 -6.832 80 HA GLU 12 HA GLU 12 -5.878 17.716 -9.275 81 HB2 GLU 12 HB2 GLU 12 -7.221 15.739 -9.533 82 HB3 GLU 12 HB1 GLU 12 -5.606 15.193 -9.085 83 HG2 GLU 12 HG2 GLU 12 -6.432 15.170 -6.672 84 HG3 GLU 12 HG1 GLU 12 -8.052 15.375 -7.311 85 H SER 13 HN SER 13 -7.741 18.934 -9.217 86 HA SER 13 HA SER 13 -8.738 20.097 -6.891 87 HB2 SER 13 HB2 SER 13 -10.835 20.526 -8.197 88 HB3 SER 13 HB1 SER 13 -9.368 20.939 -9.080 89 HG SER 13 HG SER 13 -11.157 19.518 -10.058 90 H LEU 14 HN LEU 14 -10.112 19.406 -5.238 91 HA LEU 14 HA LEU 14 -10.675 16.638 -4.890 92 HB2 LEU 14 HB2 LEU 14 -12.013 19.085 -3.731 93 HB3 LEU 14 HB1 LEU 14 -12.420 17.464 -3.236 94 HG LEU 14 HG LEU 14 -10.827 18.477 -1.703 95 HD11 LEU 14 HD11 LEU 14 -10.759 15.961 -2.547 96 HD12 LEU 14 HD12 LEU 14 -9.544 16.590 -1.437 97 HD13 LEU 14 HD13 LEU 14 -9.177 16.455 -3.154 98 HD21 LEU 14 HD21 LEU 14 -8.719 19.271 -2.337 99 HD22 LEU 14 HD22 LEU 14 -9.802 19.905 -3.573 100 HD23 LEU 14 HD23 LEU 14 -8.800 18.491 -3.913 101 H PHE 15 HN PHE 15 -12.270 15.393 -5.690 102 HA PHE 15 HA PHE 15 -13.837 16.460 -7.878 103 HB2 PHE 15 HB2 PHE 15 -14.527 14.090 -8.151 104 HB3 PHE 15 HB1 PHE 15 -12.783 14.297 -8.065 105 HD1 PHE 15 HD2 PHE 15 -11.601 13.893 -5.781 106 HD2 PHE 15 HD1 PHE 15 -15.668 12.742 -6.596 107 HE1 PHE 15 HE2 PHE 15 -11.563 12.363 -3.840 108 HE2 PHE 15 HE1 PHE 15 -15.614 11.197 -4.658 109 HZ PHE 15 HZ PHE 15 -13.564 11.010 -3.280 110 H GLY 16 HN GLY 16 -15.549 17.735 -7.182 111 HA2 GLY 16 HA2 GLY 16 -17.677 18.204 -6.294 112 HA3 GLY 16 HA1 GLY 16 -18.002 16.599 -6.922 113 H LYS 17 HN LYS 17 -15.752 16.420 -4.310 114 HA LYS 17 HA LYS 17 -18.054 15.914 -2.423 115 HB2 LYS 17 HB2 LYS 17 -17.355 13.800 -3.426 116 HB3 LYS 17 HB1 LYS 17 -15.689 14.102 -2.933 117 HG2 LYS 17 HG2 LYS 17 -16.174 13.840 -0.646 118 HG3 LYS 17 HG1 LYS 17 -17.901 14.113 -0.880 119 HD2 LYS 17 HD2 LYS 17 -18.137 11.967 -2.003 120 HD3 LYS 17 HD1 LYS 17 -16.394 11.706 -1.946 121 HE2 LYS 17 HE2 LYS 17 -17.685 10.495 -0.143 122 HE3 LYS 17 HE1 LYS 17 -16.420 11.564 0.462 123 HZ1 LYS 17 HZ1 LYS 17 -17.954 13.138 1.133 124 HZ2 LYS 17 HZ2 LYS 17 -18.738 11.680 1.517 125 HZ3 LYS 17 HZ3 LYS 17 -19.180 12.544 0.122 126 H LYS 18 HN LYS 18 -17.548 15.795 -0.210 127 HA LYS 18 HA LYS 18 -15.994 17.885 0.824 128 HB2 LYS 18 HB2 LYS 18 -16.968 15.293 2.034 129 HB3 LYS 18 HB1 LYS 18 -16.032 16.449 2.983 130 HG2 LYS 18 HG2 LYS 18 -17.679 18.140 2.760 131 HG3 LYS 18 HG1 LYS 18 -18.482 17.299 1.434 132 HD2 LYS 18 HD2 LYS 18 -19.095 15.468 3.012 133 HD3 LYS 18 HD1 LYS 18 -18.379 16.399 4.328 134 HE2 LYS 18 HE2 LYS 18 -20.807 17.071 2.667 135 HE3 LYS 18 HE1 LYS 18 -20.683 16.939 4.421 136 HZ1 LYS 18 HZ1 LYS 18 -19.560 19.055 2.677 137 HZ2 LYS 18 HZ2 LYS 18 -19.100 18.858 4.301 138 HZ3 LYS 18 HZ3 LYS 18 -20.712 19.227 3.910 139 H TYR 19 HN TYR 19 -14.030 17.489 2.336 140 HA TYR 19 HA TYR 19 -12.210 15.391 1.252 141 HB2 TYR 19 HB2 TYR 19 -10.493 17.048 0.770 142 HB3 TYR 19 HB1 TYR 19 -11.974 17.447 -0.100 143 HD1 TYR 19 HD1 TYR 19 -13.635 19.085 1.064 144 HD2 TYR 19 HD2 TYR 19 -9.508 18.660 2.161 145 HE1 TYR 19 HE1 TYR 19 -13.709 21.292 2.181 146 HE2 TYR 19 HE2 TYR 19 -9.581 20.879 3.275 147 HH TYR 19 HH TYR 19 -11.071 22.441 4.156 148 H ILE 20 HN ILE 20 -10.285 15.116 2.548 149 HA ILE 20 HA ILE 20 -10.729 15.840 5.422 150 HB ILE 20 HB ILE 20 -9.133 13.579 4.180 151 HG12 ILE 20 HG12 ILE 20 -11.676 13.237 5.776 152 HG13 ILE 20 HG11 ILE 20 -11.778 13.612 4.059 153 HG21 ILE 20 HG21 ILE 20 -9.783 14.346 7.033 154 HG22 ILE 20 HG22 ILE 20 -8.191 14.141 6.303 155 HG23 ILE 20 HG23 ILE 20 -9.220 12.737 6.583 156 HD11 ILE 20 HD11 ILE 20 -11.788 11.139 4.604 157 HD12 ILE 20 HD12 ILE 20 -10.120 11.324 5.144 158 HD13 ILE 20 HD13 ILE 20 -10.543 11.641 3.462 159 H LEU 21 HN LEU 21 -9.050 16.843 6.557 160 HA LEU 21 HA LEU 21 -6.764 17.825 4.922 161 HB2 LEU 21 HB2 LEU 21 -7.689 18.559 7.719 162 HB3 LEU 21 HB1 LEU 21 -6.248 19.218 6.937 163 HG LEU 21 HG LEU 21 -8.230 20.720 6.756 164 HD11 LEU 21 HD11 LEU 21 -6.333 20.377 4.941 165 HD12 LEU 21 HD12 LEU 21 -7.725 21.398 4.599 166 HD13 LEU 21 HD13 LEU 21 -7.667 19.757 3.975 167 HD21 LEU 21 HD21 LEU 21 -9.424 18.756 4.804 168 HD22 LEU 21 HD22 LEU 21 -10.190 20.119 5.615 169 HD23 LEU 21 HD23 LEU 21 -9.818 18.655 6.522 170 H ARG 22 HN ARG 22 -5.041 16.503 4.920 171 HA ARG 22 HA ARG 22 -4.372 14.962 7.404 172 HB2 ARG 22 HB2 ARG 22 -4.809 13.669 5.260 173 HB3 ARG 22 HB1 ARG 22 -3.387 14.459 4.586 174 HG2 ARG 22 HG2 ARG 22 -2.519 12.439 5.405 175 HG3 ARG 22 HG1 ARG 22 -2.154 13.567 6.697 176 HD2 ARG 22 HD2 ARG 22 -4.074 12.793 7.982 177 HD3 ARG 22 HD1 ARG 22 -4.620 11.802 6.635 178 HE ARG 22 HE ARG 22 -2.065 10.865 7.168 179 HH11 ARG 22 HH21 ARG 22 -4.958 11.428 8.957 180 HH12 ARG 22 HH22 ARG 22 -4.671 10.141 10.081 181 HH21 ARG 22 HH11 ARG 22 -1.673 9.183 8.625 182 HH22 ARG 22 HH12 ARG 22 -2.811 8.870 9.893 183 H GLU 23 HN GLU 23 -2.375 15.346 8.357 184 HA GLU 23 HA GLU 23 -0.452 16.627 8.835 185 HB2 GLU 23 HB2 GLU 23 -0.200 16.093 5.864 186 HB3 GLU 23 HB1 GLU 23 1.048 16.951 6.770 187 HG2 GLU 23 HG2 GLU 23 1.191 15.016 8.338 188 HG3 GLU 23 HG1 GLU 23 0.027 14.152 7.333 189 H GLU 24 HN GLU 24 -2.930 18.005 8.335 190 HA GLU 24 HA GLU 24 -3.719 20.182 8.046 191 HB2 GLU 24 HB2 GLU 24 -0.832 21.046 7.768 192 HB3 GLU 24 HB1 GLU 24 -2.198 21.987 8.360 193 HG2 GLU 24 HG2 GLU 24 -0.932 19.594 9.726 194 HG3 GLU 24 HG1 GLU 24 -0.869 21.272 10.265 195 H SER 25 HN SER 25 -3.457 18.465 5.748 196 HA SER 25 HA SER 25 -3.329 20.560 3.677 197 HB2 SER 25 HB2 SER 25 -1.899 17.968 3.149 198 HB3 SER 25 HB1 SER 25 -1.723 19.513 2.323 199 HG SER 25 HG SER 25 -0.020 19.482 3.647 200 HA PRO 26 HA PRO 26 -6.973 18.257 2.427 201 HB2 PRO 26 HB2 PRO 26 -6.997 19.181 -0.268 202 HB3 PRO 26 HB1 PRO 26 -7.867 19.897 1.090 203 HG2 PRO 26 HG2 PRO 26 -5.448 20.878 -0.271 204 HG3 PRO 26 HG1 PRO 26 -6.524 21.738 0.838 205 HD2 PRO 26 HD2 PRO 26 -3.922 20.788 1.447 206 HD3 PRO 26 HD1 PRO 26 -5.127 21.374 2.613 207 H TYR 27 HN TYR 27 -7.014 16.155 1.863 208 HA TYR 27 HA TYR 27 -5.280 15.179 -0.387 209 HB2 TYR 27 HB2 TYR 27 -5.906 13.989 2.324 210 HB3 TYR 27 HB1 TYR 27 -5.618 12.911 0.974 211 HD1 TYR 27 HD2 TYR 27 -3.495 15.766 0.470 212 HD2 TYR 27 HD1 TYR 27 -3.929 12.229 2.862 213 HE1 TYR 27 HE2 TYR 27 -1.088 15.799 0.940 214 HE2 TYR 27 HE1 TYR 27 -1.498 12.276 3.344 215 HH TYR 27 HH TYR 27 0.683 14.047 1.601 216 H CYS 28 HN CYS 28 -6.412 13.871 -1.885 217 HA CYS 28 HA CYS 28 -9.270 14.205 -1.931 218 HB2 CYS 28 HB2 CYS 28 -9.239 12.629 -3.829 219 HB3 CYS 28 HB1 CYS 28 -7.985 13.840 -4.005 220 H VAL 29 HN VAL 29 -10.892 12.619 -1.479 221 HA VAL 29 HA VAL 29 -10.740 11.160 0.845 222 HB VAL 29 HB VAL 29 -12.225 10.130 -1.578 223 HG11 VAL 29 HG11 VAL 29 -12.237 8.832 0.568 224 HG12 VAL 29 HG12 VAL 29 -13.832 9.394 0.065 225 HG13 VAL 29 HG13 VAL 29 -12.965 10.234 1.351 226 HG21 VAL 29 HG21 VAL 29 -12.756 12.532 0.183 227 HG22 VAL 29 HG22 VAL 29 -14.039 11.732 -0.726 228 HG23 VAL 29 HG23 VAL 29 -12.684 12.469 -1.579 229 H VAL 30 HN VAL 30 -10.246 9.769 -2.394 230 HA VAL 30 HA VAL 30 -9.528 7.175 -1.735 231 HB VAL 30 HB VAL 30 -8.039 8.777 -3.818 232 HG11 VAL 30 HG11 VAL 30 -7.392 6.411 -3.418 233 HG12 VAL 30 HG12 VAL 30 -8.084 6.653 -5.023 234 HG13 VAL 30 HG13 VAL 30 -9.055 5.924 -3.744 235 HG21 VAL 30 HG21 VAL 30 -10.014 8.094 -5.296 236 HG22 VAL 30 HG22 VAL 30 -10.322 9.397 -4.149 237 HG23 VAL 30 HG23 VAL 30 -10.890 7.763 -3.801 238 H CYS 31 HN CYS 31 -7.217 9.924 -2.022 239 HA CYS 31 HA CYS 31 -4.860 8.629 -1.365 240 HB2 CYS 31 HB2 CYS 31 -5.872 11.381 -0.894 241 HB3 CYS 31 HB1 CYS 31 -4.504 10.902 0.099 242 H PHE 32 HN PHE 32 -6.850 10.262 1.109 243 HA PHE 32 HA PHE 32 -5.636 9.305 3.397 244 HB2 PHE 32 HB2 PHE 32 -7.634 10.842 3.292 245 HB3 PHE 32 HB1 PHE 32 -8.647 9.421 3.046 246 HD1 PHE 32 HD1 PHE 32 -8.593 7.566 4.815 247 HD2 PHE 32 HD2 PHE 32 -6.943 11.482 5.466 248 HE1 PHE 32 HE1 PHE 32 -8.650 7.185 7.263 249 HE2 PHE 32 HE2 PHE 32 -7.001 11.097 7.914 250 HZ PHE 32 HZ PHE 32 -7.855 8.950 8.813 251 H GLU 33 HN GLU 33 -8.130 7.491 1.538 252 HA GLU 33 HA GLU 33 -8.011 5.228 3.323 253 HB2 GLU 33 HB2 GLU 33 -9.025 5.425 0.484 254 HB3 GLU 33 HB1 GLU 33 -9.325 4.079 1.588 255 HG2 GLU 33 HG2 GLU 33 -10.014 6.908 2.384 256 HG3 GLU 33 HG1 GLU 33 -11.120 5.941 1.423 257 H THR 34 HN THR 34 -6.951 5.434 -0.105 258 HA THR 34 HA THR 34 -5.544 3.026 -0.179 259 HB THR 34 HB THR 34 -6.004 4.850 -2.020 260 HG1 THR 34 HG1 THR 34 -4.827 3.590 -3.276 261 HG21 THR 34 HG21 THR 34 -4.380 6.460 -0.899 262 HG22 THR 34 HG22 THR 34 -4.149 6.210 -2.625 263 HG23 THR 34 HG23 THR 34 -3.088 5.407 -1.468 264 H LEU 35 HN LEU 35 -4.281 6.184 0.888 265 HA LEU 35 HA LEU 35 -1.594 5.417 1.282 266 HB2 LEU 35 HB2 LEU 35 -3.292 7.370 2.843 267 HB3 LEU 35 HB1 LEU 35 -1.547 7.233 3.017 268 HG LEU 35 HG LEU 35 -2.861 7.741 0.340 269 HD11 LEU 35 HD11 LEU 35 -1.826 9.772 2.332 270 HD12 LEU 35 HD12 LEU 35 -3.518 9.524 1.900 271 HD13 LEU 35 HD13 LEU 35 -2.379 10.127 0.695 272 HD21 LEU 35 HD21 LEU 35 -0.524 8.826 -0.001 273 HD22 LEU 35 HD22 LEU 35 -0.606 7.069 0.018 274 HD23 LEU 35 HD23 LEU 35 -0.049 7.939 1.445 275 H PHE 36 HN PHE 36 -4.114 5.535 3.832 276 HA PHE 36 HA PHE 36 -2.378 3.820 5.529 277 HB2 PHE 36 HB2 PHE 36 -5.047 4.862 6.426 278 HB3 PHE 36 HB1 PHE 36 -3.556 4.660 7.342 279 HD1 PHE 36 HD2 PHE 36 -1.604 5.988 5.493 280 HD2 PHE 36 HD1 PHE 36 -5.548 7.159 6.736 281 HE1 PHE 36 HE2 PHE 36 -1.038 8.355 5.052 282 HE2 PHE 36 HE1 PHE 36 -4.974 9.526 6.294 283 HZ PHE 36 HZ PHE 36 -2.723 10.123 5.448 284 H ALA 37 HN ALA 37 -4.791 3.255 3.282 285 HA ALA 37 HA ALA 37 -6.426 1.337 4.612 286 HB1 ALA 37 HB1 ALA 37 -6.566 0.319 2.205 287 HB2 ALA 37 HB2 ALA 37 -5.621 1.733 1.741 288 HB3 ALA 37 HB3 ALA 37 -7.207 1.938 2.481 289 H ASN 38 HN ASN 38 -6.263 -1.011 4.525 290 HA ASN 38 HA ASN 38 -3.470 -1.928 4.865 291 HB2 ASN 38 HB2 ASN 38 -6.173 -3.140 5.464 292 HB3 ASN 38 HB1 ASN 38 -4.666 -4.032 5.633 293 HD21 ASN 38 HD21 ASN 38 -6.787 -2.515 7.548 294 HD22 ASN 38 HD22 ASN 38 -5.751 -1.818 8.697 295 H THR 39 HN THR 39 -2.684 -3.832 3.729 296 HA THR 39 HA THR 39 -3.815 -4.053 0.996 297 HB THR 39 HB THR 39 -1.357 -5.480 2.027 298 HG1 THR 39 HG1 THR 39 -1.210 -3.248 2.522 299 HG21 THR 39 HG21 THR 39 -0.681 -5.342 -0.308 300 HG22 THR 39 HG22 THR 39 -2.088 -4.350 -0.691 301 HG23 THR 39 HG23 THR 39 -2.299 -6.037 -0.221 302 H CYS 40 HN CYS 40 -4.876 -5.852 0.261 303 HA CYS 40 HA CYS 40 -5.472 -8.004 2.205 304 HB2 CYS 40 HB2 CYS 40 -7.378 -7.306 0.964 305 HB3 CYS 40 HB1 CYS 40 -6.495 -7.311 -0.559 306 H GLU 41 HN GLU 41 -3.862 -9.424 2.384 307 HA GLU 41 HA GLU 41 -1.812 -10.006 0.600 308 HB2 GLU 41 HB2 GLU 41 -3.166 -11.984 2.448 309 HB3 GLU 41 HB1 GLU 41 -1.520 -12.085 1.831 310 HG2 GLU 41 HG2 GLU 41 -0.896 -10.051 3.013 311 HG3 GLU 41 HG1 GLU 41 -2.558 -9.791 3.528 312 H GLU 42 HN GLU 42 -5.141 -10.863 0.286 313 HA GLU 42 HA GLU 42 -4.580 -13.073 -1.599 314 HB2 GLU 42 HB2 GLU 42 -6.596 -12.906 0.066 315 HB3 GLU 42 HB1 GLU 42 -7.309 -11.859 -1.157 316 HG2 GLU 42 HG2 GLU 42 -6.290 -14.667 -1.670 317 HG3 GLU 42 HG1 GLU 42 -7.984 -14.233 -1.441 318 H CYS 43 HN CYS 43 -6.164 -9.854 -1.755 319 HA CYS 43 HA CYS 43 -6.128 -9.945 -4.702 320 HB2 CYS 43 HB2 CYS 43 -6.933 -7.706 -2.823 321 HB3 CYS 43 HB1 CYS 43 -7.248 -7.769 -4.556 322 H GLY 44 HN GLY 44 -4.575 -8.082 -2.096 323 HA2 GLY 44 HA2 GLY 44 -2.292 -7.310 -2.196 324 HA3 GLY 44 HA1 GLY 44 -2.339 -7.448 -3.954 325 H LYS 45 HN LYS 45 -5.199 -6.071 -3.365 326 HA LYS 45 HA LYS 45 -4.126 -3.348 -3.832 327 HB2 LYS 45 HB2 LYS 45 -6.355 -2.800 -4.618 328 HB3 LYS 45 HB1 LYS 45 -5.902 -4.350 -5.319 329 HG2 LYS 45 HG2 LYS 45 -7.100 -5.441 -3.347 330 HG3 LYS 45 HG1 LYS 45 -7.754 -3.846 -2.982 331 HD2 LYS 45 HD2 LYS 45 -8.833 -3.719 -5.142 332 HD3 LYS 45 HD1 LYS 45 -8.043 -5.202 -5.677 333 HE2 LYS 45 HE2 LYS 45 -9.211 -6.421 -3.818 334 HE3 LYS 45 HE1 LYS 45 -10.101 -4.939 -3.468 335 HZ1 LYS 45 HZ1 LYS 45 -11.540 -5.872 -4.920 336 HZ2 LYS 45 HZ2 LYS 45 -10.343 -6.768 -5.725 337 HZ3 LYS 45 HZ3 LYS 45 -10.539 -5.114 -6.060 338 HA PRO 46 HA PRO 46 -4.903 -2.017 0.323 339 HB2 PRO 46 HB2 PRO 46 -6.242 0.456 -0.448 340 HB3 PRO 46 HB1 PRO 46 -4.616 0.251 0.217 341 HG2 PRO 46 HG2 PRO 46 -5.335 0.884 -2.503 342 HG3 PRO 46 HG1 PRO 46 -3.709 0.641 -1.845 343 HD2 PRO 46 HD2 PRO 46 -5.158 -1.115 -3.602 344 HD3 PRO 46 HD1 PRO 46 -3.557 -1.382 -2.888 345 H ILE 47 HN ILE 47 -6.624 -2.234 1.793 346 HA ILE 47 HA ILE 47 -9.300 -2.814 0.613 347 HB ILE 47 HB ILE 47 -8.404 -3.263 3.477 348 HG12 ILE 47 HG12 ILE 47 -8.324 -5.202 1.140 349 HG13 ILE 47 HG11 ILE 47 -6.912 -4.479 1.899 350 HG21 ILE 47 HG21 ILE 47 -10.811 -3.290 3.161 351 HG22 ILE 47 HG22 ILE 47 -10.274 -4.955 3.357 352 HG23 ILE 47 HG23 ILE 47 -10.660 -4.337 1.754 353 HD11 ILE 47 HD11 ILE 47 -8.090 -5.515 4.099 354 HD12 ILE 47 HD12 ILE 47 -6.956 -6.428 3.108 355 HD13 ILE 47 HD13 ILE 47 -8.690 -6.648 2.889 356 H GLY 48 HN GLY 48 -10.336 -0.853 0.405 357 HA2 GLY 48 HA2 GLY 48 -9.993 1.349 2.212 358 HA3 GLY 48 HA1 GLY 48 -11.313 1.190 1.057 359 H CYS 49 HN CYS 49 -11.706 2.222 3.629 360 HA CYS 49 HA CYS 49 -12.685 0.168 5.435 361 HB2 CYS 49 HB2 CYS 49 -13.461 1.985 6.779 362 HB3 CYS 49 HB1 CYS 49 -11.955 2.537 6.047 363 HG CYS 49 HG CYS 49 -13.278 4.414 5.132 364 H ASP 50 HN ASP 50 -13.953 1.715 2.634 365 HA ASP 50 HA ASP 50 -16.767 1.285 3.319 366 HB2 ASP 50 HB2 ASP 50 -16.065 3.101 1.775 367 HB3 ASP 50 HB1 ASP 50 -15.480 1.887 0.637 368 H CYS 51 HN CYS 51 -14.936 -1.032 3.436 369 HA CYS 51 HA CYS 51 -16.540 -2.856 1.740 370 HB2 CYS 51 HB2 CYS 51 -13.506 -2.808 1.649 371 HB3 CYS 51 HB1 CYS 51 -14.549 -3.964 0.822 372 HG CYS 51 HG CYS 51 -13.907 -1.960 -0.814 373 H LYS 52 HN LYS 52 -15.867 -5.205 2.296 374 HA LYS 52 HA LYS 52 -16.005 -5.510 5.172 375 HB2 LYS 52 HB2 LYS 52 -16.167 -7.213 2.766 376 HB3 LYS 52 HB1 LYS 52 -15.370 -8.033 4.098 377 HG2 LYS 52 HG2 LYS 52 -17.276 -7.999 5.447 378 HG3 LYS 52 HG1 LYS 52 -17.947 -6.582 4.651 379 HD2 LYS 52 HD2 LYS 52 -18.659 -7.829 2.763 380 HD3 LYS 52 HD1 LYS 52 -17.663 -9.215 3.202 381 HE2 LYS 52 HE2 LYS 52 -19.068 -9.753 5.063 382 HE3 LYS 52 HE1 LYS 52 -19.915 -8.210 4.954 383 HZ1 LYS 52 HZ1 LYS 52 -19.928 -10.032 2.648 384 HZ2 LYS 52 HZ2 LYS 52 -21.079 -8.870 3.111 385 HZ3 LYS 52 HZ3 LYS 52 -20.967 -10.342 3.952 386 H ASP 53 HN ASP 53 -14.116 -4.686 6.139 387 HA ASP 53 HA ASP 53 -11.488 -5.706 5.198 388 HB2 ASP 53 HB2 ASP 53 -10.537 -4.086 6.775 389 HB3 ASP 53 HB1 ASP 53 -11.729 -3.297 5.743 390 H LEU 54 HN LEU 54 -11.267 -7.811 5.921 391 HA LEU 54 HA LEU 54 -12.064 -8.538 8.643 392 HB2 LEU 54 HB2 LEU 54 -12.038 -9.939 6.339 393 HB3 LEU 54 HB1 LEU 54 -10.434 -10.363 6.888 394 HG LEU 54 HG LEU 54 -13.045 -11.400 7.763 395 HD11 LEU 54 HD11 LEU 54 -11.563 -13.199 8.720 396 HD12 LEU 54 HD12 LEU 54 -10.177 -12.265 8.163 397 HD13 LEU 54 HD13 LEU 54 -11.349 -12.885 7.002 398 HD21 LEU 54 HD21 LEU 54 -12.204 -11.717 10.207 399 HD22 LEU 54 HD22 LEU 54 -12.984 -10.200 9.794 400 HD23 LEU 54 HD23 LEU 54 -11.224 -10.290 9.903 401 H SER 55 HN SER 55 -10.642 -8.382 10.370 402 HA SER 55 HA SER 55 -7.708 -8.108 9.762 403 HB2 SER 55 HB2 SER 55 -7.589 -6.894 11.929 404 HB3 SER 55 HB1 SER 55 -8.655 -6.096 10.777 405 HG SER 55 HG SER 55 -9.591 -7.988 12.662 406 H TYR 56 HN TYR 56 -6.438 -9.759 10.486 407 HA TYR 56 HA TYR 56 -7.199 -11.216 12.953 408 HB2 TYR 56 HB2 TYR 56 -8.140 -12.303 10.714 409 HB3 TYR 56 HB1 TYR 56 -6.486 -12.885 10.547 410 HD1 TYR 56 HD1 TYR 56 -5.447 -14.066 12.599 411 HD2 TYR 56 HD2 TYR 56 -9.660 -13.456 12.108 412 HE1 TYR 56 HE1 TYR 56 -5.891 -15.866 14.247 413 HE2 TYR 56 HE2 TYR 56 -10.110 -15.255 13.753 414 HH TYR 56 HH TYR 56 -8.438 -16.267 15.876 415 H LYS 57 HN LYS 57 -5.373 -11.455 14.149 416 HA LYS 57 HA LYS 57 -3.106 -11.489 14.728 417 HB2 LYS 57 HB2 LYS 57 -3.359 -13.656 13.454 418 HB3 LYS 57 HB1 LYS 57 -2.742 -12.814 12.037 419 HG2 LYS 57 HG2 LYS 57 -0.641 -12.360 13.152 420 HG3 LYS 57 HG1 LYS 57 -1.275 -12.952 14.685 421 HD2 LYS 