NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
145051 | 2ked | 16143 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 H LYS 1 -4.710 -26.967 1.378 2 HA LYS 1 HA LYS 1 -6.183 -26.290 -1.053 3 HB2 LYS 1 HB2 LYS 1 -6.979 -24.311 0.257 4 HB3 LYS 1 HB3 LYS 1 -7.589 -25.849 0.838 5 HG2 LYS 1 HG2 LYS 1 -6.060 -25.807 2.705 6 HG3 LYS 1 HG3 LYS 1 -5.277 -24.357 2.079 7 HD2 LYS 1 HD2 LYS 1 -6.824 -23.816 3.902 8 HD3 LYS 1 HD3 LYS 1 -7.357 -23.095 2.388 9 HE2 LYS 1 HE2 LYS 1 -8.969 -24.926 2.101 10 HE3 LYS 1 HE3 LYS 1 -8.430 -25.628 3.631 11 HZ1 LYS 1 HZ1 LYS 1 -10.467 -24.296 3.853 12 HZ2 LYS 1 HZ2 LYS 1 -9.653 -22.950 3.296 13 HZ3 LYS 1 HZ3 LYS 1 -9.207 -23.631 4.765 14 HA PRO 2 HA PRO 2 -2.238 -24.215 -1.715 15 HB2 PRO 2 HB2 PRO 2 -3.145 -23.485 -4.342 16 HB3 PRO 2 HB3 PRO 2 -1.960 -24.711 -3.900 17 HG2 PRO 2 HG2 PRO 2 -4.446 -25.239 -4.992 18 HG3 PRO 2 HG3 PRO 2 -3.479 -26.402 -4.073 19 HD2 PRO 2 HD2 PRO 2 -5.834 -24.792 -3.225 20 HD3 PRO 2 HD3 PRO 2 -5.318 -26.428 -2.750 21 H VAL 3 H VAL 3 -5.374 -23.007 -1.722 22 HA VAL 3 HA VAL 3 -6.355 -21.041 -1.516 23 HB VAL 3 HB VAL 3 -3.613 -19.863 -0.920 24 HG11 VAL 3 HG11 VAL 3 -6.373 -18.789 -0.305 25 HG12 VAL 3 HG12 VAL 3 -5.259 -18.148 -1.509 26 HG13 VAL 3 HG13 VAL 3 -4.849 -18.060 0.205 27 HG21 VAL 3 HG21 VAL 3 -4.234 -20.097 1.431 28 HG22 VAL 3 HG22 VAL 3 -4.170 -21.660 0.615 29 HG23 VAL 3 HG23 VAL 3 -5.730 -20.905 0.954 30 H SER 4 H SER 4 -6.785 -21.408 -3.620 31 HA SER 4 HA SER 4 -6.488 -19.156 -5.235 32 HB2 SER 4 HB2 SER 4 -4.243 -20.071 -5.718 33 HB3 SER 4 HB3 SER 4 -4.959 -21.623 -6.136 34 HG SER 4 HG SER 4 -5.155 -20.867 -8.051 35 H LEU 5 H LEU 5 -8.490 -19.144 -5.896 36 HA LEU 5 HA LEU 5 -9.500 -21.554 -7.192 37 HB2 LEU 5 HB2 LEU 5 -10.612 -20.969 -4.913 38 HB3 LEU 5 HB3 LEU 5 -11.222 -19.540 -5.704 39 HG LEU 5 HG LEU 5 -11.921 -22.396 -6.422 40 HD11 LEU 5 HD11 LEU 5 -14.096 -21.851 -5.508 41 HD12 LEU 5 HD12 LEU 5 -13.489 -20.270 -5.013 42 HD13 LEU 5 HD13 LEU 5 -12.819 -21.741 -4.299 43 HD21 LEU 5 HD21 LEU 5 -12.066 -20.915 -8.378 44 HD22 LEU 5 HD22 LEU 5 -13.101 -19.814 -7.474 45 HD23 LEU 5 HD23 LEU 5 -13.666 -21.438 -7.852 46 H SER 6 H SER 6 -8.479 -20.646 -8.938 47 HA SER 6 HA SER 6 -7.993 -19.247 -10.614 48 HB2 SER 6 HB2 SER 6 -10.940 -18.558 -10.371 49 HB3 SER 6 HB3 SER 6 -9.925 -18.204 -11.772 50 HG SER 6 HG SER 6 -9.496 -20.625 -11.534 51 H TYR 7 H TYR 7 -6.634 -18.042 -9.069 52 HA TYR 7 HA TYR 7 -7.842 -15.929 -7.666 53 HB2 TYR 7 HB2 TYR 7 -5.690 -15.278 -6.791 54 HB3 TYR 7 HB3 TYR 7 -5.832 -17.021 -6.745 55 HD1 TYR 7 HD1 TYR 7 -4.524 -18.372 -8.411 56 HD2 TYR 7 HD2 TYR 7 -4.013 -14.191 -7.945 57 HE1 TYR 7 HE1 TYR 7 -2.377 -18.519 -9.547 58 HE2 TYR 7 HE2 TYR 7 -1.884 -14.294 -9.058 59 HH TYR 7 HH TYR 7 -0.879 -17.032 -10.810 60 H ARG 8 H ARG 8 -8.615 -14.306 -8.349 61 HA ARG 8 HA ARG 8 -7.778 -13.081 -10.852 62 HB2 ARG 8 HB2 ARG 8 -9.837 -11.774 -10.615 63 HB3 ARG 8 HB3 ARG 8 -10.168 -13.493 -10.433 64 HG2 ARG 8 HG2 ARG 8 -10.203 -13.242 -8.010 65 HG3 ARG 8 HG3 ARG 8 -9.836 -11.532 -8.175 66 HD2 ARG 8 HD2 ARG 8 -11.987 -11.251 -9.401 67 HD3 ARG 8 HD3 ARG 8 -12.342 -12.954 -9.078 68 HE ARG 8 HE ARG 8 -11.660 -11.475 -6.737 69 HH11 ARG 8 HH11 ARG 8 -14.354 -12.406 -8.815 70 HH12 ARG 8 HH12 ARG 8 -15.546 -12.125 -7.638 71 HH21 ARG 8 HH21 ARG 8 -13.295 -11.073 -5.125 72 HH22 ARG 8 HH22 ARG 8 -14.939 -11.317 -5.504 73 H CYS 9 H CYS 9 -7.277 -12.724 -7.499 74 HA CYS 9 HA CYS 9 -6.591 -9.961 -7.929 75 HB2 CYS 9 HB2 CYS 9 -7.839 -11.153 -5.474 76 HB3 CYS 9 HB3 CYS 9 -7.235 -9.497 -5.577 77 HA PRO 10 HA PRO 10 -2.473 -10.929 -6.739 78 HB2 PRO 10 HB2 PRO 10 -2.422 -8.112 -5.726 79 HB3 PRO 10 HB3 PRO 10 -1.391 -8.905 -6.936 80 HG2 PRO 10 HG2 PRO 10 -3.248 -7.182 -7.635 81 HG3 PRO 10 HG3 PRO 10 -2.991 -8.655 -8.593 82 HD2 PRO 10 HD2 PRO 10 -5.104 -8.039 -6.567 83 HD3 PRO 10 HD3 PRO 10 -5.227 -8.784 -8.181 84 H CYS 11 H CYS 11 -3.986 -8.800 -4.234 85 HA CYS 11 HA CYS 11 -2.416 -10.303 -2.314 86 HB2 CYS 11 HB2 CYS 11 -3.596 -7.550 -2.134 87 HB3 CYS 11 HB3 CYS 11 -2.813 -8.376 -0.789 88 H ARG 12 H ARG 12 -3.437 -11.941 -1.538 89 HA ARG 12 HA ARG 12 -6.201 -11.668 -0.620 90 HB2 ARG 12 HB2 ARG 12 -5.592 -13.677 -1.939 91 HB3 ARG 12 HB3 ARG 12 -4.348 -14.069 -0.776 92 HG2 ARG 12 HG2 ARG 12 -6.288 -15.525 -0.510 93 HG3 ARG 12 HG3 ARG 12 -6.061 -14.527 0.921 94 HD2 ARG 12 HD2 ARG 12 -8.025 -13.900 -1.290 95 HD3 ARG 12 HD3 ARG 12 -8.441 -14.781 0.179 96 HE ARG 12 HE ARG 12 -7.392 -12.542 1.171 97 HH11 ARG 12 HH11 ARG 12 -9.816 -12.983 -1.392 98 HH12 ARG 12 HH12 ARG 12 -10.654 -11.550 -1.011 99 HH21 ARG 12 HH21 ARG 12 -8.558 -10.559 1.630 100 HH22 ARG 12 HH22 ARG 12 -9.940 -10.167 0.714 101 H PHE 13 H PHE 13 -3.249 -10.959 0.451 102 HA PHE 13 HA PHE 13 -3.908 -11.266 3.261 103 HB2 PHE 13 HB2 PHE 13 -1.568 -11.982 3.709 104 HB3 PHE 13 HB3 PHE 13 -2.453 -13.171 2.763 105 HD1 PHE 13 HD1 PHE 13 -1.912 -13.532 0.406 106 HD2 PHE 13 HD2 PHE 13 0.320 -10.776 2.758 107 HE1 PHE 13 HE1 PHE 13 -0.152 -13.500 -1.308 108 HE2 PHE 13 HE2 PHE 13 2.081 -10.739 1.043 109 HZ PHE 13 HZ PHE 13 1.849 -12.103 -0.991 110 H PHE 14 H PHE 14 -2.997 -9.574 4.486 111 HA PHE 14 HA PHE 14 -1.262 -7.593 3.119 112 HB2 PHE 14 HB2 PHE 14 -3.660 -6.913 4.783 113 HB3 PHE 14 HB3 PHE 14 -2.545 -5.756 4.073 114 HD1 PHE 14 HD1 PHE 14 -5.395 -7.961 3.565 115 HD2 PHE 14 HD2 PHE 14 -2.716 -5.252 1.670 116 HE1 PHE 14 HE1 PHE 14 -6.904 -7.827 1.636 117 HE2 PHE 14 HE2 PHE 14 -4.209 -5.125 -0.254 118 HZ PHE 14 HZ PHE 14 -6.319 -6.414 -0.275 119 H GLU 15 H GLU 15 0.079 -6.581 4.345 120 HA GLU 15 HA GLU 15 0.614 -7.715 6.927 121 HB2 GLU 15 HB2 GLU 15 2.131 -6.042 4.978 122 HB3 GLU 15 HB3 GLU 15 2.628 -6.088 6.661 123 HG2 GLU 15 HG2 GLU 15 3.878 -7.650 5.219 124 HG3 GLU 15 HG3 GLU 15 3.049 -8.403 6.561 125 H SER 16 H SER 16 -0.110 -6.879 8.654 126 HA SER 16 HA SER 16 -0.713 -4.048 8.747 127 HB2 SER 16 HB2 SER 16 -2.000 -4.715 10.821 128 HB3 SER 16 HB3 SER 16 -2.595 -5.466 9.348 129 HG SER 16 HG SER 16 -2.406 -7.200 10.424 130 H HIS 17 H HIS 17 0.113 -2.927 10.710 131 HA HIS 17 HA HIS 17 1.898 -2.229 11.872 132 HB2 HIS 17 HB2 HIS 17 1.273 -4.008 13.466 133 HB3 HIS 17 HB3 HIS 17 2.157 -5.193 12.522 134 HD1 HIS 17 HD1 HIS 17 2.577 -2.615 15.178 135 HD2 HIS 17 HD2 HIS 17 4.998 -5.072 12.854 136 HE1 HIS 17 HE1 HIS 17 4.806 -2.622 16.297 137 HE2 HIS 17 HE2 HIS 17 6.184 -4.276 14.986 138 H VAL 18 H VAL 18 2.863 -1.491 10.026 139 HA VAL 18 HA VAL 18 5.239 -2.981 9.208 140 HB VAL 18 HB VAL 18 3.428 -1.378 7.335 141 HG11 VAL 18 HG11 VAL 18 4.812 -2.259 5.513 142 HG12 VAL 18 HG12 VAL 18 5.858 -3.048 6.694 143 HG13 VAL 18 HG13 VAL 18 5.762 -1.288 6.639 144 HG21 VAL 18 HG21 VAL 18 2.371 -3.488 7.953 145 HG22 VAL 18 HG22 VAL 18 3.811 -4.378 7.470 146 HG23 VAL 18 HG23 VAL 18 2.865 -3.518 6.263 147 H ALA 19 H ALA 19 6.969 -1.323 8.323 148 HA ALA 19 HA ALA 19 6.542 1.165 9.784 149 HB1 ALA 19 HB1 ALA 19 8.943 1.243 10.142 150 HB2 ALA 19 HB2 ALA 19 9.137 -0.261 9.241 151 HB3 ALA 19 HB3 ALA 19 8.262 -0.259 10.772 152 H ARG 20 H ARG 20 6.831 3.017 8.771 153 HA ARG 20 HA ARG 20 6.958 3.320 6.002 154 HB2 ARG 20 HB2 ARG 20 6.180 5.069 7.468 155 HB3 ARG 20 HB3 ARG 20 7.738 5.189 8.251 156 HG2 ARG 20 HG2 ARG 20 7.455 7.082 6.787 157 HG3 ARG 20 HG3 ARG 20 8.713 6.037 6.137 158 HD2 ARG 20 HD2 ARG 20 7.098 5.106 4.546 159 HD3 ARG 20 HD3 ARG 20 5.841 6.154 5.197 160 HE ARG 20 HE ARG 20 8.303 7.256 4.052 161 HH11 ARG 20 HH11 ARG 20 4.760 7.166 4.125 162 HH12 ARG 20 HH12 ARG 20 4.582 8.362 2.910 163 HH21 ARG 20 HH21 ARG 20 8.008 8.919 2.407 164 HH22 ARG 20 HH22 ARG 20 6.427 9.351 1.935 165 H ALA 21 H ALA 21 9.462 3.063 8.419 166 HA ALA 21 HA ALA 21 11.597 3.749 6.649 167 HB1 ALA 21 HB1 ALA 21 11.645 4.398 8.987 168 HB2 ALA 21 HB2 ALA 21 13.049 3.425 8.540 169 HB3 ALA 21 HB3 ALA 21 11.720 2.702 9.451 170 H ASN 22 H ASN 22 10.000 0.613 7.382 171 HA ASN 22 HA ASN 22 12.470 -0.662 6.670 172 HB2 ASN 22 HB2 ASN 22 11.551 -2.713 7.345 173 HB3 ASN 22 HB3 ASN 22 11.040 -1.579 8.571 174 HD21 ASN 22 HD21 ASN 22 10.039 -4.210 7.849 175 HD22 ASN 22 HD22 ASN 22 8.379 -4.039 7.440 176 H VAL 23 H VAL 23 9.700 0.479 5.220 177 HA VAL 23 HA VAL 23 9.811 -1.347 2.970 178 HB VAL 23 HB VAL 23 8.078 1.118 3.380 179 HG11 VAL 23 HG11 VAL 23 6.768 0.276 1.526 180 HG12 VAL 23 HG12 VAL 23 7.963 -1.010 1.274 181 HG13 VAL 23 HG13 VAL 23 8.415 0.675 1.048 182 HG21 VAL 23 HG21 VAL 23 6.277 -0.472 3.795 183 HG22 VAL 23 HG22 VAL 23 7.575 -0.654 4.972 184 HG23 VAL 23 HG23 VAL 23 7.416 -1.809 3.648 185 H LYS 24 H LYS 24 10.879 -0.959 1.149 186 HA LYS 24 HA LYS 24 12.420 1.525 0.863 187 HB2 LYS 24 HB2 LYS 24 13.445 0.460 -1.040 188 HB3 LYS 24 HB3 LYS 24 13.572 -0.576 0.371 189 HG2 LYS 24 HG2 LYS 24 12.010 -2.100 -0.442 190 HG3 LYS 24 HG3 LYS 24 11.346 -0.945 -1.589 191 HD2 LYS 24 HD2 LYS 24 14.074 -2.228 -1.759 192 HD3 LYS 24 HD3 LYS 24 12.621 -2.658 -2.699 193 HE2 LYS 24 HE2 LYS 24 12.562 -0.346 -3.546 194 HE3 LYS 24 HE3 LYS 24 14.050 -0.008 -2.771 195 HZ1 LYS 24 HZ1 LYS 24 14.443 -0.602 -5.069 196 HZ2 LYS 24 HZ2 LYS 24 13.750 -2.118 -4.832 197 HZ3 LYS 24 HZ3 LYS 24 15.183 -1.713 -4.047 198 H HIS 25 H HIS 25 9.726 -0.112 -0.590 199 HA HIS 25 HA HIS 25 9.299 2.143 -2.356 200 HB2 HIS 25 HB2 HIS 25 10.888 0.887 -3.578 201 HB3 HIS 25 HB3 HIS 25 10.068 -0.620 -3.240 202 HD1 HIS 25 HD1 HIS 25 8.591 2.574 -4.802 203 HD2 HIS 25 HD2 HIS 25 9.401 -1.401 -5.585 204 HE1 HIS 25 HE1 HIS 25 7.525 2.151 -7.008 205 HE2 HIS 25 HE2 HIS 25 7.890 -0.318 -7.454 206 H LEU 26 H LEU 26 7.241 2.545 -2.359 207 HA LEU 26 HA LEU 26 5.260 0.458 -1.798 208 HB2 LEU 26 HB2 LEU 26 5.123 3.450 -1.822 209 HB3 LEU 26 HB3 LEU 26 3.731 2.433 -1.527 210 HG LEU 26 HG LEU 26 6.187 2.555 0.248 211 HD11 LEU 26 HD11 LEU 26 4.753 3.774 1.794 212 HD12 LEU 26 HD12 LEU 26 3.445 3.761 0.609 213 HD13 LEU 26 HD13 LEU 26 4.931 4.657 0.280 214 HD21 LEU 26 HD21 LEU 26 5.020 0.440 0.336 215 HD22 LEU 26 HD22 LEU 26 3.492 1.272 0.622 216 HD23 LEU 26 HD23 LEU 26 4.779 1.354 1.825 217 H LYS 27 H LYS 27 3.813 -0.123 -3.339 218 HA LYS 27 HA LYS 27 3.411 1.549 -5.698 219 HB2 LYS 27 HB2 LYS 27 5.238 -0.382 -5.927 220 HB3 LYS 27 HB3 LYS 27 3.877 -1.416 -5.965 221 HG2 LYS 27 HG2 LYS 27 4.308 0.830 -7.933 222 HG3 LYS 27 HG3 LYS 27 4.732 -0.850 -8.212 223 HD2 LYS 27 HD2 LYS 27 1.940 0.212 -7.713 224 HD3 LYS 27 HD3 LYS 27 2.609 -0.223 -9.287 225 HE2 LYS 27 HE2 LYS 27 2.943 -2.532 -8.442 226 HE3 LYS 27 HE3 LYS 27 2.159 -2.046 -6.945 227 HZ1 LYS 27 HZ1 LYS 27 0.630 -3.148 -8.509 228 HZ2 LYS 27 HZ2 LYS 27 0.921 -1.936 -9.622 229 HZ3 LYS 27 HZ3 LYS 27 0.132 -1.531 -8.221 230 H ILE 28 H ILE 28 1.258 1.840 -5.351 231 HA ILE 28 HA ILE 28 -0.202 -0.316 -4.089 232 HB ILE 28 HB ILE 28 -1.289 2.465 -4.715 233 HG12 ILE 28 HG12 ILE 28 -0.116 1.301 -2.198 234 HG13 ILE 28 HG13 ILE 28 0.620 2.573 -3.168 235 HG21 ILE 28 HG21 ILE 28 -3.006 0.706 -4.385 236 HG22 ILE 28 HG22 ILE 28 -2.978 1.856 -3.037 237 HG23 ILE 28 HG23 ILE 28 -2.232 0.274 -2.856 238 HD11 ILE 28 HD11 ILE 28 -0.430 3.400 -1.115 239 HD12 ILE 28 HD12 ILE 28 -1.973 2.765 -1.642 240 HD13 ILE 28 HD13 ILE 28 -1.217 4.089 -2.543 241 H LEU 29 H LEU 29 -1.774 -1.521 -4.937 242 HA LEU 29 HA LEU 29 -2.335 -1.292 -7.802 243 HB2 LEU 29 HB2 LEU 29 -0.852 -3.139 -7.249 244 HB3 LEU 29 HB3 LEU 29 -1.958 -3.674 -6.011 245 HG LEU 29 HG LEU 29 -3.474 -4.566 -7.600 246 HD11 LEU 29 HD11 LEU 29 -3.372 -2.687 -9.248 247 HD12 LEU 29 HD12 LEU 29 -3.150 -4.253 -10.031 248 HD13 LEU 29 HD13 LEU 29 -1.756 -3.218 -9.707 249 HD21 LEU 29 HD21 LEU 29 -0.646 -5.049 -8.483 250 HD22 LEU 29 HD22 LEU 29 -2.028 -6.072 -8.864 251 HD23 LEU 29 HD23 LEU 29 -1.502 -5.886 -7.190 252 H ASN 30 H ASN 30 -4.468 -0.772 -8.134 253 HA ASN 30 HA ASN 30 -6.370 -1.570 -6.044 254 HB2 ASN 30 HB2 ASN 30 -7.944 0.065 -6.886 255 HB3 ASN 30 HB3 ASN 30 -6.384 0.849 -6.725 256 HD21 ASN 30 HD21 ASN 30 -5.272 1.470 -8.629 257 HD22 ASN 30 HD22 ASN 30 -6.084 1.583 -10.137 258 H THR 31 H THR 31 -7.895 -3.078 -6.344 259 HA THR 31 HA THR 31 -8.312 -4.009 -9.079 260 HB THR 31 HB THR 31 -8.284 -5.673 -6.541 261 HG1 THR 31 HG1 THR 31 -6.445 -5.224 -8.622 262 HG21 THR 31 HG21 THR 31 -8.470 -7.603 -8.024 263 HG22 THR 31 HG22 THR 31 -8.523 -6.531 -9.428 264 HG23 THR 31 HG23 THR 31 -9.832 -6.502 -8.259 265 HA PRO 32 HA PRO 32 -12.520 -2.661 -9.040 266 HB2 PRO 32 HB2 PRO 32 -13.126 -5.521 -9.529 267 HB3 PRO 32 HB3 PRO 32 -13.689 -4.077 -10.373 268 HG2 PRO 32 HG2 PRO 32 -11.583 -5.709 -11.192 269 HG3 PRO 32 HG3 PRO 32 -11.901 -4.074 -11.774 270 HD2 PRO 32 HD2 PRO 32 -9.685 -4.970 -10.253 271 HD3 PRO 32 HD3 PRO 32 -10.068 -3.297 -10.679 272 H ASN 33 H ASN 33 -12.463 -5.934 -7.499 273 HA ASN 33 HA ASN 33 -14.263 -4.791 -5.493 274 HB2 ASN 33 HB2 ASN 33 -14.496 -7.560 -6.708 275 HB3 ASN 33 HB3 ASN 33 -15.430 -7.000 -5.328 276 HD21 ASN 33 HD21 ASN 33 -15.024 -6.871 -8.739 277 HD22 ASN 33 HD22 ASN 33 -16.443 -5.967 -9.111 278 H CYS 34 H CYS 34 -11.362 -6.226 -6.017 279 HA CYS 34 HA CYS 34 -11.240 -7.322 -3.330 280 HB2 CYS 34 HB2 CYS 34 -9.187 -7.249 -5.531 281 HB3 CYS 34 HB3 CYS 34 -8.890 -7.950 -3.944 282 H ALA 35 H ALA 35 -11.157 -4.447 -4.663 283 HA ALA 35 HA ALA 35 -10.889 -2.426 -3.805 284 HB1 ALA 35 HB1 ALA 35 -9.927 -3.830 -1.371 285 HB2 ALA 35 HB2 ALA 35 -11.615 -3.536 -1.793 286 HB3 ALA 35 HB3 ALA 35 -10.536 -2.158 -1.440 287 H LEU 36 H LEU 36 -8.964 -1.262 -2.129 288 HA LEU 36 HA LEU 36 -6.884 -0.978 -3.921 289 HB2 LEU 36 HB2 LEU 36 -8.114 0.798 -2.762 290 HB3 LEU 36 HB3 LEU 36 -7.591 0.140 -1.227 291 HG LEU 36 HG LEU 36 -5.396 0.468 -1.858 292 HD11 LEU 36 HD11 LEU 36 -6.622 1.960 -4.211 293 HD12 LEU 36 HD12 LEU 36 -5.527 0.583 -4.310 294 HD13 LEU 36 HD13 LEU 36 -4.930 2.153 -3.774 295 HD21 LEU 36 HD21 LEU 36 -5.359 2.962 -1.518 296 HD22 LEU 36 HD22 LEU 36 -6.426 2.077 -0.427 297 HD23 LEU 36 HD23 LEU 36 -7.103 2.947 -1.802 298 H GLN 37 H GLN 37 -5.053 -2.152 -3.779 299 HA GLN 37 HA GLN 37 -4.329 -3.474 -1.265 300 HB2 GLN 37 HB2 GLN 37 -4.091 -4.358 -4.134 301 HB3 GLN 37 HB3 GLN 37 -3.336 -5.191 -2.783 302 HG2 GLN 37 HG2 GLN 37 -5.296 -5.973 -1.983 303 HG3 GLN 37 HG3 GLN 37 -6.267 -4.687 -2.715 304 HE21 GLN 37 HE21 GLN 37 -6.837 -4.856 -4.765 305 HE22 GLN 37 HE22 GLN 37 -6.748 -6.289 -5.713 306 H ILE 38 H ILE 38 -2.310 -2.913 -0.593 307 HA ILE 38 HA ILE 38 -0.749 -1.248 -2.411 308 HB ILE 38 HB ILE 38 -0.554 -1.749 0.524 309 HG12 ILE 38 HG12 ILE 38 -1.553 0.707 -0.911 310 HG13 ILE 38 HG13 ILE 38 -2.566 -0.523 -0.168 311 HG21 ILE 38 HG21 ILE 38 1.638 -1.182 -0.302 312 HG22 ILE 38 HG22 ILE 38 1.015 0.238 0.543 313 HG23 ILE 38 HG23 ILE 38 1.016 0.180 -1.215 314 HD11 ILE 38 HD11 ILE 38 -1.680 0.004 1.992 315 HD12 ILE 38 HD12 ILE 38 -2.324 1.447 1.190 316 HD13 ILE 38 HD13 ILE 38 -0.574 1.194 1.246 317 H VAL 39 H VAL 39 1.223 -1.982 -3.168 318 HA VAL 39 HA VAL 39 2.218 -4.486 -2.030 319 HB VAL 39 HB VAL 39 2.674 -3.289 -4.793 320 HG11 VAL 39 HG11 VAL 39 4.585 -4.519 -4.070 321 HG12 VAL 39 HG12 VAL 39 3.754 -5.414 -5.343 322 HG13 VAL 39 HG13 VAL 39 3.593 -5.919 -3.656 323 HG21 VAL 39 HG21 VAL 39 1.356 -5.178 -5.659 324 HG22 VAL 39 HG22 VAL 39 0.402 -4.140 -4.598 325 HG23 VAL 39 HG23 VAL 39 1.012 -5.682 -4.004 326 H ALA 40 H ALA 40 4.135 -4.343 -1.064 327 HA ALA 40 HA ALA 40 5.850 -2.066 -1.707 328 HB1 ALA 40 HB1 ALA 40 6.113 -1.506 0.623 329 HB2 ALA 40 HB2 ALA 40 5.008 -2.802 1.062 330 HB3 ALA 40 HB3 ALA 40 4.410 -1.421 0.152 331 H ARG 41 H ARG 41 7.994 -2.620 -1.593 332 HA ARG 41 HA ARG 41 8.535 -5.149 -0.338 333 HB2 ARG 41 HB2 ARG 41 9.513 -3.908 -2.716 334 HB3 ARG 41 HB3 ARG 41 10.841 -4.498 -1.735 335 HG2 ARG 41 HG2 ARG 41 9.824 -6.654 -1.615 336 HG3 ARG 41 HG3 ARG 41 8.414 -6.159 -2.499 337 HD2 ARG 41 HD2 ARG 41 11.238 -6.388 -3.405 338 HD3 ARG 41 HD3 ARG 41 9.770 -7.347 -3.836 339 HE ARG 41 HE ARG 41 9.170 -4.798 -4.570 340 HH11 ARG 41 HH11 ARG 41 11.798 -6.985 -5.540 341 HH12 ARG 41 HH12 ARG 41 11.848 -6.407 -7.134 342 HH21 ARG 41 HH21 ARG 41 9.290 -4.015 -6.771 343 HH22 ARG 41 HH22 ARG 41 10.426 -4.686 -7.845 344 H LEU 42 H LEU 42 10.048 -5.447 1.065 345 HA LEU 42 HA LEU 42 10.645 -3.142 2.716 346 HB2 LEU 42 HB2 LEU 42 11.621 -5.938 3.272 347 HB3 LEU 42 HB3 LEU 42 11.351 -4.617 4.333 348 HG LEU 42 HG LEU 42 9.058 -6.018 2.972 349 HD11 LEU 42 HD11 LEU 42 10.039 -6.249 5.799 350 HD12 LEU 42 HD12 LEU 42 10.056 -7.511 4.559 351 HD13 LEU 42 HD13 LEU 42 8.530 -6.906 5.174 352 HD21 LEU 42 HD21 LEU 42 9.117 -3.905 5.125 353 HD22 LEU 42 HD22 LEU 42 7.675 -4.733 4.535 354 HD23 LEU 42 HD23 LEU 42 8.591 -3.684 3.455 355 H LYS 43 H LYS 43 12.749 -2.707 3.485 356 HA LYS 43 HA LYS 43 14.647 -2.502 1.384 357 HB2 LYS 43 HB2 LYS 43 14.855 -1.859 4.327 358 HB3 LYS 43 HB3 LYS 43 16.036 -1.411 3.107 359 HG2 LYS 43 HG2 LYS 43 14.487 0.040 2.026 360 HG3 LYS 43 HG3 LYS 43 13.157 -0.538 3.031 361 HD2 LYS 43 HD2 LYS 43 13.955 1.654 3.753 362 HD3 LYS 43 HD3 LYS 43 14.233 0.438 4.993 363 HE2 LYS 43 HE2 LYS 43 16.573 0.279 4.291 364 HE3 LYS 43 HE3 LYS 43 16.276 1.493 3.048 365 HZ1 LYS 43 HZ1 LYS 43 15.710 3.071 4.806 366 HZ2 LYS 43 HZ2 LYS 43 17.268 2.470 5.042 367 HZ3 LYS 43 HZ3 LYS 43 16.001 1.892 5.975 368 H ASN 44 H ASN 44 15.046 -3.862 4.601 369 HA ASN 44 HA ASN 44 17.481 -5.208 3.739 370 HB2 ASN 44 HB2 ASN 44 17.433 -4.009 5.899 371 HB3 ASN 44 HB3 ASN 44 16.189 -5.102 6.474 372 HD21 ASN 44 HD21 ASN 44 19.025 -6.162 4.595 373 HD22 ASN 44 HD22 ASN 44 19.747 -7.000 5.905 374 H ASN 45 H ASN 45 14.274 -6.036 4.800 375 HA ASN 45 HA ASN 45 14.813 -8.863 4.823 376 HB2 ASN 45 HB2 ASN 45 13.161 -7.796 6.361 377 HB3 ASN 45 HB3 ASN 45 12.151 -7.416 4.980 378 HD21 ASN 45 HD21 ASN 45 10.475 -8.588 5.978 379 HD22 ASN 45 HD22 ASN 45 10.407 -10.296 5.978 380 H ASN 46 H ASN 46 13.660 -6.508 2.565 381 HA ASN 46 HA ASN 46 13.275 -6.538 0.275 382 HB2 ASN 46 HB2 ASN 46 15.560 -7.632 0.398 383 HB3 ASN 46 HB3 ASN 46 14.743 -9.187 0.360 384 HD21 ASN 46 HD21 ASN 46 15.649 -9.800 -1.558 385 HD22 ASN 46 HD22 ASN 46 15.272 -9.095 -3.086 386 H ARG 47 H ARG 47 11.403 -8.117 2.164 387 HA ARG 47 HA ARG 47 10.287 -9.898 0.206 388 HB2 ARG 47 HB2 ARG 47 9.457 -9.248 3.008 389 HB3 ARG 47 HB3 ARG 47 8.605 -10.357 1.957 390 HG2 ARG 47 HG2 ARG 47 10.679 -11.709 1.822 391 HG3 ARG 47 HG3 ARG 47 11.385 -10.642 3.045 392 HD2 ARG 47 HD2 ARG 47 10.480 -12.574 4.143 393 HD3 ARG 47 HD3 ARG 47 9.513 -11.149 4.511 394 HE ARG 47 HE ARG 47 8.379 -12.366 2.293 395 HH11 ARG 47 HH11 ARG 47 8.768 -13.089 5.734 396 HH12 ARG 47 HH12 ARG 47 7.349 -14.023 5.837 397 HH21 ARG 47 HH21 ARG 47 6.415 -13.649 2.452 398 HH22 ARG 47 HH22 ARG 47 5.989 -14.323 3.951 399 H GLN 48 H GLN 48 8.414 -9.807 -0.655 400 HA GLN 48 HA GLN 48 7.432 -7.132 -1.118 401 HB2 GLN 48 HB2 GLN 48 7.947 -8.851 -2.932 402 HB3 GLN 48 HB3 GLN 48 6.586 -9.773 -2.322 403 HG2 GLN 48 HG2 GLN 48 5.206 -7.688 -2.739 404 HG3 GLN 48 HG3 GLN 48 6.608 -7.086 -3.568 405 HE21 GLN 48 HE21 GLN 48 5.479 -7.014 -5.526 406 HE22 GLN 48 HE22 GLN 48 5.182 -8.433 -6.460 407 H VAL 49 H VAL 49 5.792 -6.452 0.080 408 HA VAL 49 HA VAL 49 4.059 -8.454 1.308 409 HB VAL 49 HB VAL 49 3.841 -7.056 3.269 410 HG11 VAL 49 HG11 VAL 49 6.096 -7.250 4.235 411 HG12 VAL 49 HG12 VAL 49 6.739 -7.573 2.622 412 HG13 VAL 49 HG13 VAL 49 5.604 -8.698 3.362 413 HG21 VAL 49 HG21 VAL 49 4.141 -4.855 2.288 414 HG22 VAL 49 HG22 VAL 49 5.851 -5.187 1.999 415 HG23 VAL 49 HG23 VAL 49 5.237 -5.066 3.651 416 H CYS 50 H CYS 50 1.941 -7.722 1.763 417 HA CYS 50 HA CYS 50 1.091 -5.634 -0.112 418 HB2 CYS 50 HB2 CYS 50 -0.696 -7.671 1.279 419 HB3 CYS 50 HB3 CYS 50 -1.113 -6.510 0.074 420 H ILE 51 H ILE 51 0.428 -3.822 0.742 421 HA ILE 51 HA ILE 51 0.271 -3.872 3.635 422 HB ILE 51 HB ILE 51 0.880 -1.469 1.890 423 HG12 ILE 51 HG12 ILE 51 2.481 -3.414 3.462 424 HG13 ILE 51 HG13 ILE 51 2.656 -2.947 1.812 425 HG21 ILE 51 HG21 ILE 51 -0.284 -0.854 3.973 426 HG22 ILE 51 HG22 ILE 51 1.410 -0.351 3.997 427 HG23 ILE 51 HG23 ILE 51 0.903 -1.791 4.884 428 HD11 ILE 51 HD11 ILE 51 3.441 -0.718 2.377 429 HD12 ILE 51 HD12 ILE 51 4.468 -1.940 3.127 430 HD13 ILE 51 HD13 ILE 51 3.272 -1.074 4.095 431 H ASP 52 H ASP 52 -1.292 -3.036 4.734 432 HA ASP 52 HA ASP 52 -3.821 -2.991 3.422 433 HB2 ASP 52 HB2 ASP 52 -3.316 -4.077 5.499 434 HB3 ASP 52 HB3 ASP 52 -3.095 -2.530 6.297 435 HA PRO 53 HA PRO 53 -3.599 1.419 2.881 436 HB2 PRO 53 HB2 PRO 53 -6.112 1.801 1.989 437 HB3 PRO 53 HB3 PRO 53 -4.860 1.032 1.007 438 HG2 PRO 53 HG2 PRO 53 -7.006 -0.257 2.660 439 HG3 PRO 53 HG3 PRO 53 -6.521 -0.624 0.985 440 HD2 PRO 53 HD2 PRO 53 -5.713 -2.086 3.070 441 HD3 PRO 53 HD3 PRO 53 -4.661 -1.788 1.668 442 H LYS 54 H LYS 54 -4.939 0.048 5.519 443 HA LYS 54 HA LYS 54 -6.236 2.564 6.343 444 HB2 LYS 54 HB2 LYS 54 -6.628 -0.172 7.535 445 HB3 LYS 54 HB3 LYS 54 -7.513 1.298 7.958 446 HG2 LYS 54 HG2 LYS 54 -8.228 1.481 5.645 447 HG3 LYS 54 HG3 LYS 54 -7.377 -0.045 5.371 448 HD2 LYS 54 HD2 LYS 54 -9.706 0.294 7.297 449 HD3 LYS 54 HD3 LYS 54 -9.899 -0.324 5.662 450 HE2 LYS 54 HE2 LYS 54 -8.276 -1.584 7.882 451 HE3 LYS 54 HE3 LYS 54 -9.833 -2.128 7.268 452 HZ1 LYS 54 HZ1 LYS 54 -8.103 -3.460 6.287 453 HZ2 LYS 54 HZ2 LYS 54 -7.253 -2.094 5.821 454 HZ3 LYS 54 HZ3 LYS 54 -8.707 -2.468 5.071 455 H LEU 55 H LEU 55 -3.494 1.024 6.562 456 HA LEU 55 HA LEU 55 -2.736 1.341 9.287 457 HB2 LEU 55 HB2 LEU 55 -1.171 1.369 6.767 458 HB3 LEU 55 HB3 LEU 55 -0.365 1.576 8.281 459 HG LEU 55 HG LEU 55 -1.850 -0.871 7.289 460 HD11 LEU 55 HD11 LEU 55 1.033 -0.385 8.003 461 HD12 LEU 55 HD12 LEU 55 0.375 -0.500 6.373 462 HD13 LEU 55 HD13 LEU 55 0.351 -1.915 7.435 463 HD21 LEU 55 HD21 LEU 55 -2.243 -0.643 9.703 464 HD22 LEU 55 HD22 LEU 55 -0.505 -0.419 9.939 465 HD23 LEU 55 HD23 LEU 55 -1.105 -1.958 9.358 466 H LYS 56 H LYS 56 -1.808 3.022 10.380 467 HA LYS 56 HA LYS 56 -2.776 5.580 9.767 468 HB2 LYS 56 HB2 LYS 56 -2.364 4.906 12.054 469 HB3 LYS 56 HB3 LYS 56 -0.636 4.819 11.741 470 HG2 LYS 56 HG2 LYS 56 -0.634 7.243 11.255 471 HG3 LYS 56 HG3 LYS 56 -2.347 7.301 11.675 472 HD2 LYS 56 HD2 LYS 56 -1.809 6.517 13.925 473 HD3 LYS 56 HD3 LYS 56 -0.102 6.450 13.482 474 HE2 LYS 56 HE2 LYS 56 -0.123 8.854 13.060 475 HE3 LYS 56 HE3 LYS 56 -1.822 8.917 13.516 476 HZ1 LYS 56 HZ1 LYS 56 0.430 8.135 15.293 477 HZ2 LYS 56 HZ2 LYS 56 -1.198 8.121 15.724 478 HZ3 LYS 56 HZ3 LYS 56 -0.433 9.573 15.361 479 H TRP 57 H TRP 57 0.584 4.376 9.569 480 HA TRP 57 HA TRP 57 1.509 6.894 8.629 481 HB2 TRP 57 HB2 TRP 57 3.649 5.812 8.099 482 HB3 TRP 57 HB3 TRP 57 3.083 5.296 9.679 483 HD1 TRP 57 HD1 TRP 57 2.371 2.711 9.905 484 HE1 TRP 57 HE1 TRP 57 2.947 0.689 8.513 485 HE3 TRP 57 HE3 TRP 57 4.065 5.087 5.734 486 HZ2 TRP 57 HZ2 TRP 57 3.984 0.121 5.952 487 HZ3 TRP 57 HZ3 TRP 57 4.840 3.739 3.846 488 HH2 TRP 57 HH2 TRP 57 4.794 1.297 3.939 489 H ILE 58 H ILE 58 0.119 4.182 7.118 490 HA ILE 58 HA ILE 58 0.666 4.925 4.396 491 HB ILE 58 HB ILE 58 -1.461 3.141 5.633 492 HG12 ILE 58 HG12 ILE 58 0.795 2.228 5.768 493 HG13 ILE 58 HG13 ILE 58 -0.175 1.305 4.649 494 HG21 ILE 58 HG21 ILE 58 -1.940 2.353 3.420 495 HG22 ILE 58 HG22 ILE 58 -0.826 3.555 2.744 496 HG23 ILE 58 HG23 ILE 58 -2.308 4.086 3.558 497 HD11 ILE 58 HD11 ILE 58 2.029 1.633 3.733 498 HD12 ILE 58 HD12 ILE 58 1.848 3.379 3.852 499 HD13 ILE 58 HD13 ILE 58 0.823 2.468 2.752 500 H GLN 59 H GLN 59 -1.830 5.734 6.728 501 HA GLN 59 HA GLN 59 -3.537 7.069 4.951 502 HB2 GLN 59 HB2 GLN 59 -2.978 7.894 7.815 503 HB3 GLN 59 HB3 GLN 59 -4.384 8.334 6.864 504 HG2 GLN 59 HG2 GLN 59 -3.661 5.619 7.926 505 HG3 GLN 59 HG3 GLN 59 -5.019 6.637 8.407 506 HE21 GLN 59 HE21 GLN 59 -3.743 4.499 6.107 507 HE22 GLN 59 HE22 GLN 59 -5.177 4.214 5.186 508 H GLU 60 H GLU 60 -0.836 8.197 6.895 509 HA GLU 60 HA GLU 60 -0.701 10.856 6.108 510 HB2 GLU 60 HB2 GLU 60 1.594 8.987 6.717 511 HB3 GLU 60 HB3 GLU 60 1.673 10.741 6.739 512 HG2 GLU 60 HG2 GLU 60 0.092 10.796 8.591 513 HG3 GLU 60 HG3 GLU 60 -0.015 9.036 8.559 514 H TYR 61 H TYR 61 0.703 7.987 4.648 515 HA TYR 61 HA TYR 61 2.165 9.143 2.589 516 HB2 TYR 61 HB2 TYR 61 2.517 6.836 3.076 517 HB3 TYR 61 HB3 TYR 61 0.843 6.425 2.807 518 HD1 TYR 61 HD1 TYR 61 3.866 7.709 1.042 519 HD2 TYR 61 HD2 TYR 61 0.183 5.610 0.752 520 HE1 TYR 61 HE1 TYR 61 4.386 7.124 -1.284 521 HE2 TYR 61 HE2 TYR 61 0.678 5.022 -1.549 522 HH TYR 61 HH TYR 61 3.781 5.436 -2.889 523 H LEU 62 H LEU 62 -1.187 7.873 2.424 524 HA LEU 62 HA LEU 62 -1.392 8.877 -0.224 525 HB2 LEU 62 HB2 LEU 62 -3.654 7.875 1.497 526 HB3 LEU 62 HB3 LEU 62 -3.805 8.327 -0.185 527 HG LEU 62 HG LEU 62 -1.850 6.426 -0.359 528 HD11 LEU 62 HD11 LEU 62 -2.335 4.587 0.991 529 HD12 LEU 62 HD12 LEU 62 -3.472 5.558 1.924 530 HD13 LEU 62 HD13 LEU 62 -1.757 5.978 1.906 531 HD21 LEU 62 HD21 LEU 62 -3.921 6.482 -1.688 532 HD22 LEU 62 HD22 LEU 62 -4.817 5.891 -0.289 533 HD23 LEU 62 HD23 LEU 62 -3.598 4.871 -1.047 534 H GLU 63 H GLU 63 -2.231 10.177 2.887 535 HA GLU 63 HA GLU 63 -3.819 12.337 2.042 536 HB2 GLU 63 HB2 GLU 63 -1.702 12.313 4.207 537 HB3 GLU 63 HB3 GLU 63 -2.828 13.632 3.950 538 HG2 GLU 63 HG2 GLU 63 -3.542 10.815 4.713 539 HG3 GLU 63 HG3 GLU 63 -3.509 12.197 5.799 540 H LYS 64 H LYS 64 -0.338 12.066 2.313 541 HA LYS 64 HA LYS 64 0.417 14.549 1.343 542 HB2 LYS 64 HB2 LYS 64 1.979 13.119 2.443 543 HB3 LYS 64 HB3 LYS 64 1.756 11.868 1.241 544 HG2 LYS 64 HG2 LYS 64 3.789 12.842 0.741 545 HG3 LYS 64 HG3 LYS 64 2.664 13.359 -0.447 546 HD2 LYS 64 HD2 LYS 64 4.033 15.297 0.233 547 HD3 LYS 64 HD3 LYS 64 2.324 15.544 0.572 548 HE2 LYS 64 HE2 LYS 64 2.744 14.960 2.941 549 HE3 LYS 64 HE3 LYS 64 4.455 14.743 2.560 550 HZ1 LYS 64 HZ1 LYS 64 4.049 16.903 3.525 551 HZ2 LYS 64 HZ2 LYS 64 2.920 17.278 2.338 552 HZ3 LYS 64 HZ3 LYS 64 4.536 17.096 1.933 553 H ALA 65 H ALA 65 0.749 11.540 -0.406 554 HA ALA 65 HA ALA 65 1.237 12.605 -2.914 555 HB1 ALA 65 HB1 ALA 65 0.846 10.447 -3.838 556 HB2 ALA 65 HB2 ALA 65 -0.053 9.951 -2.404 557 HB3 ALA 65 HB3 ALA 65 1.684 10.286 -2.291 558 H LEU 66 H LEU 66 -2.064 11.958 -1.551 559 HA LEU 66 HA LEU 66 -3.146 12.367 -4.106 560 HB2 LEU 66 HB2 LEU 66 -4.081 10.690 -2.699 561 HB3 LEU 66 HB3 LEU 66 -4.284 11.822 -1.383 562 HG LEU 66 HG LEU 66 -5.827 13.012 -2.627 563 HD11 LEU 66 HD11 LEU 66 -5.222 12.430 -4.947 564 HD12 LEU 66 HD12 LEU 66 -6.901 11.943 -4.705 565 HD13 LEU 66 HD13 LEU 66 -5.618 10.736 -4.654 566 HD21 LEU 66 HD21 LEU 66 -7.722 11.362 -2.474 567 HD22 LEU 66 HD22 LEU 66 -6.650 11.407 -1.075 568 HD23 LEU 66 HD23 LEU 66 -6.505 10.104 -2.253 569 H ASN 67 H ASN 67 -2.548 14.261 -1.171 570 HA ASN 67 HA ASN 67 -4.283 16.415 -2.046 571 HB2 ASN 67 HB2 ASN 67 -3.928 16.041 0.381 572 HB3 ASN 67 HB3 ASN 67 -2.217 16.362 0.185 573 HD21 ASN 67 HD21 ASN 67 -1.526 18.473 0.030 574 HD22 ASN 67 HD22 ASN 67 -2.560 19.826 0.305 575 H LYS 68 H LYS 68 -1.125 15.400 -2.586 576 HA LYS 68 HA LYS 68 0.372 17.627 -3.192 577 HB2 LYS 68 HB2 LYS 68 1.205 15.329 -3.129 578 HB3 LYS 68 HB3 LYS 68 0.302 14.953 -4.575 579 HG2 LYS 68 HG2 LYS 68 1.662 16.569 -5.831 580 HG3 LYS 68 HG3 LYS 68 2.579 16.900 -4.359 581 HD2 LYS 68 HD2 LYS 68 3.228 14.604 -4.205 582 HD3 LYS 68 HD3 LYS 68 2.282 14.212 -5.642 583 HE2 LYS 68 HE2 LYS 68 3.716 15.707 -6.973 584 HE3 LYS 68 HE3 LYS 68 4.680 16.045 -5.531 585 HZ1 LYS 68 HZ1 LYS 68 4.374 13.394 -6.845 586 HZ2 LYS 68 HZ2 LYS 68 5.250 13.680 -5.435 587 HZ3 LYS 68 HZ3 LYS 68 5.744 14.369 -6.883 Start of MODEL 2 1 H LYS 1 H LYS 1 -5.263 -28.252 -1.212 2 HA LYS 1 HA LYS 1 -3.093 -27.411 -3.037 3 HB2 LYS 1 HB2 LYS 1 -3.863 -29.311 -4.469 4 HB3 LYS 1 HB3 LYS 1 -3.377 -29.926 -2.889 5 HG2 LYS 1 HG2 LYS 1 -5.660 -30.114 -2.288 6 HG3 LYS 1 HG3 LYS 1 -6.147 -29.366 -3.811 7 HD2 LYS 1 HD2 LYS 1 -5.050 -31.172 -5.038 8 HD3 LYS 1 HD3 LYS 1 -4.614 -31.939 -3.508 9 HE2 LYS 1 HE2 LYS 1 -6.904 -32.059 -2.912 10 HE3 LYS 1 HE3 LYS 1 -7.341 -31.273 -4.443 11 HZ1 LYS 1 HZ1 LYS 1 -6.404 -33.195 -5.626 12 HZ2 LYS 1 HZ2 LYS 1 -7.650 -33.657 -4.615 13 HZ3 LYS 1 HZ3 LYS 1 -6.059 -33.952 -4.143 14 HA PRO 2 HA PRO 2 -6.320 -25.070 -5.052 15 HB2 PRO 2 HB2 PRO 2 -5.478 -25.996 -7.705 16 HB3 PRO 2 HB3 PRO 2 -5.378 -24.371 -7.025 17 HG2 PRO 2 HG2 PRO 2 -3.189 -25.888 -7.468 18 HG3 PRO 2 HG3 PRO 2 -3.288 -24.734 -6.125 19 HD2 PRO 2 HD2 PRO 2 -3.620 -27.704 -6.109 20 HD3 PRO 2 HD3 PRO 2 -2.789 -26.650 -4.940 21 H VAL 3 H VAL 3 -8.303 -25.908 -4.824 22 HA VAL 3 HA VAL 3 -8.949 -28.482 -5.991 23 HB VAL 3 HB VAL 3 -10.751 -26.582 -4.442 24 HG11 VAL 3 HG11 VAL 3 -11.105 -29.493 -5.147 25 HG12 VAL 3 HG12 VAL 3 -12.021 -28.138 -5.805 26 HG13 VAL 3 HG13 VAL 3 -12.171 -28.561 -4.098 27 HG21 VAL 3 HG21 VAL 3 -8.870 -27.310 -3.069 28 HG22 VAL 3 HG22 VAL 3 -9.206 -28.992 -3.475 29 HG23 VAL 3 HG23 VAL 3 -10.365 -28.067 -2.522 30 H SER 4 H SER 4 -9.719 -25.089 -6.387 31 HA SER 4 HA SER 4 -10.323 -25.547 -9.135 32 HB2 SER 4 HB2 SER 4 -12.558 -24.398 -9.011 33 HB3 SER 4 HB3 SER 4 -12.535 -25.983 -8.244 34 HG SER 4 HG SER 4 -11.870 -24.221 -6.379 35 H LEU 5 H LEU 5 -9.595 -23.858 -10.291 36 HA LEU 5 HA LEU 5 -8.519 -21.627 -8.845 37 HB2 LEU 5 HB2 LEU 5 -8.584 -22.160 -11.821 38 HB3 LEU 5 HB3 LEU 5 -7.724 -20.844 -11.055 39 HG LEU 5 HG LEU 5 -7.113 -23.783 -10.715 40 HD11 LEU 5 HD11 LEU 5 -5.063 -23.253 -11.936 41 HD12 LEU 5 HD12 LEU 5 -5.621 -21.597 -12.158 42 HD13 LEU 5 HD13 LEU 5 -6.497 -22.932 -12.906 43 HD21 LEU 5 HD21 LEU 5 -5.122 -23.009 -9.492 44 HD22 LEU 5 HD22 LEU 5 -6.610 -22.540 -8.670 45 HD23 LEU 5 HD23 LEU 5 -5.704 -21.350 -9.601 46 H SER 6 H SER 6 -10.098 -20.452 -8.023 47 HA SER 6 HA SER 6 -12.176 -19.464 -9.762 48 HB2 SER 6 HB2 SER 6 -13.133 -18.746 -7.529 49 HB3 SER 6 HB3 SER 6 -12.986 -20.490 -7.769 50 HG SER 6 HG SER 6 -12.052 -19.101 -5.811 51 H TYR 7 H TYR 7 -12.811 -17.122 -8.752 52 HA TYR 7 HA TYR 7 -10.674 -15.450 -9.567 53 HB2 TYR 7 HB2 TYR 7 -13.035 -15.047 -10.164 54 HB3 TYR 7 HB3 TYR 7 -13.406 -14.808 -8.461 55 HD1 TYR 7 HD1 TYR 7 -11.230 -13.535 -11.148 56 HD2 TYR 7 HD2 TYR 7 -13.352 -12.679 -7.595 57 HE1 TYR 7 HE1 TYR 7 -10.676 -11.147 -11.414 58 HE2 TYR 7 HE2 TYR 7 -12.816 -10.281 -7.835 59 HH TYR 7 HH TYR 7 -11.293 -8.876 -8.903 60 H ARG 8 H ARG 8 -9.472 -14.080 -8.295 61 HA ARG 8 HA ARG 8 -9.909 -14.043 -5.449 62 HB2 ARG 8 HB2 ARG 8 -7.586 -14.640 -4.946 63 HB3 ARG 8 HB3 ARG 8 -8.430 -15.982 -5.691 64 HG2 ARG 8 HG2 ARG 8 -6.522 -14.135 -7.153 65 HG3 ARG 8 HG3 ARG 8 -6.053 -15.672 -6.433 66 HD2 ARG 8 HD2 ARG 8 -7.605 -16.839 -7.901 67 HD3 ARG 8 HD3 ARG 8 -8.134 -15.307 -8.583 68 HE ARG 8 HE ARG 8 -5.468 -15.322 -8.991 69 HH11 ARG 8 HH11 ARG 8 -8.123 -17.564 -9.792 70 HH12 ARG 8 HH12 ARG 8 -7.391 -18.126 -11.218 71 HH21 ARG 8 HH21 ARG 8 -4.474 -16.137 -11.047 72 HH22 ARG 8 HH22 ARG 8 -5.308 -17.320 -11.926 73 H CYS 9 H CYS 9 -7.890 -12.700 -4.543 74 HA CYS 9 HA CYS 9 -7.765 -10.296 -6.207 75 HB2 CYS 9 HB2 CYS 9 -7.523 -10.577 -3.200 76 HB3 CYS 9 HB3 CYS 9 -7.561 -9.070 -4.108 77 HA PRO 10 HA PRO 10 -3.318 -10.761 -6.632 78 HB2 PRO 10 HB2 PRO 10 -3.397 -7.834 -5.882 79 HB3 PRO 10 HB3 PRO 10 -2.514 -8.634 -7.189 80 HG2 PRO 10 HG2 PRO 10 -4.722 -7.333 -7.734 81 HG3 PRO 10 HG3 PRO 10 -4.434 -8.920 -8.472 82 HD2 PRO 10 HD2 PRO 10 -6.249 -8.181 -6.219 83 HD3 PRO 10 HD3 PRO 10 -6.490 -9.348 -7.536 84 H CYS 11 H CYS 11 -4.284 -8.608 -3.955 85 HA CYS 11 HA CYS 11 -2.237 -9.875 -2.353 86 HB2 CYS 11 HB2 CYS 11 -3.677 -7.264 -2.014 87 HB3 CYS 11 HB3 CYS 11 -2.678 -7.971 -0.748 88 H ARG 12 H ARG 12 -2.900 -11.557 -1.350 89 HA ARG 12 HA ARG 12 -5.641 -11.769 -0.380 90 HB2 ARG 12 HB2 ARG 12 -3.385 -13.775 -0.253 91 HB3 ARG 12 HB3 ARG 12 -5.089 -14.085 0.032 92 HG2 ARG 12 HG2 ARG 12 -5.564 -13.583 -2.318 93 HG3 ARG 12 HG3 ARG 12 -3.846 -13.292 -2.592 94 HD2 ARG 12 HD2 ARG 12 -3.397 -15.609 -1.818 95 HD3 ARG 12 HD3 ARG 12 -5.136 -15.867 -1.730 96 HE ARG 12 HE ARG 12 -4.087 -14.966 -4.257 97 HH11 ARG 12 HH11 ARG 12 -5.273 -17.693 -2.305 98 HH12 ARG 12 HH12 ARG 12 -5.341 -18.797 -3.591 99 HH21 ARG 12 HH21 ARG 12 -4.205 -16.516 -6.071 100 HH22 ARG 12 HH22 ARG 12 -4.759 -18.098 -5.786 101 H PHE 13 H PHE 13 -2.468 -11.017 0.628 102 HA PHE 13 HA PHE 13 -3.305 -10.937 3.401 103 HB2 PHE 13 HB2 PHE 13 -1.096 -11.828 4.122 104 HB3 PHE 13 HB3 PHE 13 -2.043 -13.008 3.232 105 HD1 PHE 13 HD1 PHE 13 0.914 -10.819 3.144 106 HD2 PHE 13 HD2 PHE 13 -1.279 -13.853 1.113 107 HE1 PHE 13 HE1 PHE 13 2.838 -11.210 1.662 108 HE2 PHE 13 HE2 PHE 13 0.642 -14.244 -0.375 109 HZ PHE 13 HZ PHE 13 2.703 -12.926 -0.099 110 H PHE 14 H PHE 14 -2.240 -9.361 4.611 111 HA PHE 14 HA PHE 14 -0.512 -7.409 3.187 112 HB2 PHE 14 HB2 PHE 14 -2.873 -6.799 4.940 113 HB3 PHE 14 HB3 PHE 14 -1.826 -5.591 4.195 114 HD1 PHE 14 HD1 PHE 14 -2.093 -5.148 1.769 115 HD2 PHE 14 HD2 PHE 14 -4.656 -7.845 3.824 116 HE1 PHE 14 HE1 PHE 14 -3.693 -5.041 -0.091 117 HE2 PHE 14 HE2 PHE 14 -6.265 -7.742 1.971 118 HZ PHE 14 HZ PHE 14 -5.789 -6.340 0.010 119 H GLU 15 H GLU 15 0.924 -6.354 4.569 120 HA GLU 15 HA GLU 15 1.341 -7.647 7.119 121 HB2 GLU 15 HB2 GLU 15 2.995 -6.993 5.146 122 HB3 GLU 15 HB3 GLU 15 2.943 -5.420 5.902 123 HG2 GLU 15 HG2 GLU 15 3.850 -7.978 7.204 124 HG3 GLU 15 HG3 GLU 15 4.854 -6.738 6.468 125 H SER 16 H SER 16 0.985 -6.438 9.044 126 HA SER 16 HA SER 16 -0.357 -3.866 8.625 127 HB2 SER 16 HB2 SER 16 -1.736 -4.492 10.651 128 HB3 SER 16 HB3 SER 16 -2.040 -5.425 9.183 129 HG SER 16 HG SER 16 -0.952 -7.118 10.008 130 H HIS 17 H HIS 17 2.399 -5.098 9.884 131 HA HIS 17 HA HIS 17 2.563 -3.049 12.032 132 HB2 HIS 17 HB2 HIS 17 2.853 -5.466 12.716 133 HB3 HIS 17 HB3 HIS 17 4.213 -5.560 11.604 134 HD1 HIS 17 HD1 HIS 17 6.430 -4.862 12.490 135 HD2 HIS 17 HD2 HIS 17 3.307 -3.583 14.890 136 HE1 HIS 17 HE1 HIS 17 7.499 -3.849 14.514 137 HE2 HIS 17 HE2 HIS 17 5.571 -3.405 16.066 138 H VAL 18 H VAL 18 2.795 -2.837 9.117 139 HA VAL 18 HA VAL 18 5.419 -2.810 8.252 140 HB VAL 18 HB VAL 18 3.178 -1.093 7.195 141 HG11 VAL 18 HG11 VAL 18 4.474 -1.085 5.114 142 HG12 VAL 18 HG12 VAL 18 5.731 -2.042 5.900 143 HG13 VAL 18 HG13 VAL 18 5.419 -0.408 6.453 144 HG21 VAL 18 HG21 VAL 18 2.563 -3.448 7.205 145 HG22 VAL 18 HG22 VAL 18 4.079 -3.860 6.428 146 HG23 VAL 18 HG23 VAL 18 2.875 -2.905 5.556 147 H ALA 19 H ALA 19 7.028 -1.564 8.644 148 HA ALA 19 HA ALA 19 6.631 1.078 9.798 149 HB1 ALA 19 HB1 ALA 19 9.063 0.966 10.261 150 HB2 ALA 19 HB2 ALA 19 9.118 -0.609 9.474 151 HB3 ALA 19 HB3 ALA 19 8.199 -0.403 10.963 152 H ARG 20 H ARG 20 7.058 2.850 8.617 153 HA ARG 20 HA ARG 20 7.237 2.627 5.812 154 HB2 ARG 20 HB2 ARG 20 6.029 4.418 6.882 155 HB3 ARG 20 HB3 ARG 20 7.491 5.057 7.596 156 HG2 ARG 20 HG2 ARG 20 8.333 5.638 5.393 157 HG3 ARG 20 HG3 ARG 20 6.922 4.890 4.641 158 HD2 ARG 20 HD2 ARG 20 5.484 6.419 5.790 159 HD3 ARG 20 HD3 ARG 20 6.876 7.236 6.531 160 HE ARG 20 HE ARG 20 7.198 7.226 3.757 161 HH11 ARG 20 HH11 ARG 20 5.055 8.695 6.162 162 HH12 ARG 20 HH12 ARG 20 4.686 10.049 5.199 163 HH21 ARG 20 HH21 ARG 20 6.659 9.068 2.444 164 HH22 ARG 20 HH22 ARG 20 5.597 10.250 3.031 165 H ALA 21 H ALA 21 9.608 3.052 8.265 166 HA ALA 21 HA ALA 21 11.706 3.798 6.440 167 HB1 ALA 21 HB1 ALA 21 11.733 4.583 8.766 168 HB2 ALA 21 HB2 ALA 21 13.176 3.638 8.386 169 HB3 ALA 21 HB3 ALA 21 11.870 2.913 9.320 170 H ASN 22 H ASN 22 10.141 0.946 7.111 171 HA ASN 22 HA ASN 22 12.517 -0.724 6.749 172 HB2 ASN 22 HB2 ASN 22 10.906 -1.343 8.544 173 HB3 ASN 22 HB3 ASN 22 9.666 -1.583 7.313 174 HD21 ASN 22 HD21 ASN 22 9.393 -3.755 7.809 175 HD22 ASN 22 HD22 ASN 22 10.592 -4.935 7.468 176 H VAL 23 H VAL 23 9.536 0.223 5.091 177 HA VAL 23 HA VAL 23 9.992 -1.629 2.988 178 HB VAL 23 HB VAL 23 8.148 -0.383 1.872 179 HG11 VAL 23 HG11 VAL 23 6.401 -1.256 3.412 180 HG12 VAL 23 HG12 VAL 23 7.666 -1.518 4.618 181 HG13 VAL 23 HG13 VAL 23 7.706 -2.400 3.093 182 HG21 VAL 23 HG21 VAL 23 8.369 1.773 2.954 183 HG22 VAL 23 HG22 VAL 23 7.987 1.050 4.518 184 HG23 VAL 23 HG23 VAL 23 6.758 1.116 3.256 185 H LYS 24 H LYS 24 10.721 -1.257 1.019 186 HA LYS 24 HA LYS 24 12.470 1.060 0.662 187 HB2 LYS 24 HB2 LYS 24 13.271 -0.066 -1.333 188 HB3 LYS 24 HB3 LYS 24 13.278 -1.167 0.018 189 HG2 LYS 24 HG2 LYS 24 11.542 -2.434 -0.767 190 HG3 LYS 24 HG3 LYS 24 10.922 -1.154 -1.799 191 HD2 LYS 24 HD2 LYS 24 13.457 -2.750 -2.267 192 HD3 LYS 24 HD3 LYS 24 11.912 -2.935 -3.115 193 HE2 LYS 24 HE2 LYS 24 12.089 -0.554 -3.817 194 HE3 LYS 24 HE3 LYS 24 13.676 -0.488 -3.158 195 HZ1 LYS 24 HZ1 LYS 24 13.814 -0.951 -5.523 196 HZ2 LYS 24 HZ2 LYS 24 12.875 -2.329 -5.333 197 HZ3 LYS 24 HZ3 LYS 24 14.403 -2.268 -4.649 198 H HIS 25 H HIS 25 9.509 -0.221 -0.634 199 HA HIS 25 HA HIS 25 9.085 2.133 -2.258 200 HB2 HIS 25 HB2 HIS 25 10.671 0.860 -3.575 201 HB3 HIS 25 HB3 HIS 25 9.703 -0.573 -3.370 202 HD1 HIS 25 HD1 HIS 25 8.717 2.877 -4.668 203 HD2 HIS 25 HD2 HIS 25 8.733 -1.122 -5.672 204 HE1 HIS 25 HE1 HIS 25 7.406 2.738 -6.818 205 HE2 HIS 25 HE2 HIS 25 7.664 0.350 -7.538 206 H LEU 26 H LEU 26 6.938 2.417 -2.512 207 HA LEU 26 HA LEU 26 5.161 0.143 -2.020 208 HB2 LEU 26 HB2 LEU 26 4.642 3.099 -1.671 209 HB3 LEU 26 HB3 LEU 26 3.406 1.875 -1.555 210 HG LEU 26 HG LEU 26 4.651 0.955 0.448 211 HD11 LEU 26 HD11 LEU 26 6.217 2.424 1.597 212 HD12 LEU 26 HD12 LEU 26 6.185 3.532 0.229 213 HD13 LEU 26 HD13 LEU 26 6.839 1.909 0.029 214 HD21 LEU 26 HD21 LEU 26 2.665 2.324 0.674 215 HD22 LEU 26 HD22 LEU 26 3.645 3.786 0.603 216 HD23 LEU 26 HD23 LEU 26 3.813 2.674 1.962 217 H LYS 27 H LYS 27 3.668 -0.313 -3.523 218 HA LYS 27 HA LYS 27 3.183 1.515 -5.744 219 HB2 LYS 27 HB2 LYS 27 5.092 -0.254 -6.219 220 HB3 LYS 27 HB3 LYS 27 3.814 -1.398 -6.182 221 HG2 LYS 27 HG2 LYS 27 3.760 0.919 -8.108 222 HG3 LYS 27 HG3 LYS 27 4.517 -0.616 -8.489 223 HD2 LYS 27 HD2 LYS 27 1.611 -0.248 -7.745 224 HD3 LYS 27 HD3 LYS 27 2.222 -0.400 -9.394 225 HE2 LYS 27 HE2 LYS 27 3.135 -2.621 -8.812 226 HE3 LYS 27 HE3 LYS 27 2.437 -2.463 -7.203 227 HZ1 LYS 27 HZ1 LYS 27 1.000 -3.761 -8.652 228 HZ2 LYS 27 HZ2 LYS 27 0.957 -2.491 -9.755 229 HZ3 LYS 27 HZ3 LYS 27 0.233 -2.297 -8.268 230 H ILE 28 H ILE 28 1.064 1.727 -5.411 231 HA ILE 28 HA ILE 28 -0.409 -0.492 -4.263 232 HB ILE 28 HB ILE 28 -1.533 2.268 -4.897 233 HG12 ILE 28 HG12 ILE 28 -0.332 1.147 -2.380 234 HG13 ILE 28 HG13 ILE 28 0.372 2.422 -3.355 235 HG21 ILE 28 HG21 ILE 28 -3.209 0.439 -4.546 236 HG22 ILE 28 HG22 ILE 28 -3.245 1.646 -3.254 237 HG23 ILE 28 HG23 ILE 28 -2.439 0.100 -2.986 238 HD11 ILE 28 HD11 ILE 28 -0.690 3.241 -1.301 239 HD12 ILE 28 HD12 ILE 28 -2.226 2.597 -1.837 240 HD13 ILE 28 HD13 ILE 28 -1.468 3.921 -2.739 241 H LEU 29 H LEU 29 -1.929 -1.683 -5.234 242 HA LEU 29 HA LEU 29 -2.377 -1.363 -8.120 243 HB2 LEU 29 HB2 LEU 29 -1.171 -3.389 -7.541 244 HB3 LEU 29 HB3 LEU 29 -2.337 -3.767 -6.303 245 HG LEU 29 HG LEU 29 -4.014 -4.321 -7.954 246 HD11 LEU 29 HD11 LEU 29 -3.384 -2.669 -9.684 247 HD12 LEU 29 HD12 LEU 29 -3.497 -4.304 -10.342 248 HD13 LEU 29 HD13 LEU 29 -1.920 -3.598 -10.007 249 HD21 LEU 29 HD21 LEU 29 -1.355 -5.563 -8.592 250 HD22 LEU 29 HD22 LEU 29 -2.938 -6.239 -8.975 251 HD23 LEU 29 HD23 LEU 29 -2.448 -6.038 -7.291 252 H ASN 30 H ASN 30 -4.450 -0.939 -8.711 253 HA ASN 30 HA ASN 30 -6.471 -1.182 -6.608 254 HB2 ASN 30 HB2 ASN 30 -7.881 0.354 -7.827 255 HB3 ASN 30 HB3 ASN 30 -6.278 1.055 -7.739 256 HD21 ASN 30 HD21 ASN 30 -5.101 1.319 -9.658 257 HD22 ASN 30 HD22 ASN 30 -5.829 1.112 -11.205 258 H THR 31 H THR 31 -8.048 -2.678 -6.729 259 HA THR 31 HA THR 31 -8.486 -3.945 -9.326 260 HB THR 31 HB THR 31 -8.820 -5.169 -6.595 261 HG1 THR 31 HG1 THR 31 -6.799 -5.504 -8.588 262 HG21 THR 31 HG21 THR 31 -9.085 -7.313 -7.810 263 HG22 THR 31 HG22 THR 31 -8.976 -6.440 -9.337 264 HG23 THR 31 HG23 THR 31 -10.334 -6.147 -8.249 265 HA PRO 32 HA PRO 32 -12.530 -2.042 -9.300 266 HB2 PRO 32 HB2 PRO 32 -13.188 -4.728 -10.409 267 HB3 PRO 32 HB3 PRO 32 -13.700 -3.145 -10.988 268 HG2 PRO 32 HG2 PRO 32 -11.744 -4.384 -12.221 269 HG3 PRO 32 HG3 PRO 32 -11.575 -2.658 -11.861 270 HD2 PRO 32 HD2 PRO 32 -10.274 -4.996 -10.514 271 HD3 PRO 32 HD3 PRO 32 -9.660 -3.357 -10.837 272 H ASN 33 H ASN 33 -12.014 -5.126 -7.755 273 HA ASN 33 HA ASN 33 -14.423 -4.767 -6.155 274 HB2 ASN 33 HB2 ASN 33 -15.006 -7.187 -6.512 275 HB3 ASN 33 HB3 ASN 33 -15.243 -6.139 -7.902 276 HD21 ASN 33 HD21 ASN 33 -15.070 -7.710 -9.416 277 HD22 ASN 33 HD22 ASN 33 -13.601 -8.545 -9.759 278 H CYS 34 H CYS 34 -11.226 -5.163 -6.077 279 HA CYS 34 HA CYS 34 -11.390 -6.587 -3.530 280 HB2 CYS 34 HB2 CYS 34 -9.127 -6.701 -5.542 281 HB3 CYS 34 HB3 CYS 34 -9.047 -7.310 -3.904 282 H ALA 35 H ALA 35 -11.328 -3.758 -4.786 283 HA ALA 35 HA ALA 35 -10.739 -1.699 -4.185 284 HB1 ALA 35 HB1 ALA 35 -9.804 -3.062 -1.701 285 HB2 ALA 35 HB2 ALA 35 -11.455 -2.508 -2.014 286 HB3 ALA 35 HB3 ALA 35 -10.131 -1.324 -1.864 287 H LEU 36 H LEU 36 -8.633 -0.616 -2.867 288 HA LEU 36 HA LEU 36 -6.544 -1.406 -4.620 289 HB2 LEU 36 HB2 LEU 36 -5.346 0.636 -3.861 290 HB3 LEU 36 HB3 LEU 36 -6.872 0.906 -4.657 291 HG LEU 36 HG LEU 36 -7.860 1.247 -2.336 292 HD11 LEU 36 HD11 LEU 36 -4.953 1.468 -1.597 293 HD12 LEU 36 HD12 LEU 36 -6.083 0.241 -1.031 294 HD13 LEU 36 HD13 LEU 36 -6.324 1.932 -0.583 295 HD21 LEU 36 HD21 LEU 36 -5.771 3.086 -3.401 296 HD22 LEU 36 HD22 LEU 36 -7.064 3.557 -2.272 297 HD23 LEU 36 HD23 LEU 36 -7.455 2.976 -3.899 298 H GLN 37 H GLN 37 -4.708 -2.233 -4.164 299 HA GLN 37 HA GLN 37 -4.257 -3.252 -1.444 300 HB2 GLN 37 HB2 GLN 37 -3.916 -4.530 -4.155 301 HB3 GLN 37 HB3 GLN 37 -3.369 -5.243 -2.639 302 HG2 GLN 37 HG2 GLN 37 -5.459 -5.768 -1.965 303 HG3 GLN 37 HG3 GLN 37 -6.204 -4.412 -2.813 304 HE21 GLN 37 HE21 GLN 37 -6.704 -4.602 -4.889 305 HE22 GLN 37 HE22 GLN 37 -6.789 -6.067 -5.763 306 H ILE 38 H ILE 38 -2.223 -2.869 -0.756 307 HA ILE 38 HA ILE 38 -0.596 -1.200 -2.510 308 HB ILE 38 HB ILE 38 -0.509 -1.750 0.403 309 HG12 ILE 38 HG12 ILE 38 -1.657 0.656 -1.008 310 HG13 ILE 38 HG13 ILE 38 -2.580 -0.653 -0.287 311 HG21 ILE 38 HG21 ILE 38 1.670 -0.982 -0.351 312 HG22 ILE 38 HG22 ILE 38 0.914 0.348 0.512 313 HG23 ILE 38 HG23 ILE 38 0.971 0.348 -1.254 314 HD11 ILE 38 HD11 ILE 38 -1.751 -0.073 1.892 315 HD12 ILE 38 HD12 ILE 38 -2.508 1.316 1.082 316 HD13 ILE 38 HD13 ILE 38 -0.742 1.204 1.141 317 H VAL 39 H VAL 39 1.402 -1.934 -3.164 318 HA VAL 39 HA VAL 39 2.392 -4.447 -1.996 319 HB VAL 39 HB VAL 39 2.922 -3.216 -4.708 320 HG11 VAL 39 HG11 VAL 39 4.839 -4.420 -3.964 321 HG12 VAL 39 HG12 VAL 39 4.064 -5.293 -5.275 322 HG13 VAL 39 HG13 VAL 39 3.869 -5.854 -3.603 323 HG21 VAL 39 HG21 VAL 39 1.661 -5.105 -5.635 324 HG22 VAL 39 HG22 VAL 39 0.668 -4.085 -4.593 325 HG23 VAL 39 HG23 VAL 39 1.270 -5.636 -3.996 326 H ALA 40 H ALA 40 4.194 -4.275 -0.861 327 HA ALA 40 HA ALA 40 6.113 -2.214 -1.577 328 HB1 ALA 40 HB1 ALA 40 6.369 -1.446 0.689 329 HB2 ALA 40 HB2 ALA 40 5.097 -2.543 1.219 330 HB3 ALA 40 HB3 ALA 40 4.708 -1.200 0.140 331 H ARG 41 H ARG 41 8.209 -2.875 -1.320 332 HA ARG 41 HA ARG 41 8.514 -5.476 -0.195 333 HB2 ARG 41 HB2 ARG 41 9.163 -4.604 -2.536 334 HB3 ARG 41 HB3 ARG 41 10.533 -3.936 -1.688 335 HG2 ARG 41 HG2 ARG 41 11.191 -6.064 -0.844 336 HG3 ARG 41 HG3 ARG 41 9.599 -6.612 -1.470 337 HD2 ARG 41 HD2 ARG 41 10.247 -6.270 -3.681 338 HD3 ARG 41 HD3 ARG 41 11.837 -5.608 -3.138 339 HE ARG 41 HE ARG 41 12.121 -7.973 -2.236 340 HH11 ARG 41 HH11 ARG 41 10.313 -7.241 -5.203 341 HH12 ARG 41 HH12 ARG 41 10.698 -8.702 -5.963 342 HH21 ARG 41 HH21 ARG 41 12.666 -9.990 -3.301 343 HH22 ARG 41 HH22 ARG 41 12.082 -10.312 -4.857 344 H LEU 42 H LEU 42 9.984 -5.828 1.345 345 HA LEU 42 HA LEU 42 10.646 -3.570 3.049 346 HB2 LEU 42 HB2 LEU 42 11.436 -6.428 3.422 347 HB3 LEU 42 HB3 LEU 42 11.378 -5.189 4.617 348 HG LEU 42 HG LEU 42 8.945 -6.399 3.303 349 HD11 LEU 42 HD11 LEU 42 9.974 -6.586 6.113 350 HD12 LEU 42 HD12 LEU 42 9.973 -7.882 4.909 351 HD13 LEU 42 HD13 LEU 42 8.448 -7.246 5.532 352 HD21 LEU 42 HD21 LEU 42 9.133 -4.278 5.438 353 HD22 LEU 42 HD22 LEU 42 7.647 -5.042 4.865 354 HD23 LEU 42 HD23 LEU 42 8.605 -4.045 3.774 355 H LYS 43 H LYS 43 12.720 -2.993 3.600 356 HA LYS 43 HA LYS 43 14.615 -3.249 1.481 357 HB2 LYS 43 HB2 LYS 43 14.860 -1.913 4.174 358 HB3 LYS 43 HB3 LYS 43 16.033 -1.786 2.870 359 HG2 LYS 43 HG2 LYS 43 14.416 -0.714 1.465 360 HG3 LYS 43 HG3 LYS 43 13.159 -0.884 2.698 361 