57 HD2 LYS 57 -1.399 -15.203 13.862 422 HD3 LYS 57 HD1 LYS 57 -1.068 -14.681 12.210 423 HE2 LYS 57 HE2 LYS 57 1.179 -13.925 12.898 424 HE3 LYS 57 HE1 LYS 57 0.851 -14.453 14.548 425 HZ1 LYS 57 HZ1 LYS 57 0.271 -16.541 12.745 426 HZ2 LYS 57 HZ2 LYS 57 1.413 -16.507 14.003 427 HZ3 LYS 57 HZ3 LYS 57 1.841 -15.973 12.448 428 H ASP 58 HN ASP 58 -3.664 -9.039 13.996 429 HA ASP 58 HA ASP 58 -2.827 -7.055 13.080 430 HB2 ASP 58 HB2 ASP 58 -0.850 -7.913 14.356 431 HB3 ASP 58 HB1 ASP 58 -0.270 -8.661 12.867 432 H ARG 59 HN ARG 59 -3.548 -9.504 11.150 433 HA ARG 59 HA ARG 59 -2.310 -8.297 8.693 434 HB2 ARG 59 HB2 ARG 59 -3.444 -11.066 9.174 435 HB3 ARG 59 HB1 ARG 59 -2.953 -10.458 7.596 436 HG2 ARG 59 HG2 ARG 59 -0.685 -10.257 8.259 437 HG3 ARG 59 HG1 ARG 59 -1.080 -10.438 9.962 438 HD2 ARG 59 HD2 ARG 59 -1.844 -12.756 9.518 439 HD3 ARG 59 HD1 ARG 59 -1.359 -12.571 7.835 440 HE ARG 59 HE ARG 59 0.936 -11.941 9.248 441 HH11 ARG 59 HH21 ARG 59 -1.321 -14.546 9.179 442 HH12 ARG 59 HH22 ARG 59 -0.153 -15.745 9.626 443 HH21 ARG 59 HH11 ARG 59 2.473 -13.491 9.834 444 HH22 ARG 59 HH12 ARG 59 1.995 -15.147 9.996 445 H HIS 60 HN HIS 60 -3.844 -8.370 6.766 446 HA HIS 60 HA HIS 60 -6.677 -7.880 7.646 447 HB2 HIS 60 HB2 HIS 60 -5.011 -6.311 5.670 448 HB3 HIS 60 HB1 HIS 60 -6.747 -6.100 5.893 449 HD2 HIS 60 HD2 HIS 60 -7.499 -4.896 8.380 450 HE1 HIS 60 HE1 HIS 60 -3.565 -3.967 9.597 451 HE2 HIS 60 HE2 HIS 60 -6.026 -3.606 10.106 452 H TRP 61 HN TRP 61 -8.286 -8.409 6.122 453 HA TRP 61 HA TRP 61 -7.562 -9.639 3.558 454 HB2 TRP 61 HB2 TRP 61 -8.251 -11.225 6.005 455 HB3 TRP 61 HB1 TRP 61 -9.003 -11.750 4.505 456 HD1 TRP 61 HD1 TRP 61 -7.013 -11.788 2.374 457 HE1 TRP 61 HE1 TRP 61 -4.763 -13.041 2.495 458 HE3 TRP 61 HE3 TRP 61 -6.470 -12.151 7.446 459 HZ2 TRP 61 HZ2 TRP 61 -2.969 -14.057 4.474 460 HZ3 TRP 61 HZ3 TRP 61 -4.479 -13.264 8.417 461 HH2 TRP 61 HH2 TRP 61 -2.732 -14.219 6.938 462 H HIS 62 HN HIS 62 -9.432 -9.808 2.200 463 HA HIS 62 HA HIS 62 -11.717 -8.198 3.031 464 HB2 HIS 62 HB2 HIS 62 -11.215 -9.980 0.633 465 HB3 HIS 62 HB1 HIS 62 -12.743 -9.157 0.880 466 HD2 HIS 62 HD2 HIS 62 -12.224 -6.178 1.264 467 HE1 HIS 62 HE1 HIS 62 -9.024 -6.333 -1.482 468 HE2 HIS 62 HE2 HIS 62 -10.627 -4.791 -0.264 469 H GLU 63 HN GLU 63 -13.424 -9.045 4.248 470 HA GLU 63 HA GLU 63 -13.460 -11.530 5.459 471 HB2 GLU 63 HB2 GLU 63 -15.093 -9.568 5.777 472 HB3 GLU 63 HB1 GLU 63 -16.029 -10.283 4.463 473 HG2 GLU 63 HG2 GLU 63 -15.939 -12.464 5.802 474 HG3 GLU 63 HG1 GLU 63 -15.357 -11.486 7.150 475 H ALA 64 HN ALA 64 -14.083 -10.896 2.114 476 HA ALA 64 HA ALA 64 -15.334 -13.546 1.670 477 HB1 ALA 64 HB1 ALA 64 -16.109 -11.490 0.448 478 HB2 ALA 64 HB2 ALA 64 -15.638 -12.818 -0.612 479 HB3 ALA 64 HB3 ALA 64 -14.548 -11.453 -0.372 480 H CYS 65 HN CYS 65 -12.191 -12.022 1.401 481 HA CYS 65 HA CYS 65 -11.099 -14.013 -0.447 482 HB2 CYS 65 HB2 CYS 65 -9.903 -11.799 1.205 483 HB3 CYS 65 HB1 CYS 65 -8.888 -12.937 0.326 484 H PHE 66 HN PHE 66 -11.292 -13.656 3.031 485 HA PHE 66 HA PHE 66 -9.247 -15.609 3.630 486 HB2 PHE 66 HB2 PHE 66 -10.427 -13.738 5.088 487 HB3 PHE 66 HB1 PHE 66 -11.540 -15.037 5.490 488 HD1 PHE 66 HD2 PHE 66 -10.156 -17.391 5.911 489 HD2 PHE 66 HD1 PHE 66 -8.717 -13.421 6.634 490 HE1 PHE 66 HE2 PHE 66 -8.532 -18.285 7.544 491 HE2 PHE 66 HE1 PHE 66 -7.081 -14.310 8.270 492 HZ PHE 66 HZ PHE 66 -6.988 -16.744 8.720 493 H HIS 67 HN HIS 67 -9.562 -17.629 2.712 494 HA HIS 67 HA HIS 67 -11.872 -19.173 3.673 495 HB2 HIS 67 HB2 HIS 67 -12.322 -19.970 1.274 496 HB3 HIS 67 HB1 HIS 67 -12.866 -18.344 1.675 497 HD2 HIS 67 HD2 HIS 67 -12.445 -17.532 -1.062 498 HE1 HIS 67 HE1 HIS 67 -8.236 -17.812 -0.873 499 HE2 HIS 67 HE2 HIS 67 -10.192 -16.972 -2.258 500 H CYS 68 HN CYS 68 -11.686 -21.539 2.754 501 HA CYS 68 HA CYS 68 -8.932 -22.426 3.281 502 HB2 CYS 68 HB2 CYS 68 -10.617 -23.812 4.271 503 HB3 CYS 68 HB1 CYS 68 -11.541 -23.879 2.781 504 H SER 69 HN SER 69 -7.581 -23.431 1.734 505 HA SER 69 HA SER 69 -8.003 -22.620 -1.009 506 HB2 SER 69 HB2 SER 69 -5.770 -22.979 0.237 507 HB3 SER 69 HB1 SER 69 -5.998 -24.688 -0.108 508 HG SER 69 HG SER 69 -5.102 -22.759 -1.716 509 H GLN 70 HN GLN 70 -8.757 -25.524 0.786 510 HA GLN 70 HA GLN 70 -9.224 -27.060 -1.726 511 HB2 GLN 70 HB2 GLN 70 -9.535 -28.014 1.128 512 HB3 GLN 70 HB1 GLN 70 -9.405 -29.004 -0.324 513 HG2 GLN 70 HG2 GLN 70 -7.208 -27.100 0.477 514 HG3 GLN 70 HG1 GLN 70 -7.276 -28.733 1.120 515 HE21 GLN 70 HE21 GLN 70 -5.876 -26.962 -1.290 516 HE22 GLN 70 HE22 GLN 70 -5.667 -28.174 -2.452 517 H CYS 71 HN CYS 71 -10.993 -26.176 1.245 518 HA CYS 71 HA CYS 71 -13.537 -27.035 -0.011 519 HB2 CYS 71 HB2 CYS 71 -13.314 -25.702 2.685 520 HB3 CYS 71 HB1 CYS 71 -14.496 -26.886 2.124 521 H ARG 72 HN ARG 72 -11.722 -24.233 -0.036 522 HA ARG 72 HA ARG 72 -12.251 -21.982 -0.415 523 HB2 ARG 72 HB2 ARG 72 -14.749 -22.926 -1.799 524 HB3 ARG 72 HB1 ARG 72 -13.610 -21.673 -2.288 525 HG2 ARG 72 HG2 ARG 72 -13.111 -24.659 -2.318 526 HG3 ARG 72 HG1 ARG 72 -13.345 -23.630 -3.725 527 HD2 ARG 72 HD2 ARG 72 -11.283 -22.312 -2.508 528 HD3 ARG 72 HD1 ARG 72 -10.925 -23.969 -2.028 529 HE ARG 72 HE ARG 72 -10.376 -22.884 -4.565 530 HH11 ARG 72 HH21 ARG 72 -12.070 -25.593 -3.248 531 HH12 ARG 72 HH22 ARG 72 -12.028 -26.493 -4.722 532 HH21 ARG 72 HH11 ARG 72 -10.300 -24.061 -6.475 533 HH22 ARG 72 HH12 ARG 72 -11.019 -25.635 -6.541 534 H ASN 73 HN ASN 73 -13.630 -23.506 1.901 535 HA ASN 73 HA ASN 73 -16.152 -22.141 2.311 536 HB2 ASN 73 HB2 ASN 73 -14.221 -23.667 4.048 537 HB3 ASN 73 HB1 ASN 73 -15.506 -22.732 4.815 538 HD21 ASN 73 HD21 ASN 73 -17.517 -23.728 4.965 539 HD22 ASN 73 HD22 ASN 73 -17.981 -25.109 4.098 540 H SER 74 HN SER 74 -16.458 -20.292 3.751 541 HA SER 74 HA SER 74 -14.163 -18.425 3.622 542 HB2 SER 74 HB2 SER 74 -16.894 -17.881 4.802 543 HB3 SER 74 HB1 SER 74 -15.729 -16.713 4.185 544 HG SER 74 HG SER 74 -16.453 -17.065 2.244 545 H LEU 75 HN LEU 75 -12.689 -19.053 5.252 546 HA LEU 75 HA LEU 75 -13.682 -19.701 7.938 547 HB2 LEU 75 HB2 LEU 75 -10.806 -19.110 7.292 548 HB3 LEU 75 HB1 LEU 75 -11.457 -20.189 8.509 549 HG LEU 75 HG LEU 75 -11.955 -20.747 5.575 550 HD11 LEU 75 HD11 LEU 75 -9.464 -20.408 6.024 551 HD12 LEU 75 HD12 LEU 75 -9.941 -21.963 5.370 552 HD13 LEU 75 HD13 LEU 75 -9.576 -21.813 7.082 553 HD21 LEU 75 HD21 LEU 75 -11.545 -22.602 7.921 554 HD22 LEU 75 HD22 LEU 75 -12.241 -22.990 6.348 555 HD23 LEU 75 HD23 LEU 75 -13.124 -21.958 7.473 556 H VAL 76 HN VAL 76 -14.331 -18.051 9.220 557 HA VAL 76 HA VAL 76 -12.596 -15.650 9.441 558 HB VAL 76 HB VAL 76 -15.595 -15.619 8.957 559 HG11 VAL 76 HG11 VAL 76 -15.220 -14.051 10.717 560 HG12 VAL 76 HG12 VAL 76 -15.255 -13.102 9.231 561 HG13 VAL 76 HG13 VAL 76 -13.713 -13.494 9.991 562 HG21 VAL 76 HG21 VAL 76 -14.968 -14.160 7.081 563 HG22 VAL 76 HG22 VAL 76 -14.121 -15.701 6.955 564 HG23 VAL 76 HG23 VAL 76 -13.271 -14.273 7.542 565 H ASP 77 HN ASP 77 -12.251 -15.245 11.610 566 HA ASP 77 HA ASP 77 -12.396 -15.622 13.929 567 HB2 ASP 77 HB2 ASP 77 -14.361 -14.199 13.755 568 HB3 ASP 77 HB1 ASP 77 -15.342 -15.552 13.197 569 H LYS 78 HN LYS 78 -12.687 -17.897 11.779 570 HA LYS 78 HA LYS 78 -13.620 -20.054 13.638 571 HB2 LYS 78 HB2 LYS 78 -13.689 -19.673 10.659 572 HB3 LYS 78 HB1 LYS 78 -13.509 -21.320 11.256 573 HG2 LYS 78 HG2 LYS 78 -15.578 -21.239 12.424 574 HG3 LYS 78 HG1 LYS 78 -15.665 -19.482 12.309 575 HD2 LYS 78 HD2 LYS 78 -17.208 -20.539 10.702 576 HD3 LYS 78 HD1 LYS 78 -15.938 -19.651 9.861 577 HE2 LYS 78 HE2 LYS 78 -16.460 -22.000 8.976 578 HE3 LYS 78 HE1 LYS 78 -14.764 -21.647 9.307 579 HZ1 LYS 78 HZ1 LYS 78 -14.734 -23.005 11.106 580 HZ2 LYS 78 HZ2 LYS 78 -15.945 -23.802 10.221 581 HZ3 LYS 78 HZ3 LYS 78 -16.367 -22.750 11.486 582 HA PRO 79 HA PRO 79 -9.412 -21.401 13.871 583 HB2 PRO 79 HB2 PRO 79 -9.784 -24.208 13.618 584 HB3 PRO 79 HB1 PRO 79 -9.774 -23.285 15.125 585 HG2 PRO 79 HG2 PRO 79 -12.071 -24.450 13.685 586 HG3 PRO 79 HG1 PRO 79 -11.983 -23.881 15.360 587 HD2 PRO 79 HD2 PRO 79 -13.284 -22.543 13.226 