HD2 LYS 43 HD2 LYS 43 14.038 1.369 2.681 362 HD3 LYS 43 HD3 LYS 43 14.532 0.569 4.171 363 HE2 LYS 43 HE2 LYS 43 16.717 0.131 3.247 364 HE3 LYS 43 HE3 LYS 43 16.222 0.826 1.700 365 HZ1 LYS 43 HZ1 LYS 43 15.953 2.962 2.821 366 HZ2 LYS 43 HZ2 LYS 43 17.522 2.398 3.049 367 HZ3 LYS 43 HZ3 LYS 43 16.371 2.289 4.285 368 H ASN 44 H ASN 44 14.578 -4.194 4.905 369 HA ASN 44 HA ASN 44 17.209 -5.338 4.687 370 HB2 ASN 44 HB2 ASN 44 16.484 -4.184 6.748 371 HB3 ASN 44 HB3 ASN 44 15.275 -5.431 7.015 372 HD21 ASN 44 HD21 ASN 44 15.927 -7.453 7.792 373 HD22 ASN 44 HD22 ASN 44 17.524 -7.730 8.364 374 H ASN 45 H ASN 45 13.945 -6.570 4.896 375 HA ASN 45 HA ASN 45 14.831 -9.325 5.032 376 HB2 ASN 45 HB2 ASN 45 12.635 -8.352 6.014 377 HB3 ASN 45 HB3 ASN 45 12.039 -8.388 4.360 378 HD21 ASN 45 HD21 ASN 45 10.882 -9.769 6.499 379 HD22 ASN 45 HD22 ASN 45 11.045 -11.450 6.243 380 H ASN 46 H ASN 46 13.764 -7.007 2.633 381 HA ASN 46 HA ASN 46 13.667 -6.947 0.375 382 HB2 ASN 46 HB2 ASN 46 15.991 -7.969 0.510 383 HB3 ASN 46 HB3 ASN 46 15.261 -9.559 0.416 384 HD21 ASN 46 HD21 ASN 46 16.062 -6.653 -1.325 385 HD22 ASN 46 HD22 ASN 46 15.834 -7.270 -2.906 386 H ARG 47 H ARG 47 11.774 -8.701 2.171 387 HA ARG 47 HA ARG 47 10.612 -10.338 0.187 388 HB2 ARG 47 HB2 ARG 47 10.132 -9.697 3.027 389 HB3 ARG 47 HB3 ARG 47 8.855 -10.491 2.154 390 HG2 ARG 47 HG2 ARG 47 10.518 -12.268 1.566 391 HG3 ARG 47 HG3 ARG 47 11.640 -11.463 2.672 392 HD2 ARG 47 HD2 ARG 47 10.232 -11.745 4.482 393 HD3 ARG 47 HD3 ARG 47 8.899 -12.177 3.402 394 HE ARG 47 HE ARG 47 11.155 -13.969 3.272 395 HH11 ARG 47 HH11 ARG 47 8.163 -13.398 5.128 396 HH12 ARG 47 HH12 ARG 47 8.034 -15.009 5.625 397 HH21 ARG 47 HH21 ARG 47 10.947 -16.143 3.981 398 HH22 ARG 47 HH22 ARG 47 9.643 -16.611 4.977 399 H GLN 48 H GLN 48 8.800 -9.902 -0.916 400 HA GLN 48 HA GLN 48 7.863 -7.152 -0.802 401 HB2 GLN 48 HB2 GLN 48 8.728 -8.164 -2.941 402 HB3 GLN 48 HB3 GLN 48 7.397 -9.304 -2.860 403 HG2 GLN 48 HG2 GLN 48 5.829 -7.408 -2.921 404 HG3 GLN 48 HG3 GLN 48 7.229 -6.356 -3.051 405 HE21 GLN 48 HE21 GLN 48 5.386 -8.819 -4.687 406 HE22 GLN 48 HE22 GLN 48 5.981 -8.503 -6.272 407 H VAL 49 H VAL 49 6.043 -6.765 0.220 408 HA VAL 49 HA VAL 49 4.098 -8.938 0.491 409 HB VAL 49 HB VAL 49 3.582 -8.130 2.782 410 HG11 VAL 49 HG11 VAL 49 5.566 -9.016 3.927 411 HG12 VAL 49 HG12 VAL 49 6.465 -8.926 2.411 412 HG13 VAL 49 HG13 VAL 49 5.086 -10.016 2.555 413 HG21 VAL 49 HG21 VAL 49 4.358 -5.821 2.570 414 HG22 VAL 49 HG22 VAL 49 6.025 -6.377 2.439 415 HG23 VAL 49 HG23 VAL 49 5.132 -6.610 3.945 416 H CYS 50 H CYS 50 2.017 -7.815 1.483 417 HA CYS 50 HA CYS 50 1.543 -5.464 -0.165 418 HB2 CYS 50 HB2 CYS 50 -0.517 -7.360 0.998 419 HB3 CYS 50 HB3 CYS 50 -0.792 -6.012 -0.058 420 H ILE 51 H ILE 51 0.428 -3.750 0.747 421 HA ILE 51 HA ILE 51 0.591 -3.714 3.658 422 HB ILE 51 HB ILE 51 0.776 -1.341 1.785 423 HG12 ILE 51 HG12 ILE 51 2.778 -2.885 3.358 424 HG13 ILE 51 HG13 ILE 51 2.749 -2.585 1.648 425 HG21 ILE 51 HG21 ILE 51 -0.301 -0.742 3.904 426 HG22 ILE 51 HG22 ILE 51 1.312 -0.046 3.788 427 HG23 ILE 51 HG23 ILE 51 1.040 -1.474 4.781 428 HD11 ILE 51 HD11 ILE 51 3.171 -0.218 1.930 429 HD12 ILE 51 HD12 ILE 51 4.443 -1.154 2.714 430 HD13 ILE 51 HD13 ILE 51 3.165 -0.398 3.679 431 H ASP 52 H ASP 52 -1.013 -3.046 4.795 432 HA ASP 52 HA ASP 52 -3.625 -3.173 3.734 433 HB2 ASP 52 HB2 ASP 52 -3.009 -4.022 5.769 434 HB3 ASP 52 HB3 ASP 52 -2.510 -2.471 6.423 435 HA PRO 53 HA PRO 53 -3.798 1.115 2.686 436 HB2 PRO 53 HB2 PRO 53 -6.418 1.266 2.085 437 HB3 PRO 53 HB3 PRO 53 -5.230 0.477 1.041 438 HG2 PRO 53 HG2 PRO 53 -7.143 -0.746 2.986 439 HG3 PRO 53 HG3 PRO 53 -6.717 -1.276 1.349 440 HD2 PRO 53 HD2 PRO 53 -5.673 -2.391 3.590 441 HD3 PRO 53 HD3 PRO 53 -4.794 -2.307 2.050 442 H LYS 54 H LYS 54 -5.376 -0.172 5.492 443 HA LYS 54 HA LYS 54 -6.247 2.541 6.085 444 HB2 LYS 54 HB2 LYS 54 -7.791 1.688 7.702 445 HB3 LYS 54 HB3 LYS 54 -8.075 1.016 6.111 446 HG2 LYS 54 HG2 LYS 54 -7.043 -1.068 6.839 447 HG3 LYS 54 HG3 LYS 54 -6.781 -0.357 8.439 448 HD2 LYS 54 HD2 LYS 54 -8.833 -1.567 8.624 449 HD3 LYS 54 HD3 LYS 54 -9.109 0.193 8.465 450 HE2 LYS 54 HE2 LYS 54 -9.795 0.015 6.200 451 HE3 LYS 54 HE3 LYS 54 -9.300 -1.669 6.110 452 HZ1 LYS 54 HZ1 LYS 54 -11.095 -2.258 7.590 453 HZ2 LYS 54 HZ2 LYS 54 -11.703 -1.384 6.300 454 HZ3 LYS 54 HZ3 LYS 54 -11.524 -0.640 7.795 455 H LEU 55 H LEU 55 -3.553 1.054 6.438 456 HA LEU 55 HA LEU 55 -2.937 1.291 9.164 457 HB2 LEU 55 HB2 LEU 55 -1.296 1.549 6.675 458 HB3 LEU 55 HB3 LEU 55 -0.571 1.865 8.226 459 HG LEU 55 HG LEU 55 -1.764 -0.762 7.298 460 HD11 LEU 55 HD11 LEU 55 1.084 0.116 7.761 461 HD12 LEU 55 HD12 LEU 55 0.337 -0.117 6.183 462 HD13 LEU 55 HD13 LEU 55 0.576 -1.498 7.259 463 HD21 LEU 55 HD21 LEU 55 -1.936 -0.447 9.753 464 HD22 LEU 55 HD22 LEU 55 -0.197 -0.089 9.765 465 HD23 LEU 55 HD23 LEU 55 -0.751 -1.684 9.297 466 H LYS 56 H LYS 56 -2.135 2.941 10.345 467 HA LYS 56 HA LYS 56 -3.378 5.404 9.877 468 HB2 LYS 56 HB2 LYS 56 -3.077 4.553 12.116 469 HB3 LYS 56 HB3 LYS 56 -1.337 4.597 11.964 470 HG2 LYS 56 HG2 LYS 56 -1.402 7.015 11.826 471 HG3 LYS 56 HG3 LYS 56 -3.163 6.983 11.950 472 HD2 LYS 56 HD2 LYS 56 -2.992 5.961 14.166 473 HD3 LYS 56 HD3 LYS 56 -1.232 5.951 14.036 474 HE2 LYS 56 HE2 LYS 56 -1.215 8.382 13.928 475 HE3 LYS 56 HE3 LYS 56 -2.974 8.411 13.992 476 HZ1 LYS 56 HZ1 LYS 56 -1.186 7.392 16.130 477 HZ2 LYS 56 HZ2 LYS 56 -2.868 7.444 16.197 478 HZ3 LYS 56 HZ3 LYS 56 -1.994 8.866 16.140 479 H TRP 57 H TRP 57 0.072 4.471 9.606 480 HA TRP 57 HA TRP 57 0.732 7.158 8.857 481 HB2 TRP 57 HB2 TRP 57 2.978 6.400 8.352 482 HB3 TRP 57 HB3 TRP 57 2.492 5.708 9.880 483 HD1 TRP 57 HD1 TRP 57 2.286 3.014 9.963 484 HE1 TRP 57 HE1 TRP 57 3.155 1.215 8.410 485 HE3 TRP 57 HE3 TRP 57 3.343 5.911 5.894 486 HZ2 TRP 57 HZ2 TRP 57 4.134 1.005 5.804 487 HZ3 TRP 57 HZ3 TRP 57 4.259 4.829 3.896 488 HH2 TRP 57 HH2 TRP 57 4.652 2.443 3.836 489 H ILE 58 H ILE 58 -0.325 4.362 7.201 490 HA ILE 58 HA ILE 58 0.369 5.152 4.581 491 HB ILE 58 HB ILE 58 -1.751 3.259 5.636 492 HG12 ILE 58 HG12 ILE 58 0.604 2.528 5.705 493 HG13 ILE 58 HG13 ILE 58 -0.343 1.508 4.638 494 HG21 ILE 58 HG21 ILE 58 -2.228 2.526 3.376 495 HG22 ILE 58 HG22 ILE 58 -1.203 3.824 2.750 496 HG23 ILE 58 HG23 ILE 58 -2.689 4.220 3.634 497 HD11 ILE 58 HD11 ILE 58 1.800 1.989 3.660 498 HD12 ILE 58 HD12 ILE 58 1.518 3.716 3.780 499 HD13 ILE 58 HD13 ILE 58 0.519 2.734 2.707 500 H GLN 59 H GLN 59 -2.225 5.999 6.707 501 HA GLN 59 HA GLN 59 -3.747 7.366 4.771 502 HB2 GLN 59 HB2 GLN 59 -3.628 7.779 7.761 503 HB3 GLN 59 HB3 GLN 59 -4.819 8.513 6.691 504 HG2 GLN 59 HG2 GLN 59 -4.432 5.566 7.170 505 HG3 GLN 59 HG3 GLN 59 -5.739 6.575 7.796 506 HE21 GLN 59 HE21 GLN 59 -4.419 5.031 4.987 507 HE22 GLN 59 HE22 GLN 59 -5.791 5.197 3.970 508 H GLU 60 H GLU 60 -1.021 8.304 6.763 509 HA GLU 60 HA GLU 60 -1.045 11.054 6.025 510 HB2 GLU 60 HB2 GLU 60 1.244 9.291 6.913 511 HB3 GLU 60 HB3 GLU 60 1.349 11.033 6.743 512 HG2 GLU 60 HG2 GLU 60 -0.435 9.537 8.638 513 HG3 GLU 60 HG3 GLU 60 1.054 10.396 9.054 514 H TYR 61 H TYR 61 0.516 8.202 4.760 515 HA TYR 61 HA TYR 61 2.037 9.216 2.650 516 HB2 TYR 61 HB2 TYR 61 2.095 6.796 3.345 517 HB3 TYR 61 HB3 TYR 61 0.448 6.663 2.857 518 HD1 TYR 61 HD1 TYR 61 3.650 7.742 1.212 519 HD2 TYR 61 HD2 TYR 61 0.014 5.569 0.969 520 HE1 TYR 61 HE1 TYR 61 4.245 7.000 -1.063 521 HE2 TYR 61 HE2 TYR 61 0.533 4.835 -1.251 522 HH TYR 61 HH TYR 61 3.694 5.172 -2.592 523 H LEU 62 H LEU 62 -1.275 8.060 2.628 524 HA LEU 62 HA LEU 62 -1.672 8.792 -0.031 525 HB2 LEU 62 HB2 LEU 62 -3.457 7.718 2.065 526 HB3 LEU 62 HB3 LEU 62 -4.040 8.114 0.444 527 HG LEU 62 HG LEU 62 -1.626 6.414 0.821 528 HD11 LEU 62 HD11 LEU 62 -2.948 4.535 0.491 529 HD12 LEU 62 HD12 LEU 62 -4.456 5.524 0.631 530 HD13 LEU 62 HD13 LEU 62 -3.300 5.365 2.007 531 HD21 LEU 62 HD21 LEU 62 -1.954 7.338 -1.385 532 HD22 LEU 62 HD22 LEU 62 -3.611 6.721 -1.387 533 HD23 LEU 62 HD23 LEU 62 -2.256 5.595 -1.380 534 H GLU 63 H GLU 63 -2.578 10.311 3.042 535 HA GLU 63 HA GLU 63 -4.194 12.318 2.027 536 HB2 GLU 63 HB2 GLU 63 -3.789 11.821 4.441 537 HB3 GLU 63 HB3 GLU 63 -2.187 12.505 4.275 538 HG2 GLU 63 HG2 GLU 63 -3.120 14.659 3.777 539 HG3 GLU 63 HG3 GLU 63 -4.751 13.976 3.842 540 H LYS 64 H LYS 64 -0.719 12.042 2.314 541 HA LYS 64 HA LYS 64 0.110 14.508 1.346 542 HB2 LYS 64 HB2 LYS 64 1.646 12.887 2.287 543 HB3 LYS 64 HB3 LYS 64 1.298 11.768 0.995 544 HG2 LYS 64 HG2 LYS 64 3.334 12.680 0.426 545 HG3 LYS 64 HG3 LYS 64 2.171 13.427 -0.604 546 HD2 LYS 64 HD2 LYS 64 3.674 15.168 0.190 547 HD3 LYS 64 HD3 LYS 64 2.046 15.430 0.813 548 HE2 LYS 64 HE2 LYS 64 2.760 14.343 2.948 549 HE3 LYS 64 HE3 LYS 64 4.389 14.244 2.294 550 HZ1 LYS 64 HZ1 LYS 64 4.121 16.149 3.724 551 HZ2 LYS 64 HZ2 LYS 64 2.837 16.701 2.793 552 HZ3 LYS 64 HZ3 LYS 64 4.391 16.686 2.132 553 H ALA 65 H ALA 65 0.205 11.517 -0.470 554 HA ALA 65 HA ALA 65 0.492 12.587 -3.007 555 HB1 ALA 65 HB1 ALA 65 -0.046 10.413 -3.895 556 HB2 ALA 65 HB2 ALA 65 -0.814 9.960 -2.378 557 HB3 ALA 65 HB3 ALA 65 0.933 10.246 -2.434 558 H LEU 66 H LEU 66 -2.594 11.854 -1.387 559 HA LEU 66 HA LEU 66 -4.056 12.332 -3.787 560 HB2 LEU 66 HB2 LEU 66 -5.045 12.090 -0.950 561 HB3 LEU 66 HB3 LEU 66 -6.081 12.173 -2.360 562 HG LEU 66 HG LEU 66 -4.131 9.955 -1.709 563 HD11 LEU 66 HD11 LEU 66 -7.138 10.009 -1.670 564 HD12 LEU 66 HD12 LEU 66 -6.074 9.932 -0.267 565 HD13 LEU 66 HD13 LEU 66 -6.132 8.589 -1.409 566 HD21 LEU 66 HD21 LEU 66 -6.072 10.224 -4.009 567 HD22 LEU 66 HD22 LEU 66 -5.132 8.783 -3.624 568 HD23 LEU 66 HD23 LEU 66 -4.313 10.262 -4.127 569 H ASN 67 H ASN 67 -3.224 14.324 -0.952 570 HA ASN 67 HA ASN 67 -4.874 16.476 -2.001 571 HB2 ASN 67 HB2 ASN 67 -3.052 16.402 0.415 572 HB3 ASN 67 HB3 ASN 67 -3.990 17.805 -0.064 573 HD21 ASN 67 HD21 ASN 67 -5.137 17.845 1.822 574 HD22 ASN 67 HD22 ASN 67 -6.343 16.681 2.233 575 H LYS 68 H LYS 68 -1.832 15.315 -2.509 576 HA LYS 68 HA LYS 68 -0.186 17.497 -2.961 577 HB2 LYS 68 HB2 LYS 68 0.539 15.185 -2.930 578 HB3 LYS 68 HB3 LYS 68 -0.369 14.861 -4.391 579 HG2 LYS 68 HG2 LYS 68 1.087 16.387 -5.622 580 HG3 LYS 68 HG3 LYS 68 2.016 16.678 -4.148 581 HD2 LYS 68 HD2 LYS 68 2.552 14.365 -3.976 582 HD3 LYS 68 HD3 LYS 68 1.578 13.985 -5.399 583 HE2 LYS 68 HE2 LYS 68 3.061 15.438 -6.738 584 HE3 LYS 68 HE3 LYS 68 4.070 15.692 -5.312 585 HZ1 LYS 68 HZ1 LYS 68 3.542 13.098 -6.646 586 HZ2 LYS 68 HZ2 LYS 68 4.482 13.280 -5.275 587 HZ3 LYS 68 HZ3 LYS 68 4.972 13.973 -6.737 Start of MODEL 3 1 H LYS 1 H LYS 1 -14.441 -27.545 -6.079 2 HA LYS 1 HA LYS 1 -13.049 -25.795 -8.029 3 HB2 LYS 1 HB2 LYS 1 -15.570 -27.430 -8.506 4 HB3 LYS 1 HB3 LYS 1 -14.657 -26.531 -9.678 5 HG2 LYS 1 HG2 LYS 1 -14.200 -28.797 -10.145 6 HG3 LYS 1 HG3 LYS 1 -12.764 -28.196 -9.321 7 HD2 LYS 1 HD2 LYS 1 -13.347 -30.392 -8.471 8 HD3 LYS 1 HD3 LYS 1 -13.596 -29.193 -7.205 9 HE2 LYS 1 HE2 LYS 1 -16.040 -29.169 -7.811 10 HE3 LYS 1 HE3 LYS 1 -15.717 -30.478 -8.940 11 HZ1 LYS 1 HZ1 LYS 1 -16.565 -31.283 -6.829 12 HZ2 LYS 1 HZ2 LYS 1 -15.290 -30.560 -6.015 13 HZ3 LYS 1 HZ3 LYS 1 -14.993 -31.834 -7.074 14 HA PRO 2 HA PRO 2 -15.922 -22.962 -5.977 15 HB2 PRO 2 HB2 PRO 2 -14.874 -21.130 -8.054 16 HB3 PRO 2 HB3 PRO 2 -14.940 -20.917 -6.302 17 HG2 PRO 2 HG2 PRO 2 -12.623 -21.411 -7.530 18 HG3 PRO 2 HG3 PRO 2 -12.982 -22.116 -5.944 19 HD2 PRO 2 HD2 PRO 2 -13.060 -23.367 -8.648 20 HD3 PRO 2 HD3 PRO 2 -12.492 -24.039 -7.106 21 H VAL 3 H VAL 3 -15.593 -23.669 -9.389 22 HA VAL 3 HA VAL 3 -16.996 -23.801 -11.129 23 HB VAL 3 HB VAL 3 -19.247 -23.438 -9.113 24 HG11 VAL 3 HG11 VAL 3 -20.699 -24.434 -10.826 25 HG12 VAL 3 HG12 VAL 3 -19.342 -24.447 -11.951 26 HG13 VAL 3 HG13 VAL 3 -19.989 -22.915 -11.370 27 HG21 VAL 3 HG21 VAL 3 -17.920 -25.425 -8.632 28 HG22 VAL 3 HG22 VAL 3 -18.102 -25.963 -10.303 29 HG23 VAL 3 HG23 VAL 3 -19.513 -25.880 -9.247 30 H SER 4 H SER 4 -18.853 -21.527 -9.208 31 HA SER 4 HA SER 4 -18.527 -19.525 -11.271 32 HB2 SER 4 HB2 SER 4 -20.001 -19.458 -8.616 33 HB3 SER 4 HB3 SER 4 -20.089 -18.230 -9.881 34 HG SER 4 HG SER 4 -20.622 -20.314 -11.168 35 H LEU 5 H LEU 5 -16.705 -18.402 -11.204 36 HA LEU 5 HA LEU 5 -14.993 -18.583 -8.956 37 HB2 LEU 5 HB2 LEU 5 -14.730 -17.000 -11.489 38 HB3 LEU 5 HB3 LEU 5 -13.475 -17.186 -10.280 39 HG LEU 5 HG LEU 5 -14.649 -19.407 -11.953 40 HD11 LEU 5 HD11 LEU 5 -13.237 -17.903 -13.235 41 HD12 LEU 5 HD12 LEU 5 -12.450 -19.462 -12.998 42 HD13 LEU 5 HD13 LEU 5 -11.953 -18.071 -12.036 43 HD21 LEU 5 HD21 LEU 5 -12.408 -19.447 -9.925 44 HD22 LEU 5 HD22 LEU 5 -12.862 -20.783 -10.976 45 HD23 LEU 5 HD23 LEU 5 -13.984 -20.215 -9.743 46 H SER 6 H SER 6 -15.431 -17.519 -7.199 47 HA SER 6 HA SER 6 -16.623 -14.972 -7.046 48 HB2 SER 6 HB2 SER 6 -14.825 -16.408 -5.076 49 HB3 SER 6 HB3 SER 6 -15.871 -15.036 -4.699 50 HG SER 6 HG SER 6 -17.340 -16.854 -5.928 51 H TYR 7 H TYR 7 -15.345 -13.047 -6.052 52 HA TYR 7 HA TYR 7 -13.359 -12.514 -7.982 53 HB2 TYR 7 HB2 TYR 7 -14.248 -10.812 -5.651 54 HB3 TYR 7 HB3 TYR 7 -13.271 -10.259 -7.014 55 HD1 TYR 7 HD1 TYR 7 -14.337 -10.770 -9.393 56 HD2 TYR 7 HD2 TYR 7 -16.549 -10.459 -5.774 57 HE1 TYR 7 HE1 TYR 7 -16.384 -10.331 -10.678 58 HE2 TYR 7 HE2 TYR 7 -18.592 -10.024 -7.047 59 HH TYR 7 HH TYR 7 -18.804 -10.528 -10.395 60 H ARG 8 H ARG 8 -11.416 -13.192 -7.908 61 HA ARG 8 HA ARG 8 -10.164 -13.717 -5.353 62 HB2 ARG 8 HB2 ARG 8 -8.412 -14.904 -6.663 63 HB3 ARG 8 HB3 ARG 8 -10.015 -15.561 -6.916 64 HG2 ARG 8 HG2 ARG 8 -10.147 -14.353 -9.055 65 HG3 ARG 8 HG3 ARG 8 -8.524 -13.728 -8.787 66 HD2 ARG 8 HD2 ARG 8 -7.635 -16.016 -8.772 67 HD3 ARG 8 HD3 ARG 8 -9.254 -16.659 -9.017 68 HE ARG 8 HE ARG 8 -8.721 -14.840 -11.048 69 HH11 ARG 8 HH11 ARG 8 -7.618 -18.037 -10.023 70 HH12 ARG 8 HH12 ARG 8 -7.134 -18.526 -11.589 71 HH21 ARG 8 HH21 ARG 8 -8.078 -15.545 -13.195 72 HH22 ARG 8 HH22 ARG 8 -7.415 -17.098 -13.412 73 H CYS 9 H CYS 9 -8.313 -12.698 -4.680 74 HA CYS 9 HA CYS 9 -7.570 -10.408 -6.320 75 HB2 CYS 9 HB2 CYS 9 -7.909 -10.434 -3.323 76 HB3 CYS 9 HB3 CYS 9 -7.477 -9.053 -4.324 77 HA PRO 10 HA PRO 10 -3.333 -11.722 -6.180 78 HB2 PRO 10 HB2 PRO 10 -3.020 -8.739 -5.721 79 HB3 PRO 10 HB3 PRO 10 -2.093 -9.825 -6.776 80 HG2 PRO 10 HG2 PRO 10 -3.969 -8.324 -7.792 81 HG3 PRO 10 HG3 PRO 10 -3.854 -10.029 -8.280 82 HD2 PRO 10 HD2 PRO 10 -5.808 -8.713 -6.448 83 HD3 PRO 10 HD3 PRO 10 -6.044 -10.029 -7.614 84 H CYS 11 H CYS 11 -4.423 -9.472 -3.621 85 HA CYS 11 HA CYS 11 -2.384 -10.634 -1.911 86 HB2 CYS 11 HB2 CYS 11 -3.882 -8.042 -1.702 87 HB3 CYS 11 HB3 CYS 11 -2.832 -8.669 -0.433 88 H ARG 12 H ARG 12 -3.115 -12.342 -0.933 89 HA ARG 12 HA ARG 12 -5.781 -12.441 0.228 90 HB2 ARG 12 HB2 ARG 12 -3.456 -14.352 0.341 91 HB3 ARG 12 HB3 ARG 12 -5.022 -14.665 1.065 92 HG2 ARG 12 HG2 ARG 12 -4.544 -14.222 -1.870 93 HG3 ARG 12 HG3 ARG 12 -4.671 -15.802 -1.100 94 HD2 ARG 12 HD2 ARG 12 -6.815 -13.678 -1.166 95 HD3 ARG 12 HD3 ARG 12 -6.771 -15.151 -2.130 96 HE ARG 12 HE ARG 12 -6.914 -15.189 0.813 97 HH11 ARG 12 HH11 ARG 12 -8.005 -16.405 -2.343 98 HH12 ARG 12 HH12 ARG 12 -9.111 -17.515 -1.684 99 HH21 ARG 12 HH21 ARG 12 -8.452 -16.725 1.701 100 HH22 ARG 12 HH22 ARG 12 -9.373 -17.691 0.657 101 H PHE 13 H PHE 13 -2.621 -11.508 1.066 102 HA PHE 13 HA PHE 13 -3.400 -11.236 3.849 103 HB2 PHE 13 HB2 PHE 13 -1.140 -11.909 4.562 104 HB3 PHE 13 HB3 PHE 13 -1.948 -13.218 3.720 105 HD1 PHE 13 HD1 PHE 13 -1.242 -13.758 1.360 106 HD2 PHE 13 HD2 PHE 13 0.911 -11.020 3.811 107 HE1 PHE 13 HE1 PHE 13 0.719 -13.983 -0.111 108 HE2 PHE 13 HE2 PHE 13 2.871 -11.235 2.339 109 HZ PHE 13 HZ PHE 13 2.775 -12.719 0.375 110 H PHE 14 H PHE 14 -2.838 -9.337 4.710 111 HA PHE 14 HA PHE 14 -0.984 -7.523 3.252 112 HB2 PHE 14 HB2 PHE 14 -3.445 -6.820 4.812 113 HB3 PHE 14 HB3 PHE 14 -2.395 -5.666 3.994 114 HD1 PHE 14 HD1 PHE 14 -5.104 -8.084 3.716 115 HD2 PHE 14 HD2 PHE 14 -2.611 -5.395 1.563 116 HE1 PHE 14 HE1 PHE 14 -6.639 -8.205 1.807 117 HE2 PHE 14 HE2 PHE 14 -4.135 -5.511 -0.341 118 HZ PHE 14 HZ PHE 14 -6.167 -6.923 -0.224 119 H GLU 15 H GLU 15 0.385 -6.468 4.579 120 HA GLU 15 HA GLU 15 0.610 -7.529 7.240 121 HB2 GLU 15 HB2 GLU 15 2.263 -5.501 5.743 122 HB3 GLU 15 HB3 GLU 15 2.634 -6.091 7.358 123 HG2 GLU 15 HG2 GLU 15 2.392 -7.743 4.916 124 HG3 GLU 15 HG3 GLU 15 3.927 -7.148 5.556 125 H SER 16 H SER 16 -0.252 -6.693 8.879 126 HA SER 16 HA SER 16 -1.538 -4.075 8.739 127 HB2 SER 16 HB2 SER 16 -1.641 -6.190 10.903 128 HB3 SER 16 HB3 SER 16 -2.680 -4.770 10.787 129 HG SER 16 HG SER 16 -3.694 -5.596 9.101 130 H HIS 17 H HIS 17 1.331 -5.403 9.656 131 HA HIS 17 HA HIS 17 1.970 -3.073 11.287 132 HB2 HIS 17 HB2 HIS 17 2.845 -5.922 11.792 133 HB3 HIS 17 HB3 HIS 17 3.661 -4.541 12.503 134 HD1 HIS 17 HD1 HIS 17 2.454 -3.317 14.383 135 HD2 HIS 17 HD2 HIS 17 0.316 -6.523 12.871 136 HE1 HIS 17 HE1 HIS 17 0.608 -3.709 16.018 137 HE2 HIS 17 HE2 HIS 17 -0.363 -5.872 15.280 138 H VAL 18 H VAL 18 2.918 -1.920 9.762 139 HA VAL 18 HA VAL 18 5.360 -3.037 8.656 140 HB VAL 18 HB VAL 18 3.505 -1.168 7.137 141 HG11 VAL 18 HG11 VAL 18 4.954 -1.629 5.199 142 HG12 VAL 18 HG12 VAL 18 5.998 -2.608 6.230 143 HG13 VAL 18 HG13 VAL 18 5.835 -0.876 6.529 144 HG21 VAL 18 HG21 VAL 18 2.476 -3.381 7.256 145 HG22 VAL 18 HG22 VAL 18 3.946 -4.125 6.654 146 HG23 VAL 18 HG23 VAL 18 3.022 -3.048 5.617 147 H ALA 19 H ALA 19 7.066 -1.432 8.523 148 HA ALA 19 HA ALA 19 6.431 0.992 10.001 149 HB1 ALA 19 HB1 ALA 19 8.831 1.026 10.576 150 HB2 ALA 19 HB2 ALA 19 9.051 -0.470 9.668 151 HB3 ALA 19 HB3 ALA 19 8.052 -0.464 11.118 152 H ARG 20 H ARG 20 6.896 2.883 9.114 153 HA ARG 20 HA ARG 20 7.045 3.248 6.334 154 HB2 ARG 20 HB2 ARG 20 6.157 4.883 7.894 155 HB3 ARG 20 HB3 ARG 20 7.723 5.078 8.631 156 HG2 ARG 20 HG2 ARG 20 7.271 6.984 7.278 157 HG3 ARG 20 HG3 ARG 20 8.535 6.044 6.493 158 HD2 ARG 20 HD2 ARG 20 7.034 5.211 4.872 159 HD3 ARG 20 HD3 ARG 20 5.631 5.796 5.773 160 HE ARG 20 HE ARG 20 7.562 7.442 4.308 161 HH11 ARG 20 HH11 ARG 20 4.359 7.031 5.799 162 HH12 ARG 20 HH12 ARG 20 3.808 8.579 5.430 163 HH21 ARG 20 HH21 ARG 20 6.790 9.570 3.732 164 HH22 ARG 20 HH22 ARG 20 5.216 10.072 4.191 165 H ALA 21 H ALA 21 9.471 3.016 8.792 166 HA ALA 21 HA ALA 21 11.630 3.891 7.117 167 HB1 ALA 21 HB1 ALA 21 11.587 4.410 9.504 168 HB2 ALA 21 HB2 ALA 21 13.043 3.532 9.035 169 HB3 ALA 21 HB3 ALA 21 11.739 2.693 9.873 170 H ASN 22 H ASN 22 10.073 0.779 7.448 171 HA ASN 22 HA ASN 22 12.617 -0.524 6.942 172 HB2 ASN 22 HB2 ASN 22 11.795 -2.385 7.998 173 HB3 ASN 22 HB3 ASN 22 10.831 -1.177 8.787 174 HD21 ASN 22 HD21 ASN 22 10.881 -3.903 6.849 175 HD22 ASN 22 HD22 ASN 22 9.170 -4.109 6.703 176 H VAL 23 H VAL 23 9.967 0.635 5.328 177 HA VAL 23 HA VAL 23 10.086 -1.349 3.210 178 HB VAL 23 HB VAL 23 7.862 -0.654 3.979 179 HG11 VAL 23 HG11 VAL 23 8.315 1.603 4.700 180 HG12 VAL 23 HG12 VAL 23 6.986 1.594 3.542 181 HG13 VAL 23 HG13 VAL 23 8.595 2.106 3.035 182 HG21 VAL 23 HG21 VAL 23 8.452 0.284 1.180 183 HG22 VAL 23 HG22 VAL 23 6.855 -0.109 1.818 184 HG23 VAL 23 HG23 VAL 23 8.085 -1.369 1.679 185 H LYS 24 H LYS 24 10.816 -0.912 1.130 186 HA LYS 24 HA LYS 24 12.439 1.547 0.798 187 HB2 LYS 24 HB2 LYS 24 13.473 0.439 -1.066 188 HB3 LYS 24 HB3 LYS 24 13.608 -0.559 0.369 189 HG2 LYS 24 HG2 LYS 24 12.073 -2.129 -0.400 190 HG3 LYS 24 HG3 LYS 24 11.368 -1.017 -1.558 191 HD2 LYS 24 HD2 LYS 24 14.106 -2.295 -1.768 192 HD3 LYS 24 HD3 LYS 24 12.634 -2.735 -2.657 193 HE2 LYS 24 HE2 LYS 24 12.523 -0.480 -3.566 194 HE3 LYS 24 HE3 LYS 24 13.995 -0.063 -2.810 195 HZ1 LYS 24 HZ1 LYS 24 14.415 -0.725 -5.108 196 HZ2 LYS 24 HZ2 LYS 24 13.813 -2.271 -4.789 197 HZ3 LYS 24 HZ3 LYS 24 15.197 -1.735 -4.017 198 H HIS 25 H HIS 25 9.756 -0.154 -0.587 199 HA HIS 25 HA HIS 25 9.255 2.040 -2.412 200 HB2 HIS 25 HB2 HIS 25 10.892 0.839 -3.653 201 HB3 HIS 25 HB3 HIS 25 10.161 -0.692 -3.252 202 HD1 HIS 25 HD1 HIS 25 8.716 2.396 -5.023 203 HD2 HIS 25 HD2 HIS 25 9.274 -1.661 -5.426 204 HE1 HIS 25 HE1 HIS 25 7.559 1.822 -7.177 205 HE2 HIS 25 HE2 HIS 25 8.155 -0.580 -7.564 206 H LEU 26 H LEU 26 7.173 2.295 -2.649 207 HA LEU 26 HA LEU 26 5.326 0.149 -1.896 208 HB2 LEU 26 HB2 LEU 26 4.951 3.121 -2.151 209 HB3 LEU 26 HB3 LEU 26 3.704 1.999 -1.659 210 HG LEU 26 HG LEU 26 6.217 2.611 -0.084 211 HD11 LEU 26 HD11 LEU 26 4.708 3.755 1.457 212 HD12 LEU 26 HD12 LEU 26 3.358 3.455 0.365 213 HD13 LEU 26 HD13 LEU 26 4.683 4.509 -0.136 214 HD21 LEU 26 HD21 LEU 26 5.398 0.360 0.290 215 HD22 LEU 26 HD22 LEU 26 3.779 0.989 0.595 216 HD23 LEU 26 HD23 LEU 26 5.096 1.376 1.702 217 H LYS 27 H LYS 27 3.778 -0.432 -3.400 218 HA LYS 27 HA LYS 27 3.405 1.152 -5.807 219 HB2 LYS 27 HB2 LYS 27 5.203 -0.863 -5.988 220 HB3 LYS 27 HB3 LYS 27 3.778 -1.810 -6.106 221 HG2 LYS 27 HG2 LYS 27 4.478 0.450 -7.980 222 HG3 LYS 27 HG3 LYS 27 4.662 -1.265 -8.312 223 HD2 LYS 27 HD2 LYS 27 2.046 0.141 -7.772 224 HD3 LYS 27 HD3 LYS 27 2.665 -0.278 -9.369 225 HE2 LYS 27 HE2 LYS 27 2.660 -2.641 -8.731 226 HE3 LYS 27 HE3 LYS 27 2.032 -2.187 -7.148 227 HZ1 LYS 27 HZ1 LYS 27 0.246 -2.924 -8.645 228 HZ2 LYS 27 HZ2 LYS 27 0.655 -1.740 -9.748 229 HZ3 LYS 27 HZ3 LYS 27 0.023 -1.288 -8.262 230 H ILE 28 H ILE 28 1.263 1.414 -5.549 231 HA ILE 28 HA ILE 28 -0.172 -0.681 -4.178 232 HB ILE 28 HB ILE 28 -1.297 2.035 -4.991 233 HG12 ILE 28 HG12 ILE 28 -0.153 1.058 -2.381 234 HG13 ILE 28 HG13 ILE 28 0.597 2.254 -3.427 235 HG21 ILE 28 HG21 ILE 28 -3.006 0.286 -4.580 236 HG22 ILE 28 HG22 ILE 28 -3.017 1.509 -3.298 237 HG23 ILE 28 HG23 ILE 28 -2.256 -0.051 -3.018 238 HD11 ILE 28 HD11 ILE 28 -0.433 3.313 -1.518 239 HD12 ILE 28 HD12 ILE 28 -1.957 2.527 -1.847 240 HD13 ILE 28 HD13 ILE 28 -1.344 3.765 -2.965 241 H LEU 29 H LEU 29 -1.745 -1.947 -4.953 242 HA LEU 29 HA LEU 29 -2.200 -1.939 -7.832 243 HB2 LEU 29 HB2 LEU 29 -0.927 -3.862 -7.146 244 HB3 LEU 29 HB3 LEU 29 -2.013 -4.170 -5.811 245 HG LEU 29 HG LEU 29 -3.738 -4.958 -7.303 246 HD11 LEU 29 HD11 LEU 29 -3.371 -3.428 -9.188 247 HD12 LEU 29 HD12 LEU 29 -3.348 -5.104 -9.741 248 HD13 LEU 29 HD13 LEU 29 -1.834 -4.220 -9.538 249 HD21 LEU 29 HD21 LEU 29 -1.038 -6.097 -7.979 