588 HD3 PRO 79 HD1 PRO 79 -12.880 -21.847 14.808 589 H PHE 80 HN PHE 80 -7.774 -21.599 12.344 590 HA PHE 80 HA PHE 80 -8.215 -23.161 9.874 591 HB2 PHE 80 HB2 PHE 80 -7.528 -21.264 8.408 592 HB3 PHE 80 HB1 PHE 80 -9.083 -20.976 9.198 593 HD1 PHE 80 HD1 PHE 80 -5.410 -20.244 9.450 594 HD2 PHE 80 HD2 PHE 80 -9.381 -19.091 10.593 595 HE1 PHE 80 HE1 PHE 80 -4.519 -18.180 10.491 596 HE2 PHE 80 HE2 PHE 80 -8.490 -17.028 11.634 597 HZ PHE 80 HZ PHE 80 -6.053 -16.571 11.579 598 H ALA 81 HN ALA 81 -6.231 -23.643 8.795 599 HA ALA 81 HA ALA 81 -3.836 -23.299 10.532 600 HB1 ALA 81 HB1 ALA 81 -2.897 -25.136 9.403 601 HB2 ALA 81 HB2 ALA 81 -3.921 -24.916 7.984 602 HB3 ALA 81 HB3 ALA 81 -4.606 -25.560 9.477 603 H ALA 82 HN ALA 82 -2.633 -21.535 10.071 604 HA ALA 82 HA ALA 82 -2.876 -20.171 7.501 605 HB1 ALA 82 HB1 ALA 82 -1.266 -19.684 10.008 606 HB2 ALA 82 HB2 ALA 82 -2.578 -18.716 9.340 607 HB3 ALA 82 HB3 ALA 82 -1.003 -18.723 8.553 608 H LYS 83 HN LYS 83 -1.917 -21.177 5.805 609 HA LYS 83 HA LYS 83 0.719 -22.487 6.137 610 HB2 LYS 83 HB2 LYS 83 -0.875 -23.730 4.821 611 HB3 LYS 83 HB1 LYS 83 -1.224 -22.330 3.818 612 HG2 LYS 83 HG2 LYS 83 0.845 -22.426 2.715 613 HG3 LYS 83 HG1 LYS 83 1.584 -23.402 3.986 614 HD2 LYS 83 HD2 LYS 83 0.278 -25.334 3.353 615 HD3 LYS 83 HD1 LYS 83 -0.675 -24.377 2.218 616 HE2 LYS 83 HE2 LYS 83 1.314 -23.965 0.850 617 HE3 LYS 83 HE1 LYS 83 2.315 -24.842 2.007 618 HZ1 LYS 83 HZ1 LYS 83 1.830 -26.681 0.901 619 HZ2 LYS 83 HZ2 LYS 83 0.737 -25.859 -0.107 620 HZ3 LYS 83 HZ3 LYS 83 0.209 -26.515 1.369 621 H GLU 84 HN GLU 84 2.449 -21.886 4.572 622 HA GLU 84 HA GLU 84 3.393 -19.358 4.754 623 HB2 GLU 84 HB2 GLU 84 3.585 -21.254 2.414 624 HB3 GLU 84 HB1 GLU 84 4.475 -19.734 2.450 625 HG2 GLU 84 HG2 GLU 84 5.577 -20.386 4.533 626 HG3 GLU 84 HG1 GLU 84 4.632 -21.874 4.592 627 H ASP 85 HN ASP 85 1.460 -20.299 1.849 628 HA ASP 85 HA ASP 85 0.679 -17.403 1.606 629 HB2 ASP 85 HB2 ASP 85 1.608 -19.420 -0.421 630 HB3 ASP 85 HB1 ASP 85 0.486 -18.162 -0.927 631 H GLN 86 HN GLN 86 -0.534 -20.389 2.380 632 HA GLN 86 HA GLN 86 -3.221 -19.716 1.198 633 HB2 GLN 86 HB2 GLN 86 -2.220 -22.514 1.730 634 HB3 GLN 86 HB1 GLN 86 -3.646 -22.027 0.821 635 HG2 GLN 86 HG2 GLN 86 -0.822 -21.302 -0.005 636 HG3 GLN 86 HG1 GLN 86 -1.679 -22.719 -0.586 637 HE21 GLN 86 HE21 GLN 86 -0.839 -20.011 -1.909 638 HE22 GLN 86 HE22 GLN 86 -2.260 -19.511 -2.691 639 H LEU 87 HN LEU 87 -5.000 -20.874 2.343 640 HA LEU 87 HA LEU 87 -4.535 -21.165 5.273 641 HB2 LEU 87 HB2 LEU 87 -6.661 -19.568 3.823 642 HB3 LEU 87 HB1 LEU 87 -6.983 -20.235 5.421 643 HG LEU 87 HG LEU 87 -4.440 -18.683 4.990 644 HD11 LEU 87 HD11 LEU 87 -7.221 -17.544 5.156 645 HD12 LEU 87 HD12 LEU 87 -5.878 -17.049 4.130 646 HD13 LEU 87 HD13 LEU 87 -5.860 -16.660 5.849 647 HD21 LEU 87 HD21 LEU 87 -4.506 -18.384 7.306 648 HD22 LEU 87 HD22 LEU 87 -5.188 -19.997 7.127 649 HD23 LEU 87 HD23 LEU 87 -6.248 -18.618 7.391 650 H LEU 88 HN LEU 88 -5.472 -23.019 6.067 651 HA LEU 88 HA LEU 88 -7.364 -24.522 4.282 652 HB2 LEU 88 HB2 LEU 88 -4.871 -25.511 5.689 653 HB3 LEU 88 HB1 LEU 88 -6.096 -26.591 5.036 654 HG LEU 88 HG LEU 88 -4.968 -24.462 3.230 655 HD11 LEU 88 HD11 LEU 88 -3.202 -26.144 2.535 656 HD12 LEU 88 HD12 LEU 88 -3.548 -27.002 4.037 657 HD13 LEU 88 HD13 LEU 88 -2.926 -25.352 4.086 658 HD21 LEU 88 HD21 LEU 88 -6.802 -25.864 2.428 659 HD22 LEU 88 HD22 LEU 88 -5.885 -27.320 2.820 660 HD23 LEU 88 HD23 LEU 88 -5.324 -26.241 1.543 661 H CYS 89 HN CYS 89 -8.505 -26.280 5.532 662 HA CYS 89 HA CYS 89 -9.362 -25.218 8.142 663 HB2 CYS 89 HB2 CYS 89 -10.274 -27.812 6.875 664 HB3 CYS 89 HB1 CYS 89 -11.135 -26.804 8.034 665 H THR 90 HN THR 90 -8.841 -26.200 10.115 666 HA THR 90 HA THR 90 -6.461 -27.610 10.429 667 HB THR 90 HB THR 90 -7.066 -27.892 12.654 668 HG1 THR 90 HG1 THR 90 -9.163 -28.536 13.256 669 HG21 THR 90 HG21 THR 90 -8.405 -26.074 13.344 670 HG22 THR 90 HG22 THR 90 -9.424 -26.166 11.908 671 HG23 THR 90 HG23 THR 90 -7.771 -25.563 11.780 672 H ASP 91 HN ASP 91 -9.380 -28.752 9.092 673 HA ASP 91 HA ASP 91 -8.832 -31.602 9.592 674 HB2 ASP 91 HB2 ASP 91 -10.830 -30.248 7.765 675 HB3 ASP 91 HB1 ASP 91 -10.780 -31.975 8.110 676 H CYS 92 HN CYS 92 -8.820 -29.386 6.790 677 HA CYS 92 HA CYS 92 -7.626 -31.364 5.031 678 HB2 CYS 92 HB2 CYS 92 -7.423 -28.409 4.495 679 HB3 CYS 92 HB1 CYS 92 -7.753 -29.725 3.370 680 H TYR 93 HN TYR 93 -6.425 -28.692 7.023 681 HA TYR 93 HA TYR 93 -3.743 -28.680 6.072 682 HB2 TYR 93 HB2 TYR 93 -4.835 -27.025 7.662 683 HB3 TYR 93 HB1 TYR 93 -4.593 -28.215 8.936 684 HD1 TYR 93 HD2 TYR 93 -2.722 -26.397 6.236 685 HD2 TYR 93 HD1 TYR 93 -2.548 -28.312 10.078 686 HE1 TYR 93 HE2 TYR 93 -0.363 -25.676 6.491 687 HE2 TYR 93 HE1 TYR 93 -0.190 -27.598 10.330 688 HH TYR 93 HH TYR 93 1.200 -25.233 8.654 689 H SER 94 HN SER 94 -5.206 -30.435 8.791 690 HA SER 94 HA SER 94 -2.826 -31.841 9.536 691 HB2 SER 94 HB2 SER 94 -4.599 -31.770 11.128 692 HB3 SER 94 HB1 SER 94 -5.765 -32.405 9.971 693 HG SER 94 HG SER 94 -3.751 -33.705 11.415 694 H ASN 95 HN ASN 95 -4.960 -32.263 6.863 695 HA ASN 95 HA ASN 95 -4.427 -35.115 6.517 696 HB2 ASN 95 HB2 ASN 95 -5.634 -33.031 4.680 697 HB3 ASN 95 HB1 ASN 95 -5.475 -34.734 4.254 698 HD21 ASN 95 HD21 ASN 95 -5.998 -34.260 7.617 699 HD22 ASN 95 HD22 ASN 95 -7.657 -34.617 7.640 700 H GLU 96 HN GLU 96 -2.927 -32.116 5.508 701 HA GLU 96 HA GLU 96 -0.949 -33.686 3.869 702 HB2 GLU 96 HB2 GLU 96 -0.494 -31.397 2.802 703 HB3 GLU 96 HB1 GLU 96 -2.021 -32.172 2.384 704 HG2 GLU 96 HG2 GLU 96 -3.273 -30.751 3.788 705 HG3 GLU 96 HG1 GLU 96 -1.852 -30.249 4.704 706 H TYR 97 HN TYR 97 -1.430 -31.668 6.608 707 HA TYR 97 HA TYR 97 1.349 -30.754 6.774 708 HB2 TYR 97 HB2 TYR 97 -0.411 -29.379 7.759 709 HB3 TYR 97 HB1 TYR 97 -0.918 -30.715 8.789 710 HD1 TYR 97 HD2 TYR 97 1.921 -28.415 8.053 711 HD2 TYR 97 HD1 TYR 97 0.179 -31.180 10.841 712 HE1 TYR 97 HE2 TYR 97 3.593 -27.747 9.758 713 HE2 TYR 97 HE1 TYR 97 1.852 -30.512 12.548 714 HH TYR 97 HH TYR 97 4.117 -29.513 12.608 715 H SER 98 HN SER 98 -0.559 -33.451 7.885 716 HA SER 98 HA SER 98 1.395 -34.331 9.872 717 HB2 SER 98 HB2 SER 98 -0.995 -34.907 10.100 718 HB3 SER 98 HB1 SER 98 -0.923 -35.813 8.592 719 HG SER 98 HG SER 98 0.891 -36.365 10.670 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -13.537 29.353 0.196 2 H2 MET 1 HT2 MET 1 -13.949 30.996 0.062 3 H3 MET 1 HT3 MET 1 -12.350 30.493 -0.213 4 HA MET 1 HA MET 1 -13.907 29.004 -1.945 5 HB2 MET 1 HB2 MET 1 -14.598 31.960 -1.997 6 HB3 MET 1 HB1 MET 1 -15.091 30.764 -3.197 7 HG2 MET 1 HG2 MET 1 -15.758 30.455 -0.265 8 HG3 MET 1 HG1 MET 1 -16.811 31.330 -1.377 9 HE1 MET 1 HE1 MET 1 -17.463 30.525 -3.570 10 HE2 MET 1 HE2 MET 1 -18.815 30.003 -2.569 11 HE3 MET 1 HE3 MET 1 -18.176 28.923 -3.805 12 H THR 2 HN THR 2 -11.693 31.544 -1.145 13 HA THR 2 HA THR 2 -10.624 31.808 -3.857 14 HB THR 2 HB THR 2 -10.572 33.668 -2.169 15 HG1 THR 2 HG1 THR 2 -8.789 34.374 -3.066 16 HG21 THR 2 HG21 THR 2 -8.304 32.124 -0.909 17 HG22 THR 2 HG22 THR 2 -9.952 32.050 -0.282 18 HG23 THR 2 HG23 THR 2 -9.089 33.587 -0.314 19 H GLU 3 HN GLU 3 -9.642 30.218 -0.835 20 HA GLU 3 HA GLU 3 -7.103 29.297 -1.581 21 HB2 GLU 3 HB2 GLU 3 -7.377 27.566 0.064 22 HB3 GLU 3 HB1 GLU 3 -8.234 28.982 0.660 23 HG2 GLU 3 HG2 GLU 3 -10.323 27.950 -0.482 24 HG3 GLU 3 HG1 GLU 3 -9.383 26.458 -0.539 25 H ARG 4 HN ARG 4 -6.674 26.852 -1.997 26 HA ARG 4 HA ARG 4 -8.077 26.178 -4.520 27 HB2 ARG 4 HB2 ARG 4 -5.554 25.089 -3.244 28 HB3 ARG 4 HB1 ARG 4 -6.161 24.645 -4.834 29 HG2 ARG 4 HG2 ARG 4 -5.651 27.539 -4.118 30 HG3 ARG 4 HG1 ARG 4 -4.344 26.508 -4.691 31 HD2 ARG 4 HD2 ARG 4 -5.864 25.946 -6.690 32 HD3 ARG 4 HD1 ARG 4 -6.869 27.293 -6.159 33 HE ARG 4 HE ARG 4 -4.335 28.388 -6.291 34 HH11 ARG 4 HH21 ARG 4 -6.382 26.572 -8.387 35 HH12 ARG 4 HH22 ARG 4 -5.771 27.300 -9.834 36 HH21 ARG 4 HH11 ARG 4 -3.526 29.353 -8.170 37 HH22 ARG 4 HH12 ARG 4 -4.155 28.875 -9.712 38 H PHE 5 HN PHE 5 -9.131 24.213 -4.809 39 HA PHE 5 HA PHE 5 -9.538 22.547 -2.345 40 HB2 PHE 5 