250 HD22 LEU 29 HD22 LEU 29 -2.587 -6.881 -8.284 251 HD23 LEU 29 HD23 LEU 29 -2.072 -6.552 -6.629 252 H ASN 30 H ASN 30 -4.120 -1.092 -8.162 253 HA ASN 30 HA ASN 30 -6.253 -1.496 -6.227 254 HB2 ASN 30 HB2 ASN 30 -7.496 0.192 -7.536 255 HB3 ASN 30 HB3 ASN 30 -5.919 0.793 -7.063 256 HD21 ASN 30 HD21 ASN 30 -7.913 -0.210 -9.685 257 HD22 ASN 30 HD22 ASN 30 -6.920 0.355 -10.963 258 H THR 31 H THR 31 -7.899 -2.933 -6.545 259 HA THR 31 HA THR 31 -8.092 -4.015 -9.230 260 HB THR 31 HB THR 31 -8.686 -5.450 -6.635 261 HG1 THR 31 HG1 THR 31 -6.530 -5.645 -8.502 262 HG21 THR 31 HG21 THR 31 -8.908 -7.460 -8.064 263 HG22 THR 31 HG22 THR 31 -8.648 -6.447 -9.487 264 HG23 THR 31 HG23 THR 31 -10.089 -6.220 -8.502 265 HA PRO 32 HA PRO 32 -11.817 -1.822 -10.092 266 HB2 PRO 32 HB2 PRO 32 -12.352 -4.668 -10.681 267 HB3 PRO 32 HB3 PRO 32 -13.015 -3.312 -11.563 268 HG2 PRO 32 HG2 PRO 32 -10.820 -4.419 -12.469 269 HG3 PRO 32 HG3 PRO 32 -10.803 -2.652 -12.298 270 HD2 PRO 32 HD2 PRO 32 -9.388 -4.702 -10.680 271 HD3 PRO 32 HD3 PRO 32 -8.989 -2.987 -10.897 272 H ASN 33 H ASN 33 -12.156 -4.615 -7.899 273 HA ASN 33 HA ASN 33 -14.640 -3.649 -6.927 274 HB2 ASN 33 HB2 ASN 33 -16.054 -5.435 -7.848 275 HB3 ASN 33 HB3 ASN 33 -15.373 -4.438 -9.119 276 HD21 ASN 33 HD21 ASN 33 -16.424 -6.872 -9.528 277 HD22 ASN 33 HD22 ASN 33 -15.217 -8.003 -10.047 278 H CYS 34 H CYS 34 -12.061 -4.549 -6.167 279 HA CYS 34 HA CYS 34 -12.813 -6.790 -4.441 280 HB2 CYS 34 HB2 CYS 34 -11.010 -7.485 -5.980 281 HB3 CYS 34 HB3 CYS 34 -10.117 -6.055 -5.527 282 H ALA 35 H ALA 35 -10.330 -4.294 -4.694 283 HA ALA 35 HA ALA 35 -10.950 -2.788 -2.475 284 HB1 ALA 35 HB1 ALA 35 -9.173 -5.125 -2.046 285 HB2 ALA 35 HB2 ALA 35 -10.717 -4.823 -1.267 286 HB3 ALA 35 HB3 ALA 35 -9.318 -3.774 -0.881 287 H LEU 36 H LEU 36 -8.690 -1.763 -1.634 288 HA LEU 36 HA LEU 36 -7.033 -1.363 -3.900 289 HB2 LEU 36 HB2 LEU 36 -8.119 0.533 -2.771 290 HB3 LEU 36 HB3 LEU 36 -7.436 0.008 -1.246 291 HG LEU 36 HG LEU 36 -5.317 0.241 -2.142 292 HD11 LEU 36 HD11 LEU 36 -6.757 1.601 -4.464 293 HD12 LEU 36 HD12 LEU 36 -5.714 0.177 -4.562 294 HD13 LEU 36 HD13 LEU 36 -5.020 1.755 -4.217 295 HD21 LEU 36 HD21 LEU 36 -5.220 2.752 -1.988 296 HD22 LEU 36 HD22 LEU 36 -6.160 1.954 -0.726 297 HD23 LEU 36 HD23 LEU 36 -6.983 2.743 -2.072 298 H GLN 37 H GLN 37 -5.189 -2.611 -3.843 299 HA GLN 37 HA GLN 37 -4.357 -3.759 -1.273 300 HB2 GLN 37 HB2 GLN 37 -4.023 -4.776 -4.099 301 HB3 GLN 37 HB3 GLN 37 -3.492 -5.611 -2.643 302 HG2 GLN 37 HG2 GLN 37 -5.746 -5.933 -1.919 303 HG3 GLN 37 HG3 GLN 37 -6.357 -4.885 -3.190 304 HE21 GLN 37 HE21 GLN 37 -6.434 -5.633 -5.272 305 HE22 GLN 37 HE22 GLN 37 -6.344 -7.284 -5.667 306 H ILE 38 H ILE 38 -2.330 -3.147 -0.623 307 HA ILE 38 HA ILE 38 -0.768 -1.570 -2.531 308 HB ILE 38 HB ILE 38 -0.555 -1.921 0.429 309 HG12 ILE 38 HG12 ILE 38 -1.571 0.462 -1.110 310 HG13 ILE 38 HG13 ILE 38 -2.576 -0.735 -0.300 311 HG21 ILE 38 HG21 ILE 38 1.631 -1.371 -0.425 312 HG22 ILE 38 HG22 ILE 38 0.991 0.070 0.350 313 HG23 ILE 38 HG23 ILE 38 1.007 -0.072 -1.417 314 HD11 ILE 38 HD11 ILE 38 -1.724 -0.088 1.826 315 HD12 ILE 38 HD12 ILE 38 -2.289 1.336 0.918 316 HD13 ILE 38 HD13 ILE 38 -0.563 1.020 1.040 317 H VAL 39 H VAL 39 1.297 -2.279 -3.152 318 HA VAL 39 HA VAL 39 2.272 -4.758 -1.913 319 HB VAL 39 HB VAL 39 2.664 -3.744 -4.761 320 HG11 VAL 39 HG11 VAL 39 4.617 -4.908 -4.008 321 HG12 VAL 39 HG12 VAL 39 3.766 -5.886 -5.203 322 HG13 VAL 39 HG13 VAL 39 3.652 -6.288 -3.483 323 HG21 VAL 39 HG21 VAL 39 1.352 -5.698 -5.466 324 HG22 VAL 39 HG22 VAL 39 0.409 -4.613 -4.448 325 HG23 VAL 39 HG23 VAL 39 1.063 -6.108 -3.776 326 H ALA 40 H ALA 40 4.255 -4.613 -1.039 327 HA ALA 40 HA ALA 40 5.923 -2.340 -1.807 328 HB1 ALA 40 HB1 ALA 40 6.277 -1.722 0.485 329 HB2 ALA 40 HB2 ALA 40 5.151 -2.975 1.010 330 HB3 ALA 40 HB3 ALA 40 4.566 -1.619 0.054 331 H ARG 41 H ARG 41 8.093 -2.729 -1.615 332 HA ARG 41 HA ARG 41 8.807 -5.223 -0.403 333 HB2 ARG 41 HB2 ARG 41 9.778 -3.866 -2.766 334 HB3 ARG 41 HB3 ARG 41 11.068 -4.503 -1.757 335 HG2 ARG 41 HG2 ARG 41 10.069 -6.623 -1.727 336 HG3 ARG 41 HG3 ARG 41 8.671 -6.122 -2.616 337 HD2 ARG 41 HD2 ARG 41 11.519 -6.262 -3.513 338 HD3 ARG 41 HD3 ARG 41 10.140 -7.327 -3.936 339 HE ARG 41 HE ARG 41 9.472 -4.792 -4.732 340 HH11 ARG 41 HH11 ARG 41 11.990 -7.177 -5.542 341 HH12 ARG 41 HH12 ARG 41 12.118 -6.701 -7.165 342 HH21 ARG 41 HH21 ARG 41 9.675 -4.138 -7.009 343 HH22 ARG 41 HH22 ARG 41 10.782 -4.938 -8.015 344 H LEU 42 H LEU 42 10.448 -5.384 0.920 345 HA LEU 42 HA LEU 42 10.892 -3.032 2.625 346 HB2 LEU 42 HB2 LEU 42 11.992 -5.776 3.126 347 HB3 LEU 42 HB3 LEU 42 11.694 -4.494 4.223 348 HG LEU 42 HG LEU 42 9.444 -5.944 2.849 349 HD11 LEU 42 HD11 LEU 42 10.425 -6.136 5.673 350 HD12 LEU 42 HD12 LEU 42 10.514 -7.390 4.431 351 HD13 LEU 42 HD13 LEU 42 8.948 -6.866 5.041 352 HD21 LEU 42 HD21 LEU 42 9.437 -3.790 4.980 353 HD22 LEU 42 HD22 LEU 42 8.016 -4.697 4.447 354 HD23 LEU 42 HD23 LEU 42 8.864 -3.640 3.322 355 H LYS 43 H LYS 43 12.954 -2.532 3.455 356 HA LYS 43 HA LYS 43 14.773 -2.125 1.322 357 HB2 LYS 43 HB2 LYS 43 15.096 -1.591 4.273 358 HB3 LYS 43 HB3 LYS 43 16.173 -1.020 3.005 359 HG2 LYS 43 HG2 LYS 43 14.394 0.304 2.042 360 HG3 LYS 43 HG3 LYS 43 13.253 -0.313 3.235 361 HD2 LYS 43 HD2 LYS 43 14.013 1.913 3.825 362 HD3 LYS 43 HD3 LYS 43 14.579 0.742 5.013 363 HE2 LYS 43 HE2 LYS 43 16.778 0.723 3.971 364 HE3 LYS 43 HE3 LYS 43 16.215 1.832 2.722 365 HZ1 LYS 43 HZ1 LYS 43 15.866 3.506 4.455 366 HZ2 LYS 43 HZ2 LYS 43 17.451 2.975 4.473 367 HZ3 LYS 43 HZ3 LYS 43 16.381 2.419 5.634 368 H ASN 44 H ASN 44 15.398 -3.651 4.446 369 HA ASN 44 HA ASN 44 17.812 -4.848 3.296 370 HB2 ASN 44 HB2 ASN 44 17.953 -3.895 5.566 371 HB3 ASN 44 HB3 ASN 44 16.783 -5.083 6.133 372 HD21 ASN 44 HD21 ASN 44 18.213 -6.004 7.603 373 HD22 ASN 44 HD22 ASN 44 19.561 -6.962 7.117 374 H ASN 45 H ASN 45 14.759 -5.834 4.548 375 HA ASN 45 HA ASN 45 15.362 -8.629 4.361 376 HB2 ASN 45 HB2 ASN 45 13.790 -7.725 6.052 377 HB3 ASN 45 HB3 ASN 45 12.689 -7.257 4.765 378 HD21 ASN 45 HD21 ASN 45 11.100 -8.528 5.779 379 HD22 ASN 45 HD22 ASN 45 11.095 -10.240 5.652 380 H ASN 46 H ASN 46 14.002 -6.215 2.315 381 HA ASN 46 HA ASN 46 13.538 -6.112 0.093 382 HB2 ASN 46 HB2 ASN 46 15.826 -7.099 0.004 383 HB3 ASN 46 HB3 ASN 46 15.106 -8.700 -0.031 384 HD21 ASN 46 HD21 ASN 46 16.039 -9.201 -1.977 385 HD22 ASN 46 HD22 ASN 46 15.507 -8.509 -3.477 386 H ARG 47 H ARG 47 11.887 -8.114 1.964 387 HA ARG 47 HA ARG 47 10.682 -9.816 0.013 388 HB2 ARG 47 HB2 ARG 47 9.904 -9.124 2.820 389 HB3 ARG 47 HB3 ARG 47 8.992 -10.217 1.818 390 HG2 ARG 47 HG2 ARG 47 11.025 -11.640 1.660 391 HG3 ARG 47 HG3 ARG 47 11.787 -10.568 2.845 392 HD2 ARG 47 HD2 ARG 47 10.816 -12.455 4.018 393 HD3 ARG 47 HD3 ARG 47 9.934 -10.970 4.369 394 HE ARG 47 HE ARG 47 8.763 -12.408 2.201 395 HH11 ARG 47 HH11 ARG 47 8.824 -12.221 5.731 396 HH12 ARG 47 HH12 ARG 47 7.305 -12.950 5.928 397 HH21 ARG 47 HH21 ARG 47 6.701 -13.353 2.463 398 HH22 ARG 47 HH22 ARG 47 6.045 -13.609 4.023 399 H GLN 48 H GLN 48 8.764 -9.757 -0.819 400 HA GLN 48 HA GLN 48 7.653 -7.086 -1.109 401 HB2 GLN 48 HB2 GLN 48 8.496 -8.425 -3.066 402 HB3 GLN 48 HB3 GLN 48 7.235 -9.591 -2.726 403 HG2 GLN 48 HG2 GLN 48 5.593 -7.777 -3.018 404 HG3 GLN 48 HG3 GLN 48 6.928 -6.749 -3.477 405 HE21 GLN 48 HE21 GLN 48 5.088 -9.544 -4.465 406 HE22 GLN 48 HE22 GLN 48 5.609 -9.536 -6.108 407 H VAL 49 H VAL 49 5.856 -6.756 0.035 408 HA VAL 49 HA VAL 49 4.069 -9.005 0.591 409 HB VAL 49 HB VAL 49 3.697 -8.154 2.899 410 HG11 VAL 49 HG11 VAL 49 5.781 -8.973 3.905 411 HG12 VAL 49 HG12 VAL 49 6.573 -8.871 2.332 412 HG13 VAL 49 HG13 VAL 49 5.246 -10.005 2.581 413 HG21 VAL 49 HG21 VAL 49 4.384 -5.831 2.580 414 HG22 VAL 49 HG22 VAL 49 6.051 -6.345 2.319 415 HG23 VAL 49 HG23 VAL 49 5.297 -6.566 3.897 416 H CYS 50 H CYS 50 1.932 -8.158 1.419 417 HA CYS 50 HA CYS 50 1.249 -5.831 -0.170 418 HB2 CYS 50 HB2 CYS 50 -0.670 -7.728 1.220 419 HB3 CYS 50 HB3 CYS 50 -1.013 -6.501 0.046 420 H ILE 51 H ILE 51 0.377 -4.074 0.703 421 HA ILE 51 HA ILE 51 0.433 -3.957 3.613 422 HB ILE 51 HB ILE 51 0.934 -1.667 1.674 423 HG12 ILE 51 HG12 ILE 51 2.638 -3.296 3.479 424 HG13 ILE 51 HG13 ILE 51 2.798 -3.097 1.760 425 HG21 ILE 51 HG21 ILE 51 -0.252 -0.876 3.692 426 HG22 ILE 51 HG22 ILE 51 1.414 -0.312 3.652 427 HG23 ILE 51 HG23 ILE 51 0.970 -1.667 4.684 428 HD11 ILE 51 HD11 ILE 51 3.426 -0.744 2.027 429 HD12 ILE 51 HD12 ILE 51 4.539 -1.804 2.893 430 HD13 ILE 51 HD13 ILE 51 3.303 -0.909 3.778 431 H ASP 52 H ASP 52 -1.152 -3.112 4.674 432 HA ASP 52 HA ASP 52 -3.712 -3.082 3.455 433 HB2 ASP 52 HB2 ASP 52 -3.382 -4.075 5.440 434 HB3 ASP 52 HB3 ASP 52 -2.661 -2.675 6.228 435 HA PRO 53 HA PRO 53 -3.508 1.258 2.544 436 HB2 PRO 53 HB2 PRO 53 -6.098 1.605 1.822 437 HB3 PRO 53 HB3 PRO 53 -4.899 0.821 0.787 438 HG2 PRO 53 HG2 PRO 53 -6.957 -0.417 2.568 439 HG3 PRO 53 HG3 PRO 53 -6.477 -0.869 0.914 440 HD2 PRO 53 HD2 PRO 53 -5.612 -2.172 3.118 441 HD3 PRO 53 HD3 PRO 53 -4.623 -2.017 1.647 442 H LYS 54 H LYS 54 -5.519 -0.059 5.073 443 HA LYS 54 HA LYS 54 -6.254 2.644 5.743 444 HB2 LYS 54 HB2 LYS 54 -7.820 1.697 7.438 445 HB3 LYS 54 HB3 LYS 54 -8.218 1.230 5.788 446 HG2 LYS 54 HG2 LYS 54 -8.596 -0.691 7.024 447 HG3 LYS 54 HG3 LYS 54 -6.941 -0.910 6.436 448 HD2 LYS 54 HD2 LYS 54 -6.957 -1.524 8.770 449 HD3 LYS 54 HD3 LYS 54 -6.136 0.035 8.548 450 HE2 LYS 54 HE2 LYS 54 -8.085 1.240 9.324 451 HE3 LYS 54 HE3 LYS 54 -8.994 -0.265 9.434 452 HZ1 LYS 54 HZ1 LYS 54 -8.226 0.429 11.581 453 HZ2 LYS 54 HZ2 LYS 54 -6.627 0.473 11.081 454 HZ3 LYS 54 HZ3 LYS 54 -7.445 -1.001 11.164 455 H LEU 55 H LEU 55 -3.645 0.953 6.237 456 HA LEU 55 HA LEU 55 -3.007 1.307 8.922 457 HB2 LEU 55 HB2 LEU 55 -1.429 1.398 6.410 458 HB3 LEU 55 HB3 LEU 55 -0.609 1.788 7.879 459 HG LEU 55 HG LEU 55 -1.949 -0.862 7.214 460 HD11 LEU 55 HD11 LEU 55 0.957 -0.105 7.498 461 HD12 LEU 55 HD12 LEU 55 0.116 -0.377 5.977 462 HD13 LEU 55 HD13 LEU 55 0.326 -1.709 7.115 463 HD21 LEU 55 HD21 LEU 55 -2.001 -0.368 9.640 464 HD22 LEU 55 HD22 LEU 55 -0.256 -0.086 9.567 465 HD23 LEU 55 HD23 LEU 55 -0.892 -1.682 9.234 466 H LYS 56 H LYS 56 -2.283 2.984 10.060 467 HA LYS 56 HA LYS 56 -3.384 5.492 9.364 468 HB2 LYS 56 HB2 LYS 56 -3.287 4.712 11.680 469 HB3 LYS 56 HB3 LYS 56 -1.538 4.793 11.652 470 HG2 LYS 56 HG2 LYS 56 -1.649 7.213 11.367 471 HG3 LYS 56 HG3 LYS 56 -3.411 7.136 11.378 472 HD2 LYS 56 HD2 LYS 56 -3.337 6.175 13.645 473 HD3 LYS 56 HD3 LYS 56 -1.578 6.294 13.612 474 HE2 LYS 56 HE2 LYS 56 -1.723 8.710 13.401 475 HE3 LYS 56 HE3 LYS 56 -3.484 8.609 13.386 476 HZ1 LYS 56 HZ1 LYS 56 -1.744 7.758 15.636 477 HZ2 LYS 56 HZ2 LYS 56 -3.425 7.714 15.614 478 HZ3 LYS 56 HZ3 LYS 56 -2.619 9.196 15.573 479 H TRP 57 H TRP 57 -0.064 4.272 9.352 480 HA TRP 57 HA TRP 57 0.929 6.860 8.627 481 HB2 TRP 57 HB2 TRP 57 3.126 5.860 8.340 482 HB3 TRP 57 HB3 TRP 57 2.403 5.229 9.809 483 HD1 TRP 57 HD1 TRP 57 1.873 2.593 9.843 484 HE1 TRP 57 HE1 TRP 57 2.658 0.674 8.359 485 HE3 TRP 57 HE3 TRP 57 3.703 5.306 5.972 486 HZ2 TRP 57 HZ2 TRP 57 3.918 0.345 5.830 487 HZ3 TRP 57 HZ3 TRP 57 4.697 4.147 4.066 488 HH2 TRP 57 HH2 TRP 57 4.790 1.708 3.981 489 H ILE 58 H ILE 58 -0.485 4.272 6.946 490 HA ILE 58 HA ILE 58 0.508 5.031 4.365 491 HB ILE 58 HB ILE 58 -1.742 3.169 5.182 492 HG12 ILE 58 HG12 ILE 58 0.570 2.337 5.505 493 HG13 ILE 58 HG13 ILE 58 -0.267 1.383 4.304 494 HG21 ILE 58 HG21 ILE 58 -2.001 2.575 2.854 495 HG22 ILE 58 HG22 ILE 58 -0.764 3.780 2.435 496 HG23 ILE 58 HG23 ILE 58 -2.306 4.317 3.106 497 HD11 ILE 58 HD11 ILE 58 1.969 1.809 3.588 498 HD12 ILE 58 HD12 ILE 58 1.749 3.546 3.744 499 HD13 ILE 58 HD13 ILE 58 0.841 2.650 2.526 500 H GLN 59 H GLN 59 -2.383 5.586 6.261 501 HA GLN 59 HA GLN 59 -3.780 7.053 4.367 502 HB2 GLN 59 HB2 GLN 59 -3.760 7.300 7.373 503 HB3 GLN 59 HB3 GLN 59 -4.860 8.206 6.346 504 HG2 GLN 59 HG2 GLN 59 -4.692 5.195 6.445 505 HG3 GLN 59 HG3 GLN 59 -5.886 6.168 7.302 506 HE21 GLN 59 HE21 GLN 59 -4.854 4.991 4.193 507 HE22 GLN 59 HE22 GLN 59 -6.261 5.444 3.317 508 H GLU 60 H GLU 60 -1.384 8.211 6.742 509 HA GLU 60 HA GLU 60 -1.549 10.832 5.778 510 HB2 GLU 60 HB2 GLU 60 0.480 11.298 7.085 511 HB3 GLU 60 HB3 GLU 60 -0.757 10.482 8.007 512 HG2 GLU 60 HG2 GLU 60 0.898 9.272 8.697 513 HG3 GLU 60 HG3 GLU 60 0.713 8.401 7.175 514 H TYR 61 H TYR 61 0.358 8.120 4.788 515 HA TYR 61 HA TYR 61 2.120 9.285 2.965 516 HB2 TYR 61 HB2 TYR 61 2.262 6.867 3.382 517 HB3 TYR 61 HB3 TYR 61 0.613 6.668 2.936 518 HD1 TYR 61 HD1 TYR 61 3.740 7.945 1.299 519 HD2 TYR 61 HD2 TYR 61 0.125 5.734 0.966 520 HE1 TYR 61 HE1 TYR 61 4.299 7.375 -1.027 521 HE2 TYR 61 HE2 TYR 61 0.629 5.162 -1.317 522 HH TYR 61 HH TYR 61 3.766 5.705 -2.614 523 H LEU 62 H LEU 62 -1.193 8.300 2.633 524 HA LEU 62 HA LEU 62 -1.423 9.193 -0.033 525 HB2 LEU 62 HB2 LEU 62 -3.332 8.093 1.936 526 HB3 LEU 62 HB3 LEU 62 -3.814 8.594 0.307 527 HG LEU 62 HG LEU 62 -1.486 6.768 0.668 528 HD11 LEU 62 HD11 LEU 62 -2.884 4.935 0.318 529 HD12 LEU 62 HD12 LEU 62 -4.350 5.982 0.506 530 HD13 LEU 62 HD13 LEU 62 -3.162 5.765 1.847 531 HD21 LEU 62 HD21 LEU 62 -1.805 7.772 -1.511 532 HD22 LEU 62 HD22 LEU 62 -3.468 7.181 -1.544 533 HD23 LEU 62 HD23 LEU 62 -2.125 6.039 -1.564 534 H GLU 63 H GLU 63 -2.486 10.536 3.030 535 HA GLU 63 HA GLU 63 -3.637 12.865 1.870 536 HB2 GLU 63 HB2 GLU 63 -2.220 12.578 4.518 537 HB3 GLU 63 HB3 GLU 63 -2.660 14.170 3.944 538 HG2 GLU 63 HG2 GLU 63 -4.318 13.430 5.484 539 HG3 GLU 63 HG3 GLU 63 -5.028 13.447 3.883 540 H LYS 64 H LYS 64 -0.315 12.161 2.600 541 HA LYS 64 HA LYS 64 0.988 14.447 1.747 542 HB2 LYS 64 HB2 LYS 64 2.236 12.758 2.792 543 HB3 LYS 64 HB3 LYS 64 1.703 11.538 1.652 544 HG2 LYS 64 HG2 LYS 64 3.043 12.387 -0.028 545 HG3 LYS 64 HG3 LYS 64 3.400 13.853 0.860 546 HD2 LYS 64 HD2 LYS 64 4.537 12.462 2.566 547 HD3 LYS 64 HD3 LYS 64 4.184 11.022 1.610 548 HE2 LYS 64 HE2 LYS 64 6.487 11.695 1.239 549 HE3 LYS 64 HE3 LYS 64 5.557 11.967 -0.229 550 HZ1 LYS 64 HZ1 LYS 64 6.278 14.047 1.762 551 HZ2 LYS 64 HZ2 LYS 64 5.452 14.341 0.325 552 HZ3 LYS 64 HZ3 LYS 64 7.054 13.814 0.308 553 H ALA 65 H ALA 65 0.634 11.595 -0.139 554 HA ALA 65 HA ALA 65 1.189 12.579 -2.695 555 HB1 ALA 65 HB1 ALA 65 0.094 10.620 -3.605 556 HB2 ALA 65 HB2 ALA 65 -0.737 10.357 -2.079 557 HB3 ALA 65 HB3 ALA 65 1.023 10.178 -2.164 558 H LEU 66 H LEU 66 -1.841 12.727 -0.950 559 HA LEU 66 HA LEU 66 -3.357 13.517 -3.186 560 HB2 LEU 66 HB2 LEU 66 -3.863 13.485 -0.270 561 HB3 LEU 66 HB3 LEU 66 -5.076 14.212 -1.345 562 HG LEU 66 HG LEU 66 -4.107 11.353 -1.211 563 HD11 LEU 66 HD11 LEU 66 -6.783 12.583 -0.613 564 HD12 LEU 66 HD12 LEU 66 -5.632 11.950 0.566 565 HD13 LEU 66 HD13 LEU 66 -6.411 10.860 -0.579 566 HD21 LEU 66 HD21 LEU 66 -6.072 12.619 -3.114 567 HD22 LEU 66 HD22 LEU 66 -5.819 10.887 -2.921 568 HD23 LEU 66 HD23 LEU 66 -4.514 11.901 -3.533 569 H ASN 67 H ASN 67 -1.684 15.314 -0.665 570 HA ASN 67 HA ASN 67 -2.580 17.862 -1.712 571 HB2 ASN 67 HB2 ASN 67 -0.462 17.164 0.325 572 HB3 ASN 67 HB3 ASN 67 -0.714 18.810 -0.235 573 HD21 ASN 67 HD21 ASN 67 -2.574 19.874 0.364 574 HD22 ASN 67 HD22 ASN 67 -3.566 19.365 1.676 575 H LYS 68 H LYS 68 -0.073 15.680 -2.272 576 HA LYS 68 HA LYS 68 1.864 17.261 -3.520 577 HB2 LYS 68 HB2 LYS 68 2.236 14.996 -2.724 578 HB3 LYS 68 HB3 LYS 68 1.096 14.384 -3.902 579 HG2 LYS 68 HG2 LYS 68 2.583 15.002 -5.707 580 HG3 LYS 68 HG3 LYS 68 3.712 15.720 -4.551 581 HD2 LYS 68 HD2 LYS 68 4.000 13.607 -3.464 582 HD3 LYS 68 HD3 LYS 68 2.834 12.846 -4.537 583 HE2 LYS 68 HE2 LYS 68 4.299 13.292 -6.445 584 HE3 LYS 68 HE3 LYS 68 5.458 14.082 -5.373 585 HZ1 LYS 68 HZ1 LYS 68 4.624 11.245 -5.178 586 HZ2 LYS 68 HZ2 LYS 68 5.787 12.012 -4.228 587 HZ3 LYS 68 HZ3 LYS 68 6.052 11.768 -5.888 Start of MODEL 4 1 H LYS 1 H LYS 1 0.318 -26.326 6.014 2 HA LYS 1 HA LYS 1 -1.136 -24.441 6.177 3 HB2 LYS 1 HB2 LYS 1 0.582 -22.691 6.235 4 HB3 LYS 1 HB3 LYS 1 1.051 -23.082 4.591 5 HG2 LYS 1 HG2 LYS 1 -0.272 -21.080 4.561 6 HG3 LYS 1 HG3 LYS 1 -1.186 -22.389 3.818 7 HD2 LYS 1 HD2 LYS 1 -2.668 -21.125 5.239 8 HD3 LYS 1 HD3 LYS 1 -2.386 -22.698 5.979 9 HE2 LYS 1 HE2 LYS 1 -2.307 -20.927 7.641 10 HE3 LYS 1 HE3 LYS 1 -0.739 -21.705 7.486 11 HZ1 LYS 1 HZ1 LYS 1 -1.504 -19.150 6.190 12 HZ2 LYS 1 HZ2 LYS 1 0.025 -19.854 6.132 13 HZ3 LYS 1 HZ3 LYS 1 -0.590 -19.259 7.586 14 HA PRO 2 HA PRO 2 -2.295 -26.359 2.259 15 HB2 PRO 2 HB2 PRO 2 -4.933 -25.157 2.761 16 HB3 PRO 2 HB3 PRO 2 -4.505 -26.860 2.606 17 HG2 PRO 2 HG2 PRO 2 -5.220 -25.781 4.972 18 HG3 PRO 2 HG3 PRO 2 -4.030 -27.086 4.845 19 HD2 PRO 2 HD2 PRO 2 -3.589 -24.160 5.221 20 HD3 PRO 2 HD3 PRO 2 -2.771 -25.541 5.990 21 H VAL 3 H VAL 3 -1.785 -25.361 0.452 22 HA VAL 3 HA VAL 3 -1.897 -22.504 0.199 23 HB VAL 3 HB VAL 3 -0.814 -22.838 -2.006 24 HG11 VAL 3 HG11 VAL 3 0.564 -22.690 -0.010 25 HG12 VAL 3 HG12 VAL 3 1.276 -23.810 -1.170 26 HG13 VAL 3 HG13 VAL 3 0.415 -24.430 0.238 27 HG21 VAL 3 HG21 VAL 3 -1.063 -25.782 -1.362 28 HG22 VAL 3 HG22 VAL 3 -0.136 -25.099 -2.696 29 HG23 VAL 3 HG23 VAL 3 -1.892 -24.929 -2.667 30 H SER 4 H SER 4 -4.181 -24.732 -0.153 31 HA SER 4 HA SER 4 -5.489 -23.829 -2.534 32 HB2 SER 4 HB2 SER 4 -7.232 -25.469 -1.607 33 HB3 SER 4 HB3 SER 4 -5.655 -26.127 -2.058 34 HG SER 4 HG SER 4 -6.876 -26.072 0.353 35 H LEU 5 H LEU 5 -5.012 -21.854 -0.447 36 HA LEU 5 HA LEU 5 -7.455 -21.298 0.926 37 HB2 LEU 5 HB2 LEU 5 -5.192 -20.657 1.759 38 HB3 LEU 5 HB3 LEU 5 -5.017 -19.539 0.433 39 HG LEU 5 HG LEU 5 -7.094 -19.245 2.623 40 HD11 LEU 5 HD11 LEU 5 -5.554 -17.610 3.618 41 HD12 LEU 5 HD12 LEU 5 -4.339 -18.027 2.407 42 HD13 LEU 5 HD13 LEU 5 -4.858 -19.228 3.589 43 HD21 LEU 5 HD21 LEU 5 -5.934 -17.243 0.675 44 HD22 LEU 5 HD22 LEU 5 -7.125 -16.894 1.931 45 HD23 LEU 5 HD23 LEU 5 -7.545 -17.949 0.578 46 H SER 6 H SER 6 -8.950 -19.593 0.431 47 HA SER 6 HA SER 6 -9.663 -19.415 -2.277 48 HB2 SER 6 HB2 SER 6 -10.639 -17.728 0.029 49 HB3 SER 6 HB3 SER 6 -11.504 -18.114 -1.462 50 HG SER 6 HG SER 6 -11.990 -20.015 -0.717 51 H TYR 7 H TYR 7 -8.308 -18.263 -3.664 52 HA TYR 7 HA TYR 7 -7.765 -15.482 -2.924 53 HB2 TYR 7 HB2 TYR 7 -6.073 -17.323 -4.621 54 HB3 TYR 7 HB3 TYR 7 -5.877 -15.591 -4.579 55 HD1 TYR 7 HD1 TYR 7 -5.179 -14.513 -2.413 56 HD2 TYR 7 HD2 TYR 7 -5.061 -18.723 -2.985 57 HE1 TYR 7 HE1 TYR 7 -3.593 -14.716 -0.544 58 HE2 TYR 7 HE2 TYR 7 -3.472 -18.933 -1.121 59 HH TYR 7 HH TYR 7 -2.886 -16.416 1.057 60 H ARG 8 H ARG 8 -8.887 -14.108 -4.058 61 HA ARG 8 HA ARG 8 -9.152 -14.557 -6.950 62 HB2 ARG 8 HB2 ARG 8 -11.292 -13.376 -6.961 63 HB3 ARG 8 HB3 ARG 8 -11.391 -14.749 -5.872 64 HG2 ARG 8 HG2 ARG 8 -11.190 -13.315 -3.958 65 HG3 ARG 8 HG3 ARG 8 -10.882 -11.924 -4.999 66 HD2 ARG 8 HD2 ARG 8 -13.439 -13.536 -4.973 67 HD3 ARG 8 HD3 ARG 8 -13.215 -11.991 -4.158 68 HE ARG 8 HE ARG 8 -12.529 -11.662 -6.842 69 HH11 ARG 8 HH11 ARG 8 -15.447 -12.342 -4.940 70 HH12 ARG 8 HH12 ARG 8 -16.489 -11.558 -6.049 71 HH21 ARG 8 HH21 ARG 8 -14.027 -10.590 -8.355 72 HH22 ARG 8 HH22 ARG 8 -15.678 -10.558 -7.981 73 H CYS 9 H CYS 9 -8.066 -12.723 -4.362 74 HA CYS 9 HA CYS 9 -7.830 -10.318 -5.977 75 HB2 CYS 9 HB2 CYS 9 -7.774 -10.624 -2.970 76 HB3 CYS 9 HB3 CYS 9 -7.632 -9.125 -3.863 77 HA PRO 10 HA PRO 10 -3.398 -10.807 -6.182 78 HB2 PRO 10 HB2 PRO 10 -3.476 -7.875 -5.504 79 HB3 PRO 10 HB3 PRO 10 -2.599 -8.710 -6.787 80 HG2 PRO 10 HG2 PRO 10 -4.793 -7.355 -7.346 81 HG3 PRO 10 HG3 PRO 10 -4.470 -8.910 -8.127 82 HD2 PRO 10 HD2 PRO 10 -6.401 -8.262 -5.942 83 HD3 PRO 10 HD3 PRO 10 -6.544 -9.433 -7.265 84 H CYS 11 H CYS 11 -4.786 -8.836 -3.570 85 HA CYS 11 HA CYS 11 -2.889 -10.128 -1.792 86 HB2 CYS 11 HB2 CYS 11 -3.659 -7.232 -1.786 87 HB3 CYS 11 HB3 CYS 11 -2.866 -8.022 -0.427 88 H ARG 12 H ARG 12 -4.170 -11.582 -0.946 89 HA ARG 12 HA ARG 12 -6.781 -10.926 0.111 90 HB2 ARG 12 HB2 ARG 12 -6.145 -13.180 -0.890 91 HB3 ARG 12 HB3 ARG 12 -5.069 -13.415 0.464 92 HG2 ARG 12 HG2 ARG 12 -8.082 -13.173 0.669 93 HG3 ARG 12 HG3 ARG 12 -7.200 -14.687 0.613 94 HD2 ARG 12 HD2 ARG 12 -6.051 -14.054 2.711 95 HD3 ARG 12 HD3 ARG 12 -6.987 -12.565 2.751 96 HE ARG 12 HE ARG 12 -8.526 -14.984 2.619 97 HH11 ARG 12 HH11 ARG 12 -7.067 -12.551 4.729 98 HH12 ARG 12 HH12 ARG 12 -8.045 -12.903 6.058 99 HH21 ARG 12 HH21 ARG 12 -9.847 -15.525 4.496 100 HH22 ARG 12 HH22 ARG 12 -9.658 -14.647 5.935 101 H PHE 13 H PHE 13 -3.508 -11.490 1.185 102 HA PHE 13 HA PHE 13 -4.244 -10.705 3.894 103 HB2 PHE 13 HB2 PHE 13 -2.158 -11.762 4.634 104 HB3 PHE 13 HB3 PHE 13 -3.140 -12.908 3.748 105 HD1 PHE 13 HD1 PHE 13 -2.474 -13.549 1.420 106 HD2 PHE 13 HD2 PHE 13 0.009 -11.157 3.912 107 HE1 PHE 13 HE1 PHE 13 -0.550 -14.056 -0.012 108 HE2 PHE 13 HE2 PHE 13 1.940 -11.652 2.475 109 HZ PHE 13 HZ PHE 13 1.664 -13.104 0.508 110 H PHE 14 H PHE 14 -3.025 -9.133 4.917 111 HA PHE 14 HA PHE 14 -1.131 -7.514 3.319 112 HB2 PHE 14 HB2 PHE 14 -3.325 -6.512 5.076 113 HB3 PHE 14 HB3 PHE 14 -2.179 -5.503 4.208 114 HD1 PHE 14 HD1 PHE 14 -2.422 -5.334 1.717 115 HD2 PHE 14 HD2 PHE 14 -5.318 -7.268 4.151 116 HE1 PHE 14 HE1 PHE 14 -4.066 -5.134 -0.089 117 HE2 PHE 14 HE2 PHE 14 -6.974 -7.080 2.343 118 HZ PHE 14 HZ PHE 14 -6.351 -6.011 0.216 119 H GLU 15 H GLU 15 0.460 -6.587 4.563 120 HA GLU 15 HA GLU 15 0.684 -7.613 7.210 121 HB2 GLU 15 HB2 GLU 15 2.557 -7.780 5.674 122 HB3 GLU 15 HB3 GLU 15 2.477 -6.053 5.364 123 HG2 GLU 15 HG2 GLU 15 4.265 -6.673 6.770 124 HG3 GLU 15 HG3 GLU 15 3.166 -5.574 7.606 125 H SER 16 H SER 16 0.416 -6.322 8.920 126 HA SER 16 HA SER 16 -0.235 -3.521 8.410 127 HB2 SER 16 HB2 SER 16 -1.632 -3.700 10.491 128 HB3 SER 16 HB3 SER 16 -2.193 -4.693 9.143 129 HG SER 16 HG SER 16 -1.211 -5.405 11.593 130 H HIS 17 H HIS 17 1.985 -5.620 9.826 131 HA HIS 17 HA HIS 17 2.791 -3.809 11.992 132 HB2 HIS 17 HB2 HIS 17 2.731 -6.347 12.184 133 HB3 HIS 17 HB3 HIS 17 4.054 -6.390 11.027 134 HD1 HIS 17 HD1 HIS 17 6.314 -6.400 12.059 135 HD2 HIS 17 HD2 HIS 17 3.453 -4.759 14.573 136 HE1 HIS 17 HE1 HIS 17 7.508 -5.861 14.172 137 HE2 HIS 17 HE2 HIS 17 5.828 -4.578 15.517 138 H VAL 18 H VAL 18 2.874 -2.966 9.200 