HB2 PHE 5 -11.465 23.991 -3.437 41 HB3 PHE 5 HB1 PHE 5 -11.527 22.680 -4.606 42 HD1 PHE 5 HD1 PHE 5 -11.492 23.351 -0.934 43 HD2 PHE 5 HD2 PHE 5 -12.745 20.732 -4.089 44 HE1 PHE 5 HE1 PHE 5 -12.784 22.015 0.696 45 HE2 PHE 5 HE2 PHE 5 -14.046 19.387 -2.456 46 HZ PHE 5 HZ PHE 5 -14.064 20.023 -0.068 47 H ASP 6 HN ASP 6 -7.461 21.621 -3.439 48 HA ASP 6 HA ASP 6 -8.325 19.346 -5.181 49 HB2 ASP 6 HB2 ASP 6 -5.656 20.729 -5.517 50 HB3 ASP 6 HB1 ASP 6 -6.418 19.555 -6.591 51 H CYS 7 HN CYS 7 -7.209 17.417 -4.807 52 HA CYS 7 HA CYS 7 -6.330 16.961 -2.153 53 HB2 CYS 7 HB2 CYS 7 -7.083 15.101 -3.395 54 HB3 CYS 7 HB1 CYS 7 -5.991 15.435 -4.724 55 H HIS 8 HN HIS 8 -4.606 18.163 -1.425 56 HA HIS 8 HA HIS 8 -2.482 19.252 -2.817 57 HB2 HIS 8 HB2 HIS 8 -3.025 19.510 -0.378 58 HB3 HIS 8 HB1 HIS 8 -2.206 17.999 -0.084 59 HD2 HIS 8 HD2 HIS 8 -1.283 21.642 -1.318 60 HE1 HIS 8 HE1 HIS 8 2.276 19.630 -0.265 61 HE2 HIS 8 HE2 HIS 8 1.299 21.857 -0.994 62 H HIS 9 HN HIS 9 -2.977 15.866 -2.194 63 HA HIS 9 HA HIS 9 -0.130 15.241 -2.712 64 HB2 HIS 9 HB2 HIS 9 -1.242 13.919 -1.014 65 HB3 HIS 9 HB1 HIS 9 -2.508 13.456 -2.137 66 HD2 HIS 9 HD2 HIS 9 -1.049 10.853 -1.160 67 HE1 HIS 9 HE1 HIS 9 1.545 11.168 -4.480 68 HE2 HIS 9 HE2 HIS 9 0.685 9.611 -2.668 69 H CYS 10 HN CYS 10 -3.212 14.080 -4.211 70 HA CYS 10 HA CYS 10 -1.747 13.466 -6.697 71 HB2 CYS 10 HB2 CYS 10 -4.743 13.388 -6.329 72 HB3 CYS 10 HB1 CYS 10 -3.764 12.457 -7.457 73 H ASN 11 HN ASN 11 -3.134 16.158 -5.352 74 HA ASN 11 HA ASN 11 -3.790 18.242 -6.152 75 HB2 ASN 11 HB2 ASN 11 -1.593 18.318 -7.082 76 HB3 ASN 11 HB1 ASN 11 -2.062 17.276 -8.414 77 HD21 ASN 11 HD21 ASN 11 -2.771 20.500 -6.997 78 HD22 ASN 11 HD22 ASN 11 -3.194 21.225 -8.472 79 H GLU 12 HN GLU 12 -5.344 15.685 -6.909 80 HA GLU 12 HA GLU 12 -6.719 16.625 -9.372 81 HB2 GLU 12 HB2 GLU 12 -7.869 14.513 -9.354 82 HB3 GLU 12 HB1 GLU 12 -6.180 14.170 -8.983 83 HG2 GLU 12 HG2 GLU 12 -6.840 14.299 -6.522 84 HG3 GLU 12 HG1 GLU 12 -8.511 14.282 -7.056 85 H SER 13 HN SER 13 -8.679 17.669 -9.287 86 HA SER 13 HA SER 13 -9.645 18.957 -7.018 87 HB2 SER 13 HB2 SER 13 -11.830 19.098 -8.198 88 HB3 SER 13 HB1 SER 13 -10.475 19.474 -9.258 89 HG SER 13 HG SER 13 -10.570 17.241 -9.924 90 H LEU 14 HN LEU 14 -10.832 18.311 -5.208 91 HA LEU 14 HA LEU 14 -11.106 15.549 -4.577 92 HB2 LEU 14 HB2 LEU 14 -12.595 17.959 -3.526 93 HB3 LEU 14 HB1 LEU 14 -12.800 16.356 -2.870 94 HG LEU 14 HG LEU 14 -11.216 17.647 -1.553 95 HD11 LEU 14 HD11 LEU 14 -10.955 15.086 -2.187 96 HD12 LEU 14 HD12 LEU 14 -9.730 15.922 -1.237 97 HD13 LEU 14 HD13 LEU 14 -9.479 15.667 -2.961 98 HD21 LEU 14 HD21 LEU 14 -9.353 17.658 -3.904 99 HD22 LEU 14 HD22 LEU 14 -9.253 18.587 -2.411 100 HD23 LEU 14 HD23 LEU 14 -10.473 18.991 -3.616 101 H PHE 15 HN PHE 15 -12.587 14.101 -5.188 102 HA PHE 15 HA PHE 15 -14.434 14.826 -7.296 103 HB2 PHE 15 HB2 PHE 15 -14.858 12.387 -7.371 104 HB3 PHE 15 HB1 PHE 15 -13.144 12.780 -7.416 105 HD1 PHE 15 HD2 PHE 15 -11.798 12.675 -5.184 106 HD2 PHE 15 HD1 PHE 15 -15.740 11.019 -5.672 107 HE1 PHE 15 HE2 PHE 15 -11.476 11.301 -3.155 108 HE2 PHE 15 HE1 PHE 15 -15.400 9.627 -3.649 109 HZ PHE 15 HZ PHE 15 -13.271 9.770 -2.391 110 H GLY 16 HN GLY 16 -16.219 15.957 -6.529 111 HA2 GLY 16 HA2 GLY 16 -18.305 16.254 -5.480 112 HA3 GLY 16 HA1 GLY 16 -18.497 14.583 -5.979 113 H LYS 17 HN LYS 17 -16.027 14.848 -3.580 114 HA LYS 17 HA LYS 17 -18.081 14.201 -1.463 115 HB2 LYS 17 HB2 LYS 17 -17.210 12.123 -2.403 116 HB3 LYS 17 HB1 LYS 17 -15.560 12.658 -2.095 117 HG2 LYS 17 HG2 LYS 17 -15.795 12.499 0.238 118 HG3 LYS 17 HG1 LYS 17 -17.556 12.538 0.167 119 HD2 LYS 17 HD2 LYS 17 -16.089 10.257 -1.154 120 HD3 LYS 17 HD1 LYS 17 -16.289 10.248 0.596 121 HE2 LYS 17 HE2 LYS 17 -18.538 10.481 -1.429 122 HE3 LYS 17 HE1 LYS 17 -18.138 9.042 -0.493 123 HZ1 LYS 17 HZ1 LYS 17 -19.304 9.822 1.199 124 HZ2 LYS 17 HZ2 LYS 17 -19.774 11.156 0.257 125 HZ3 LYS 17 HZ3 LYS 17 -18.388 11.249 1.236 126 H LYS 18 HN LYS 18 -17.376 14.318 0.708 127 HA LYS 18 HA LYS 18 -16.044 16.624 1.461 128 HB2 LYS 18 HB2 LYS 18 -17.491 14.772 2.773 129 HB3 LYS 18 HB1 LYS 18 -15.890 14.210 3.250 130 HG2 LYS 18 HG2 LYS 18 -15.553 16.828 3.721 131 HG3 LYS 18 HG1 LYS 18 -17.295 16.768 3.934 132 HD2 LYS 18 HD2 LYS 18 -17.046 14.992 5.616 133 HD3 LYS 18 HD1 LYS 18 -15.298 14.996 5.379 134 HE2 LYS 18 HE2 LYS 18 -15.982 16.327 7.371 135 HE3 LYS 18 HE1 LYS 18 -15.162 17.310 6.157 136 HZ1 LYS 18 HZ1 LYS 18 -17.620 17.800 7.245 137 HZ2 LYS 18 HZ2 LYS 18 -17.977 17.172 5.707 138 HZ3 LYS 18 HZ3 LYS 18 -16.973 18.534 5.860 139 H TYR 19 HN TYR 19 -13.926 16.581 2.823 140 HA TYR 19 HA TYR 19 -11.942 14.642 1.743 141 HB2 TYR 19 HB2 TYR 19 -10.480 16.427 0.992 142 HB3 TYR 19 HB1 TYR 19 -12.060 16.608 0.233 143 HD1 TYR 19 HD1 TYR 19 -13.788 18.147 1.446 144 HD2 TYR 19 HD2 TYR 19 -9.561 18.233 2.169 145 HE1 TYR 19 HE1 TYR 19 -14.003 20.418 2.409 146 HE2 TYR 19 HE2 TYR 19 -9.773 20.512 3.131 147 HH TYR 19 HH TYR 19 -12.934 22.159 3.269 148 H ILE 20 HN ILE 20 -9.940 14.654 2.925 149 HA ILE 20 HA ILE 20 -10.279 15.584 5.755 150 HB ILE 20 HB ILE 20 -8.532 13.396 4.592 151 HG12 ILE 20 HG12 ILE 20 -10.915 12.916 6.383 152 HG13 ILE 20 HG11 ILE 20 -11.183 13.170 4.663 153 HG21 ILE 20 HG21 ILE 20 -8.396 12.758 7.059 154 HG22 ILE 20 HG22 ILE 20 -9.088 14.341 7.411 155 HG23 ILE 20 HG23 ILE 20 -7.529 14.222 6.595 156 HD11 ILE 20 HD11 ILE 20 -9.335 11.075 5.845 157 HD12 ILE 20 HD12 ILE 20 -9.643 11.330 4.127 158 HD13 ILE 20 HD13 ILE 20 -10.940 10.767 5.181 159 H LEU 21 HN LEU 21 -8.652 16.846 6.688 160 HA LEU 21 HA LEU 21 -6.596 17.919 4.827 161 HB2 LEU 21 HB2 LEU 21 -7.411 18.769 7.623 162 HB3 LEU 21 HB1 LEU 21 -6.097 19.505 6.700 163 HG LEU 21 HG LEU 21 -8.247 20.777 6.565 164 HD11 LEU 21 HD11 LEU 21 -6.422 20.551 4.673 165 HD12 LEU 21 HD12 LEU 21 -7.950 21.356 4.336 166 HD13 LEU 21 HD13 LEU 21 -7.702 19.696 3.821 167 HD21 LEU 21 HD21 LEU 21 -10.178 19.898 5.555 168 HD22 LEU 21 HD22 LEU 21 -9.611 18.555 6.544 169 HD23 LEU 21 HD23 LEU 21 -9.303 18.565 4.805 170 H ARG 22 HN ARG 22 -4.764 16.766 4.776 171 HA ARG 22 HA ARG 22 -3.737 15.518 7.304 172 HB2 ARG 22 HB2 ARG 22 -4.246 14.081 5.209 173 HB3 ARG 22 HB1 ARG 22 -2.824 14.853 4.506 174 HG2 ARG 22 HG2 ARG 22 -2.003 12.864 5.488 175 HG3 ARG 22 HG1 ARG 22 -1.578 14.138 6.623 176 HD2 ARG 22 HD2 ARG 22 -4.140 13.336 7.465 177 HD3 ARG 22 HD1 ARG 22 -3.372 11.841 7.003 178 HE ARG 22 HE ARG 22 -2.887 13.173 9.415 179 HH11 ARG 22 HH21 ARG 22 -1.027 12.091 6.712 180 HH12 ARG 22 HH22 ARG 22 0.443 11.970 7.614 181 HH21 ARG 22 HH11 ARG 22 -0.981 13.008 10.594 182 HH22 ARG 22 HH12 ARG 22 0.470 12.484 9.807 183 H GLU 23 HN GLU 23 -1.721 16.174 8.036 184 HA GLU 23 HA GLU 23 0.087 17.676 8.239 185 HB2 GLU 23 HB2 GLU 23 0.169 17.058 5.267 186 HB3 GLU 23 HB1 GLU 23 1.439 17.931 6.125 187 HG2 GLU 23 HG2 GLU 23 0.485 15.200 7.002 188 HG3 GLU 23 HG1 GLU 23 1.802 15.413 5.848 189 H GLU 24 HN GLU 24 -2.565 18.733 7.864 190 HA GLU 24 HA GLU 24 -3.615 20.784 7.496 191 HB2 GLU 24 HB2 GLU 24 -0.891 21.945 6.878 192 HB3 GLU 24 HB1 GLU 24 -2.294 22.754 7.572 193 HG2 GLU 24 HG2 GLU 24 -2.083 21.222 9.572 194 HG3 GLU 24 HG1 GLU 24 -0.550 20.665 8.902 195 H SER 25 HN SER 25 -3.390 18.935 5.309 196 HA SER 25 HA SER 25 -3.625 20.862 3.088 197 HB2 SER 25 HB2 SER 25 -2.012 18.373 2.605 198 HB3 SER 25 HB1 SER 25 -2.030 19.874 1.685 199 HG SER 25 HG SER 25 -0.357 20.343 2.866 200 HA PRO 26 HA PRO 26 -7.116 18.163 2.263 201 HB2 PRO 26 HB2 PRO 26 -7.375 18.838 -0.494 202 HB3 PRO 26 HB1 PRO 26 -8.225 19.598 0.854 203 HG2 PRO 26 HG2 PRO 26 -5.985 20.651 -0.740 204 HG3 PRO 26 HG1 PRO 26 -7.065 21.515 0.362 205 HD2 PRO 26 HD2 PRO 26 -4.357 20.836 0.877 206 HD3 PRO 26 HD1 PRO 26 -5.538 21.425 2.065 207 H TYR 27 HN TYR 27 -7.001 16.022 1.886 208 HA TYR 27 HA TYR 27 -5.312 14.992 -0.375 209 HB2 TYR 27 HB2 TYR 27 -5.685 14.012 2.463 210 HB3 TYR 27 HB1 TYR 27 -5.379 12.839 1.199 211 HD1 TYR 27 HD2 TYR 27 -3.548 15.812 0.332 212 HD2 TYR 27 HD1 TYR 27 -3.534 12.460 3.011 213 HE1 TYR 27 HE2 TYR 27 -1.133 16.088 0.648 214 HE2 TYR 27 HE1 TYR 27 -1.096 12.749 3.338 215 HH TYR 27 HH TYR 27 0.653 14.120 2.989 216 H CYS 28 HN CYS 28 -6.396 13.469 -1.685 217 HA CYS 28 HA CYS 28 -9.276 13.527 -1.563 218 HB2 CYS 28 HB2 CYS 28 -9.204 11.813 -3.332 219 HB3 CYS 28 HB1 CYS 28 -8.085 13.112 -3.691 220 H VAL 29 HN VAL 29 -10.689 11.822 -0.879 221 HA VAL 29 HA VAL 29 -10.192 10.554 1.523 222 HB VAL 29 HB VAL 29 -11.768 9.219 -0.687 223 HG11 VAL 29 HG11 VAL 29 -13.165 8.495 1.160 224 HG12 VAL 29 HG12 VAL 29 -12.226 9.469 2.293 225 HG13 VAL 29 HG13 VAL 29 -11.488 8.072 1.507 226 HG21 VAL 29 HG21 VAL 29 -12.456 11.498 -0.805 227 HG22 VAL 29 HG22 VAL 29 -12.390 11.688 0.948 228 HG23 VAL 29 HG23 VAL 29 -13.656 10.703 0.214 229 H VAL 30 HN VAL 30 -9.793 9.099 -1.687 230 HA VAL 30 HA VAL 30 -8.786 6.604 -1.044 231 HB VAL 30 HB VAL 30 -7.569 8.318 -3.212 232 HG11 VAL 30 HG11 VAL 30 -7.498 6.163 -4.399 233 HG12 VAL 30 HG12 VAL 30 -8.257 5.373 -3.016 234 HG13 VAL 30 HG13 VAL 30 -6.640 6.061 -2.861 235 HG21 VAL 30 HG21 VAL 30 -10.298 7.022 -3.044 236 HG22 VAL 30 HG22 VAL 30 -9.534 7.413 -4.585 237 HG23 VAL 30 HG23 VAL 30 -9.915 8.698 -3.439 238 H CYS 31 HN CYS 31 -6.774 9.566 -1.489 239 HA CYS 31 HA CYS 31 -4.284 8.488 -0.882 240 HB2 CYS 31 HB2 CYS 31 -5.506 11.172 -0.471 241 HB3 CYS 31 HB1 CYS 31 -4.033 10.838 0.435 242 H PHE 32 HN PHE 32 -6.318 10.101 1.569 243 HA PHE 32 HA PHE 32 -4.961 9.312 3.860 244 HB2 PHE 32 HB2 PHE 32 -7.039 10.765 3.730 245 HB3 PHE 32 HB1 PHE 32 -7.983 9.278 3.634 246 HD1 PHE 32 HD1 PHE 32 -7.746 7.559 5.504 247 HD2 PHE 32 HD2 PHE 32 -6.268 11.579 5.816 248 HE1 PHE 32 HE1 PHE 32 -7.660 7.337 7.975 249 HE2 PHE 32 HE2 PHE 32 -6.180 11.360 8.282 250 HZ PHE 32 HZ PHE 32 -6.876 9.237 9.364 251 H GLU 33 HN GLU 33 -7.457 7.386 2.160 252 HA GLU 33 HA GLU 33 -7.284 5.172 3.977 253 HB2 GLU 33 HB2 GLU 33 -8.263 5.356 1.126 254 HB3 GLU 33 HB1 GLU 33 -8.495 3.957 2.175 255 HG2 GLU 33 HG2 GLU 33 -9.343 6.721 3.039 256 HG3 GLU 33 HG1 GLU 33 -10.397 5.694 2.080 257 H THR 34 HN THR 34 -6.214 5.284 0.555 258 HA THR 34 HA THR 34 -4.732 2.925 0.571 259 HB THR 34 HB THR 34 -5.262 4.630 -1.350 260 HG1 THR 34 HG1 THR 34 -3.031 3.710 -2.218 261 HG21 THR 34 HG21 THR 34 -2.383 5.369 -0.825 262 HG22 THR 34 HG22 THR 34 -3.730 6.373 -0.298 263 HG23 THR 34 HG23 THR 34 -3.486 6.064 -2.013 264 H LEU 35 HN LEU 35 -3.556 6.166 1.472 265 HA LEU 35 HA LEU 35 -0.849 5.514 1.876 266 HB2 LEU 35 HB2 LEU 35 -2.614 7.453 3.378 267 HB3 LEU 35 HB1 LEU 35 -0.867 7.383 3.563 268 HG LEU 35 HG LEU 35 -2.176 7.761 0.859 269 HD11 LEU 35 HD11 LEU 35 -1.799 10.171 1.147 270 HD12 LEU 35 HD12 LEU 35 -1.242 9.890 2.797 271 HD13 LEU 35 HD13 LEU 35 -2.919 9.558 2.364 272 HD21 LEU 35 HD21 LEU 35 0.113 7.166 0.593 273 HD22 LEU 35 HD22 LEU 35 0.614 8.120 1.987 274 HD23 LEU 35 HD23 LEU 35 0.114 8.924 0.502 275 H PHE 36 HN PHE 36 -3.360 5.601 4.433 276 HA PHE 36 HA PHE 36 -1.555 3.987 6.164 277 HB2 PHE 36 HB2 PHE 36 -4.223 5.030 7.065 278 HB3 PHE 36 HB1 PHE 36 -2.721 4.863 7.969 279 HD1 PHE 36 HD2 PHE 36 -0.796 6.174 6.075 280 HD2 PHE 36 HD1 PHE 36 -4.748 7.320 7.312 281 HE1 PHE 36 HE2 PHE 36 -0.259 8.541 5.595 282 HE2 PHE 36 HE1 PHE 36 -4.208 9.685 6.828 283 HZ PHE 36 HZ PHE 36 -1.962 10.299 5.969 284 H ALA 37 HN ALA 37 -3.984 3.275 3.982 285 HA ALA 37 HA ALA 37 -5.598 1.428 5.439 286 HB1 ALA 37 HB1 ALA 37 -5.806 0.309 3.080 287 HB2 ALA 37 HB2 ALA 37 -4.870 1.698 2.535 288 HB3 ALA 37 HB3 ALA 37 -6.434 1.940 3.309 289 H ASN 38 HN ASN 38 -5.484 -0.917 5.434 290 HA ASN 38 HA ASN 38 -2.729 -1.894 5.813 291 HB2 ASN 38 HB2 ASN 38 -5.479 -3.030 6.341 292 HB3 ASN 38 HB1 ASN 38 -4.031 -4.022 6.466 293 HD21 ASN 38 HD21 ASN 38 -2.268 -3.100 7.977 294 HD22 ASN 38 HD22 ASN 38 -2.786 -2.261 9.359 295 H THR 39 HN THR 39 -1.947 -3.818 4.694 296 HA THR 39 HA THR 39 -2.939 -3.948 1.905 297 HB THR 39 HB THR 39 -0.605 -5.502 3.038 298 HG1 THR 39 HG1 THR 39 -0.917 -2.787 2.698 299 HG21 THR 39 HG21 THR 39 0.170 -5.495 0.788 300 HG22 THR 39 HG22 THR 39 -0.969 -4.232 0.319 301 HG23 THR 39 HG23 THR 39 -1.554 -5.855 0.686 302 H CYS 40 HN CYS 40 -4.018 -5.683 1.067 303 HA CYS 40 HA CYS 40 -4.830 -7.841 2.923 304 HB2 CYS 40 HB2 CYS 40 -6.632 -7.045 1.607 305 HB3 CYS 40 HB1 CYS 40 -5.662 -7.003 0.139 306 H GLU 41 HN GLU 41 -3.233 -9.275 3.171 307 HA GLU 41 HA GLU 41 -1.128 -9.946 1.518 308 HB2 GLU 41 HB2 GLU 41 -2.716 -11.896 3.204 309 HB3 GLU 41 HB1 GLU 41 -1.038 -12.076 2.697 310 HG2 GLU 41 HG2 GLU 41 -0.398 -10.089 3.966 311 HG3 GLU 41 HG1 GLU 41 -2.076 -9.783 4.397 312 H GLU 42 HN GLU 42 -4.470 -10.660 0.944 313 HA GLU 42 HA GLU 42 -3.855 -12.828 -0.971 314 HB2 GLU 42 HB2 GLU 42 -5.996 -12.609 0.523 315 HB3 GLU 42 HB1 GLU 42 -6.552 -11.494 -0.721 316 HG2 GLU 42 HG2 GLU 42 -5.627 -14.335 -1.235 317 HG3 GLU 42 HG1 GLU 42 -7.311 -13.821 -1.139 318 H CYS 43 HN CYS 43 -5.431 -9.604 -1.206 319 HA CYS 43 HA CYS 43 -5.083 -9.585 -4.114 320 HB2 CYS 43 HB2 CYS 43 -5.902 -7.333 -2.253 321 HB3 CYS 43 HB1 CYS 43 -6.095 -7.361 -4.005 322 H GLY 44 HN GLY 44 -3.655 -7.906 -1.330 323 HA2 GLY 44 HA2 GLY 44 -1.350 -7.220 -1.207 324 HA3 GLY 44 HA1 GLY 44 -1.243 -7.322 -2.967 325 H LYS 45 HN LYS 45 -4.103 -5.906 -2.565 326 HA LYS 45 HA LYS 45 -2.992 -3.198 -2.959 327 HB2 LYS 45 HB2 LYS 45 -5.855 -4.176 -3.167 328 HB3 LYS 45 HB1 LYS 45 -5.239 -2.632 -3.750 329 HG2 LYS 45 HG2 LYS 45 -3.623 -3.983 -5.200 330 HG3 LYS 45 HG1 LYS 45 -4.596 -5.396 -4.790 331 HD2 LYS 45 HD2 LYS 45 -5.656 -2.862 -6.081 332 HD3 LYS 45 HD1 LYS 45 -5.330 -4.374 -6.928 333 HE2 LYS 45 HE2 LYS 45 -6.927 -5.460 -5.203 334 HE3 LYS 45 HE1 LYS 45 -7.442 -3.810 -4.847 335 HZ1 LYS 45 HZ1 LYS 45 -8.886 -4.503 -6.503 336 HZ2 LYS 45 HZ2 LYS 45 -7.674 -5.312 -7.377 337 HZ3 LYS 45 HZ3 LYS 45 -7.725 -3.614 -7.362 338 HA PRO 46 HA PRO 46 -3.937 -1.879 1.180 339 HB2 PRO 46 HB2 PRO 46 -5.178 0.628 0.359 340 HB3 PRO 46 HB1 PRO 46 -3.586 0.381 1.088 341 HG2 PRO 46 HG2 PRO 46 -4.181 1.037 -1.658 342 HG3 PRO 46 HG1 PRO 46 -2.589 0.764 -0.935 343 HD2 PRO 46 HD2 PRO 46 -3.997 -0.960 -2.753 344 HD3 PRO 46 HD1 PRO 46 -2.431 -1.257 -1.976 345 H ILE 47 HN ILE 47 -5.739 -2.016 2.560 346 HA ILE 47 HA ILE 47 -8.335 -2.656 1.259 347 HB ILE 47 HB ILE 47 -7.452 -2.968 4.149 348 HG12 ILE 47 HG12 ILE 47 -7.516 -4.920 1.829 349 HG13 ILE 47 HG11 ILE 47 -6.084 -4.345 2.673 350 HG21 ILE 47 HG21 ILE 47 -9.951 -2.856 3.687 351 HG22 ILE 47 HG22 ILE 47 -9.403 -4.364 4.413 352 HG23 ILE 47 HG23 ILE 47 -9.756 -4.293 2.691 353 HD11 ILE 47 HD11 ILE 47 -8.044 -6.409 3.479 354 HD12 ILE 47 HD12 ILE 47 -7.522 -5.332 4.773 355 HD13 ILE 47 HD13 ILE 47 -6.332 -6.269 3.870 356 H GLY 48 HN GLY 48 -9.534 -0.831 0.928 357 HA2 GLY 48 HA2 GLY 48 -9.320 1.513 2.627 358 HA3 GLY 48 HA1 GLY 48 -10.502 1.278 1.338 359 H CYS 49 HN CYS 49 -11.022 2.347 4.005 360 HA CYS 49 HA CYS 49 -12.278 0.311 5.626 361 HB2 CYS 49 HB2 CYS 49 -11.516 2.589 6.437 362 HB3 CYS 49 HB1 CYS 49 -12.912 3.273 5.603 363 HG CYS 49 HG CYS 49 -14.027 2.764 7.783 364 H ASP 50 HN ASP 50 -13.201 1.946 2.752 365 HA ASP 50 HA ASP 50 -16.062 1.869 3.115 366 HB2 ASP 50 HB2 ASP 50 -14.544 1.728 0.495 367 HB3 ASP 50 HB1 ASP 50 -16.194 2.300 0.742 368 H CYS 51 HN CYS 51 -13.698 -0.540 2.508 369 HA CYS 51 HA CYS 51 -15.751 -2.471 1.500 370 HB2 CYS 51 HB2 CYS 51 -12.721 -2.634 1.584 371 HB3 CYS 51 HB1 CYS 51 -13.784 -3.898 0.965 372 HG CYS 51 HG CYS 51 -13.831 -1.056 -0.334 373 H LYS 52 HN LYS 52 -15.490 -4.729 2.467 374 HA LYS 52 HA LYS 52 -15.602 -4.501 5.366 375 HB2 LYS 52 HB2 LYS 52 -16.820 -6.148 3.573 376 HB3 LYS 52 HB1 LYS 52 -15.510 -7.204 4.079 377 HG2 LYS 52 HG2 LYS 52 -17.172 -7.721 5.642 378 HG3 LYS 52 HG1 LYS 52 -16.232 -6.509 6.508 379 HD2 LYS 52 HD2 LYS 52 -18.399 -5.694 6.822 380 HD3 LYS 52 HD1 LYS 52 -17.919 -4.811 5.377 381 HE2 LYS 52 HE2 LYS 52 -18.941 -6.932 4.134 382 HE3 LYS 52 HE1 LYS 52 -19.831 -7.109 5.645 383 HZ1 LYS 52 HZ1 LYS 52 -21.127 -5.406 5.121 384 HZ2 LYS 52 HZ2 LYS 52 -20.445 -5.432 3.565 385 HZ3 LYS 52 HZ3 LYS 