139 HA VAL 18 HA VAL 18 5.576 -3.116 8.329 140 HB VAL 18 HB VAL 18 3.482 -1.254 7.250 141 HG11 VAL 18 HG11 VAL 18 4.784 -1.444 5.159 142 HG12 VAL 18 HG12 VAL 18 5.956 -2.445 6.009 143 HG13 VAL 18 HG13 VAL 18 5.725 -0.767 6.489 144 HG21 VAL 18 HG21 VAL 18 2.590 -3.514 7.233 145 HG22 VAL 18 HG22 VAL 18 4.046 -4.084 6.404 146 HG23 VAL 18 HG23 VAL 18 2.953 -2.962 5.600 147 H ALA 19 H ALA 19 7.126 -1.556 8.379 148 HA ALA 19 HA ALA 19 6.584 0.924 9.852 149 HB1 ALA 19 HB1 ALA 19 9.000 0.918 10.361 150 HB2 ALA 19 HB2 ALA 19 9.176 -0.579 9.445 151 HB3 ALA 19 HB3 ALA 19 8.220 -0.563 10.922 152 H ARG 20 H ARG 20 6.930 2.823 8.831 153 HA ARG 20 HA ARG 20 7.000 3.074 6.056 154 HB2 ARG 20 HB2 ARG 20 6.114 4.821 7.443 155 HB3 ARG 20 HB3 ARG 20 7.661 5.061 8.229 156 HG2 ARG 20 HG2 ARG 20 7.278 6.859 6.694 157 HG3 ARG 20 HG3 ARG 20 8.575 5.852 6.055 158 HD2 ARG 20 HD2 ARG 20 6.908 4.743 4.599 159 HD3 ARG 20 HD3 ARG 20 5.688 5.861 5.203 160 HE ARG 20 HE ARG 20 8.034 6.539 3.615 161 HH11 ARG 20 HH11 ARG 20 4.833 7.422 4.852 162 HH12 ARG 20 HH12 ARG 20 4.623 8.753 3.820 163 HH21 ARG 20 HH21 ARG 20 7.746 8.357 2.161 164 HH22 ARG 20 HH22 ARG 20 6.341 9.300 2.236 165 H ALA 21 H ALA 21 9.688 3.217 8.334 166 HA ALA 21 HA ALA 21 11.520 4.077 6.290 167 HB1 ALA 21 HB1 ALA 21 11.766 4.857 8.594 168 HB2 ALA 21 HB2 ALA 21 13.212 4.011 8.036 169 HB3 ALA 21 HB3 ALA 21 12.079 3.202 9.115 170 H ASN 22 H ASN 22 10.257 1.099 7.152 171 HA ASN 22 HA ASN 22 12.730 -0.366 6.660 172 HB2 ASN 22 HB2 ASN 22 11.173 -1.084 8.473 173 HB3 ASN 22 HB3 ASN 22 9.970 -1.460 7.245 174 HD21 ASN 22 HD21 ASN 22 9.912 -3.598 7.781 175 HD22 ASN 22 HD22 ASN 22 11.202 -4.695 7.431 176 H VAL 23 H VAL 23 9.835 0.573 4.948 177 HA VAL 23 HA VAL 23 10.182 -1.392 2.942 178 HB VAL 23 HB VAL 23 8.357 -0.176 1.800 179 HG11 VAL 23 HG11 VAL 23 7.842 -0.980 4.660 180 HG12 VAL 23 HG12 VAL 23 7.880 -2.053 3.259 181 HG13 VAL 23 HG13 VAL 23 6.611 -0.838 3.403 182 HG21 VAL 23 HG21 VAL 23 8.722 2.064 2.667 183 HG22 VAL 23 HG22 VAL 23 8.343 1.514 4.298 184 HG23 VAL 23 HG23 VAL 23 7.089 1.524 3.065 185 H LYS 24 H LYS 24 10.904 -1.139 0.951 186 HA LYS 24 HA LYS 24 12.705 1.136 0.387 187 HB2 LYS 24 HB2 LYS 24 13.462 -0.188 -1.444 188 HB3 LYS 24 HB3 LYS 24 13.556 -1.124 0.045 189 HG2 LYS 24 HG2 LYS 24 11.688 -2.452 -0.540 190 HG3 LYS 24 HG3 LYS 24 11.208 -1.348 -1.815 191 HD2 LYS 24 HD2 LYS 24 13.638 -3.140 -1.821 192 HD3 LYS 24 HD3 LYS 24 12.115 -3.338 -2.721 193 HE2 LYS 24 HE2 LYS 24 12.469 -1.228 -3.820 194 HE3 LYS 24 HE3 LYS 24 13.964 -0.996 -3.063 195 HZ1 LYS 24 HZ1 LYS 24 14.373 -1.965 -5.234 196 HZ2 LYS 24 HZ2 LYS 24 13.412 -3.301 -4.847 197 HZ3 LYS 24 HZ3 LYS 24 14.850 -3.044 -4.027 198 H HIS 25 H HIS 25 9.729 -0.255 -0.634 199 HA HIS 25 HA HIS 25 9.298 1.831 -2.573 200 HB2 HIS 25 HB2 HIS 25 10.839 0.415 -3.780 201 HB3 HIS 25 HB3 HIS 25 9.908 -0.998 -3.363 202 HD1 HIS 25 HD1 HIS 25 8.754 2.256 -5.112 203 HD2 HIS 25 HD2 HIS 25 8.943 -1.841 -5.562 204 HE1 HIS 25 HE1 HIS 25 7.517 1.816 -7.205 205 HE2 HIS 25 HE2 HIS 25 7.994 -0.578 -7.683 206 H LEU 26 H LEU 26 7.235 2.261 -2.338 207 HA LEU 26 HA LEU 26 5.309 0.183 -1.638 208 HB2 LEU 26 HB2 LEU 26 5.060 3.142 -1.963 209 HB3 LEU 26 HB3 LEU 26 3.789 2.102 -1.359 210 HG LEU 26 HG LEU 26 6.410 2.697 0.041 211 HD11 LEU 26 HD11 LEU 26 5.031 3.922 1.635 212 HD12 LEU 26 HD12 LEU 26 3.599 3.605 0.656 213 HD13 LEU 26 HD13 LEU 26 4.900 4.609 0.017 214 HD21 LEU 26 HD21 LEU 26 5.612 0.465 0.560 215 HD22 LEU 26 HD22 LEU 26 4.009 1.106 0.930 216 HD23 LEU 26 HD23 LEU 26 5.384 1.544 1.940 217 H LYS 27 H LYS 27 3.859 -0.516 -3.160 218 HA LYS 27 HA LYS 27 3.536 1.001 -5.639 219 HB2 LYS 27 HB2 LYS 27 5.272 -0.943 -5.757 220 HB3 LYS 27 HB3 LYS 27 3.889 -1.975 -5.537 221 HG2 LYS 27 HG2 LYS 27 2.853 -1.026 -7.595 222 HG3 LYS 27 HG3 LYS 27 4.346 -0.069 -7.762 223 HD2 LYS 27 HD2 LYS 27 4.392 -2.037 -9.213 224 HD3 LYS 27 HD3 LYS 27 5.663 -2.048 -7.992 225 HE2 LYS 27 HE2 LYS 27 4.359 -3.618 -6.638 226 HE3 LYS 27 HE3 LYS 27 3.060 -3.577 -7.837 227 HZ1 LYS 27 HZ1 LYS 27 4.460 -5.517 -8.094 228 HZ2 LYS 27 HZ2 LYS 27 5.824 -4.550 -8.307 229 HZ3 LYS 27 HZ3 LYS 27 4.575 -4.534 -9.441 230 H ILE 28 H ILE 28 1.380 1.413 -5.368 231 HA ILE 28 HA ILE 28 -0.223 -0.648 -4.084 232 HB ILE 28 HB ILE 28 -1.181 2.160 -4.795 233 HG12 ILE 28 HG12 ILE 28 -0.117 0.997 -2.233 234 HG13 ILE 28 HG13 ILE 28 0.678 2.235 -3.200 235 HG21 ILE 28 HG21 ILE 28 -2.973 0.422 -4.476 236 HG22 ILE 28 HG22 ILE 28 -2.987 1.651 -3.198 237 HG23 ILE 28 HG23 ILE 28 -2.277 0.077 -2.883 238 HD11 ILE 28 HD11 ILE 28 -0.358 3.152 -1.199 239 HD12 ILE 28 HD12 ILE 28 -1.919 2.519 -1.687 240 HD13 ILE 28 HD13 ILE 28 -1.152 3.798 -2.644 241 H LEU 29 H LEU 29 -1.620 -1.907 -5.067 242 HA LEU 29 HA LEU 29 -1.954 -1.678 -7.958 243 HB2 LEU 29 HB2 LEU 29 -0.773 -3.668 -7.180 244 HB3 LEU 29 HB3 LEU 29 -2.086 -4.034 -6.083 245 HG LEU 29 HG LEU 29 -3.554 -4.571 -7.938 246 HD11 LEU 29 HD11 LEU 29 -2.714 -2.983 -9.586 247 HD12 LEU 29 HD12 LEU 29 -2.706 -4.618 -10.240 248 HD13 LEU 29 HD13 LEU 29 -1.195 -3.879 -9.699 249 HD21 LEU 29 HD21 LEU 29 -0.861 -5.895 -8.183 250 HD22 LEU 29 HD22 LEU 29 -2.389 -6.544 -8.775 251 HD23 LEU 29 HD23 LEU 29 -2.135 -6.326 -7.043 252 H ASN 30 H ASN 30 -3.826 -0.887 -8.501 253 HA ASN 30 HA ASN 30 -6.136 -1.113 -6.767 254 HB2 ASN 30 HB2 ASN 30 -7.197 0.483 -8.378 255 HB3 ASN 30 HB3 ASN 30 -5.704 1.086 -7.674 256 HD21 ASN 30 HD21 ASN 30 -7.284 0.062 -10.604 257 HD22 ASN 30 HD22 ASN 30 -6.017 0.526 -11.667 258 H THR 31 H THR 31 -7.441 -2.802 -6.935 259 HA THR 31 HA THR 31 -7.750 -4.047 -9.551 260 HB THR 31 HB THR 31 -8.396 -5.094 -6.788 261 HG1 THR 31 HG1 THR 31 -6.229 -5.497 -8.581 262 HG21 THR 31 HG21 THR 31 -8.650 -7.289 -7.892 263 HG22 THR 31 HG22 THR 31 -8.379 -6.536 -9.458 264 HG23 THR 31 HG23 THR 31 -9.810 -6.118 -8.516 265 HA PRO 32 HA PRO 32 -11.799 -2.200 -10.291 266 HB2 PRO 32 HB2 PRO 32 -12.229 -5.078 -10.955 267 HB3 PRO 32 HB3 PRO 32 -12.819 -3.683 -11.843 268 HG2 PRO 32 HG2 PRO 32 -10.678 -4.908 -12.711 269 HG3 PRO 32 HG3 PRO 32 -10.643 -3.138 -12.607 270 HD2 PRO 32 HD2 PRO 32 -9.294 -5.151 -10.860 271 HD3 PRO 32 HD3 PRO 32 -8.791 -3.506 -11.309 272 H ASN 33 H ASN 33 -11.464 -5.046 -8.316 273 HA ASN 33 HA ASN 33 -14.028 -4.469 -7.060 274 HB2 ASN 33 HB2 ASN 33 -14.376 -6.996 -6.889 275 HB3 ASN 33 HB3 ASN 33 -14.657 -6.239 -8.452 276 HD21 ASN 33 HD21 ASN 33 -14.331 -8.109 -9.591 277 HD22 ASN 33 HD22 ASN 33 -12.796 -8.858 -9.784 278 H CYS 34 H CYS 34 -10.921 -6.043 -6.746 279 HA CYS 34 HA CYS 34 -11.265 -6.466 -3.932 280 HB2 CYS 34 HB2 CYS 34 -8.867 -6.759 -5.705 281 HB3 CYS 34 HB3 CYS 34 -8.952 -7.265 -4.024 282 H ALA 35 H ALA 35 -10.983 -3.705 -5.410 283 HA ALA 35 HA ALA 35 -10.491 -1.584 -4.724 284 HB1 ALA 35 HB1 ALA 35 -9.631 -2.919 -2.216 285 HB2 ALA 35 HB2 ALA 35 -11.298 -2.425 -2.558 286 HB3 ALA 35 HB3 ALA 35 -10.020 -1.195 -2.368 287 H LEU 36 H LEU 36 -8.484 -0.551 -3.189 288 HA LEU 36 HA LEU 36 -6.266 -1.310 -4.779 289 HB2 LEU 36 HB2 LEU 36 -5.161 0.779 -3.887 290 HB3 LEU 36 HB3 LEU 36 -6.514 0.969 -4.964 291 HG LEU 36 HG LEU 36 -7.922 1.445 -2.905 292 HD11 LEU 36 HD11 LEU 36 -5.229 1.738 -1.596 293 HD12 LEU 36 HD12 LEU 36 -6.457 0.543 -1.188 294 HD13 LEU 36 HD13 LEU 36 -6.772 2.257 -0.917 295 HD21 LEU 36 HD21 LEU 36 -5.665 3.255 -3.649 296 HD22 LEU 36 HD22 LEU 36 -7.158 3.771 -2.827 297 HD23 LEU 36 HD23 LEU 36 -7.218 3.091 -4.462 298 H GLN 37 H GLN 37 -4.888 -2.561 -4.245 299 HA GLN 37 HA GLN 37 -4.448 -3.276 -1.445 300 HB2 GLN 37 HB2 GLN 37 -4.076 -4.691 -4.060 301 HB3 GLN 37 HB3 GLN 37 -3.351 -5.266 -2.573 302 HG2 GLN 37 HG2 GLN 37 -5.274 -6.137 -1.828 303 HG3 GLN 37 HG3 GLN 37 -6.212 -4.737 -2.342 304 HE21 GLN 37 HE21 GLN 37 -5.603 -4.734 -4.984 305 HE22 GLN 37 HE22 GLN 37 -6.297 -6.088 -5.773 306 H ILE 38 H ILE 38 -2.420 -3.017 -0.656 307 HA ILE 38 HA ILE 38 -0.659 -1.453 -2.370 308 HB ILE 38 HB ILE 38 -0.674 -1.947 0.569 309 HG12 ILE 38 HG12 ILE 38 -1.577 0.515 -0.918 310 HG13 ILE 38 HG13 ILE 38 -2.644 -0.718 -0.249 311 HG21 ILE 38 HG21 ILE 38 1.566 -1.364 -0.162 312 HG22 ILE 38 HG22 ILE 38 0.896 0.046 0.662 313 HG23 ILE 38 HG23 ILE 38 0.976 0.002 -1.090 314 HD11 ILE 38 HD11 ILE 38 -1.883 -0.192 1.976 315 HD12 ILE 38 HD12 ILE 38 -2.458 1.273 1.119 316 HD13 ILE 38 HD13 ILE 38 -0.728 0.968 1.287 317 H VAL 39 H VAL 39 1.325 -2.260 -2.940 318 HA VAL 39 HA VAL 39 2.211 -4.767 -1.703 319 HB VAL 39 HB VAL 39 2.660 -3.752 -4.520 320 HG11 VAL 39 HG11 VAL 39 4.559 -4.982 -3.776 321 HG12 VAL 39 HG12 VAL 39 3.674 -5.940 -4.960 322 HG13 VAL 39 HG13 VAL 39 3.538 -6.329 -3.241 323 HG21 VAL 39 HG21 VAL 39 1.292 -5.660 -5.264 324 HG22 VAL 39 HG22 VAL 39 0.370 -4.534 -4.266 325 HG23 VAL 39 HG23 VAL 39 0.947 -6.059 -3.583 326 H ALA 40 H ALA 40 4.090 -4.508 -0.664 327 HA ALA 40 HA ALA 40 5.880 -2.383 -1.594 328 HB1 ALA 40 HB1 ALA 40 6.301 -1.694 0.682 329 HB2 ALA 40 HB2 ALA 40 5.079 -2.834 1.253 330 HB3 ALA 40 HB3 ALA 40 4.605 -1.476 0.234 331 H ARG 41 H ARG 41 8.038 -2.815 -1.218 332 HA ARG 41 HA ARG 41 8.589 -5.403 -0.086 333 HB2 ARG 41 HB2 ARG 41 9.476 -4.081 -2.452 334 HB3 ARG 41 HB3 ARG 41 10.841 -4.666 -1.518 335 HG2 ARG 41 HG2 ARG 41 9.951 -6.836 -1.456 336 HG3 ARG 41 HG3 ARG 41 8.442 -6.383 -2.186 337 HD2 ARG 41 HD2 ARG 41 11.176 -6.393 -3.363 338 HD3 ARG 41 HD3 ARG 41 9.780 -7.473 -3.696 339 HE ARG 41 HE ARG 41 9.062 -4.814 -4.253 340 HH11 ARG 41 HH11 ARG 41 11.063 -7.374 -5.641 341 HH12 ARG 41 HH12 ARG 41 10.885 -6.831 -7.239 342 HH21 ARG 41 HH21 ARG 41 8.817 -4.075 -6.472 343 HH22 ARG 41 HH22 ARG 41 9.592 -4.930 -7.718 344 H LEU 42 H LEU 42 10.229 -5.639 1.298 345 HA LEU 42 HA LEU 42 10.887 -3.312 2.917 346 HB2 LEU 42 HB2 LEU 42 12.025 -6.078 3.270 347 HB3 LEU 42 HB3 LEU 42 11.872 -4.843 4.432 348 HG LEU 42 HG LEU 42 9.484 -6.278 3.276 349 HD11 LEU 42 HD11 LEU 42 10.680 -6.401 6.019 350 HD12 LEU 42 HD12 LEU 42 10.759 -7.675 4.796 351 HD13 LEU 42 HD13 LEU 42 9.209 -7.206 5.494 352 HD21 LEU 42 HD21 LEU 42 9.629 -4.166 5.427 353 HD22 LEU 42 HD22 LEU 42 8.185 -5.057 4.950 354 HD23 LEU 42 HD23 LEU 42 8.959 -3.958 3.808 355 H LYS 43 H LYS 43 13.067 -2.734 3.446 356 HA LYS 43 HA LYS 43 14.675 -2.523 1.115 357 HB2 LYS 43 HB2 LYS 43 15.269 -1.799 3.977 358 HB3 LYS 43 HB3 LYS 43 16.302 -1.412 2.611 359 HG2 LYS 43 HG2 LYS 43 14.556 -0.036 1.649 360 HG3 LYS 43 HG3 LYS 43 13.469 -0.464 2.971 361 HD2 LYS 43 HD2 LYS 43 14.488 1.746 3.281 362 HD3 LYS 43 HD3 LYS 43 14.960 0.623 4.562 363 HE2 LYS 43 HE2 LYS 43 17.095 0.272 3.503 364 HE3 LYS 43 HE3 LYS 43 16.615 1.265 2.126 365 HZ1 LYS 43 HZ1 LYS 43 16.512 3.176 3.617 366 HZ2 LYS 43 HZ2 LYS 43 18.029 2.465 3.689 367 HZ3 LYS 43 HZ3 LYS 43 16.931 2.210 4.933 368 H ASN 44 H ASN 44 15.513 -3.894 4.249 369 HA ASN 44 HA ASN 44 17.871 -5.098 3.049 370 HB2 ASN 44 HB2 ASN 44 16.972 -5.212 5.939 371 HB3 ASN 44 HB3 ASN 44 18.528 -5.728 5.315 372 HD21 ASN 44 HD21 ASN 44 20.035 -4.153 4.681 373 HD22 ASN 44 HD22 ASN 44 19.886 -2.512 5.169 374 H ASN 45 H ASN 45 14.877 -6.081 4.464 375 HA ASN 45 HA ASN 45 15.553 -8.879 4.298 376 HB2 ASN 45 HB2 ASN 45 14.170 -7.948 6.142 377 HB3 ASN 45 HB3 ASN 45 12.912 -7.574 4.979 378 HD21 ASN 45 HD21 ASN 45 11.454 -8.881 6.167 379 HD22 ASN 45 HD22 ASN 45 11.566 -10.596 6.089 380 H ASN 46 H ASN 46 13.983 -6.522 2.369 381 HA ASN 46 HA ASN 46 13.322 -6.459 0.204 382 HB2 ASN 46 HB2 ASN 46 15.528 -7.534 -0.124 383 HB3 ASN 46 HB3 ASN 46 14.766 -9.110 -0.011 384 HD21 ASN 46 HD21 ASN 46 13.743 -9.944 -1.821 385 HD22 ASN 46 HD22 ASN 46 13.742 -9.144 -3.352 386 H ARG 47 H ARG 47 11.817 -8.572 2.272 387 HA ARG 47 HA ARG 47 10.350 -10.135 0.477 388 HB2 ARG 47 HB2 ARG 47 9.793 -9.230 3.266 389 HB3 ARG 47 HB3 ARG 47 8.839 -10.426 2.428 390 HG2 ARG 47 HG2 ARG 47 10.862 -11.835 2.256 391 HG3 ARG 47 HG3 ARG 47 11.724 -10.630 3.226 392 HD2 ARG 47 HD2 ARG 47 10.070 -10.860 4.979 393 HD3 ARG 47 HD3 ARG 47 9.241 -12.033 3.950 394 HE ARG 47 HE ARG 47 11.755 -13.036 4.242 395 HH11 ARG 47 HH11 ARG 47 9.214 -12.113 6.576 396 HH12 ARG 47 HH12 ARG 47 9.746 -13.194 7.759 397 HH21 ARG 47 HH21 ARG 47 12.453 -14.549 5.949 398 HH22 ARG 47 HH22 ARG 47 11.559 -14.617 7.392 399 H GLN 48 H GLN 48 8.614 -9.913 -0.528 400 HA GLN 48 HA GLN 48 7.482 -7.269 -0.752 401 HB2 GLN 48 HB2 GLN 48 8.203 -8.638 -2.714 402 HB3 GLN 48 HB3 GLN 48 6.984 -9.819 -2.271 403 HG2 GLN 48 HG2 GLN 48 5.296 -8.034 -2.531 404 HG3 GLN 48 HG3 GLN 48 6.580 -7.009 -3.109 405 HE21 GLN 48 HE21 GLN 48 4.194 -8.124 -4.521 406 HE22 GLN 48 HE22 GLN 48 4.816 -8.870 -5.929 407 H VAL 49 H VAL 49 5.773 -6.823 0.425 408 HA VAL 49 HA VAL 49 3.905 -8.962 1.088 409 HB VAL 49 HB VAL 49 3.572 -7.990 3.344 410 HG11 VAL 49 HG11 VAL 49 5.632 -8.803 4.397 411 HG12 VAL 49 HG12 VAL 49 6.427 -8.813 2.821 412 HG13 VAL 49 HG13 VAL 49 5.069 -9.889 3.129 413 HG21 VAL 49 HG21 VAL 49 4.316 -5.703 2.912 414 HG22 VAL 49 HG22 VAL 49 5.972 -6.270 2.688 415 HG23 VAL 49 HG23 VAL 49 5.206 -6.392 4.272 416 H CYS 50 H CYS 50 1.783 -8.174 1.527 417 HA CYS 50 HA CYS 50 1.199 -5.799 -0.001 418 HB2 CYS 50 HB2 CYS 50 -0.756 -7.648 1.400 419 HB3 CYS 50 HB3 CYS 50 -1.068 -6.451 0.180 420 H ILE 51 H ILE 51 0.092 -4.049 0.900 421 HA ILE 51 HA ILE 51 0.309 -3.967 3.804 422 HB ILE 51 HB ILE 51 0.768 -1.655 1.903 423 HG12 ILE 51 HG12 ILE 51 2.533 -3.311 3.641 424 HG13 ILE 51 HG13 ILE 51 2.616 -3.110 1.914 425 HG21 ILE 51 HG21 ILE 51 -0.346 -0.875 3.955 426 HG22 ILE 51 HG22 ILE 51 1.337 -0.355 3.907 427 HG23 ILE 51 HG23 ILE 51 0.869 -1.718 4.910 428 HD11 ILE 51 HD11 ILE 51 3.264 -0.773 2.129 429 HD12 ILE 51 HD12 ILE 51 4.396 -1.802 3.003 430 HD13 ILE 51 HD13 ILE 51 3.169 -0.894 3.884 431 H ASP 52 H ASP 52 -1.194 -3.159 4.932 432 HA ASP 52 HA ASP 52 -3.855 -3.134 3.984 433 HB2 ASP 52 HB2 ASP 52 -3.201 -3.983 5.991 434 HB3 ASP 52 HB3 ASP 52 -2.522 -2.483 6.593 435 HA PRO 53 HA PRO 53 -3.810 1.153 2.841 436 HB2 PRO 53 HB2 PRO 53 -6.464 1.469 2.392 437 HB3 PRO 53 HB3 PRO 53 -5.383 0.626 1.278 438 HG2 PRO 53 HG2 PRO 53 -7.276 -0.493 3.293 439 HG3 PRO 53 HG3 PRO 53 -6.914 -1.051 1.646 440 HD2 PRO 53 HD2 PRO 53 -5.870 -2.212 3.889 441 HD3 PRO 53 HD3 PRO 53 -5.049 -2.210 2.319 442 H LYS 54 H LYS 54 -5.419 0.015 5.716 443 HA LYS 54 HA LYS 54 -6.088 2.771 6.274 444 HB2 LYS 54 HB2 LYS 54 -7.549 1.927 8.126 445 HB3 LYS 54 HB3 LYS 54 -8.106 1.501 6.507 446 HG2 LYS 54 HG2 LYS 54 -8.482 -0.415 7.809 447 HG3 LYS 54 HG3 LYS 54 -6.928 -0.718 7.019 448 HD2 LYS 54 HD2 LYS 54 -6.704 -1.358 9.328 449 HD3 LYS 54 HD3 LYS 54 -5.808 0.135 8.984 450 HE2 LYS 54 HE2 LYS 54 -7.513 1.473 10.023 451 HE3 LYS 54 HE3 LYS 54 -8.519 0.044 10.280 452 HZ1 LYS 54 HZ1 LYS 54 -7.333 0.664 12.292 453 HZ2 LYS 54 HZ2 LYS 54 -5.860 0.542 11.513 454 HZ3 LYS 54 HZ3 LYS 54 -6.794 -0.832 11.743 455 H LEU 55 H LEU 55 -3.527 1.006 6.730 456 HA LEU 55 HA LEU 55 -2.734 1.403 9.374 457 HB2 LEU 55 HB2 LEU 55 -1.250 1.439 6.779 458 HB3 LEU 55 HB3 LEU 55 -0.393 1.808 8.240 459 HG LEU 55 HG LEU 55 -1.824 -0.799 7.644 460 HD11 LEU 55 HD11 LEU 55 1.110 -0.094 7.682 461 HD12 LEU 55 HD12 LEU 55 0.144 -0.380 6.237 462 HD13 LEU 55 HD13 LEU 55 0.426 -1.694 7.378 463 HD21 LEU 55 HD21 LEU 55 -1.666 -0.295 10.061 464 HD22 LEU 55 HD22 LEU 55 0.079 -0.047 9.835 465 HD23 LEU 55 HD23 LEU 55 -0.605 -1.625 9.575 466 H LYS 56 H LYS 56 -1.734 3.103 10.428 467 HA LYS 56 HA LYS 56 -2.885 5.617 9.903 468 HB2 LYS 56 HB2 LYS 56 -2.250 4.947 12.168 469 HB3 LYS 56 HB3 LYS 56 -0.551 4.984 11.706 470 HG2 LYS 56 HG2 LYS 56 -0.720 7.391 11.288 471 HG3 LYS 56 HG3 LYS 56 -2.426 7.322 11.738 472 HD2 LYS 56 HD2 LYS 56 -1.814 6.603 13.978 473 HD3 LYS 56 HD3 LYS 56 -0.108 6.656 13.532 474 HE2 LYS 56 HE2 LYS 56 -0.778 8.673 14.752 475 HE3 LYS 56 HE3 LYS 56 -0.255 9.037 13.108 476 HZ1 LYS 56 HZ1 LYS 56 -2.256 10.266 13.704 477 HZ2 LYS 56 HZ2 LYS 56 -3.074 8.847 14.039 478 HZ3 LYS 56 HZ3 LYS 56 -2.614 9.201 12.456 479 H TRP 57 H TRP 57 0.449 4.497 9.466 480 HA TRP 57 HA TRP 57 1.279 7.023 8.459 481 HB2 TRP 57 HB2 TRP 57 3.411 5.957 7.925 482 HB3 TRP 57 HB3 TRP 57 2.863 5.474 9.522 483 HD1 TRP 57 HD1 TRP 57 2.165 2.865 9.832 484 HE1 TRP 57 HE1 TRP 57 2.746 0.804 8.434 485 HE3 TRP 57 HE3 TRP 57 3.799 5.213 5.641 486 HZ2 TRP 57 HZ2 TRP 57 3.775 0.255 5.852 487 HZ3 TRP 57 HZ3 TRP 57 4.572 3.889 3.761 488 HH2 TRP 57 HH2 TRP 57 4.553 1.437 3.848 489 H ILE 58 H ILE 58 -0.211 4.284 7.067 490 HA ILE 58 HA ILE 58 0.368 4.956 4.357 491 HB ILE 58 HB ILE 58 -1.674 3.091 5.599 492 HG12 ILE 58 HG12 ILE 58 0.651 2.326 5.655 493 HG13 ILE 58 HG13 ILE 58 -0.323 1.327 4.593 494 HG21 ILE 58 HG21 ILE 58 -2.158 2.260 3.388 495 HG22 ILE 58 HG22 ILE 58 -1.170 3.546 2.688 496 HG23 ILE 58 HG23 ILE 58 -2.655 3.963 3.570 497 HD11 ILE 58 HD11 ILE 58 1.824 1.752 3.589 498 HD12 ILE 58 HD12 ILE 58 1.570 3.486 3.697 499 HD13 ILE 58 HD13 ILE 58 0.546 2.512 2.640 500 H GLN 59 H GLN 59 -2.239 5.608 6.616 501 HA GLN 59 HA GLN 59 -3.786 7.063 4.784 502 HB2 GLN 59 HB2 GLN 59 -3.680 7.135 7.791 503 HB3 GLN 59 HB3 GLN 59 -4.771 8.157 6.863 504 HG2 GLN 59 HG2 GLN 59 -4.704 5.144 6.782 505 HG3 GLN 59 HG3 GLN 59 -5.882 6.131 7.656 506 HE21 GLN 59 HE21 GLN 59 -4.833 5.032 4.528 507 HE22 GLN 59 HE22 GLN 59 -6.190 5.608 3.647 508 H GLU 60 H GLU 60 -1.196 8.050 6.971 509 HA GLU 60 HA GLU 60 -1.244 10.790 6.349 510 HB2 GLU 60 HB2 GLU 60 1.186 9.078 6.918 511 HB3 GLU 60 HB3 GLU 60 1.115 10.828 7.009 512 HG2 GLU 60 HG2 GLU 60 -0.511 10.634 8.846 513 HG3 GLU 60 HG3 GLU 60 -0.357 8.880 8.765 514 H TYR 61 H TYR 61 0.379 8.068 4.846 515 HA TYR 61 HA TYR 61 1.815 9.296 2.805 516 HB2 TYR 61 HB2 TYR 61 2.137 6.906 3.333 517 HB3 TYR 61 HB3 TYR 61 0.504 6.561 2.930 518 HD1 TYR 61 HD1 TYR 61 3.357 8.243 1.177 519 HD2 TYR 61 HD2 TYR 61 0.196 5.410 1.028 520 HE1 TYR 61 HE1 TYR 61 3.965 7.695 -1.133 521 HE2 TYR 61 HE2 TYR 61 0.755 4.851 -1.259 522 HH TYR 61 HH TYR 61 3.710 5.924 -2.683 523 H LEU 62 H LEU 62 -1.397 7.886 2.658 524 HA LEU 62 HA LEU 62 -1.763 8.682 0.003 525 HB2 LEU 62 HB2 LEU 62 -3.502 7.375 1.998 526 HB3 LEU 62 HB3 LEU 62 -4.072 7.793 0.378 527 HG LEU 62 HG LEU 62 -1.527 6.275 0.740 528 HD11 LEU 62 HD11 LEU 62 -2.721 4.296 0.328 529 HD12 LEU 62 HD12 LEU 62 -4.286 5.183 0.520 530 HD13 LEU 62 HD13 LEU 62 -3.099 5.060 1.871 531 HD21 LEU 62 HD21 LEU 62 -1.931 7.275 -1.426 532 HD22 LEU 62 HD22 LEU 62 -3.513 6.488 -1.490 533 HD23 LEU 62 HD23 LEU 62 -2.044 5.515 -1.506 534 H GLU 63 H GLU 63 -2.896 10.005 3.070 535 HA GLU 63 HA GLU 63 -4.612 11.942 2.058 536 HB2 GLU 63 HB2 GLU 63 -4.340 11.464 4.437 537 HB3 GLU 63 HB3 GLU 63 -2.683 12.025 4.377 538 HG2 GLU 63 HG2 GLU 63 -3.450 14.256 3.882 539 HG3 GLU 63 HG3 GLU 63 -5.127 13.695 3.944 540 H LYS 64 H LYS 64 -1.135 11.977 2.618 541 HA LYS 64 HA LYS 64 -0.506 14.509 1.699 542 HB2 LYS 64 HB2 LYS 64 1.136 13.308 2.853 543 HB3 LYS 64 HB3 LYS 64 1.024 11.933 1.767 544 HG2 LYS 64 HG2 LYS 64 2.092 13.032 0.068 545 HG3 LYS 64 HG3 LYS 64 1.928 14.604 0.822 546 HD2 LYS 64 HD2 LYS 64 3.433 13.776 2.642 547 HD3 LYS 64 HD3 LYS 64 3.596 12.256 1.761 548 HE2 LYS 64 HE2 LYS 64 4.603 13.447 -0.121 549 HE3 LYS 64 HE3 LYS 64 4.412 14.974 0.738 550 HZ1 LYS 64 HZ1 LYS 64 6.099 12.701 1.648 551 HZ2 LYS 64 HZ2 LYS 64 5.907 14.166 2.440 552 HZ3 LYS 64 HZ3 LYS 64 6.662 14.129 0.938 553 H ALA 65 H ALA 65 -0.007 11.590 -0.068 554 HA ALA 65 HA ALA 65 0.485 12.660 -2.589 555 HB1 ALA 65 HB1 ALA 65 0.101 10.487 -3.524 556 HB2 ALA 65 HB2 ALA 65 -0.785 9.993 -2.082 557 HB3 ALA 65 HB3 ALA 65 0.949 10.334 -1.979 558 H LEU 66 H LEU 66 -2.716 11.818 -1.236 559 HA LEU 66 HA LEU 66 -3.974 12.293 -3.731 560 HB2 LEU 66 HB2 LEU 66 -5.157 12.024 -0.981 561 HB3 LEU 66 HB3 LEU 66 -6.126 12.221 -2.434 562 HG LEU 66 HG LEU 66 -4.304 9.897 -1.800 563 HD11 LEU 66 HD11 LEU 66 -7.301 10.086 -1.917 564 HD12 LEU 66 HD12 LEU 66 -6.325 9.899 -0.462 565 HD13 LEU 66 HD13 LEU 66 -6.373 8.609 -1.663 566 HD21 LEU 66 HD21 LEU 66 -6.104 10.370 -4.180 567 HD22 LEU 66 HD22 LEU 66 -5.266 8.867 -3.816 568 HD23 LEU 66 HD23 LEU 66 -4.341 10.315 -4.203 569 H ASN 67 H ASN 67 -3.348 14.279 -0.909 570 HA ASN 67 HA ASN 67 -4.900 16.464 -1.948 571 HB2 ASN 67 HB2 ASN 67 -2.831 16.401 0.254 572 HB3 ASN 67 HB3 ASN 67 -3.736 17.844 -0.189 573 HD21 ASN 67 HD21 ASN 67 -3.649 16.438 2.332 574 HD22 ASN 67 HD22 ASN 67 -5.272 15.951 2.661 575 H LYS 68 H LYS 68 -1.694 15.326 -2.277 576 HA LYS 68 HA LYS 68 -0.427 17.635 -3.237 577 HB2 LYS 68 HB2 LYS 68 0.769 15.608 -2.485 578 HB3 LYS 68 HB3 LYS 68 0.143 14.748 -3.872 579 HG2 LYS 68 HG2 LYS 68 1.371 16.173 -5.382 580 HG3 LYS 68 HG3 LYS 68 1.946 17.150 -4.028 581 HD2 LYS 68 HD2 LYS 68 3.068 15.244 -3.102 582 HD3 LYS 68 HD3 LYS 68 2.481 14.222 -4.416 583 HE2 LYS 68 HE2 LYS 68 3.708 15.568 -6.026 584 HE3 LYS 68 HE3 LYS 68 4.290 16.628 -4.740 585 HZ1 LYS 68 HZ1 LYS 68 4.911 13.741 -5.072 586 HZ2 LYS 68 HZ2 LYS 68 5.443 14.699 -3.794 587 HZ3 LYS 68 HZ3 LYS 68 5.967 15.021 -5.345 Start of MODEL 5 1 H LYS 1 H LYS 1 5.926 -26.429 -3.541 2 HA LYS 1 HA LYS 1 3.594 -27.088 -3.237 3 HB2 LYS 1 HB2 LYS 1 4.478 -25.106 -1.147 4 HB3 LYS 1 HB3 LYS 1 3.338 -26.408 -0.893 5 HG2 LYS 1 HG2 LYS 1 5.144 -28.044 -1.264 6 HG3 LYS 1 HG3 LYS 1 6.282 -26.715 -1.493 7 HD2 LYS 1 HD2 LYS 1 4.697 -27.284 1.021 8 HD3 LYS 1 HD3 LYS 1 6.407 -27.613 0.784 9 HE2 LYS 1 HE2 LYS 1 6.881 -25.242 0.546 10 HE3 LYS 1 HE3 LYS 1 5.171 -24.849 0.655 11 HZ1 LYS 1 HZ1 LYS 1 5.137 -25.694 2.885 12 HZ2 LYS 1 HZ2 LYS 1 6.297 -24.478 2.740 13 HZ3 LYS 1 HZ3 LYS 1 6.777 -26.095 2.816 14 HA PRO 2 HA PRO 2 1.384 -23.344 -4.485 15 HB2 PRO 2 HB2 PRO 2 -0.574 -24.779 -5.911 16 HB3 PRO 2 HB3 PRO 2 0.846 -23.982 -6.587 17 HG2 PRO 2 HG2 PRO 2 0.379 -26.771 -6.488 18 HG3 PRO 2 HG3 PRO 2 1.896 -25.969 -6.914 19 HD2 PRO 2 HD2 PRO 2 1.061 -27.213 -4.343 20 HD3 PRO 2 HD3 PRO 2 2.685 -27.051 -5.044 21 H VAL 3 H VAL 3 0.695 -22.984 -2.369 22 HA VAL 3 HA VAL 3 -1.965 -24.047 -1.816 23 HB VAL 3 HB VAL 3 -1.541 -23.518 0.643 24 HG11 VAL 3 HG11 VAL 3 0.294 -25.535 -0.652 25 HG12 VAL 3 HG12 VAL 3 -1.389 -25.795 -0.197 26 HG13 VAL 3 HG13 VAL 3 -0.172 -25.513 1.050 27 