52 -19.806 -4.405 4.759 386 H ASP 53 HN ASP 53 -13.537 -4.015 6.155 387 HA ASP 53 HA ASP 53 -11.212 -5.586 5.265 388 HB2 ASP 53 HB2 ASP 53 -10.919 -3.204 5.758 389 HB3 ASP 53 HB1 ASP 53 -11.489 -3.455 7.397 390 H LEU 54 HN LEU 54 -10.696 -7.482 6.171 391 HA LEU 54 HA LEU 54 -11.892 -8.255 8.759 392 HB2 LEU 54 HB2 LEU 54 -11.716 -9.616 6.432 393 HB3 LEU 54 HB1 LEU 54 -10.191 -10.122 7.124 394 HG LEU 54 HG LEU 54 -12.937 -11.008 7.752 395 HD11 LEU 54 HD11 LEU 54 -10.174 -12.092 8.323 396 HD12 LEU 54 HD12 LEU 54 -11.281 -12.573 7.039 397 HD13 LEU 54 HD13 LEU 54 -11.666 -12.944 8.715 398 HD21 LEU 54 HD21 LEU 54 -11.197 -10.078 10.034 399 HD22 LEU 54 HD22 LEU 54 -12.254 -11.464 10.237 400 HD23 LEU 54 HD23 LEU 54 -12.938 -9.899 9.828 401 H SER 55 HN SER 55 -10.621 -8.209 10.599 402 HA SER 55 HA SER 55 -7.639 -8.011 10.259 403 HB2 SER 55 HB2 SER 55 -7.693 -6.907 12.502 404 HB3 SER 55 HB1 SER 55 -8.582 -6.009 11.275 405 HG SER 55 HG SER 55 -9.464 -7.001 13.580 406 H TYR 56 HN TYR 56 -6.533 -9.787 10.953 407 HA TYR 56 HA TYR 56 -7.566 -11.311 13.289 408 HB2 TYR 56 HB2 TYR 56 -8.313 -12.276 10.957 409 HB3 TYR 56 HB1 TYR 56 -6.642 -12.827 10.847 410 HD1 TYR 56 HD1 TYR 56 -5.710 -14.106 12.896 411 HD2 TYR 56 HD2 TYR 56 -9.891 -13.571 12.140 412 HE1 TYR 56 HE1 TYR 56 -6.215 -16.024 14.386 413 HE2 TYR 56 HE2 TYR 56 -10.406 -15.490 13.625 414 HH TYR 56 HH TYR 56 -9.371 -16.703 15.487 415 H LYS 57 HN LYS 57 -5.905 -11.886 14.623 416 HA LYS 57 HA LYS 57 -3.713 -11.830 15.469 417 HB2 LYS 57 HB2 LYS 57 -3.852 -14.011 14.221 418 HB3 LYS 57 HB1 LYS 57 -3.092 -13.203 12.849 419 HG2 LYS 57 HG2 LYS 57 -1.103 -12.752 14.134 420 HG3 LYS 57 HG1 LYS 57 -1.883 -13.265 15.627 421 HD2 LYS 57 HD2 LYS 57 -0.417 -15.045 14.814 422 HD3 LYS 57 HD1 LYS 57 -2.099 -15.560 14.700 423 HE2 LYS 57 HE2 LYS 57 -0.787 -14.230 12.338 424 HE3 LYS 57 HE1 LYS 57 -0.504 -15.942 12.652 425 HZ1 LYS 57 HZ1 LYS 57 -2.464 -16.395 11.773 426 HZ2 LYS 57 HZ2 LYS 57 -2.738 -14.746 11.470 427 HZ3 LYS 57 HZ3 LYS 57 -3.239 -15.438 12.939 428 H ASP 58 HN ASP 58 -3.985 -9.394 14.832 429 HA ASP 58 HA ASP 58 -3.012 -7.431 14.012 430 HB2 ASP 58 HB2 ASP 58 -1.192 -8.387 15.415 431 HB3 ASP 58 HB1 ASP 58 -0.542 -9.180 13.979 432 H ARG 59 HN ARG 59 -3.664 -9.802 11.926 433 HA ARG 59 HA ARG 59 -2.168 -8.548 9.641 434 HB2 ARG 59 HB2 ARG 59 -3.465 -11.272 9.908 435 HB3 ARG 59 HB1 ARG 59 -2.849 -10.621 8.392 436 HG2 ARG 59 HG2 ARG 59 -0.619 -10.506 9.245 437 HG3 ARG 59 HG1 ARG 59 -1.157 -10.844 10.885 438 HD2 ARG 59 HD2 ARG 59 -1.909 -13.073 10.199 439 HD3 ARG 59 HD1 ARG 59 -1.404 -12.742 8.544 440 HE ARG 59 HE ARG 59 0.894 -12.317 10.039 441 HH11 ARG 59 HH21 ARG 59 -1.421 -14.844 9.662 442 HH12 ARG 59 HH22 ARG 59 -0.286 -16.113 9.981 443 HH21 ARG 59 HH11 ARG 59 2.390 -13.959 10.457 444 HH22 ARG 59 HH12 ARG 59 1.872 -15.611 10.431 445 H HIS 60 HN HIS 60 -3.523 -8.446 7.587 446 HA HIS 60 HA HIS 60 -6.392 -7.817 8.240 447 HB2 HIS 60 HB2 HIS 60 -4.490 -6.307 6.432 448 HB3 HIS 60 HB1 HIS 60 -6.217 -5.980 6.572 449 HD2 HIS 60 HD2 HIS 60 -6.931 -4.433 8.784 450 HE1 HIS 60 HE1 HIS 60 -3.160 -4.432 10.682 451 HE2 HIS 60 HE2 HIS 60 -5.510 -3.472 10.751 452 H TRP 61 HN TRP 61 -7.902 -8.234 6.587 453 HA TRP 61 HA TRP 61 -7.048 -9.419 4.038 454 HB2 TRP 61 HB2 TRP 61 -7.987 -11.040 6.376 455 HB3 TRP 61 HB1 TRP 61 -8.661 -11.480 4.812 456 HD1 TRP 61 HD1 TRP 61 -6.520 -11.548 2.821 457 HE1 TRP 61 HE1 TRP 61 -4.354 -12.927 3.057 458 HE3 TRP 61 HE3 TRP 61 -6.388 -12.123 7.897 459 HZ2 TRP 61 HZ2 TRP 61 -2.774 -14.115 5.124 460 HZ3 TRP 61 HZ3 TRP 61 -4.541 -13.379 8.972 461 HH2 TRP 61 HH2 TRP 61 -2.739 -14.380 7.590 462 H HIS 62 HN HIS 62 -8.832 -9.443 2.540 463 HA HIS 62 HA HIS 62 -11.094 -7.751 3.286 464 HB2 HIS 62 HB2 HIS 62 -10.514 -9.448 0.844 465 HB3 HIS 62 HB1 HIS 62 -12.019 -8.573 1.033 466 HD2 HIS 62 HD2 HIS 62 -11.415 -5.638 1.566 467 HE1 HIS 62 HE1 HIS 62 -8.051 -5.823 -0.977 468 HE2 HIS 62 HE2 HIS 62 -9.671 -4.261 0.198 469 H GLU 63 HN GLU 63 -12.969 -8.542 4.257 470 HA GLU 63 HA GLU 63 -13.250 -11.033 5.415 471 HB2 GLU 63 HB2 GLU 63 -14.822 -8.946 5.468 472 HB3 GLU 63 HB1 GLU 63 -15.666 -9.743 4.141 473 HG2 GLU 63 HG2 GLU 63 -15.705 -11.825 5.668 474 HG3 GLU 63 HG1 GLU 63 -15.270 -10.720 6.972 475 H ALA 64 HN ALA 64 -13.586 -10.296 2.020 476 HA ALA 64 HA ALA 64 -14.829 -12.915 1.415 477 HB1 ALA 64 HB1 ALA 64 -13.907 -10.698 -0.434 478 HB2 ALA 64 HB2 ALA 64 -15.549 -10.903 0.175 479 HB3 ALA 64 HB3 ALA 64 -14.852 -12.111 -0.904 480 H CYS 65 HN CYS 65 -11.640 -11.486 1.467 481 HA CYS 65 HA CYS 65 -10.481 -13.434 -0.393 482 HB2 CYS 65 HB2 CYS 65 -9.329 -11.333 1.428 483 HB3 CYS 65 HB1 CYS 65 -8.296 -12.476 0.576 484 H PHE 66 HN PHE 66 -10.904 -13.181 3.077 485 HA PHE 66 HA PHE 66 -9.008 -15.265 3.724 486 HB2 PHE 66 HB2 PHE 66 -10.183 -13.396 5.195 487 HB3 PHE 66 HB1 PHE 66 -11.386 -14.650 5.460 488 HD1 PHE 66 HD2 PHE 66 -10.144 -17.095 5.832 489 HD2 PHE 66 HD1 PHE 66 -8.574 -13.247 6.870 490 HE1 PHE 66 HE2 PHE 66 -8.683 -18.157 7.514 491 HE2 PHE 66 HE1 PHE 66 -7.095 -14.307 8.557 492 HZ PHE 66 HZ PHE 66 -7.150 -16.765 8.873 493 H HIS 67 HN HIS 67 -9.393 -17.176 2.620 494 HA HIS 67 HA HIS 67 -11.805 -18.670 3.394 495 HB2 HIS 67 HB2 HIS 67 -12.225 -19.269 0.944 496 HB3 HIS 67 HB1 HIS 67 -12.672 -17.633 1.423 497 HD2 HIS 67 HD2 HIS 67 -12.090 -16.559 -1.153 498 HE1 HIS 67 HE1 HIS 67 -7.953 -17.393 -1.035 499 HE2 HIS 67 HE2 HIS 67 -9.780 -16.170 -2.306 500 H CYS 68 HN CYS 68 -11.675 -20.966 2.312 501 HA CYS 68 HA CYS 68 -8.994 -22.005 2.898 502 HB2 CYS 68 HB2 CYS 68 -10.801 -23.363 3.686 503 HB3 CYS 68 HB1 CYS 68 -11.622 -23.305 2.132 504 H SER 69 HN SER 69 -7.594 -22.942 1.361 505 HA SER 69 HA SER 69 -7.817 -21.919 -1.334 506 HB2 SER 69 HB2 SER 69 -5.678 -22.451 0.001 507 HB3 SER 69 HB1 SER 69 -5.953 -24.127 -0.455 508 HG SER 69 HG SER 69 -4.603 -22.914 -1.927 509 H GLN 70 HN GLN 70 -8.807 -24.895 0.197 510 HA GLN 70 HA GLN 70 -9.166 -26.241 -2.439 511 HB2 GLN 70 HB2 GLN 70 -9.707 -27.360 0.319 512 HB3 GLN 70 HB1 GLN 70 -9.526 -28.261 -1.185 513 HG2 GLN 70 HG2 GLN 70 -7.304 -26.519 -0.124 514 HG3 GLN 70 HG1 GLN 70 -7.486 -28.184 0.405 515 HE21 GLN 70 HE21 GLN 70 -5.856 -26.334 -1.793 516 HE22 GLN 70 HE22 GLN 70 -5.624 -27.481 -3.016 517 H CYS 71 HN CYS 71 -11.088 -25.460 0.464 518 HA CYS 71 HA CYS 71 -13.579 -26.104 -1.016 519 HB2 CYS 71 HB2 CYS 71 -13.485 -24.995 1.787 520 HB3 CYS 71 HB1 CYS 71 -14.673 -26.076 1.057 521 H ARG 72 HN ARG 72 -11.651 -23.385 -0.665 522 HA ARG 72 HA ARG 72 -12.069 -21.093 -0.888 523 HB2 ARG 72 HB2 ARG 72 -14.369 -22.140 -2.557 524 HB3 ARG 72 HB1 ARG 72 -13.631 -20.546 -2.670 525 HG2 ARG 72 HG2 ARG 72 -12.173 -23.155 -3.164 526 HG3 ARG 72 HG1 ARG 72 -12.791 -22.096 -4.430 527 HD2 ARG 72 HD2 ARG 72 -11.371 -20.250 -3.190 528 HD3 ARG 72 HD1 ARG 72 -10.503 -21.639 -2.534 529 HE ARG 72 HE ARG 72 -10.580 -22.144 -5.252 530 HH11 ARG 72 HH21 ARG 72 -9.634 -19.525 -3.221 531 HH12 ARG 72 HH22 ARG 72 -8.399 -18.961 -4.297 532 HH21 ARG 72 HH11 ARG 72 -8.972 -21.423 -6.670 533 HH22 ARG 72 HH12 ARG 72 -8.024 -20.037 -6.249 534 H ASN 73 HN ASN 73 -13.649 -22.763 1.190 535 HA ASN 73 HA ASN 73 -16.153 -21.373 1.570 536 HB2 ASN 73 HB2 ASN 73 -14.337 -22.957 3.390 537 HB3 ASN 73 HB1 ASN 73 -15.790 -22.169 4.005 538 HD21 ASN 73 HD21 ASN 73 -17.602 -22.572 1.964 539 HD22 ASN 73 HD22 ASN 73 -17.864 -24.229 1.726 540 H SER 74 HN SER 74 -16.518 -19.573 3.033 541 HA SER 74 HA SER 74 -14.178 -17.782 3.209 542 HB2 SER 74 HB2 SER 74 -16.964 -17.246 4.257 543 HB3 SER 74 HB1 SER 74 -15.736 -16.071 3.796 544 HG SER 74 HG SER 74 -16.246 -16.339 1.758 545 H LEU 75 HN LEU 75 -12.827 -18.590 4.869 546 HA LEU 75 HA LEU 75 -14.000 -19.330 7.460 547 HB2 LEU 75 HB2 LEU 75 -11.070 -18.910 6.889 548 HB3 LEU 75 HB1 LEU 75 -11.800 -19.927 8.118 549 HG LEU 75 HG LEU 75 -12.347 -20.483 5.197 550 HD11 LEU 75 HD11 LEU 75 -10.341 -22.192 5.606 551 HD12 LEU 75 HD12 LEU 75 -9.779 -20.904 6.661 552 HD13 LEU 75 HD13 LEU 75 -10.069 -20.579 4.956 