HG21 VAL 3 HG21 VAL 3 0.336 -21.952 0.356 28 HG22 VAL 3 HG22 VAL 3 1.328 -23.256 -0.290 29 HG23 VAL 3 HG23 VAL 3 0.794 -23.307 1.389 30 H SER 4 H SER 4 -3.380 -22.640 -2.528 31 HA SER 4 HA SER 4 -3.360 -19.972 -1.510 32 HB2 SER 4 HB2 SER 4 -3.246 -18.963 -3.795 33 HB3 SER 4 HB3 SER 4 -1.727 -19.662 -3.224 34 HG SER 4 HG SER 4 -3.033 -21.587 -4.408 35 H LEU 5 H LEU 5 -5.159 -18.752 -2.353 36 HA LEU 5 HA LEU 5 -7.438 -20.399 -3.135 37 HB2 LEU 5 HB2 LEU 5 -7.545 -18.894 -1.084 38 HB3 LEU 5 HB3 LEU 5 -7.263 -17.522 -2.115 39 HG LEU 5 HG LEU 5 -9.744 -19.265 -2.221 40 HD11 LEU 5 HD11 LEU 5 -10.834 -17.411 -1.039 41 HD12 LEU 5 HD12 LEU 5 -9.265 -16.620 -0.862 42 HD13 LEU 5 HD13 LEU 5 -9.571 -18.174 -0.078 43 HD21 LEU 5 HD21 LEU 5 -9.326 -18.001 -4.296 44 HD22 LEU 5 HD22 LEU 5 -9.208 -16.513 -3.358 45 HD23 LEU 5 HD23 LEU 5 -10.739 -17.389 -3.437 46 H SER 6 H SER 6 -8.532 -19.760 -5.076 47 HA SER 6 HA SER 6 -7.042 -19.174 -7.280 48 HB2 SER 6 HB2 SER 6 -9.949 -18.474 -6.861 49 HB3 SER 6 HB3 SER 6 -9.152 -18.701 -8.422 50 HG SER 6 HG SER 6 -8.573 -20.797 -7.001 51 H TYR 7 H TYR 7 -6.040 -17.433 -8.057 52 HA TYR 7 HA TYR 7 -6.267 -15.040 -6.599 53 HB2 TYR 7 HB2 TYR 7 -4.399 -15.775 -8.812 54 HB3 TYR 7 HB3 TYR 7 -4.487 -14.129 -8.192 55 HD1 TYR 7 HD1 TYR 7 -3.937 -13.664 -5.852 56 HD2 TYR 7 HD2 TYR 7 -3.325 -17.522 -7.531 57 HE1 TYR 7 HE1 TYR 7 -2.476 -14.227 -3.979 58 HE2 TYR 7 HE2 TYR 7 -1.851 -18.105 -5.641 59 HH TYR 7 HH TYR 7 -0.469 -16.949 -3.990 60 H ARG 8 H ARG 8 -8.338 -14.708 -6.973 61 HA ARG 8 HA ARG 8 -9.169 -13.201 -9.312 62 HB2 ARG 8 HB2 ARG 8 -11.191 -12.762 -7.937 63 HB3 ARG 8 HB3 ARG 8 -10.815 -14.480 -8.001 64 HG2 ARG 8 HG2 ARG 8 -9.716 -14.300 -5.802 65 HG3 ARG 8 HG3 ARG 8 -10.157 -12.599 -5.758 66 HD2 ARG 8 HD2 ARG 8 -12.515 -13.181 -5.751 67 HD3 ARG 8 HD3 ARG 8 -12.109 -14.888 -5.950 68 HE ARG 8 HE ARG 8 -10.834 -13.891 -3.665 69 HH11 ARG 8 HH11 ARG 8 -14.087 -14.701 -4.777 70 HH12 ARG 8 HH12 ARG 8 -14.676 -15.095 -3.227 71 HH21 ARG 8 HH21 ARG 8 -11.614 -14.476 -1.545 72 HH22 ARG 8 HH22 ARG 8 -13.223 -14.998 -1.356 73 H CYS 9 H CYS 9 -7.705 -12.793 -6.245 74 HA CYS 9 HA CYS 9 -7.676 -9.908 -6.557 75 HB2 CYS 9 HB2 CYS 9 -7.544 -11.565 -4.031 76 HB3 CYS 9 HB3 CYS 9 -7.399 -9.813 -4.102 77 HA PRO 10 HA PRO 10 -3.265 -10.511 -7.041 78 HB2 PRO 10 HB2 PRO 10 -3.199 -7.754 -5.878 79 HB3 PRO 10 HB3 PRO 10 -2.485 -8.370 -7.372 80 HG2 PRO 10 HG2 PRO 10 -4.649 -6.866 -7.450 81 HG3 PRO 10 HG3 PRO 10 -4.496 -8.270 -8.518 82 HD2 PRO 10 HD2 PRO 10 -6.087 -8.002 -5.984 83 HD3 PRO 10 HD3 PRO 10 -6.510 -8.787 -7.518 84 H CYS 11 H CYS 11 -4.544 -9.039 -4.059 85 HA CYS 11 HA CYS 11 -2.492 -10.520 -2.603 86 HB2 CYS 11 HB2 CYS 11 -3.580 -7.775 -2.003 87 HB3 CYS 11 HB3 CYS 11 -2.691 -8.723 -0.826 88 H ARG 12 H ARG 12 -3.112 -11.799 -1.072 89 HA ARG 12 HA ARG 12 -5.932 -11.809 -0.279 90 HB2 ARG 12 HB2 ARG 12 -3.805 -13.944 -0.034 91 HB3 ARG 12 HB3 ARG 12 -5.427 -14.087 0.623 92 HG2 ARG 12 HG2 ARG 12 -6.346 -13.944 -1.634 93 HG3 ARG 12 HG3 ARG 12 -4.711 -13.805 -2.287 94 HD2 ARG 12 HD2 ARG 12 -5.736 -16.129 -0.659 95 HD3 ARG 12 HD3 ARG 12 -5.620 -16.103 -2.417 96 HE ARG 12 HE ARG 12 -3.138 -15.597 -1.873 97 HH11 ARG 12 HH11 ARG 12 -5.149 -17.782 0.083 98 HH12 ARG 12 HH12 ARG 12 -3.900 -18.886 0.347 99 HH21 ARG 12 HH21 ARG 12 -1.459 -17.136 -1.512 100 HH22 ARG 12 HH22 ARG 12 -1.732 -18.537 -0.575 101 H PHE 13 H PHE 13 -2.623 -11.892 0.914 102 HA PHE 13 HA PHE 13 -3.566 -11.270 3.614 103 HB2 PHE 13 HB2 PHE 13 -0.867 -12.261 2.678 104 HB3 PHE 13 HB3 PHE 13 -1.337 -11.972 4.344 105 HD1 PHE 13 HD1 PHE 13 -1.719 -14.145 1.442 106 HD2 PHE 13 HD2 PHE 13 -2.740 -13.529 5.520 107 HE1 PHE 13 HE1 PHE 13 -2.500 -16.435 1.570 108 HE2 PHE 13 HE2 PHE 13 -3.532 -15.849 5.676 109 HZ PHE 13 HZ PHE 13 -3.417 -17.316 3.706 110 H PHE 14 H PHE 14 -2.680 -9.516 4.677 111 HA PHE 14 HA PHE 14 -0.882 -7.677 3.208 112 HB2 PHE 14 HB2 PHE 14 -3.268 -6.929 4.866 113 HB3 PHE 14 HB3 PHE 14 -2.175 -5.788 4.099 114 HD1 PHE 14 HD1 PHE 14 -2.346 -5.455 1.641 115 HD2 PHE 14 HD2 PHE 14 -5.051 -7.965 3.754 116 HE1 PHE 14 HE1 PHE 14 -3.885 -5.377 -0.247 117 HE2 PHE 14 HE2 PHE 14 -6.603 -7.886 1.865 118 HZ PHE 14 HZ PHE 14 -6.038 -6.604 -0.139 119 H GLU 15 H GLU 15 0.541 -6.603 4.579 120 HA GLU 15 HA GLU 15 0.835 -7.761 7.190 121 HB2 GLU 15 HB2 GLU 15 2.561 -7.086 5.250 122 HB3 GLU 15 HB3 GLU 15 2.464 -5.536 6.060 123 HG2 GLU 15 HG2 GLU 15 3.417 -8.149 7.183 124 HG3 GLU 15 HG3 GLU 15 4.309 -6.670 6.822 125 H SER 16 H SER 16 0.478 -6.428 9.070 126 HA SER 16 HA SER 16 -0.910 -3.926 8.459 127 HB2 SER 16 HB2 SER 16 -2.387 -4.523 10.435 128 HB3 SER 16 HB3 SER 16 -2.606 -5.449 8.947 129 HG SER 16 HG SER 16 -1.919 -7.154 9.870 130 H HIS 17 H HIS 17 1.927 -4.697 9.701 131 HA HIS 17 HA HIS 17 1.737 -2.546 11.659 132 HB2 HIS 17 HB2 HIS 17 3.079 -5.211 12.103 133 HB3 HIS 17 HB3 HIS 17 3.447 -3.788 13.073 134 HD1 HIS 17 HD1 HIS 17 1.312 -6.645 13.018 135 HD2 HIS 17 HD2 HIS 17 0.947 -2.726 14.305 136 HE1 HIS 17 HE1 HIS 17 -0.607 -6.642 14.596 137 HE2 HIS 17 HE2 HIS 17 -1.072 -4.216 14.858 138 H VAL 18 H VAL 18 2.552 -2.743 8.943 139 HA VAL 18 HA VAL 18 5.246 -3.066 8.493 140 HB VAL 18 HB VAL 18 3.422 -1.189 6.995 141 HG11 VAL 18 HG11 VAL 18 4.890 -1.652 5.081 142 HG12 VAL 18 HG12 VAL 18 5.925 -2.624 6.123 143 HG13 VAL 18 HG13 VAL 18 5.764 -0.891 6.410 144 HG21 VAL 18 HG21 VAL 18 2.422 -3.398 7.165 145 HG22 VAL 18 HG22 VAL 18 3.914 -4.133 6.585 146 HG23 VAL 18 HG23 VAL 18 2.971 -3.099 5.515 147 H ALA 19 H ALA 19 7.018 -1.759 8.571 148 HA ALA 19 HA ALA 19 6.710 0.842 9.832 149 HB1 ALA 19 HB1 ALA 19 9.140 0.679 10.252 150 HB2 ALA 19 HB2 ALA 19 9.173 -0.864 9.400 151 HB3 ALA 19 HB3 ALA 19 8.272 -0.706 10.910 152 H ARG 20 H ARG 20 6.945 2.622 8.617 153 HA ARG 20 HA ARG 20 7.203 2.443 5.801 154 HB2 ARG 20 HB2 ARG 20 5.891 4.188 6.885 155 HB3 ARG 20 HB3 ARG 20 7.342 4.877 7.578 156 HG2 ARG 20 HG2 ARG 20 8.135 5.532 5.383 157 HG3 ARG 20 HG3 ARG 20 6.770 4.710 4.620 158 HD2 ARG 20 HD2 ARG 20 5.239 6.123 5.750 159 HD3 ARG 20 HD3 ARG 20 6.533 7.010 6.568 160 HE ARG 20 HE ARG 20 6.714 7.042 3.695 161 HH11 ARG 20 HH11 ARG 20 5.175 8.629 6.473 162 HH12 ARG 20 HH12 ARG 20 4.846 10.085 5.668 163 HH21 ARG 20 HH21 ARG 20 6.259 9.047 2.562 164 HH22 ARG 20 HH22 ARG 20 5.507 10.329 3.379 165 H ALA 21 H ALA 21 9.488 3.106 8.310 166 HA ALA 21 HA ALA 21 11.566 4.070 6.631 167 HB1 ALA 21 HB1 ALA 21 11.529 4.509 9.036 168 HB2 ALA 21 HB2 ALA 21 13.026 3.712 8.556 169 HB3 ALA 21 HB3 ALA 21 11.756 2.792 9.359 170 H ASN 22 H ASN 22 10.299 0.938 7.213 171 HA ASN 22 HA ASN 22 12.778 -0.400 6.464 172 HB2 ASN 22 HB2 ASN 22 11.463 -1.276 8.390 173 HB3 ASN 22 HB3 ASN 22 10.110 -1.564 7.309 174 HD21 ASN 22 HD21 ASN 22 10.071 -3.729 7.811 175 HD22 ASN 22 HD22 ASN 22 11.261 -4.856 7.274 176 H VAL 23 H VAL 23 9.997 0.838 4.942 177 HA VAL 23 HA VAL 23 9.994 -1.181 2.872 178 HB VAL 23 HB VAL 23 8.394 1.409 3.017 179 HG11 VAL 23 HG11 VAL 23 7.021 0.429 1.295 180 HG12 VAL 23 HG12 VAL 23 8.140 -0.940 1.186 181 HG13 VAL 23 HG13 VAL 23 8.679 0.680 0.756 182 HG21 VAL 23 HG21 VAL 23 6.528 -0.022 3.635 183 HG22 VAL 23 HG22 VAL 23 7.830 -0.149 4.817 184 HG23 VAL 23 HG23 VAL 23 7.591 -1.427 3.626 185 H LYS 24 H LYS 24 10.960 -1.063 0.974 186 HA LYS 24 HA LYS 24 12.797 1.156 0.372 187 HB2 LYS 24 HB2 LYS 24 13.550 -0.206 -1.466 188 HB3 LYS 24 HB3 LYS 24 13.615 -1.132 0.030 189 HG2 LYS 24 HG2 LYS 24 11.778 -2.453 -0.577 190 HG3 LYS 24 HG3 LYS 24 11.278 -1.332 -1.833 191 HD2 LYS 24 HD2 LYS 24 13.748 -3.098 -1.909 192 HD3 LYS 24 HD3 LYS 24 12.220 -3.336 -2.778 193 HE2 LYS 24 HE2 LYS 24 12.539 -1.137 -3.847 194 HE3 LYS 24 HE3 LYS 24 14.084 -1.014 -3.119 195 HZ1 LYS 24 HZ1 LYS 24 14.308 -1.886 -5.355 196 HZ2 LYS 24 HZ2 LYS 24 13.395 -3.250 -4.957 197 HZ3 LYS 24 HZ3 LYS 24 14.870 -2.988 -4.204 198 H HIS 25 H HIS 25 9.799 -0.155 -0.691 199 HA HIS 25 HA HIS 25 9.427 1.955 -2.605 200 HB2 HIS 25 HB2 HIS 25 10.916 0.580 -3.864 201 HB3 HIS 25 HB3 HIS 25 10.049 -0.867 -3.418 202 HD1 HIS 25 HD1 HIS 25 8.744 2.323 -5.089 203 HD2 HIS 25 HD2 HIS 25 9.144 -1.739 -5.634 204 HE1 HIS 25 HE1 HIS 25 7.498 1.854 -7.212 205 HE2 HIS 25 HE2 HIS 25 8.058 -0.542 -7.705 206 H LEU 26 H LEU 26 7.384 2.433 -2.417 207 HA LEU 26 HA LEU 26 5.358 0.428 -1.703 208 HB2 LEU 26 HB2 LEU 26 5.377 3.421 -1.751 209 HB3 LEU 26 HB3 LEU 26 3.940 2.493 -1.373 210 HG LEU 26 HG LEU 26 6.482 2.478 0.288 211 HD11 LEU 26 HD11 LEU 26 5.226 3.855 1.860 212 HD12 LEU 26 HD12 LEU 26 3.859 3.907 0.744 213 HD13 LEU 26 HD13 LEU 26 5.384 4.680 0.311 214 HD21 LEU 26 HD21 LEU 26 5.114 0.472 0.450 215 HD22 LEU 26 HD22 LEU 26 3.702 1.451 0.839 216 HD23 LEU 26 HD23 LEU 26 5.078 1.406 1.947 217 H LYS 27 H LYS 27 3.885 -0.173 -3.240 218 HA LYS 27 HA LYS 27 3.367 1.635 -5.464 219 HB2 LYS 27 HB2 LYS 27 5.138 -0.407 -5.839 220 HB3 LYS 27 HB3 LYS 27 3.664 -1.269 -6.067 221 HG2 LYS 27 HG2 LYS 27 4.454 1.166 -7.665 222 HG3 LYS 27 HG3 LYS 27 4.590 -0.503 -8.205 223 HD2 LYS 27 HD2 LYS 27 2.022 0.911 -7.488 224 HD3 LYS 27 HD3 LYS 27 2.611 0.635 -9.128 225 HE2 LYS 27 HE2 LYS 27 2.556 -1.783 -8.698 226 HE3 LYS 27 HE3 LYS 27 1.920 -1.456 -7.090 227 HZ1 LYS 27 HZ1 LYS 27 0.199 -2.031 -8.692 228 HZ2 LYS 27 HZ2 LYS 27 0.614 -0.727 -9.639 229 HZ3 LYS 27 HZ3 LYS 27 -0.040 -0.441 -8.106 230 H ILE 28 H ILE 28 1.227 1.860 -5.246 231 HA ILE 28 HA ILE 28 -0.244 -0.307 -3.983 232 HB ILE 28 HB ILE 28 -1.303 2.494 -4.521 233 HG12 ILE 28 HG12 ILE 28 -0.128 1.250 -2.046 234 HG13 ILE 28 HG13 ILE 28 0.595 2.557 -2.975 235 HG21 ILE 28 HG21 ILE 28 -3.037 0.747 -4.243 236 HG22 ILE 28 HG22 ILE 28 -3.001 1.848 -2.858 237 HG23 ILE 28 HG23 ILE 28 -2.268 0.253 -2.731 238 HD11 ILE 28 HD11 ILE 28 -0.456 3.326 -0.897 239 HD12 ILE 28 HD12 ILE 28 -2.000 2.695 -1.439 240 HD13 ILE 28 HD13 ILE 28 -1.240 4.031 -2.315 241 H LEU 29 H LEU 29 -1.885 -1.419 -4.854 242 HA LEU 29 HA LEU 29 -2.313 -1.154 -7.740 243 HB2 LEU 29 HB2 LEU 29 -1.036 -3.125 -7.002 244 HB3 LEU 29 HB3 LEU 29 -2.314 -3.516 -5.878 245 HG LEU 29 HG LEU 29 -3.803 -4.107 -7.687 246 HD11 LEU 29 HD11 LEU 29 -3.053 -2.491 -9.362 247 HD12 LEU 29 HD12 LEU 29 -2.985 -4.129 -10.013 248 HD13 LEU 29 HD13 LEU 29 -1.507 -3.323 -9.488 249 HD21 LEU 29 HD21 LEU 29 -1.070 -5.316 -8.000 250 HD22 LEU 29 HD22 LEU 29 -2.595 -6.019 -8.542 251 HD23 LEU 29 HD23 LEU 29 -2.295 -5.784 -6.825 252 H ASN 30 H ASN 30 -4.489 -1.026 -8.377 253 HA ASN 30 HA ASN 30 -6.424 -1.468 -6.226 254 HB2 ASN 30 HB2 ASN 30 -7.928 0.189 -7.180 255 HB3 ASN 30 HB3 ASN 30 -6.370 0.924 -6.851 256 HD21 ASN 30 HD21 ASN 30 -5.117 1.644 -8.591 257 HD22 ASN 30 HD22 ASN 30 -5.764 1.786 -10.181 258 H THR 31 H THR 31 -7.969 -2.889 -6.521 259 HA THR 31 HA THR 31 -8.398 -3.918 -9.230 260 HB THR 31 HB THR 31 -8.552 -5.371 -6.594 261 HG1 THR 31 HG1 THR 31 -6.586 -5.469 -8.665 262 HG21 THR 31 HG21 THR 31 -8.731 -7.413 -7.955 263 HG22 THR 31 HG22 THR 31 -8.738 -6.423 -9.421 264 HG23 THR 31 HG23 THR 31 -10.061 -6.294 -8.262 265 HA PRO 32 HA PRO 32 -12.558 -2.320 -8.921 266 HB2 PRO 32 HB2 PRO 32 -13.205 -5.062 -9.905 267 HB3 PRO 32 HB3 PRO 32 -13.839 -3.498 -10.430 268 HG2 PRO 32 HG2 PRO 32 -11.939 -4.725 -11.823 269 HG3 PRO 32 HG3 PRO 32 -11.937 -2.963 -11.623 270 HD2 PRO 32 HD2 PRO 32 -10.147 -4.997 -10.411 271 HD3 PRO 32 HD3 PRO 32 -9.867 -3.272 -10.722 272 H ASN 33 H ASN 33 -12.459 -5.781 -7.927 273 HA ASN 33 HA ASN 33 -14.521 -5.088 -5.937 274 HB2 ASN 33 HB2 ASN 33 -13.887 -7.814 -7.082 275 HB3 ASN 33 HB3 ASN 33 -15.132 -7.478 -5.892 276 HD21 ASN 33 HD21 ASN 33 -14.207 -7.205 -9.206 277 HD22 ASN 33 HD22 ASN 33 -15.741 -6.742 -9.828 278 H CYS 34 H CYS 34 -11.344 -6.271 -6.297 279 HA CYS 34 HA CYS 34 -11.224 -7.309 -3.594 280 HB2 CYS 34 HB2 CYS 34 -9.042 -6.954 -5.645 281 HB3 CYS 34 HB3 CYS 34 -8.869 -7.811 -4.126 282 H ALA 35 H ALA 35 -11.139 -4.344 -5.004 283 HA ALA 35 HA ALA 35 -10.927 -2.312 -4.245 284 HB1 ALA 35 HB1 ALA 35 -10.276 -3.587 -1.627 285 HB2 ALA 35 HB2 ALA 35 -11.894 -3.254 -2.256 286 HB3 ALA 35 HB3 ALA 35 -10.804 -1.902 -1.860 287 H LEU 36 H LEU 36 -9.142 -1.023 -2.489 288 HA LEU 36 HA LEU 36 -6.888 -0.845 -4.027 289 HB2 LEU 36 HB2 LEU 36 -8.138 0.926 -2.893 290 HB3 LEU 36 HB3 LEU 36 -7.736 0.205 -1.346 291 HG LEU 36 HG LEU 36 -5.494 0.459 -1.892 292 HD11 LEU 36 HD11 LEU 36 -6.582 2.180 -4.157 293 HD12 LEU 36 HD12 LEU 36 -5.555 0.761 -4.326 294 HD13 LEU 36 HD13 LEU 36 -4.895 2.258 -3.664 295 HD21 LEU 36 HD21 LEU 36 -5.388 2.917 -1.346 296 HD22 LEU 36 HD22 LEU 36 -6.498 1.955 -0.369 297 HD23 LEU 36 HD23 LEU 36 -7.128 2.972 -1.669 298 H GLN 37 H GLN 37 -4.990 -1.920 -3.701 299 HA GLN 37 HA GLN 37 -4.472 -3.352 -1.193 300 HB2 GLN 37 HB2 GLN 37 -4.228 -4.364 -4.032 301 HB3 GLN 37 HB3 GLN 37 -3.632 -5.213 -2.611 302 HG2 GLN 37 HG2 GLN 37 -5.742 -5.642 -1.823 303 HG3 GLN 37 HG3 GLN 37 -6.497 -4.401 -2.824 304 HE21 GLN 37 HE21 GLN 37 -6.867 -4.799 -4.893 305 HE22 GLN 37 HE22 GLN 37 -6.875 -6.351 -5.620 306 H ILE 38 H ILE 38 -2.396 -2.940 -0.535 307 HA ILE 38 HA ILE 38 -0.771 -1.299 -2.334 308 HB ILE 38 HB ILE 38 -0.603 -1.874 0.579 309 HG12 ILE 38 HG12 ILE 38 -1.563 0.636 -0.782 310 HG13 ILE 38 HG13 ILE 38 -2.593 -0.600 -0.065 311 HG21 ILE 38 HG21 ILE 38 1.605 -1.294 -0.217 312 HG22 ILE 38 HG22 ILE 38 0.989 0.124 0.639 313 HG23 ILE 38 HG23 ILE 38 0.998 0.080 -1.118 314 HD11 ILE 38 HD11 ILE 38 -1.721 -0.130 2.107 315 HD12 ILE 38 HD12 ILE 38 -2.254 1.387 1.319 316 HD13 ILE 38 HD13 ILE 38 -0.540 0.988 1.405 317 H VAL 39 H VAL 39 1.281 -1.986 -2.971 318 HA VAL 39 HA VAL 39 2.251 -4.530 -1.887 319 HB VAL 39 HB VAL 39 2.657 -3.349 -4.653 320 HG11 VAL 39 HG11 VAL 39 4.611 -4.542 -3.959 321 HG12 VAL 39 HG12 VAL 39 3.776 -5.460 -5.214 322 HG13 VAL 39 HG13 VAL 39 3.650 -5.958 -3.519 323 HG21 VAL 39 HG21 VAL 39 1.367 -5.271 -5.495 324 HG22 VAL 39 HG22 VAL 39 0.409 -4.243 -4.429 325 HG23 VAL 39 HG23 VAL 39 1.054 -5.777 -3.835 326 H ALA 40 H ALA 40 4.157 -4.338 -0.885 327 HA ALA 40 HA ALA 40 5.918 -2.128 -1.638 328 HB1 ALA 40 HB1 ALA 40 6.218 -1.458 0.658 329 HB2 ALA 40 HB2 ALA 40 5.099 -2.711 1.173 330 HB3 ALA 40 HB3 ALA 40 4.512 -1.364 0.203 331 H ARG 41 H ARG 41 8.041 -2.630 -1.405 332 HA ARG 41 HA ARG 41 8.592 -5.178 -0.182 333 HB2 ARG 41 HB2 ARG 41 9.597 -3.895 -2.554 334 HB3 ARG 41 HB3 ARG 41 10.885 -4.543 -1.555 335 HG2 ARG 41 HG2 ARG 41 9.847 -6.672 -1.505 336 HG3 ARG 41 HG3 ARG 41 8.440 -6.100 -2.356 337 HD2 ARG 41 HD2 ARG 41 11.232 -6.245 -3.370 338 HD3 ARG 41 HD3 ARG 41 9.864 -7.364 -3.681 339 HE ARG 41 HE ARG 41 9.193 -4.727 -4.405 340 HH11 ARG 41 HH11 ARG 41 11.076 -7.514 -5.542 341 HH12 ARG 41 HH12 ARG 41 10.826 -7.184 -7.180 342 HH21 ARG 41 HH21 ARG 41 8.862 -4.296 -6.734 343 HH22 ARG 41 HH22 ARG 41 9.581 -5.350 -7.862 344 H LEU 42 H LEU 42 10.172 -5.463 1.172 345 HA LEU 42 HA LEU 42 10.732 -3.179 2.876 346 HB2 LEU 42 HB2 LEU 42 11.650 -6.015 3.231 347 HB3 LEU 42 HB3 LEU 42 11.547 -4.783 4.432 348 HG LEU 42 HG LEU 42 9.105 -5.949 3.086 349 HD11 LEU 42 HD11 LEU 42 10.214 -6.457 5.831 350 HD12 LEU 42 HD12 LEU 42 10.108 -7.638 4.515 351 HD13 LEU 42 HD13 LEU 42 8.650 -7.001 5.253 352 HD21 LEU 42 HD21 LEU 42 9.368 -4.049 5.418 353 HD22 LEU 42 HD22 LEU 42 7.865 -4.758 4.834 354 HD23 LEU 42 HD23 LEU 42 8.768 -3.645 3.810 355 H LYS 43 H LYS 43 12.816 -2.590 3.492 356 HA LYS 43 HA LYS 43 14.774 -2.668 1.395 357 HB2 LYS 43 HB2 LYS 43 14.921 -1.520 4.182 358 HB3 LYS 43 HB3 LYS 43 16.101 -1.285 2.904 359 HG2 LYS 43 HG2 LYS 43 14.456 -0.107 1.577 360 HG3 LYS 43 HG3 LYS 43 13.235 -0.373 2.827 361 HD2 LYS 43 HD2 LYS 43 14.166 1.876 2.968 362 HD3 LYS 43 HD3 LYS 43 14.587 0.932 4.400 363 HE2 LYS 43 HE2 LYS 43 16.796 0.492 3.469 364 HE3 LYS 43 HE3 LYS 43 16.359 1.380 2.011 365 HZ1 LYS 43 HZ1 LYS 43 16.158 3.384 3.367 366 HZ2 LYS 43 HZ2 LYS 43 17.692 2.717 3.531 367 HZ3 LYS 43 HZ3 LYS 43 16.557 2.519 4.754 368 H ASN 44 H ASN 44 14.717 -3.676 4.791 369 HA ASN 44 HA ASN 44 17.346 -4.813 4.590 370 HB2 ASN 44 HB2 ASN 44 16.513 -3.730 6.661 371 HB3 ASN 44 HB3 ASN 44 15.355 -5.037 6.855 372 HD21 ASN 44 HD21 ASN 44 18.744 -5.372 5.789 373 HD22 ASN 44 HD22 ASN 44 19.233 -6.273 7.163 374 H ASN 45 H ASN 45 14.093 -5.986 4.573 375 HA ASN 45 HA ASN 45 14.973 -8.788 4.694 376 HB2 ASN 45 HB2 ASN 45 12.837 -7.821 5.795 377 HB3 ASN 45 HB3 ASN 45 12.164 -7.862 4.170 378 HD21 ASN 45 HD21 ASN 45 11.085 -9.296 6.307 379 HD22 ASN 45 HD22 ASN 45 11.301 -10.972 6.029 380 H ASN 46 H ASN 46 13.676 -6.409 2.423 381 HA ASN 46 HA ASN 46 13.478 -6.270 0.180 382 HB2 ASN 46 HB2 ASN 46 15.779 -7.314 0.112 383 HB3 ASN 46 HB3 ASN 46 15.020 -8.896 0.033 384 HD21 ASN 46 HD21 ASN 46 14.159 -9.588 -1.939 385 HD22 ASN 46 HD22 ASN 46 14.390 -8.709 -3.401 386 H ARG 47 H ARG 47 11.884 -8.292 2.027 387 HA ARG 47 HA ARG 47 10.532 -9.868 0.086 388 HB2 ARG 47 HB2 ARG 47 10.029 -9.245 2.932 389 HB3 ARG 47 HB3 ARG 47 8.878 -10.198 2.063 390 HG2 ARG 47 HG2 ARG 47 10.827 -11.728 1.535 391 HG3 ARG 47 HG3 ARG 47 11.715 -10.811 2.763 392 HD2 ARG 47 HD2 ARG 47 10.750 -12.681 3.884 393 HD3 ARG 47 HD3 ARG 47 9.852 -11.245 4.319 394 HE ARG 47 HE ARG 47 8.604 -12.382 2.093 395 HH11 ARG 47 HH11 ARG 47 9.030 -13.073 5.530 396 HH12 ARG 47 HH12 ARG 47 7.543 -13.908 5.664 397 HH21 ARG 47 HH21 ARG 47 6.622 -13.541 2.300 398 HH22 ARG 47 HH22 ARG 47 6.154 -14.175 3.811 399 H GLN 48 H GLN 48 8.627 -9.734 -0.755 400 HA GLN 48 HA GLN 48 7.527 -7.062 -0.954 401 HB2 GLN 48 HB2 GLN 48 8.162 -8.475 -2.961 402 HB3 GLN 48 HB3 GLN 48 6.872 -9.573 -2.497 403 HG2 GLN 48 HG2 GLN 48 5.299 -7.687 -2.681 404 HG3 GLN 48 HG3 GLN 48 6.633 -6.712 -3.251 405 HE21 GLN 48 HE21 GLN 48 4.552 -9.369 -4.053 406 HE22 GLN 48 HE22 GLN 48 4.873 -9.405 -5.741 407 H VAL 49 H VAL 49 5.850 -6.594 0.267 408 HA VAL 49 HA VAL 49 4.034 -8.756 1.010 409 HB VAL 49 HB VAL 49 3.676 -7.694 3.218 410 HG11 VAL 49 HG11 VAL 49 5.778 -8.362 4.290 411 HG12 VAL 49 HG12 VAL 49 6.558 -8.415 2.710 412 HG13 VAL 49 HG13 VAL 49 5.251 -9.534 3.086 413 HG21 VAL 49 HG21 VAL 49 4.319 -5.395 2.668 414 HG22 VAL 49 HG22 VAL 49 5.996 -5.899 2.465 415 HG23 VAL 49 HG23 VAL 49 5.239 -5.982 4.055 416 H CYS 50 H CYS 50 1.889 -8.037 1.428 417 HA CYS 50 HA CYS 50 1.223 -5.704 -0.156 418 HB2 CYS 50 HB2 CYS 50 -0.682 -7.688 1.136 419 HB3 CYS 50 HB3 CYS 50 -1.028 -6.499 -0.085 420 H ILE 51 H ILE 51 0.202 -3.976 0.755 421 HA ILE 51 HA ILE 51 0.264 -4.000 3.670 422 HB ILE 51 HB ILE 51 0.731 -1.591 1.878 423 HG12 ILE 51 HG12 ILE 51 2.520 -3.299 3.547 424 HG13 ILE 51 HG13 ILE 51 2.605 -3.033 1.825 425 HG21 ILE 51 HG21 ILE 51 -0.407 -0.958 3.937 426 HG22 ILE 51 HG22 ILE 51 1.264 -0.398 3.926 427 HG23 ILE 51 HG23 ILE 51 0.816 -1.819 4.866 428 HD11 ILE 51 HD11 ILE 51 3.200 -0.695 2.145 429 HD12 ILE 51 HD12 ILE 51 4.354 -1.752 2.957 430 HD13 ILE 51 HD13 ILE 51 3.123 -0.905 3.896 431 H ASP 52 H ASP 52 -1.315 -3.265 4.789 432 HA ASP 52 HA ASP 52 -3.921 -3.188 3.744 433 HB2 ASP 52 HB2 ASP 52 -3.510 -4.031 5.754 434 HB3 ASP 52 HB3 ASP 52 -2.666 -2.624 6.402 435 HA PRO 53 HA PRO 53 -3.741 1.095 2.581 436 HB2 PRO 53 HB2 PRO 53 -6.222 1.307 1.605 437 HB3 PRO 53 HB3 PRO 53 -4.941 0.437 0.750 438 HG2 PRO 53 HG2 PRO 53 -7.164 -0.624 2.436 439 HG3 PRO 53 HG3 PRO 53 -6.528 -1.229 0.891 440 HD2 PRO 53 HD2 PRO 53 -5.869 -2.310 3.319 441 HD3 PRO 53 HD3 PRO 53 -4.801 -2.347 1.902 442 H LYS 54 H LYS 54 -5.229 0.018 5.332 443 HA LYS 54 HA LYS 54 -6.212 2.712 5.730 444 HB2 LYS 54 HB2 LYS 54 -7.913 1.760 7.431 445 HB3 LYS 54 HB3 LYS 54 -8.225 1.288 5.752 446 HG2 LYS 54 HG2 LYS 54 -8.675 -0.487 7.006 447 HG3 LYS 54 HG3 LYS 54 -6.986 -0.785 6.577 448 HD2 LYS 54 HD2 LYS 54 -6.208 -0.035 8.665 449 HD3 LYS 54 HD3 LYS 54 -7.781 0.624 9.106 450 HE2 LYS 54 HE2 LYS 54 -7.606 -1.401 10.232 451 HE3 LYS 54 HE3 LYS 54 -8.677 -1.473 8.796 452 HZ1 LYS 54 HZ1 LYS 54 -7.272 -3.511 8.929 453 HZ2 LYS 54 HZ2 LYS 54 -5.916 -2.533 8.908 454 HZ3 LYS 54 HZ3 LYS 54 -6.863 -2.611 7.554 455 H LEU 55 H LEU 55 -3.677 1.007 6.322 456 HA LEU 55 HA LEU 55 -3.112 1.228 9.003 457 HB2 LEU 55 HB2 LEU 55 -1.447 1.384 6.577 458 HB3 LEU 55 HB3 LEU 55 -0.693 1.784 8.089 459 HG LEU 55 HG LEU 55 -1.991 -0.888 7.437 460 HD11 LEU 55 HD11 LEU 55 0.911 -0.081 7.676 461 HD12 LEU 55 HD12 LEU 55 0.071 -0.416 6.162 462 HD13 LEU 55 HD13 LEU 55 0.294 -1.705 7.343 463 HD21 LEU 55 HD21 LEU 55 -2.015 -0.324 9.845 464 HD22 LEU 55 HD22 LEU 55 -0.277 -0.014 9.742 465 HD23 LEU 55 HD23 LEU 55 -0.889 -1.632 9.465 466 H LYS 56 H LYS 56 -2.487 2.710 10.279 467 HA LYS 56 HA LYS 56 -3.344 5.287 9.884 468 HB2 LYS 56 HB2 LYS 56 -2.077 5.849 12.030 469 HB3 LYS 56 HB3 LYS 56 -3.369 4.674 12.095 470 HG2 LYS 56 HG2 LYS 56 -1.624 3.926 13.476 471 HG3 LYS 56 HG3 LYS 56 -1.630 2.875 12.075 472 HD2 LYS 56 HD2 LYS 56 0.316 4.099 11.164 473 HD3 LYS 56 HD3 LYS 56 0.255 5.181 12.561 474 HE2 LYS 56 HE2 LYS 56 0.705 3.319 14.056 475 HE3 LYS 56 HE3 LYS 56 0.711 2.205 12.699 476 HZ1 LYS 56 HZ1 LYS 56 2.726 3.258 11.856 477 HZ2 LYS 56 HZ2 LYS 56 2.935 2.845 13.450 478 HZ3 LYS 56 HZ3 LYS 56 2.647 4.446 13.056 479 H TRP 57 H TRP 57 -0.103 4.115 9.340 480 HA TRP 57 HA TRP 57 0.746 6.833 8.846 481 HB2 TRP 57 HB2 TRP 57 2.951 5.961 8.372 482 HB3 TRP 57 HB3 TRP 57 2.357 5.284 9.879 483 HD1 TRP 57 HD1 TRP 57 1.978 2.627 9.917 484 HE1 TRP 57 HE1 TRP 57 2.851 0.773 8.378 485 HE3 TRP 57 HE3 TRP 57 3.374 5.483 5.961 486 HZ2 TRP 57 HZ2 TRP 57 3.996 0.553 5.788 487 HZ3 TRP 57 HZ3 TRP 57 4.353 4.400 3.993 488 HH2 TRP 57 HH2 TRP 57 4.661 2.022 3.897 489 H ILE 58 H ILE 58 -0.379 4.115 7.068 490 HA ILE 58 HA ILE 58 0.415 4.960 4.501 491 HB ILE 58 HB ILE 58 -1.791 3.121 5.454 492 HG12 ILE 58 HG12 ILE 58 0.550 2.310 5.596 493 HG13 ILE 58 HG13 ILE 58 -0.395 1.326 4.496 494 HG21 ILE 58 HG21 ILE 58 -2.223 2.485 3.159 495 HG22 ILE 58 HG22 ILE 58 -1.080 3.733 2.623 496 HG23 ILE 58 HG23 ILE 58 -2.574 4.206 3.446 497 HD11 ILE 58 HD11 ILE 58 1.777 1.729 3.579 498 HD12 ILE 58 HD12 ILE 58 1.579 3.468 3.729 499 HD13 ILE 58 HD13 ILE 58 0.571 2.561 2.599 500 H GLN 59 H GLN 59 -2.295 5.660 6.550 501 HA GLN 59 HA GLN 59 -3.795 7.128 4.719 502 HB2 GLN 59 HB2 GLN 59 -3.552 7.448 7.710 503 HB3 GLN 59 HB3 GLN 59 -4.739 8.291 6.722 504 HG2 GLN 59 HG2 GLN 59 -4.498 5.299 7.006 505 HG3 GLN 59 HG3 GLN 59 -5.702 6.322 7.794 506 HE21 GLN 59 HE21 GLN 59 -4.664 4.932 4.782 507 HE22 GLN 59 HE22 GLN 59 -6.091 5.267 3.887 508 H GLU 60 H GLU 60 -1.151 8.129 6.851 509 HA GLU 60 HA GLU 60 -1.091 10.864 6.145 510 HB2 GLU 60 HB2 GLU 60 1.223 9.070 6.880 511 HB3 GLU 60 HB3 GLU 60 1.235 10.823 6.912 512 HG2 GLU 60 HG2 GLU 60 -0.435 10.795 8.687 513 HG3 GLU 60 HG3 GLU 60 -0.439 9.032 8.639 514 H TYR 61 H TYR 61 0.579 8.042 4.876 515 HA TYR 61 HA TYR 61 2.126 9.096 2.843 516 HB2 TYR 61 HB2 TYR 61 2.227 6.687 3.408 517 HB3 TYR 61 HB3 TYR 61 0.567 6.530 2.956 518 HD1 TYR 61 HD1 TYR 61 3.736 7.677 1.308 519 HD2 TYR 61 HD2 TYR 61 0.068 5.570 1.007 520 HE1 TYR 61 HE1 TYR 61 4.290 7.039 -1.013 521 HE2 TYR 61 HE2 TYR 61 0.563 4.935 -1.257 522 HH TYR 61 HH TYR 61 3.709 5.326 -2.561 523 H LEU 62 H LEU 62 -1.209 8.045 2.688 524 HA LEU 62 HA LEU 62 -1.463 8.796 0.022 525 HB2 LEU 62 HB2 LEU 62 -3.349 7.787 2.050 526 HB3 LEU 62 HB3 LEU 62 -3.912 8.298 0.451 527 HG LEU 62 HG LEU 62 -1.568 6.480 0.617 528 HD11 LEU 62 HD11 LEU 62 -2.962 4.628 0.445 529 HD12 LEU 62 HD12 LEU 62 -4.428 5.642 0.754 530 HD13 LEU 62 HD13 LEU 62 -3.123 5.465 1.986 531 HD21 LEU 62 HD21 LEU 62 -2.164 7.479 -1.505 532 HD22 LEU 62 HD22 LEU 62 -3.803 6.846 -1.320 533 HD23 LEU 62 HD23 LEU 62 -2.449 5.731 -1.507 534 H GLU 63 H GLU 63 -2.240 10.393 3.009 535 HA GLU 63 HA GLU 63 -3.644 12.606 1.913 536 HB2 GLU 63 HB2 GLU 63 -1.646 12.645 4.193 537 HB3 GLU 63 HB3 GLU 63 -2.763 13.943 3.818 538 HG2 GLU 63 HG2 GLU 63 -4.632 12.449 4.302 539 HG3 GLU 63 HG3 GLU 63 -3.486 11.166 4.698 540 H LYS 64 H LYS 64 -0.269 12.046 2.447 541 HA LYS 64 HA LYS 64 0.950 14.303 1.404 542 HB2 LYS 64 HB2 LYS 64 2.155 12.664 2.635 543 HB3 LYS 64 HB3 LYS 64 1.764 11.411 1.472 544 HG2 LYS 64 HG2 LYS 64 3.941 11.921 1.086 545 HG3 LYS 64 HG3 LYS 64 3.063 12.719 -0.178 546 HD2 LYS 64 HD2 LYS 64 3.137 14.868 0.966 547 HD3 LYS 64 HD3 LYS 64 4.011 14.128 2.312 548 HE2 LYS 64 HE2 LYS 64 4.968 14.311 -0.531 549 HE3 LYS 64 HE3 LYS 64 5.514 15.325 0.807 550 HZ1 LYS 64 HZ1 LYS 64 5.867 12.363 0.628 551 HZ2 LYS 64 HZ2 LYS 64 6.378 13.331 1.903 552 HZ3 LYS 64 HZ3 LYS 64 7.064 13.494 0.381 553 H ALA 65 H ALA 65 0.823 11.192 -0.201 554 HA ALA 65 HA ALA 65 1.563 12.022 -2.738 555 HB1 ALA 65 HB1 ALA 65 0.846 9.916 -3.573 556 HB2 ALA 65 HB2 ALA 65 -0.163 9.646 -2.150 557 HB3 ALA 65 HB3 ALA 65 1.602 9.694 -1.987 558 H LEU 66 H LEU 66 -1.757 11.921 -1.447 559 HA LEU 66 HA LEU 66 -2.788 12.459 -4.052 560 HB2 LEU 66 HB2 LEU 66 -4.179 12.528 -1.380 561 HB3 LEU 66 HB3 LEU 66 -4.990 12.808 -2.907 562 HG LEU 66 HG LEU 66 -3.648 10.241 -2.050 563 HD11 LEU 66 HD11 LEU 66 -6.558 10.937 -2.396 564 HD12 LEU 66 HD12 LEU 66 -5.726 10.643 -0.869 565 HD13 LEU 66 HD13 LEU 66 -5.922 9.332 -2.032 566 HD21 LEU 66 HD21 LEU 66 -5.171 10.895 -4.582 567 HD22 LEU 66 HD22 LEU 66 -4.635 9.289 -4.099 568 HD23 LEU 66 HD23 LEU 66 -3.445 10.534 -4.462 569 H ASN 67 H ASN 67 -1.838 14.401 -1.309 570 HA ASN 67 HA ASN 67 -3.000 16.829 -2.310 571 HB2 ASN 67 HB2 ASN 67 -2.481 16.512 0.086 572 HB3 ASN 67 HB3 ASN 67 -0.773 16.384 -0.296 573 HD21 ASN 67 HD21 ASN 67 -0.237 18.107 1.004 574 HD22 ASN 67 HD22 ASN 67 -0.598 19.734 0.604 575 H LYS 68 H LYS 68 -0.051 15.113 -2.698 576 HA LYS 68 HA LYS 68 1.606 17.094 -3.800 577 HB2 LYS 68 HB2 LYS 68 2.366 14.905 -2.868 578 HB3 LYS 68 HB3 LYS 68 1.633 14.121 -4.238 579 HG2 LYS 68 HG2 LYS 68 3.170 15.129 -5.761 580 HG3 LYS 68 HG3 LYS 68 3.858 16.121 -4.473 581 HD2 LYS 68 HD2 LYS 68 4.598 14.163 -3.304 582 HD3 LYS 68 HD3 LYS 68 3.858 13.117 -4.515 583 HE2 LYS 68 HE2 LYS 68 6.093 15.084 -5.026 584 HE3 LYS 68 HE3 LYS 68 6.308 13.349 -4.813 585 HZ1 LYS 68 HZ1 LYS 68 4.770 14.661 -6.997 586 HZ2 LYS 68 HZ2 LYS 68 4.952 12.994 -6.795 587 HZ3 LYS 68 HZ3 LYS 68 6.284 13.968 -7.136 Start of MODEL 6 1 H LYS 1 H LYS 1 0.490 -27.667 -4.540 2 HA LYS 1 HA LYS 1 -0.143 -25.526 -5.526 3 HB2 LYS 1 HB2 LYS 1 -0.002 -25.686 -3.084 4 HB3 LYS 1 HB3 LYS 1 1.709 -25.288 -3.137 5 HG2 LYS 1 HG2 LYS 1 1.145 -23.063 -4.045 6 HG3 LYS 1 HG3 LYS 1 -0.560 -23.473 -3.947 7 HD2 LYS 1 HD2 LYS 1 1.342 -23.371 -1.610 8 HD3 LYS 1 HD3 LYS 1 0.203 -22.096 -2.036 9 HE2 LYS 1 HE2 LYS 1 -1.656 -23.672 -1.695 10 HE3 LYS 1 HE3 LYS 1 -0.504 -24.929 -1.264 11 HZ1 LYS 1 HZ1 LYS 1 -1.479 -23.907 0.670 12 HZ2 LYS 1 HZ2 LYS 1 -0.910 -22.389 0.210 13 HZ3 LYS 1 HZ3 LYS 1 0.173 -23.628 0.638 14 HA PRO 2 HA PRO 2 3.213 -23.944 -8.020 15 HB2 PRO 2 HB2 PRO 2 1.822 -21.987 -9.268 16 HB3 PRO 2 HB3 PRO 2 1.608 -23.689 -9.692 17 HG2 PRO 2 HG2 PRO 2 -0.073 -21.956 -7.929 18 HG3 PRO 2 HG3 PRO 2 -0.587 -23.107 -9.176 19 HD2 PRO 2 HD2 PRO 2 -0.606 -23.702 -6.534 20 HD3 PRO 2 HD3 PRO 2 -0.309 -24.924 -7.786 21 H VAL 3 H VAL 3 4.490 -22.015 -8.064 22 HA VAL 3 HA VAL 3 4.542 -20.522 -5.692 23 HB VAL 3 HB VAL 3 6.580 -20.783 -7.029 24 HG11 VAL 3 HG11 VAL 3 5.272 -19.018 -9.085 25 HG12 VAL 3 HG12 VAL 3 5.685 -20.721 -9.273 26 HG13 VAL 3 HG13 VAL 3 6.962 -19.515 -9.101 27 HG21 VAL 3 HG21 VAL 3 7.426 -18.490 -6.955 28 HG22 VAL 3 HG22 VAL 3 6.478 -18.889 -5.519 29 HG23 VAL 3 HG23 VAL 3 5.774 -17.893 -6.790 30 H SER 4 H SER 4 3.304 -19.714 -8.875 31 HA SER 4 HA SER 4 2.118 -17.348 -7.779 32 HB2 SER 4 HB2 SER 4 1.526 -16.942 -10.214 33 HB3 SER 4 HB3 SER 4 3.249 -16.966 -9.850 34 HG SER 4 HG SER 4 2.171 -18.254 -11.686 35 H LEU 5 H LEU 5 0.449 -18.027 -6.599 36 HA LEU 5 HA LEU 5 -1.354 -20.039 -7.666 37 HB2 LEU 5 HB2 LEU 5 -0.423 -19.984 -5.259 38 HB3 LEU 5 HB3 LEU 5 -1.478 -18.620 -4.994 39 HG LEU 5 HG LEU 5 -2.411 -21.413 -5.694 40 HD11 LEU 5 HD11 LEU 5 -3.069 -21.564 -3.346 41 HD12 LEU 5 HD12 LEU 5 -2.312 -20.001 -3.044 42 HD13 LEU 5 HD13 LEU 5 -1.325 -21.373 -3.540 43 HD21 LEU 5 HD21 LEU 5 -4.035 -19.682 -6.313 44 HD22 LEU 5 HD22 LEU 5 -3.949 -19.023 -4.678 45 HD23 LEU 5 HD23 LEU 5 -4.608 -20.637 -4.944 46 H SER 6 H SER 6 -3.333 -19.522 -8.403 47 HA SER 6 HA SER 6 -3.762 -16.834 -9.221 48 HB2 SER 6 HB2 SER 6 -4.310 -18.777 -10.635 49 HB3 SER 6 HB3 SER 6 -5.557 -19.249 -9.484 50 HG SER 6 HG SER 6 -5.524 -17.260 -11.388 51 H TYR 7 H TYR 7 -5.065 -15.295 -8.371 52 HA TYR 7 HA TYR 7 -7.125 -16.012 -6.456 53 HB2 TYR 7 HB2 TYR 7 -5.001 -13.896 -6.066 54 HB3 TYR 7 HB3 TYR 7 -6.471 -13.997 -5.128 55 HD1 TYR 7 HD1 TYR 7 -6.827 -16.256 -3.847 56 HD2 TYR 7 HD2 TYR 7 -3.073 -14.924 -5.329 57 HE1 TYR 7 HE1 TYR 7 -5.681 -17.732 -2.254 58 HE2 TYR 7 HE2 TYR 7 -1.918 -16.400 -3.743 59 HH TYR 7 HH TYR 7 -3.457 -18.865 -2.149 60 H ARG 8 H ARG 8 -8.632 -14.116 -6.199 61 HA ARG 8 HA ARG 8 -8.941 -12.839 -8.795 62 HB2 ARG 8 HB2 ARG 8 -11.104 -12.051 -8.032 63 HB3 ARG 8 HB3 ARG 8 -10.938 -13.757 -7.650 64 HG2 ARG 8 HG2 ARG 8 -10.500 -13.244 -5.352 65 HG3 ARG 8 HG3 ARG 8 -10.512 -11.509 -5.714 66 HD2 ARG 8 HD2 ARG 8 -12.864 -11.698 -6.394 67 HD3 ARG 8 HD3 ARG 8 -12.835 -13.422 -6.012 68 HE ARG 8 HE ARG 8 -12.022 -12.036 -3.761 69 HH11 ARG 8 HH11 ARG 8 -14.965 -12.394 -5.699 70 HH12 ARG 8 HH12 ARG 8 -16.029 -12.089 -4.404 71 HH21 ARG 8 HH21 ARG 8 -13.480 -11.583 -1.987 72 HH22 ARG 8 HH22 ARG 8 -15.159 -11.594 -2.236 73 H CYS 9 H CYS 9 -7.982 -12.136 -5.569 74 HA CYS 9 HA CYS 9 -7.556 -9.361 -6.349 75 HB2 CYS 9 HB2 CYS 9 -7.640 -10.471 -3.522 76 HB3 CYS 9 HB3 CYS 9 -7.590 -8.814 -4.019 77 HA PRO 10 HA PRO 10 -3.169 -10.276 -6.560 78 HB2 PRO 10 HB2 PRO 10 -3.067 -7.539 -5.298 79 HB3 PRO 10 HB3 PRO 10 -2.153 -8.202 -6.658 80 HG2 PRO 10 HG2 PRO 10 -4.195 -6.623 -7.089 81 HG3 PRO 10 HG3 PRO 10 -3.959 -8.066 -8.097 82 HD2 PRO 10 HD2 PRO 10 -5.946 -7.604 -5.897 83 HD3 PRO 10 HD3 PRO 10 -6.121 -8.508 -7.406 84 H CYS 11 H CYS 11 -4.619 -9.317 -3.519 85 HA CYS 11 HA CYS 11 -2.512 -10.819 -2.140 86 HB2 CYS 11 HB2 CYS 11 -3.593 -8.151 -1.239 87 HB3 CYS 11 HB3 CYS 11 -2.626 -9.218 -0.239 88 H ARG 12 H ARG 12 -3.150 -12.124 -0.534 89 HA ARG 12 HA ARG 12 -5.994 -12.495 -0.038 90 HB2 ARG 12 HB2 ARG 12 -4.405 -14.434 -0.181 91 HB3 ARG 12 HB3 ARG 12 -3.607 -13.818 1.267 92 HG2 ARG 12 HG2 ARG 12 -5.850 -13.980 2.415 93 HG3 ARG 12 HG3 ARG 12 -6.404 -14.876 1.009 94 HD2 ARG 12 HD2 ARG 12 -4.153 -15.605 2.850 95 HD3 ARG 12 HD3 ARG 12 -5.738 -16.367 2.784 96 HE ARG 12 HE ARG 12 -3.825 -16.451 0.548 97 HH11 ARG 12 HH11 ARG 12 -6.161 -18.091 2.658 98 HH12 ARG 12 HH12 ARG 12 -5.824 -19.648 2.080 99 HH21 ARG 12 HH21 ARG 12 -3.329 -18.616 -0.222 100 HH22 ARG 12 HH22 ARG 12 -4.162 -19.962 0.421 101 H PHE 13 H PHE 13 -3.074 -11.835 1.825 102 HA PHE 13 HA PHE 13 -4.684 -10.462 3.848 103 HB2 PHE 13 HB2 PHE 13 -3.062 -11.270 5.539 104 HB3 PHE 13 HB3 PHE 13 -3.888 -12.598 4.736 105 HD1 PHE 13 HD1 PHE 13 -2.662 -14.066 3.199 106 HD2 PHE 13 HD2 PHE 13 -0.690 -10.908 5.266 107 HE1 PHE 13 HE1 PHE 13 -0.487 -15.066 2.645 108 HE2 PHE 13 HE2 PHE 13 1.492 -11.906 4.714 109 HZ PHE 13 HZ PHE 13 1.596 -13.986 3.402 110 H PHE 14 H PHE 14 -3.301 -8.965 5.141 111 HA PHE 14 HA PHE 14 -1.130 -7.625 3.599 112 HB2 PHE 14 HB2 PHE 14 -3.364 -6.296 5.074 113 HB3 PHE 14 HB3 PHE 14 -2.126 -5.501 4.117 114 HD1 PHE 14 HD1 PHE 14 -2.281 -5.636 1.635 115 HD2 PHE 14 HD2 PHE 14 -5.358 -7.102 4.160 116 HE1 PHE 14 HE1 PHE 14 -3.835 -5.616 -0.259 117 HE2 PHE 14 HE2 PHE 14 -6.925 -7.094 2.287 118 HZ PHE 14 HZ PHE 14 -6.178 -6.352 0.061 119 H GLU 15 H GLU 15 0.414 -6.738 4.899 120 HA GLU 15 HA GLU 15 0.557 -7.612 7.603 121 HB2 GLU 15 HB2 GLU 15 2.185 -5.615 6.023 122 HB3 GLU 15 HB3 GLU 15 2.549 -6.088 7.670 123 HG2 GLU 15 HG2 GLU 15 2.424 -7.930 5.348 124 HG3 GLU 15 HG3 GLU 15 3.914 -7.174 5.933 125 H SER 16 H SER 16 -0.159 -6.592 9.278 126 HA SER 16 HA SER 16 -1.347 -3.943 8.880 127 HB2 SER 16 HB2 SER 16 -1.889 -5.976 11.052 128 HB3 SER 16 HB3 SER 16 -2.747 -4.441 10.830 129 HG SER 16 HG SER 16 -2.571 -5.889 8.582 130 H HIS 17 H HIS 17 1.392 -5.201 9.818 131 HA HIS 17 HA HIS 17 2.063 -2.871 11.459 132 HB2 HIS 17 HB2 HIS 17 1.911 -4.855 12.963 133 HB3 HIS 17 HB3 HIS 17 3.079 -5.685 11.942 134 HD1 HIS 17 HD1 HIS 17 5.506 -5.266 12.419 135 HD2 HIS 17 HD2 HIS 17 3.008 -2.545 14.321 136 HE1 HIS 17 HE1 HIS 17 6.981 -3.924 13.893 137 HE2 HIS 17 HE2 HIS 17 5.497 -2.101 14.776 138 H VAL 18 H VAL 18 3.020 -1.777 9.906 139 HA VAL 18 HA VAL 18 5.334 -3.018 8.637 140 HB VAL 18 HB VAL 18 3.417 -1.209 7.153 141 HG11 VAL 18 HG11 VAL 18 4.651 -1.910 5.132 142 HG12 VAL 18 HG12 VAL 18 5.738 -2.852 6.147 143 HG13 VAL 18 HG13 VAL 18 5.690 -1.096 6.304 144 HG21 VAL 18 HG21 VAL 18 2.316 -3.341 7.567 145 HG22 VAL 18 HG22 VAL 18 3.687 -4.197 6.867 146 HG23 VAL 18 HG23 VAL 18 2.694 -3.156 5.856 147 H ALA 19 H ALA 19 6.970 -1.433 8.074 148 HA ALA 19 HA ALA 19 6.626 1.148 9.421 149 HB1 ALA 19 HB1 ALA 19 9.056 1.130 9.756 150 HB2 ALA 19 HB2 ALA 19 9.148 -0.427 8.943 151 HB3 ALA 19 HB3 ALA 19 8.298 -0.287 10.480 152 H ARG 20 H ARG 20 7.042 2.962 8.313 153 HA ARG 20 HA ARG 20 6.998 3.003 5.472 154 HB2 ARG 20 HB2 ARG 20 5.995 4.765 6.856 155 HB3 ARG 20 HB3 ARG 20 7.570 5.163 7.501 156 HG2 ARG 20 HG2 ARG 20 6.813 6.826 5.892 157 HG3 ARG 20 HG3 ARG 20 8.269 6.015 5.325 158 HD2 ARG 20 HD2 ARG 20 6.992 4.691 3.763 159 HD3 ARG 20 HD3 ARG 20 5.479 5.258 4.459 160 HE ARG 20 HE ARG 20 6.506 7.550 3.727 161 HH11 ARG 20 HH11 ARG 20 6.459 4.540 1.883 162 HH12 ARG 20 HH12 ARG 20 6.348 5.311 0.362 163 HH21 ARG 20 HH21 ARG 20 6.306 8.595 1.688 164 HH22 ARG 20 HH22 ARG 20 6.245 7.724 0.245 165 H ALA 21 H ALA 21 9.535 3.328 7.853 166 HA ALA 21 HA ALA 21 11.539 4.075 5.929 167 HB1 ALA 21 HB1 ALA 21 11.606 4.950 8.213 168 HB2 ALA 21 HB2 ALA 21 13.070 4.052 7.815 169 HB3 ALA 21 HB3 ALA 21 11.831 3.315 8.832 170 H ASN 22 H ASN 22 10.129 1.167 6.785 171 HA ASN 22 HA ASN 22 12.594 -0.380 6.470 172 HB2 ASN 22 HB2 ASN 22 10.981 -1.062 8.240 173 HB3 ASN 22 HB3 ASN 22 9.791 -1.406 6.984 174 HD21 ASN 22 HD21 ASN 22 9.638 -3.539 7.488 175 HD22 ASN 22 HD22 ASN 22 10.903 -4.678 7.218 176 H VAL 23 H VAL 23 9.683 0.456 4.694 177 HA VAL 23 HA VAL 23 10.164 -1.514 2.719 178 HB VAL 23 HB VAL 23 8.298 -0.469 1.550 179 HG11 VAL 23 HG11 VAL 23 7.796 -1.026 4.465 180 HG12 VAL 23 HG12 VAL 23 7.837 -2.211 3.163 181 HG13 VAL 23 HG13 VAL 23 6.546 -1.012 3.220 182 HG21 VAL 23 HG21 VAL 23 8.592 1.860 2.202 183 HG22 VAL 23 HG22 VAL 23 8.211 1.456 3.874 184 HG23 VAL 23 HG23 VAL 23 6.969 1.317 2.633 185 H LYS 24 H LYS 24 10.982 -1.232 0.743 186 HA LYS 24 HA LYS 24 12.655 1.135 0.250 187 HB2 LYS 24 HB2 LYS 24 13.483 -0.072 -1.665 188 HB3 LYS 24 HB3 LYS 24 13.619 -1.073 -0.237 189 HG2 LYS 24 HG2 LYS 24 11.933 -2.529 -0.915 190 HG3 LYS 24 HG3 LYS 24 11.231 -1.349 -2.014 191 HD2 LYS 24 HD2 LYS 24 13.865 -2.786 -2.419 192 HD3 LYS 24 HD3 LYS 24 12.320 -3.142 -3.221 193 HE2 LYS 24 HE2 LYS 24 12.278 -0.844 -4.094 194 HE3 LYS 24 HE3 LYS 24 13.821 -0.533 -3.437 195 HZ1 LYS 24 HZ1 LYS 24 14.063 -1.116 -5.733 196 HZ2 LYS 24 HZ2 LYS 24 13.313 -2.602 -5.513 197 HZ3 LYS 24 HZ3 LYS 24 14.818 -2.282 -4.808 198 H HIS 25 H HIS 25 9.775 -0.341 -0.818 199 HA HIS 25 HA HIS 25 9.244 1.815 -2.658 200 HB2 HIS 25 HB2 HIS 25 10.596 0.366 -3.988 201 HB3 HIS 25 HB3 HIS 25 9.719 -1.045 -3.459 202 HD1 HIS 25 HD1 HIS 25 8.121 2.119 -4.939 203 HD2 HIS 25 HD2 HIS 25 8.884 -1.853 -5.770 204 HE1 HIS 25 HE1 HIS 25 6.820 1.656 -7.019 205 HE2 HIS 25 HE2 HIS 25 7.453 -0.681 -7.658 206 H LEU 26 H LEU 26 7.236 2.300 -2.398 207 HA LEU 26 HA LEU 26 5.353 0.351 -1.311 208 HB2 LEU 26 HB2 LEU 26 5.866 2.601 -0.195 209 HB3 LEU 26 HB3 LEU 26 5.171 3.367 -1.598 210 HG LEU 26 HG LEU 26 3.685 3.390 0.353 211 HD11 LEU 26 HD11 LEU 26 1.673 2.583 -0.665 212 HD12 LEU 26 HD12 LEU 26 2.622 1.710 -1.882 213 HD13 LEU 26 HD13 LEU 26 2.681 3.476 -1.808 214 HD21 LEU 26 HD21 LEU 26 3.683 0.400 0.083 215 HD22 LEU 26 HD22 LEU 26 2.647 1.344 1.155 216 HD23 LEU 26 HD23 LEU 26 4.395 1.335 1.397 217 H LYS 27 H LYS 27 3.787 -0.396 -2.725 218 HA LYS 27 HA LYS 27 3.365 1.026 -5.241 219 HB2 LYS 27 HB2 LYS 27 5.016 -0.809 -5.581 220 HB3 LYS 27 HB3 LYS 27 3.900 -1.904 -4.850 221 HG2 LYS 27 HG2 LYS 27 3.913 -2.319 -7.198 222 HG3 LYS 27 HG3 LYS 27 2.356 -1.623 -6.774 223 HD2 LYS 27 HD2 LYS 27 4.626 0.020 -7.886 224 HD3 LYS 27 HD3 LYS 27 3.505 -0.834 -8.933 225 HE2 LYS 27 HE2 LYS 27 1.656 0.476 -8.019 226 HE3 LYS 27 HE3 LYS 27 2.747 1.304 -6.919 227 HZ1 LYS 27 HZ1 LYS 27 2.942 1.391 -9.874 228 HZ2 LYS 27 HZ2 LYS 27 3.927 2.204 -8.792 229 HZ3 LYS 27 HZ3 LYS 27 2.305 2.627 -8.930 230 H ILE 28 H ILE 28 1.152 1.501 -4.904 231 HA ILE 28 HA ILE 28 -0.445 -0.674 -3.794 232 HB ILE 28 HB ILE 28 -1.448 2.114 -4.397 233 HG12 ILE 28 HG12 ILE 28 -0.426 0.948 -1.819 234 HG13 ILE 28 HG13 ILE 28 0.328 2.250 -2.727 235 HG21 ILE 28 HG21 ILE 28 -3.165 0.305 -4.195 236 HG22 ILE 28 HG22 ILE 28 -3.290 1.450 -2.848 237 HG23 ILE 28 HG23 ILE 28 -2.497 -0.097 -2.605 238 HD11 ILE 28 HD11 ILE 28 -0.818 3.111 -0.778 239 HD12 ILE 28 HD12 ILE 28 -2.318 2.355 -1.281 240 HD13 ILE 28 HD13 ILE 28 -1.636 3.677 -2.241 241 H LEU 29 H LEU 29 -1.545 -1.934 -4.976 242 HA LEU 29 HA LEU 29 -1.833 -1.428 -7.835 243 HB2 LEU 29 HB2 LEU 29 -0.638 -3.452 -7.164 244 HB3 LEU 29 HB3 LEU 29 -1.995 -3.914 -6.155 245 HG LEU 29 HG LEU 29 -3.347 -4.437 -8.028 246 HD11 LEU 29 HD11 LEU 29 -2.633 -2.598 -9.540 247 HD12 LEU 29 HD12 LEU 29 -2.543 -4.162 -10.348 248 HD13 LEU 29 HD13 LEU 29 -1.073 -3.394 -9.748 249 HD21 LEU 29 HD21 LEU 29 -0.556 -5.448 -8.465 250 HD22 LEU 29 HD22 LEU 29 -2.027 -6.186 -9.096 251 HD23 LEU 29 HD23 LEU 29 -1.747 -6.114 -7.350 252 H ASN 30 H ASN 30 -3.773 -0.820 -8.539 253 HA ASN 30 HA ASN 30 -6.074 -1.199 -6.811 254 HB2 ASN 30 HB2 ASN 30 -7.279 0.364 -8.262 255 HB3 ASN 30 HB3 ASN 30 -5.743 1.045 -7.779 256 HD21 ASN 30 HD21 ASN 30 -4.142 1.415 -9.324 257 HD22 ASN 30 HD22 ASN 30 -4.463 1.321 -11.006 258 H THR 31 H THR 31 -7.655 -2.561 -7.167 259 HA THR 31 HA THR 31 -7.676 -4.089 -9.666 260 HB THR 31 HB THR 31 -8.242 -5.100 -6.886 261 HG1 THR 31 HG1 THR 31 -5.934 -4.688 -8.253 262 HG21 THR 31 HG21 THR 31 -8.089 -7.334 -7.920 263 HG22 THR 31 HG22 THR 31 -7.805 -6.585 -9.493 264 HG23 THR 31 HG23 THR 31 -9.355 -6.371 -8.683 265 HA PRO 32 HA PRO 32 -11.845 -2.636 -10.499 266 HB2 PRO 32 HB2 PRO 32 -12.294 -5.586 -10.509 267 HB3 PRO 32 HB3 PRO 32 -12.948 -4.367 -11.601 268 HG2 PRO 32 HG2 PRO 32 -10.783 -5.818 -12.256 269 HG3 PRO 32 HG3 PRO 32 -10.969 -4.129 -12.753 270 HD2 PRO 32 HD2 PRO 32 -9.071 -5.289 -10.856 271 HD3 PRO 32 HD3 PRO 32 -9.077 -3.671 -11.576 272 H ASN 33 H ASN 33 -12.078 -5.579 -8.407 273 HA ASN 33 HA ASN 33 -14.196 -4.161 -6.922 274 HB2 ASN 33 HB2 ASN 33 -14.001 -7.132 -7.463 275 HB3 ASN 33 HB3 ASN 33 -15.209 -6.367 -6.443 276 HD21 ASN 33 HD21 ASN 33 -14.133 -6.929 -9.686 277 HD22 ASN 33 HD22 ASN 33 -15.556 -6.346 -10.461 278 H CYS 34 H CYS 34 -11.190 -5.524 -6.751 279 HA CYS 34 HA CYS 34 -11.421 -6.146 -3.921 280 HB2 CYS 34 HB2 CYS 34 -9.014 -6.322 -5.747 281 HB3 CYS 34 HB3 CYS 34 -9.106 -6.945 -4.111 282 H ALA 35 H ALA 35 -11.106 -3.527 -5.771 283 HA ALA 35 HA ALA 35 -10.674 -1.400 -5.476 284 HB1 ALA 35 HB1 ALA 35 -10.243 -2.031 -2.608 285 HB2 ALA 35 HB2 ALA 35 -11.817 -1.783 -3.380 286 HB3 ALA 35 HB3 ALA 35 -10.655 -0.439 -3.298 287 H LEU 36 H LEU 36 -8.459 -2.056 -2.971 288 HA LEU 36 HA LEU 36 -6.333 -1.903 -4.821 289 HB2 LEU 36 HB2 LEU 36 -5.261 0.012 -3.647 290 HB3 LEU 36 HB3 LEU 36 -6.569 0.369 -4.762 291 HG LEU 36 HG LEU 36 -8.029 0.596 -2.671 292 HD11 LEU 36 HD11 LEU 36 -5.349 0.746 -1.308 293 HD12 LEU 36 HD12 LEU 36 -6.569 -0.500 -1.066 294 HD13 LEU 36 HD13 LEU 36 -6.907 1.164 -0.588 295 HD21 LEU 36 HD21 LEU 36 -5.771 2.501 -3.160 296 HD22 LEU 36 HD22 LEU 36 -7.285 2.900 -2.319 297 HD23 LEU 36 HD23 LEU 36 -7.305 2.420 -4.023 298 H GLN 37 H GLN 37 -4.575 -2.833 -4.300 299 HA GLN 37 HA GLN 37 -4.303 -3.801 -1.560 300 HB2 GLN 37 HB2 GLN 37 -3.545 -5.142 -4.164 301 HB3 GLN 37 HB3 GLN 37 -2.796 -5.593 -2.649 302 HG2 GLN 37 HG2 GLN 37 -4.437 -7.197 -2.903 303 HG3 GLN 37 HG3 GLN 37 -5.173 -6.004 -1.850 304 HE21 GLN 37 HE21 GLN 37 -5.856 -4.238 -4.149 305 HE22 GLN 37 HE22 GLN 37 -7.148 -5.094 -4.933 306 H ILE 38 H ILE 38 -2.427 -3.350 -0.592 307 HA ILE 38 HA ILE 38 -0.679 -1.599 -2.121 308 HB ILE 38 HB ILE 38 -0.836 -2.175 0.802 309 HG12 ILE 38 HG12 ILE 38 -1.887 0.236 -0.685 310 HG13 ILE 38 HG13 ILE 38 -2.861 -1.077 -0.031 311 HG21 ILE 38 HG21 ILE 38 1.379 -1.392 0.191 312 HG22 ILE 38 HG22 ILE 38 0.563 -0.054 1.004 313 HG23 ILE 38 HG23 ILE 38 0.719 -0.069 -0.746 314 HD11 ILE 38 HD11 ILE 38 -2.183 -0.484 2.211 315 HD12 ILE 38 HD12 ILE 38 -2.877 0.912 1.346 316 HD13 ILE 38 HD13 ILE 38 -1.129 0.775 1.545 317 H VAL 39 H VAL 39 1.251 -2.348 -2.704 318 HA VAL 39 HA VAL 39 2.249 -4.839 -1.483 319 HB VAL 39 HB VAL 39 2.673 -3.766 -4.293 320 HG11 VAL 39 HG11 VAL 39 4.613 -4.950 -3.557 321 HG12 VAL 39 HG12 VAL 39 3.776 -5.896 -4.771 322 HG13 VAL 39 HG13 VAL 39 3.641 -6.346 -3.068 323 HG21 VAL 39 HG21 VAL 39 1.359 -5.704 -5.046 324 HG22 VAL 39 HG22 VAL 39 0.420 -4.608 -4.027 325 HG23 VAL 39 HG23 VAL 39 1.035 -6.122 -3.361 326 H ALA 40 H ALA 40 4.235 -4.694 -0.561 327 HA ALA 40 HA ALA 40 5.965 -2.506 -1.390 328 HB1 ALA 40 HB1 ALA 40 6.391 -1.796 0.873 329 HB2 ALA 40 HB2 ALA 40 5.230 -2.984 1.473 330 HB3 ALA 40 HB3 ALA 40 4.678 -1.632 0.485 331 H ARG 41 H ARG 41 8.038 -2.971 -1.348 332 HA ARG 41 HA ARG 41 8.811 -5.505 -0.194 333 HB2 ARG 41 HB2 ARG 41 9.557 -4.067 -2.568 334 HB3 ARG 41 HB3 ARG 41 10.957 -4.640 -1.684 335 HG2 ARG 41 HG2 ARG 41 10.171 -6.842 -1.708 336 HG3 ARG 41 HG3 ARG 41 8.611 -6.405 -2.351 337 HD2 ARG 41 HD2 ARG 41 11.288 -6.235 -3.691 338 HD3 ARG 41 HD3 ARG 41 9.937 -7.384 -3.954 339 HE ARG 41 HE ARG 41 8.637 -5.281 -4.560 340 HH11 ARG 41 HH11 ARG 41 12.065 -5.693 -5.402 341 HH12 ARG 41 HH12 ARG 41 11.946 -4.872 -6.872 342 HH21 ARG 41 HH21 ARG 41 8.475 -4.170 -6.620 343 HH22 ARG 41 HH22 ARG 41 9.854 -3.990 -7.594 344 H LEU 42 H LEU 42 10.373 -5.691 1.150 345 HA LEU 42 HA LEU 42 10.931 -3.370 2.796 346 HB2 LEU 42 HB2 LEU 42 12.049 -6.133 3.184 347 HB3 LEU 42 HB3 LEU 42 11.883 -4.866 4.349 348 HG LEU 42 HG LEU 42 9.563 -6.380 3.151 349 HD11 LEU 42 HD11 LEU 42 10.707 -6.415 5.926 350 HD12 LEU 42 HD12 LEU 42 10.765 -7.738 4.744 351 HD13 LEU 42 HD13 LEU 42 9.227 -7.218 5.417 352 HD21 LEU 42 HD21 LEU 42 9.585 -4.187 5.229 353 HD22 LEU 42 HD22 LEU 42 8.172 -5.133 4.754 354 HD23 LEU 42 HD23 LEU 42 8.946 -4.064 3.589 355 H LYS 43 H LYS 43 13.023 -2.651 3.343 356 HA LYS 43 HA LYS 43 14.780 -2.556 1.109 357 HB2 LYS 43 HB2 LYS 43 15.147 -1.484 3.903 358 HB3 LYS 43 HB3 LYS 43 16.184 -1.118 2.533 359 HG2 LYS 43 HG2 LYS 43 14.318 -0.061 1.390 360 HG3 LYS 43 HG3 LYS 43 13.253 -0.460 2.735 361 HD2 LYS 43 HD2 LYS 43 13.942 1.860 2.860 362 HD3 LYS 43 HD3 LYS 43 14.647 0.956 4.200 363 HE2 LYS 43 HE2 LYS 43 16.763 0.827 3.034 364 HE3 LYS 43 HE3 LYS 43 16.051 1.612 1.624 365 HZ1 LYS 43 HZ1 LYS 43 15.702 3.599 2.988 366 HZ2 LYS 43 HZ2 LYS 43 17.317 3.183 2.932 367 HZ3 LYS 43 HZ3 LYS 43 16.429 2.851 4.311 368 H ASN 44 H ASN 44 15.254 -3.796 4.423 369 HA ASN 44 HA ASN 44 17.817 -4.862 3.652 370 HB2 ASN 44 HB2 ASN 44 17.597 -3.966 5.876 371 HB3 ASN 44 HB3 ASN 44 16.292 -5.084 6.249 372 HD21 ASN 44 HD21 ASN 44 19.691 -4.736 5.748 373 HD22 ASN 44 HD22 ASN 44 20.169 -6.238 6.433 374 H ASN 45 H ASN 45 14.658 -6.179 4.294 375 HA ASN 45 HA ASN 45 15.610 -8.920 4.120 376 HB2 ASN 45 HB2 ASN 45 13.621 -8.109 5.526 377 HB3 ASN 45 HB3 ASN 45 12.732 -8.016 4.014 378 HD21 ASN 45 HD21 ASN 45 11.982 -9.639 6.185 379 HD22 ASN 45 HD22 ASN 45 12.148 -11.284 5.707 380 H ASN 46 H ASN 46 13.926 -6.589 2.082 381 HA ASN 46 HA ASN 46 13.408 -6.449 -0.097 382 HB2 ASN 46 HB2 ASN 46 15.724 -7.355 -0.546 383 HB3 ASN 46 HB3 ASN 46 15.063 -8.982 -0.521 384 HD21 ASN 46 HD21 ASN 46 15.713 -9.386 -2.624 385 HD22 ASN 46 HD22 ASN 46 14.953 -8.681 -4.004 386 H ARG 47 H ARG 47 12.076 -8.383 1.942 387 HA ARG 47 HA ARG 47 10.589 -10.108 0.237 388 HB2 ARG 47 HB2 ARG 47 10.330 -9.287 3.066 389 HB3 ARG 47 HB3 ARG 47 9.013 -10.152 2.359 390 HG2 ARG 47 