553 HD21 LEU 75 HD21 LEU 75 -12.657 -22.736 6.026 554 HD22 LEU 75 HD22 LEU 75 -13.587 -21.627 7.035 555 HD23 LEU 75 HD23 LEU 75 -12.051 -22.271 7.616 556 H VAL 76 HN VAL 76 -14.601 -17.709 8.804 557 HA VAL 76 HA VAL 76 -12.721 -15.453 9.249 558 HB VAL 76 HB VAL 76 -15.682 -15.176 8.629 559 HG11 VAL 76 HG11 VAL 76 -15.286 -13.729 10.479 560 HG12 VAL 76 HG12 VAL 76 -15.164 -12.705 9.048 561 HG13 VAL 76 HG13 VAL 76 -13.703 -13.259 9.864 562 HG21 VAL 76 HG21 VAL 76 -13.129 -14.156 7.351 563 HG22 VAL 76 HG22 VAL 76 -14.723 -13.518 6.954 564 HG23 VAL 76 HG23 VAL 76 -14.344 -15.209 6.627 565 H ASP 77 HN ASP 77 -12.449 -15.202 11.440 566 HA ASP 77 HA ASP 77 -12.728 -15.682 13.726 567 HB2 ASP 77 HB2 ASP 77 -14.571 -14.106 13.546 568 HB3 ASP 77 HB1 ASP 77 -15.624 -15.349 12.876 569 H LYS 78 HN LYS 78 -13.088 -17.812 11.448 570 HA LYS 78 HA LYS 78 -14.267 -19.985 13.138 571 HB2 LYS 78 HB2 LYS 78 -14.182 -19.430 10.193 572 HB3 LYS 78 HB1 LYS 78 -14.103 -21.120 10.679 573 HG2 LYS 78 HG2 LYS 78 -16.211 -21.014 11.776 574 HG3 LYS 78 HG1 LYS 78 -16.218 -19.251 11.761 575 HD2 LYS 78 HD2 LYS 78 -17.730 -20.185 10.030 576 HD3 LYS 78 HD1 LYS 78 -16.417 -19.252 9.313 577 HE2 LYS 78 HE2 LYS 78 -15.251 -21.202 8.636 578 HE3 LYS 78 HE1 LYS 78 -16.201 -22.241 9.698 579 HZ1 LYS 78 HZ1 LYS 78 -17.730 -22.489 8.134 580 HZ2 LYS 78 HZ2 LYS 78 -16.695 -21.690 7.048 581 HZ3 LYS 78 HZ3 LYS 78 -17.874 -20.815 7.903 582 HA PRO 79 HA PRO 79 -10.203 -21.683 13.527 583 HB2 PRO 79 HB2 PRO 79 -10.788 -24.423 12.964 584 HB3 PRO 79 HB1 PRO 79 -10.744 -23.656 14.555 585 HG2 PRO 79 HG2 PRO 79 -13.088 -24.483 12.979 586 HG3 PRO 79 HG1 PRO 79 -13.008 -24.026 14.687 587 HD2 PRO 79 HD2 PRO 79 -14.103 -22.450 12.593 588 HD3 PRO 79 HD1 PRO 79 -13.720 -21.897 14.236 589 H PHE 80 HN PHE 80 -8.478 -21.856 12.102 590 HA PHE 80 HA PHE 80 -8.827 -23.170 9.483 591 HB2 PHE 80 HB2 PHE 80 -7.957 -21.217 8.219 592 HB3 PHE 80 HB1 PHE 80 -9.529 -20.885 8.956 593 HD1 PHE 80 HD1 PHE 80 -5.836 -20.420 9.438 594 HD2 PHE 80 HD2 PHE 80 -9.781 -19.090 10.466 595 HE1 PHE 80 HE1 PHE 80 -4.877 -18.487 10.657 596 HE2 PHE 80 HE2 PHE 80 -8.822 -17.162 11.689 597 HZ PHE 80 HZ PHE 80 -6.363 -16.861 11.781 598 H ALA 81 HN ALA 81 -6.803 -23.669 8.485 599 HA ALA 81 HA ALA 81 -4.521 -23.641 10.397 600 HB1 ALA 81 HB1 ALA 81 -5.334 -25.743 9.090 601 HB2 ALA 81 HB2 ALA 81 -3.603 -25.413 9.143 602 HB3 ALA 81 HB3 ALA 81 -4.534 -25.004 7.702 603 H ALA 82 HN ALA 82 -3.196 -21.920 10.191 604 HA ALA 82 HA ALA 82 -3.168 -20.312 7.755 605 HB1 ALA 82 HB1 ALA 82 -1.937 -18.749 8.991 606 HB2 ALA 82 HB2 ALA 82 -1.181 -19.985 9.999 607 HB3 ALA 82 HB3 ALA 82 -2.868 -19.555 10.251 608 H LYS 83 HN LYS 83 -2.138 -21.236 6.040 609 HA LYS 83 HA LYS 83 0.408 -22.698 6.448 610 HB2 LYS 83 HB2 LYS 83 -1.131 -23.754 4.922 611 HB3 LYS 83 HB1 LYS 83 -1.347 -22.264 4.019 612 HG2 LYS 83 HG2 LYS 83 0.809 -22.356 3.082 613 HG3 LYS 83 HG1 LYS 83 1.383 -23.502 4.296 614 HD2 LYS 83 HD2 LYS 83 0.086 -25.284 3.358 615 HD3 LYS 83 HD1 LYS 83 -0.806 -24.172 2.318 616 HE2 LYS 83 HE2 LYS 83 0.967 -25.411 1.078 617 HE3 LYS 83 HE1 LYS 83 1.223 -23.666 1.055 618 HZ1 LYS 83 HZ1 LYS 83 2.427 -25.029 3.297 619 HZ2 LYS 83 HZ2 LYS 83 3.074 -23.839 2.272 620 HZ3 LYS 83 HZ3 LYS 83 3.071 -25.469 1.791 621 H GLU 84 HN GLU 84 2.277 -22.055 5.080 622 HA GLU 84 HA GLU 84 3.298 -19.589 5.533 623 HB2 GLU 84 HB2 GLU 84 3.616 -21.323 3.084 624 HB3 GLU 84 HB1 GLU 84 4.553 -19.846 3.299 625 HG2 GLU 84 HG2 GLU 84 5.824 -21.760 4.146 626 HG3 GLU 84 HG1 GLU 84 5.366 -20.709 5.486 627 H ASP 85 HN ASP 85 1.582 -20.232 2.417 628 HA ASP 85 HA ASP 85 0.936 -17.294 2.330 629 HB2 ASP 85 HB2 ASP 85 1.932 -19.208 0.233 630 HB3 ASP 85 HB1 ASP 85 0.928 -17.849 -0.255 631 H GLN 86 HN GLN 86 -0.453 -20.266 2.787 632 HA GLN 86 HA GLN 86 -3.005 -19.398 1.444 633 HB2 GLN 86 HB2 GLN 86 -2.153 -22.267 1.846 634 HB3 GLN 86 HB1 GLN 86 -3.485 -21.658 0.869 635 HG2 GLN 86 HG2 GLN 86 -0.588 -20.974 0.311 636 HG3 GLN 86 HG1 GLN 86 -1.424 -22.333 -0.421 637 HE21 GLN 86 HE21 GLN 86 -0.417 -19.963 -1.864 638 HE22 GLN 86 HE22 GLN 86 -1.770 -19.217 -2.568 639 H LEU 87 HN LEU 87 -4.913 -20.575 2.356 640 HA LEU 87 HA LEU 87 -4.696 -21.093 5.282 641 HB2 LEU 87 HB2 LEU 87 -6.635 -19.290 3.809 642 HB3 LEU 87 HB1 LEU 87 -7.100 -20.051 5.329 643 HG LEU 87 HG LEU 87 -4.468 -18.600 5.185 644 HD11 LEU 87 HD11 LEU 87 -5.861 -16.581 6.105 645 HD12 LEU 87 HD12 LEU 87 -7.199 -17.344 5.245 646 HD13 LEU 87 HD13 LEU 87 -5.761 -16.837 4.364 647 HD21 LEU 87 HD21 LEU 87 -4.666 -18.484 7.504 648 HD22 LEU 87 HD22 LEU 87 -5.432 -20.031 7.163 649 HD23 LEU 87 HD23 LEU 87 -6.420 -18.609 7.467 650 H LEU 88 HN LEU 88 -5.756 -22.952 5.850 651 HA LEU 88 HA LEU 88 -7.589 -24.215 3.834 652 HB2 LEU 88 HB2 LEU 88 -5.249 -25.437 5.324 653 HB3 LEU 88 HB1 LEU 88 -6.474 -26.399 4.505 654 HG LEU 88 HG LEU 88 -5.114 -24.200 2.960 655 HD11 LEU 88 HD11 LEU 88 -3.388 -25.898 2.248 656 HD12 LEU 88 HD12 LEU 88 -3.899 -26.888 3.615 657 HD13 LEU 88 HD13 LEU 88 -3.198 -25.294 3.894 658 HD21 LEU 88 HD21 LEU 88 -6.962 -25.424 1.925 659 HD22 LEU 88 HD22 LEU 88 -6.152 -26.957 2.252 660 HD23 LEU 88 HD23 LEU 88 -5.448 -25.814 1.109 661 H CYS 89 HN CYS 89 -8.879 -26.023 4.894 662 HA CYS 89 HA CYS 89 -9.873 -25.066 7.499 663 HB2 CYS 89 HB2 CYS 89 -10.797 -27.539 6.014 664 HB3 CYS 89 HB1 CYS 89 -11.692 -26.575 7.184 665 H THR 90 HN THR 90 -9.494 -26.153 9.442 666 HA THR 90 HA THR 90 -7.218 -27.728 9.798 667 HB THR 90 HB THR 90 -8.110 -27.071 11.841 668 HG1 THR 90 HG1 THR 90 -9.517 -29.471 11.863 669 HG21 THR 90 HG21 THR 90 -10.593 -27.424 12.360 670 HG22 THR 90 HG22 THR 90 -10.785 -27.809 10.649 671 HG23 THR 90 HG23 THR 90 -10.212 -26.213 11.135 672 H ASP 91 HN ASP 91 -10.129 -28.596 8.277 673 HA ASP 91 HA ASP 91 -9.808 -31.500 8.656 674 HB2 ASP 91 HB2 ASP 91 -11.663 -29.806 6.979 675 HB3 ASP 91 HB1 ASP 91 -11.652 -31.565 6.891 676 H CYS 92 HN CYS 92 -9.462 -29.124 6.013 677 HA CYS 92 HA CYS 92 -8.332 -31.079 4.177 678 HB2 CYS 92 HB2 CYS 92 -7.929 -28.100 3.911 679 HB3 CYS 92 HB1 CYS 92 -8.153 -29.303 2.643 680 H TYR 93 HN TYR 93 -7.050 -28.574 6.337 681 HA TYR 93 HA TYR 93 -4.325 -28.724 5.569 682 HB2 TYR 93 HB2 TYR 93 -5.411 -27.075 7.166 683 HB3 TYR 93 HB1 TYR 93 -5.328 -28.332 8.393 684 HD1 TYR 93 HD2 TYR 93 -3.176 -26.511 5.914 685 HD2 TYR 93 HD1 TYR 93 -3.373 -28.622 9.650 686 HE1 TYR 93 HE2 TYR 93 -0.798 -25.960 6.355 687 HE2 TYR 93 HE1 TYR 93 -0.998 -28.079 10.086 688 HH TYR 93 HH TYR 93 0.787 -26.948 9.390 689 H SER 94 HN SER 94 -6.078 -30.505 8.091 690 HA SER 94 HA SER 94 -3.853 -32.105 8.915 691 HB2 SER 94 HB2 SER 94 -5.981 -31.841 10.213 692 HB3 SER 94 HB1 SER 94 -6.797 -32.838 9.012 693 HG SER 94 HG SER 94 -5.630 -34.563 9.640 694 H ASN 95 HN ASN 95 -5.857 -32.211 6.116 695 HA ASN 95 HA ASN 95 -5.519 -35.037 5.537 696 HB2 ASN 95 HB2 ASN 95 -7.322 -33.469 4.599 697 HB3 ASN 95 HB1 ASN 95 -6.073 -32.862 3.511 698 HD21 ASN 95 HD21 ASN 95 -6.681 -33.804 1.523 699 HD22 ASN 95 HD22 ASN 95 -6.874 -35.473 1.285 700 H GLU 96 HN GLU 96 -3.754 -32.078 4.750 701 HA GLU 96 HA GLU 96 -1.773 -33.685 3.176 702 HB2 GLU 96 HB2 GLU 96 -0.930 -31.281 2.616 703 HB3 GLU 96 HB1 GLU 96 -2.425 -31.841 1.868 704 HG2 GLU 96 HG2 GLU 96 -3.776 -30.614 3.400 705 HG3 GLU 96 HG1 GLU 96 -2.407 -30.301 4.468 706 H TYR 97 HN TYR 97 -2.068 -31.419 5.891 707 HA TYR 97 HA TYR 97 0.676 -31.166 6.538 708 HB2 TYR 97 HB2 TYR 97 -1.018 -29.797 7.632 709 HB3 TYR 97 HB1 TYR 97 -1.750 -31.226 8.358 710 HD1 TYR 97 HD2 TYR 97 1.328 -29.136 8.287 711 HD2 TYR 97 HD1 TYR 97 -0.871 -32.192 10.355 712 HE1 TYR 97 HE2 TYR 97 2.889 -28.960 10.207 713 HE2 TYR 97 HE1 TYR 97 0.690 -32.016 12.275 714 HH TYR 97 HH TYR 97 2.432 -29.692 13.019 715 H SER 98 HN SER 98 -1.615 -33.760 7.190 716 HA SER 98 HA SER 98 -0.069 -35.180 9.128 717 HB2 SER 98 HB2 SER 98 -1.436 -37.123 8.511 718 HB3 SER 98 HB1 SER 98 -2.447 -35.685 8.618 719 HG SER 98 HG SER 98 -1.623 -37.159 6.392
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