HG2 ARG 47 10.752 -11.910 1.755 391 HG3 ARG 47 HG3 ARG 47 11.813 -11.040 2.875 392 HD2 ARG 47 HD2 ARG 47 10.684 -12.812 4.071 393 HD3 ARG 47 HD3 ARG 47 10.078 -11.241 4.595 394 HE ARG 47 HE ARG 47 8.408 -12.016 2.568 395 HH11 ARG 47 HH11 ARG 47 9.237 -13.367 5.742 396 HH12 ARG 47 HH12 ARG 47 7.703 -14.081 5.952 397 HH21 ARG 47 HH21 ARG 47 6.379 -12.980 2.883 398 HH22 ARG 47 HH22 ARG 47 6.056 -13.863 4.322 399 H GLN 48 H GLN 48 8.611 -9.986 -0.503 400 HA GLN 48 HA GLN 48 7.597 -7.275 -0.783 401 HB2 GLN 48 HB2 GLN 48 8.305 -8.744 -2.758 402 HB3 GLN 48 HB3 GLN 48 6.934 -9.757 -2.346 403 HG2 GLN 48 HG2 GLN 48 5.463 -7.822 -2.653 404 HG3 GLN 48 HG3 GLN 48 6.864 -6.885 -3.108 405 HE21 GLN 48 HE21 GLN 48 6.435 -10.224 -4.058 406 HE22 GLN 48 HE22 GLN 48 6.219 -9.902 -5.729 407 H VAL 49 H VAL 49 5.887 -6.869 0.462 408 HA VAL 49 HA VAL 49 4.089 -9.082 1.150 409 HB VAL 49 HB VAL 49 3.740 -8.080 3.388 410 HG11 VAL 49 HG11 VAL 49 5.861 -8.756 4.416 411 HG12 VAL 49 HG12 VAL 49 6.625 -8.755 2.827 412 HG13 VAL 49 HG13 VAL 49 5.331 -9.901 3.182 413 HG21 VAL 49 HG21 VAL 49 4.351 -5.765 2.890 414 HG22 VAL 49 HG22 VAL 49 6.030 -6.249 2.645 415 HG23 VAL 49 HG23 VAL 49 5.305 -6.371 4.246 416 H CYS 50 H CYS 50 1.985 -8.135 2.052 417 HA CYS 50 HA CYS 50 1.218 -5.920 0.313 418 HB2 CYS 50 HB2 CYS 50 -0.640 -7.865 1.726 419 HB3 CYS 50 HB3 CYS 50 -1.005 -6.711 0.477 420 H ILE 51 H ILE 51 -0.018 -4.237 1.227 421 HA ILE 51 HA ILE 51 0.255 -4.063 4.137 422 HB ILE 51 HB ILE 51 0.576 -1.810 2.144 423 HG12 ILE 51 HG12 ILE 51 2.460 -3.333 3.857 424 HG13 ILE 51 HG13 ILE 51 2.449 -3.273 2.115 425 HG21 ILE 51 HG21 ILE 51 -0.448 -1.040 4.226 426 HG22 ILE 51 HG22 ILE 51 1.216 -0.460 4.077 427 HG23 ILE 51 HG23 ILE 51 0.844 -1.824 5.133 428 HD11 ILE 51 HD11 ILE 51 3.048 -0.910 2.128 429 HD12 ILE 51 HD12 ILE 51 4.254 -1.867 2.985 430 HD13 ILE 51 HD13 ILE 51 3.071 -0.917 3.889 431 H ASP 52 H ASP 52 -1.330 -3.221 5.277 432 HA ASP 52 HA ASP 52 -3.952 -3.256 4.137 433 HB2 ASP 52 HB2 ASP 52 -3.442 -4.260 6.163 434 HB3 ASP 52 HB3 ASP 52 -2.912 -2.764 6.922 435 HA PRO 53 HA PRO 53 -3.882 1.061 3.185 436 HB2 PRO 53 HB2 PRO 53 -6.556 1.394 2.754 437 HB3 PRO 53 HB3 PRO 53 -5.455 0.647 1.593 438 HG2 PRO 53 HG2 PRO 53 -7.297 -0.664 3.556 439 HG3 PRO 53 HG3 PRO 53 -6.983 -1.087 1.862 440 HD2 PRO 53 HD2 PRO 53 -5.875 -2.421 3.908 441 HD3 PRO 53 HD3 PRO 53 -5.010 -2.167 2.375 442 H LYS 54 H LYS 54 -5.379 -0.183 6.005 443 HA LYS 54 HA LYS 54 -6.487 2.399 6.718 444 HB2 LYS 54 HB2 LYS 54 -6.538 -0.152 8.268 445 HB3 LYS 54 HB3 LYS 54 -7.470 1.316 8.582 446 HG2 LYS 54 HG2 LYS 54 -8.418 1.108 6.322 447 HG3 LYS 54 HG3 LYS 54 -7.525 -0.416 6.225 448 HD2 LYS 54 HD2 LYS 54 -9.889 -0.828 6.833 449 HD3 LYS 54 HD3 LYS 54 -8.764 -1.297 8.118 450 HE2 LYS 54 HE2 LYS 54 -9.224 0.804 9.293 451 HE3 LYS 54 HE3 LYS 54 -10.338 1.286 8.015 452 HZ1 LYS 54 HZ1 LYS 54 -11.487 0.425 9.912 453 HZ2 LYS 54 HZ2 LYS 54 -10.638 -1.020 9.852 454 HZ3 LYS 54 HZ3 LYS 54 -11.724 -0.620 8.617 455 H LEU 55 H LEU 55 -3.652 0.971 6.891 456 HA LEU 55 HA LEU 55 -2.660 1.589 9.461 457 HB2 LEU 55 HB2 LEU 55 -1.407 1.373 6.809 458 HB3 LEU 55 HB3 LEU 55 -0.406 1.857 8.123 459 HG LEU 55 HG LEU 55 -1.910 -0.777 7.870 460 HD11 LEU 55 HD11 LEU 55 1.031 -0.153 7.854 461 HD12 LEU 55 HD12 LEU 55 0.054 -0.546 6.435 462 HD13 LEU 55 HD13 LEU 55 0.298 -1.754 7.699 463 HD21 LEU 55 HD21 LEU 55 -1.776 -0.069 10.217 464 HD22 LEU 55 HD22 LEU 55 -0.029 0.161 10.015 465 HD23 LEU 55 HD23 LEU 55 -0.723 -1.447 9.880 466 H LYS 56 H LYS 56 -1.771 3.339 10.342 467 HA LYS 56 HA LYS 56 -2.842 5.819 9.537 468 HB2 LYS 56 HB2 LYS 56 -2.393 5.412 11.898 469 HB3 LYS 56 HB3 LYS 56 -0.665 5.318 11.571 470 HG2 LYS 56 HG2 LYS 56 -0.703 7.668 10.814 471 HG3 LYS 56 HG3 LYS 56 -2.411 7.753 11.228 472 HD2 LYS 56 HD2 LYS 56 -1.890 7.314 13.554 473 HD3 LYS 56 HD3 LYS 56 -0.179 7.136 13.150 474 HE2 LYS 56 HE2 LYS 56 -0.561 9.343 14.066 475 HE3 LYS 56 HE3 LYS 56 -0.141 9.462 12.363 476 HZ1 LYS 56 HZ1 LYS 56 -1.982 10.938 12.915 477 HZ2 LYS 56 HZ2 LYS 56 -2.887 9.655 13.488 478 HZ3 LYS 56 HZ3 LYS 56 -2.530 9.771 11.853 479 H TRP 57 H TRP 57 0.477 4.551 9.280 480 HA TRP 57 HA TRP 57 1.375 7.011 8.164 481 HB2 TRP 57 HB2 TRP 57 3.471 5.890 7.578 482 HB3 TRP 57 HB3 TRP 57 3.024 5.493 9.225 483 HD1 TRP 57 HD1 TRP 57 2.368 2.920 9.699 484 HE1 TRP 57 HE1 TRP 57 2.859 0.794 8.382 485 HE3 TRP 57 HE3 TRP 57 3.663 5.029 5.259 486 HZ2 TRP 57 HZ2 TRP 57 3.701 0.091 5.747 487 HZ3 TRP 57 HZ3 TRP 57 4.304 3.569 3.387 488 HH2 TRP 57 HH2 TRP 57 4.312 1.157 3.632 489 H ILE 58 H ILE 58 -0.163 4.245 6.871 490 HA ILE 58 HA ILE 58 0.327 4.855 4.134 491 HB ILE 58 HB ILE 58 -1.811 3.176 5.477 492 HG12 ILE 58 HG12 ILE 58 0.457 2.245 5.529 493 HG13 ILE 58 HG13 ILE 58 -0.583 1.274 4.522 494 HG21 ILE 58 HG21 ILE 58 -2.407 2.358 3.296 495 HG22 ILE 58 HG22 ILE 58 -1.297 3.519 2.550 496 HG23 ILE 58 HG23 ILE 58 -2.713 4.113 3.441 497 HD11 ILE 58 HD11 ILE 58 1.554 1.526 3.466 498 HD12 ILE 58 HD12 ILE 58 1.408 3.282 3.509 499 HD13 ILE 58 HD13 ILE 58 0.305 2.331 2.518 500 H GLN 59 H GLN 59 -2.174 5.620 6.467 501 HA GLN 59 HA GLN 59 -3.739 7.160 4.744 502 HB2 GLN 59 HB2 GLN 59 -3.346 7.395 7.726 503 HB3 GLN 59 HB3 GLN 59 -4.514 8.346 6.821 504 HG2 GLN 59 HG2 GLN 59 -4.480 5.342 7.064 505 HG3 GLN 59 HG3 GLN 59 -5.579 6.450 7.888 506 HE21 GLN 59 HE21 GLN 59 -4.779 4.939 4.878 507 HE22 GLN 59 HE22 GLN 59 -6.189 5.392 4.021 508 H GLU 60 H GLU 60 -1.039 8.070 6.843 509 HA GLU 60 HA GLU 60 -0.896 10.781 6.151 510 HB2 GLU 60 HB2 GLU 60 1.391 8.899 6.778 511 HB3 GLU 60 HB3 GLU 60 1.490 10.649 6.801 512 HG2 GLU 60 HG2 GLU 60 -0.245 8.966 8.604 513 HG3 GLU 60 HG3 GLU 60 1.300 9.686 9.050 514 H TYR 61 H TYR 61 0.504 7.940 4.584 515 HA TYR 61 HA TYR 61 1.905 9.103 2.479 516 HB2 TYR 61 HB2 TYR 61 2.088 6.676 2.861 517 HB3 TYR 61 HB3 TYR 61 0.398 6.454 2.639 518 HD1 TYR 61 HD1 TYR 61 3.326 7.763 0.672 519 HD2 TYR 61 HD2 TYR 61 -0.355 5.649 0.677 520 HE1 TYR 61 HE1 TYR 61 3.590 7.294 -1.740 521 HE2 TYR 61 HE2 TYR 61 -0.147 5.187 -1.673 522 HH TYR 61 HH TYR 61 2.776 5.637 -3.381 523 H LEU 62 H LEU 62 -1.430 8.064 2.582 524 HA LEU 62 HA LEU 62 -1.984 8.957 -0.007 525 HB2 LEU 62 HB2 LEU 62 -3.666 7.863 2.167 526 HB3 LEU 62 HB3 LEU 62 -4.323 8.328 0.590 527 HG LEU 62 HG LEU 62 -1.938 6.568 0.751 528 HD11 LEU 62 HD11 LEU 62 -3.310 4.701 0.531 529 HD12 LEU 62 HD12 LEU 62 -4.785 5.687 0.796 530 HD13 LEU 62 HD13 LEU 62 -3.518 5.555 2.077 531 HD21 LEU 62 HD21 LEU 62 -2.464 7.538 -1.399 532 HD22 LEU 62 HD22 LEU 62 -4.111 6.899 -1.281 533 HD23 LEU 62 HD23 LEU 62 -2.745 5.795 -1.401 534 H GLU 63 H GLU 63 -2.689 10.241 3.184 535 HA GLU 63 HA GLU 63 -4.247 12.444 2.438 536 HB2 GLU 63 HB2 GLU 63 -2.141 12.285 4.614 537 HB3 GLU 63 HB3 GLU 63 -3.247 13.633 4.426 538 HG2 GLU 63 HG2 GLU 63 -4.047 10.787 4.977 539 HG3 GLU 63 HG3 GLU 63 -3.944 12.064 6.181 540 H LYS 64 H LYS 64 -0.773 12.142 2.718 541 HA LYS 64 HA LYS 64 0.146 14.594 1.834 542 HB2 LYS 64 HB2 LYS 64 1.550 12.828 2.727 543 HB3 LYS 64 HB3 LYS 64 1.225 11.826 1.339 544 HG2 LYS 64 HG2 LYS 64 3.302 12.640 0.929 545 HG3 LYS 64 HG3 LYS 64 2.266 13.625 -0.056 546 HD2 LYS 64 HD2 LYS 64 3.899 15.077 1.023 547 HD3 LYS 64 HD3 LYS 64 2.280 15.439 1.626 548 HE2 LYS 64 HE2 LYS 64 2.758 14.095 3.649 549 HE3 LYS 64 HE3 LYS 64 4.360 13.734 3.010 550 HZ1 LYS 64 HZ1 LYS 64 4.386 15.515 4.638 551 HZ2 LYS 64 HZ2 LYS 64 3.351 16.435 3.689 552 HZ3 LYS 64 HZ3 LYS 64 4.903 16.064 3.127 553 H ALA 65 H ALA 65 0.180 11.704 -0.144 554 HA ALA 65 HA ALA 65 0.545 12.898 -2.619 555 HB1 ALA 65 HB1 ALA 65 0.018 10.780 -3.619 556 HB2 ALA 65 HB2 ALA 65 -0.778 10.244 -2.138 557 HB3 ALA 65 HB3 ALA 65 0.967 10.531 -2.150 558 H LEU 66 H LEU 66 -2.569 12.241 -1.041 559 HA LEU 66 HA LEU 66 -3.865 12.869 -3.508 560 HB2 LEU 66 HB2 LEU 66 -5.092 12.251 -0.828 561 HB3 LEU 66 HB3 LEU 66 -6.013 12.545 -2.291 562 HG LEU 66 HG LEU 66 -4.116 10.237 -1.805 563 HD11 LEU 66 HD11 LEU 66 -7.109 10.312 -2.059 564 HD12 LEU 66 HD12 LEU 66 -6.178 10.003 -0.591 565 HD13 LEU 66 HD13 LEU 66 -6.121 8.857 -1.926 566 HD21 LEU 66 HD21 LEU 66 -5.805 10.866 -4.229 567 HD22 LEU 66 HD22 LEU 66 -4.915 9.371 -3.958 568 HD23 LEU 66 HD23 LEU 66 -4.041 10.886 -4.153 569 H ASN 67 H ASN 67 -2.953 14.631 -0.678 570 HA ASN 67 HA ASN 67 -4.705 16.866 -1.366 571 HB2 ASN 67 HB2 ASN 67 -3.990 16.220 1.031 572 HB3 ASN 67 HB3 ASN 67 -2.402 16.812 0.618 573 HD21 ASN 67 HD21 ASN 67 -3.553 19.161 -0.897 574 HD22 ASN 67 HD22 ASN 67 -4.102 20.229 0.332 575 H LYS 68 H LYS 68 -1.626 15.622 -2.058 576 HA LYS 68 HA LYS 68 -0.226 17.932 -2.906 577 HB2 LYS 68 HB2 LYS 68 0.798 15.800 -2.241 578 HB3 LYS 68 HB3 LYS 68 0.063 15.028 -3.626 579 HG2 LYS 68 HG2 LYS 68 1.417 16.415 -5.114 580 HG3 LYS 68 HG3 LYS 68 2.167 17.185 -3.706 581 HD2 LYS 68 HD2 LYS 68 2.928 15.045 -2.928 582 HD3 LYS 68 HD3 LYS 68 2.190 14.247 -4.315 583 HE2 LYS 68 HE2 LYS 68 3.677 15.522 -5.810 584 HE3 LYS 68 HE3 LYS 68 4.429 16.274 -4.400 585 HZ1 LYS 68 HZ1 LYS 68 4.439 13.389 -5.075 586 HZ2 LYS 68 HZ2 LYS 68 5.093 14.038 -3.665 587 HZ3 LYS 68 HZ3 LYS 68 5.761 14.414 -5.174 Start of MODEL 7 1 H LYS 1 H LYS 1 12.031 -20.168 -6.090 2 HA LYS 1 HA LYS 1 10.386 -20.288 -4.367 3 HB2 LYS 1 HB2 LYS 1 10.625 -17.245 -4.373 4 HB3 LYS 1 HB3 LYS 1 9.379 -18.153 -3.526 5 HG2 LYS 1 HG2 LYS 1 11.081 -19.071 -2.133 6 HG3 LYS 1 HG3 LYS 1 12.312 -18.204 -3.065 7 HD2 LYS 1 HD2 LYS 1 11.129 -16.094 -2.567 8 HD3 LYS 1 HD3 LYS 1 10.046 -17.000 -1.507 9 HE2 LYS 1 HE2 LYS 1 12.970 -16.898 -1.349 10 HE3 LYS 1 HE3 LYS 1 11.893 -15.875 -0.370 11 HZ1 LYS 1 HZ1 LYS 1 12.030 -18.881 -0.256 12 HZ2 LYS 1 HZ2 LYS 1 11.003 -17.885 0.647 13 HZ3 LYS 1 HZ3 LYS 1 12.652 -17.805 0.888 14 HA PRO 2 HA PRO 2 8.195 -19.660 -8.276 15 HB2 PRO 2 HB2 PRO 2 6.557 -21.921 -7.664 16 HB3 PRO 2 HB3 PRO 2 7.874 -21.838 -8.832 17 HG2 PRO 2 HG2 PRO 2 7.911 -23.331 -6.482 18 HG3 PRO 2 HG3 PRO 2 9.335 -22.855 -7.414 19 HD2 PRO 2 HD2 PRO 2 8.218 -21.676 -4.918 20 HD3 PRO 2 HD3 PRO 2 9.903 -21.836 -5.463 21 H VAL 3 H VAL 3 6.789 -18.004 -8.097 22 HA VAL 3 HA VAL 3 4.667 -18.225 -6.113 23 HB VAL 3 HB VAL 3 4.230 -15.825 -6.500 24 HG11 VAL 3 HG11 VAL 3 5.809 -16.445 -4.766 25 HG12 VAL 3 HG12 VAL 3 6.298 -14.928 -5.520 26 HG13 VAL 3 HG13 VAL 3 7.128 -16.430 -5.934 27 HG21 VAL 3 HG21 VAL 3 5.751 -14.465 -7.872 28 HG22 VAL 3 HG22 VAL 3 4.913 -15.667 -8.855 29 HG23 VAL 3 HG23 VAL 3 6.594 -15.922 -8.387 30 H SER 4 H SER 4 2.514 -18.131 -6.664 31 HA SER 4 HA SER 4 1.920 -18.187 -9.521 32 HB2 SER 4 HB2 SER 4 1.931 -20.513 -8.668 33 HB3 SER 4 HB3 SER 4 0.774 -20.060 -7.423 34 HG SER 4 HG SER 4 -0.773 -20.201 -8.813 35 H LEU 5 H LEU 5 0.423 -16.735 -10.027 36 HA LEU 5 HA LEU 5 -0.990 -15.424 -7.879 37 HB2 LEU 5 HB2 LEU 5 0.151 -14.158 -9.778 38 HB3 LEU 5 HB3 LEU 5 -1.035 -14.829 -10.863 39 HG LEU 5 HG LEU 5 -1.451 -12.457 -10.294 40 HD11 LEU 5 HD11 LEU 5 -3.353 -13.774 -10.954 41 HD12 LEU 5 HD12 LEU 5 -3.814 -12.587 -9.729 42 HD13 LEU 5 HD13 LEU 5 -3.611 -14.279 -9.285 43 HD21 LEU 5 HD21 LEU 5 -0.583 -12.420 -8.038 44 HD22 LEU 5 HD22 LEU 5 -1.895 -13.464 -7.491 45 HD23 LEU 5 HD23 LEU 5 -2.243 -11.832 -8.064 46 H SER 6 H SER 6 -2.326 -17.005 -7.226 47 HA SER 6 HA SER 6 -4.298 -18.052 -9.128 48 HB2 SER 6 HB2 SER 6 -3.456 -19.075 -6.410 49 HB3 SER 6 HB3 SER 6 -4.573 -19.876 -7.519 50 HG SER 6 HG SER 6 -2.748 -19.626 -9.042 51 H TYR 7 H TYR 7 -4.168 -15.463 -7.566 52 HA TYR 7 HA TYR 7 -6.626 -15.702 -5.989 53 HB2 TYR 7 HB2 TYR 7 -4.656 -13.415 -6.195 54 HB3 TYR 7 HB3 TYR 7 -6.031 -13.497 -5.111 55 HD1 TYR 7 HD1 TYR 7 -6.011 -15.210 -3.280 56 HD2 TYR 7 HD2 TYR 7 -2.560 -14.331 -5.589 57 HE1 TYR 7 HE1 TYR 7 -4.601 -16.216 -1.536 58 HE2 TYR 7 HE2 TYR 7 -1.131 -15.337 -3.853 59 HH TYR 7 HH TYR 7 -1.277 -15.794 -1.383 60 H ARG 8 H ARG 8 -8.381 -14.273 -6.518 61 HA ARG 8 HA ARG 8 -8.484 -13.514 -9.316 62 HB2 ARG 8 HB2 ARG 8 -10.778 -12.844 -8.882 63 HB3 ARG 8 HB3 ARG 8 -10.470 -14.412 -8.159 64 HG2 ARG 8 HG2 ARG 8 -10.187 -13.344 -5.967 65 HG3 ARG 8 HG3 ARG 8 -10.488 -11.786 -6.719 66 HD2 ARG 8 HD2 ARG 8 -12.514 -12.730 -5.600 67 HD3 ARG 8 HD3 ARG 8 -12.737 -12.429 -7.323 68 HE ARG 8 HE ARG 8 -12.136 -14.921 -7.513 69 HH11 ARG 8 HH11 ARG 8 -14.028 -13.560 -4.845 70 HH12 ARG 8 HH12 ARG 8 -14.935 -14.976 -4.601 71 HH21 ARG 8 HH21 ARG 8 -13.388 -16.844 -7.177 72 HH22 ARG 8 HH22 ARG 8 -14.566 -16.892 -5.968 73 H CYS 9 H CYS 9 -7.574 -12.117 -6.415 74 HA CYS 9 HA CYS 9 -7.452 -9.519 -7.660 75 HB2 CYS 9 HB2 CYS 9 -8.216 -10.113 -4.792 76 HB3 CYS 9 HB3 CYS 9 -7.863 -8.502 -5.417 77 HA PRO 10 HA PRO 10 -3.127 -9.459 -7.356 78 HB2 PRO 10 HB2 PRO 10 -3.726 -7.054 -5.680 79 HB3 PRO 10 HB3 PRO 10 -2.496 -7.275 -6.935 80 HG2 PRO 10 HG2 PRO 10 -4.838 -6.080 -7.471 81 HG3 PRO 10 HG3 PRO 10 -4.021 -7.116 -8.653 82 HD2 PRO 10 HD2 PRO 10 -6.519 -7.636 -7.146 83 HD3 PRO 10 HD3 PRO 10 -5.917 -8.433 -8.593 84 H CYS 11 H CYS 11 -4.640 -8.699 -4.156 85 HA CYS 11 HA CYS 11 -2.822 -10.647 -3.015 86 HB2 CYS 11 HB2 CYS 11 -1.651 -8.412 -2.994 87 HB3 CYS 11 HB3 CYS 11 -2.918 -7.840 -1.923 88 H ARG 12 H ARG 12 -3.382 -11.200 -0.812 89 HA ARG 12 HA ARG 12 -6.040 -10.314 0.026 90 HB2 ARG 12 HB2 ARG 12 -5.132 -13.180 -0.078 91 HB3 ARG 12 HB3 ARG 12 -6.525 -12.650 0.848 92 HG2 ARG 12 HG2 ARG 12 -7.548 -11.812 -1.233 93 HG3 ARG 12 HG3 ARG 12 -6.165 -12.437 -2.135 94 HD2 ARG 12 HD2 ARG 12 -8.048 -13.989 -2.219 95 HD3 ARG 12 HD3 ARG 12 -6.670 -14.684 -1.354 96 HE ARG 12 HE ARG 12 -8.277 -13.500 0.542 97 HH11 ARG 12 HH11 ARG 12 -8.623 -16.172 -1.785 98 HH12 ARG 12 HH12 ARG 12 -9.738 -17.021 -0.815 99 HH21 ARG 12 HH21 ARG 12 -9.783 -14.702 1.834 100 HH22 ARG 12 HH22 ARG 12 -10.405 -16.179 1.270 101 H PHE 13 H PHE 13 -2.886 -11.527 1.008 102 HA PHE 13 HA PHE 13 -3.605 -11.026 3.800 103 HB2 PHE 13 HB2 PHE 13 -1.138 -12.335 2.617 104 HB3 PHE 13 HB3 PHE 13 -1.501 -12.195 4.330 105 HD1 PHE 13 HD1 PHE 13 -2.301 -13.907 1.205 106 HD2 PHE 13 HD2 PHE 13 -3.172 -13.620 5.361 107 HE1 PHE 13 HE1 PHE 13 -3.488 -16.045 1.094 108 HE2 PHE 13 HE2 PHE 13 -4.364 -15.768 5.264 109 HZ PHE 13 HZ PHE 13 -4.527 -16.988 3.130 110 H PHE 14 H PHE 14 -2.901 -9.189 4.715 111 HA PHE 14 HA PHE 14 -0.764 -7.598 3.356 112 HB2 PHE 14 HB2 PHE 14 -3.166 -6.510 4.782 113 HB3 PHE 14 HB3 PHE 14 -2.000 -5.609 3.833 114 HD1 PHE 14 HD1 PHE 14 -2.104 -5.818 1.293 115 HD2 PHE 14 HD2 PHE 14 -5.068 -7.479 3.852 116 HE1 PHE 14 HE1 PHE 14 -3.643 -5.962 -0.587 117 HE2 PHE 14 HE2 PHE 14 -6.614 -7.630 1.973 118 HZ PHE 14 HZ PHE 14 -5.913 -6.874 -0.265 119 H GLU 15 H GLU 15 0.593 -6.490 4.729 120 HA GLU 15 HA GLU 15 0.485 -7.428 7.387 121 HB2 GLU 15 HB2 GLU 15 2.557 -5.926 5.870 122 HB3 GLU 15 HB3 GLU 15 2.639 -5.959 7.625 123 HG2 GLU 15 HG2 GLU 15 2.479 -8.392 7.485 124 HG3 GLU 15 HG3 GLU 15 2.719 -8.256 5.721 125 H SER 16 H SER 16 -0.074 -6.384 9.146 126 HA SER 16 HA SER 16 -1.159 -3.684 8.819 127 HB2 SER 16 HB2 SER 16 -1.834 -5.858 10.805 128 HB3 SER 16 HB3 SER 16 -2.581 -4.261 10.756 129 HG SER 16 HG SER 16 -3.608 -4.740 9.017 130 H HIS 17 H HIS 17 1.652 -4.901 9.791 131 HA HIS 17 HA HIS 17 1.917 -2.887 11.904 132 HB2 HIS 17 HB2 HIS 17 3.088 -5.686 12.025 133 HB3 HIS 17 HB3 HIS 17 3.458 -4.395 13.150 134 HD1 HIS 17 HD1 HIS 17 1.620 -3.771 14.896 135 HD2 HIS 17 HD2 HIS 17 0.640 -6.954 12.408 136 HE1 HIS 17 HE1 HIS 17 -0.396 -4.835 15.923 137 HE2 HIS 17 HE2 HIS 17 -1.078 -6.619 14.297 138 H VAL 18 H VAL 18 2.532 -2.711 9.165 139 HA VAL 18 HA VAL 18 5.265 -3.301 8.698 140 HB VAL 18 HB VAL 18 3.498 -1.406 7.149 141 HG11 VAL 18 HG11 VAL 18 4.967 -1.932 5.219 142 HG12 VAL 18 HG12 VAL 18 5.961 -2.937 6.267 143 HG13 VAL 18 HG13 VAL 18 5.876 -1.198 6.544 144 HG21 VAL 18 HG21 VAL 18 2.416 -3.560 7.302 145 HG22 VAL 18 HG22 VAL 18 3.856 -4.391 6.784 146 HG23 VAL 18 HG23 VAL 18 3.006 -3.328 5.667 147 H ALA 19 H ALA 19 7.005 -1.691 8.354 148 HA ALA 19 HA ALA 19 6.652 0.742 9.957 149 HB1 ALA 19 HB1 ALA 19 9.058 0.600 10.402 150 HB2 ALA 19 HB2 ALA 19 9.161 -0.840 9.390 151 HB3 ALA 19 HB3 ALA 19 8.239 -0.877 10.894 152 H ARG 20 H ARG 20 7.152 2.668 9.065 153 HA ARG 20 HA ARG 20 7.202 2.922 6.255 154 HB2 ARG 20 HB2 ARG 20 6.119 4.591 7.602 155 HB3 ARG 20 HB3 ARG 20 7.610 4.974 8.432 156 HG2 ARG 20 HG2 ARG 20 6.981 6.689 6.806 157 HG3 ARG 20 HG3 ARG 20 8.526 5.942 6.393 158 HD2 ARG 20 HD2 ARG 20 7.416 4.526 4.759 159 HD3 ARG 20 HD3 ARG 20 5.858 5.210 5.209 160 HE ARG 20 HE ARG 20 7.085 7.383 4.491 161 HH11 ARG 20 HH11 ARG 20 7.269 4.218 2.894 162 HH12 ARG 20 HH12 ARG 20 7.405 4.886 1.320 163 HH21 ARG 20 HH21 ARG 20 7.240 8.229 2.347 164 HH22 ARG 20 HH22 ARG 20 7.394 7.199 0.993 165 H ALA 21 H ALA 21 9.770 2.993 8.621 166 HA ALA 21 HA ALA 21 11.680 4.033 6.727 167 HB1 ALA 21 HB1 ALA 21 11.840 4.568 9.127 168 HB2 ALA 21 HB2 ALA 21 13.312 3.809 8.515 169 HB3 ALA 21 HB3 ALA 21 12.167 2.865 9.457 170 H ASN 22 H ASN 22 10.341 1.028 7.244 171 HA ASN 22 HA ASN 22 12.776 -0.418 6.466 172 HB2 ASN 22 HB2 ASN 22 11.491 -1.266 8.422 173 HB3 ASN 22 HB3 ASN 22 10.101 -1.514 7.379 174 HD21 ASN 22 HD21 ASN 22 10.013 -3.684 7.775 175 HD22 ASN 22 HD22 ASN 22 11.152 -4.841 7.222 176 H VAL 23 H VAL 23 10.058 0.950 5.064 177 HA VAL 23 HA VAL 23 9.964 -1.078 2.966 178 HB VAL 23 HB VAL 23 7.805 -0.451 3.939 179 HG11 VAL 23 HG11 VAL 23 6.806 1.751 3.536 180 HG12 VAL 23 HG12 VAL 23 8.341 2.306 2.867 181 HG13 VAL 23 HG13 VAL 23 8.237 1.833 4.562 182 HG21 VAL 23 HG21 VAL 23 8.100 0.428 1.076 183 HG22 VAL 23 HG22 VAL 23 6.582 -0.004 1.863 184 HG23 VAL 23 HG23 VAL 23 7.847 -1.220 1.648 185 H LYS 24 H LYS 24 10.675 -0.769 0.949 186 HA LYS 24 HA LYS 24 12.151 1.709 0.343 187 HB2 LYS 24 HB2 LYS 24 13.019 0.559 -1.576 188 HB3 LYS 24 HB3 LYS 24 13.260 -0.436 -0.156 189 HG2 LYS 24 HG2 LYS 24 11.665 -1.997 -0.792 190 HG3 LYS 24 HG3 LYS 24 10.872 -0.882 -1.897 191 HD2 LYS 24 HD2 LYS 24 13.593 -2.164 -2.316 192 HD3 LYS 24 HD3 LYS 24 12.063 -2.606 -3.101 193 HE2 LYS 24 HE2 LYS 24 11.905 -0.319 -3.993 194 HE3 LYS 24 HE3 LYS 24 13.446 0.057 -3.357 195 HZ1 LYS 24 HZ1 LYS 24 13.695 -0.558 -5.644 196 HZ2 LYS 24 HZ2 LYS 24 12.999 -2.071 -5.387 197 HZ3 LYS 24 HZ3 LYS 24 14.486 -1.677 -4.683 198 H HIS 25 H HIS 25 9.343 -0.022 -0.695 199 HA HIS 25 HA HIS 25 8.558 2.127 -2.445 200 HB2 HIS 25 HB2 HIS 25 10.218 1.079 -3.831 201 HB3 HIS 25 HB3 HIS 25 9.587 -0.494 -3.458 202 HD1 HIS 25 HD1 HIS 25 7.881 2.597 -4.972 203 HD2 HIS 25 HD2 HIS 25 8.493 -1.439 -5.552 204 HE1 HIS 25 HE1 HIS 25 6.460 2.012 -6.965 205 HE2 HIS 25 HE2 HIS 25 7.073 -0.353 -7.480 206 H LEU 26 H LEU 26 6.425 2.167 -2.416 207 HA LEU 26 HA LEU 26 4.981 -0.306 -1.865 208 HB2 LEU 26 HB2 LEU 26 4.041 2.569 -1.716 209 HB3 LEU 26 HB3 LEU 26 3.043 1.175 -1.404 210 HG LEU 26 HG LEU 26 4.575 0.669 0.557 211 HD11 LEU 26 HD11 LEU 26 5.868 2.504 1.486 212 HD12 LEU 26 HD12 LEU 26 5.537 3.474 0.047 213 HD13 LEU 26 HD13 LEU 26 6.489 1.991 -0.082 214 HD21 LEU 26 HD21 LEU 26 2.379 1.611 0.828 215 HD22 LEU 26 HD22 LEU 26 3.016 3.238 0.574 216 HD23 LEU 26 HD23 LEU 26 3.502 2.304 1.996 217 H LYS 27 H LYS 27 3.885 -1.164 -3.462 218 HA LYS 27 HA LYS 27 3.363 0.412 -5.879 219 HB2 LYS 27 HB2 LYS 27 4.994 -1.542 -6.034 220 HB3 LYS 27 HB3 LYS 27 3.675 -2.565 -5.549 221 HG2 LYS 27 HG2 LYS 27 2.404 -1.836 -7.569 222 HG3 LYS 27 HG3 LYS 27 3.854 -0.944 -8.051 223 HD2 LYS 27 HD2 LYS 27 3.783 -3.073 -9.215 224 HD3 LYS 27 HD3 LYS 27 5.130 -3.042 -8.080 225 HE2 LYS 27 HE2 LYS 27 3.837 -4.342 -6.471 226 HE3 LYS 27 HE3 LYS 27 2.443 -4.330 -7.556 227 HZ1 LYS 27 HZ1 LYS 27 5.070 -5.603 -8.074 228 HZ2 LYS 27 HZ2 LYS 27 3.808 -5.531 -9.163 229 HZ3 LYS 27 HZ3 LYS 27 3.616 -6.404 -7.728 230 H ILE 28 H ILE 28 1.270 1.017 -5.426 231 HA ILE 28 HA ILE 28 -0.413 -0.981 -4.156 232 HB ILE 28 HB ILE 28 -1.090 1.920 -4.644 233 HG12 ILE 28 HG12 ILE 28 0.055 0.559 -2.222 234 HG13 ILE 28 HG13 ILE 28 0.893 1.740 -3.212 235 HG21 ILE 28 HG21 ILE 28 -2.989 0.370 -4.262 236 HG22 ILE 28 HG22 ILE 28 -2.797 1.498 -2.911 237 HG23 ILE 28 HG23 ILE 28 -2.223 -0.165 -2.759 238 HD11 ILE 28 HD11 ILE 28 0.128 2.727 -1.132 239 HD12 ILE 28 HD12 ILE 28 -1.520 2.235 -1.468 240 HD13 ILE 28 HD13 ILE 28 -0.737 3.449 -2.491 241 H LEU 29 H LEU 29 -1.794 -2.085 -5.268 242 HA LEU 29 HA LEU 29 -2.359 -1.286 -8.022 243 HB2 LEU 29 HB2 LEU 29 -1.035 -3.367 -7.679 244 HB3 LEU 29 HB3 LEU 29 -2.378 -3.993 -6.740 245 HG LEU 29 HG LEU 29 -3.758 -4.246 -8.653 246 HD11 LEU 29 HD11 LEU 29 -3.206 -2.123 -9.768 247 HD12 LEU 29 HD12 LEU 29 -3.078 -3.474 -10.893 248 HD13 LEU 29 HD13 LEU 29 -1.616 -2.752 -10.205 249 HD21 LEU 29 HD21 LEU 29 -0.943 -5.000 -9.395 250 HD22 LEU 29 HD22 LEU 29 -2.410 -5.694 -10.075 251 HD23 LEU 29 HD23 LEU 29 -2.024 -5.939 -8.370 252 H ASN 30 H ASN 30 -4.372 -0.640 -8.369 253 HA ASN 30 HA ASN 30 -6.360 -1.268 -6.365 254 HB2 ASN 30 HB2 ASN 30 -7.704 0.565 -7.420 255 HB3 ASN 30 HB3 ASN 30 -6.184 1.078 -6.699 256 HD21 ASN 30 HD21 ASN 30 -8.008 0.713 -9.606 257 HD22 ASN 30 HD22 ASN 30 -6.934 1.573 -10.635 258 H THR 31 H THR 31 -7.875 -2.648 -6.587 259 HA THR 31 HA THR 31 -8.612 -3.574 -9.264 260 HB THR 31 HB THR 31 -8.898 -4.936 -6.556 261 HG1 THR 31 HG1 THR 31 -6.875 -4.960 -8.515 262 HG21 THR 31 HG21 THR 31 -9.333 -6.966 -7.861 263 HG22 THR 31 HG22 THR 31 -9.147 -6.049 -9.355 264 HG23 THR 31 HG23 THR 31 -10.490 -5.699 -8.270 265 HA PRO 32 HA PRO 32 -12.541 -1.492 -8.789 266 HB2 PRO 32 HB2 PRO 32 -14.138 -3.713 -9.579 267 HB3 PRO 32 HB3 PRO 32 -13.605 -2.353 -10.566 268 HG2 PRO 32 HG2 PRO 32 -12.449 -5.073 -10.325 269 HG3 PRO 32 HG3 PRO 32 -12.429 -3.958 -11.697 270 HD2 PRO 32 HD2 PRO 32 -10.247 -4.416 -10.239 271 HD3 PRO 32 HD3 PRO 32 -10.600 -2.803 -10.889 272 H ASN 33 H ASN 33 -12.735 -4.891 -7.597 273 HA ASN 33 HA ASN 33 -14.680 -3.920 -5.632 274 HB2 ASN 33 HB2 ASN 33 -14.151 -6.772 -6.519 275 HB3 ASN 33 HB3 ASN 33 -15.309 -6.297 -5.290 276 HD21 ASN 33 HD21 ASN 33 -14.616 -6.356 -8.687 277 HD22 ASN 33 HD22 ASN 33 -16.199 -5.925 -9.219 278 H CYS 34 H CYS 34 -11.640 -5.643 -5.909 279 HA CYS 34 HA CYS 34 -11.536 -6.075 -3.068 280 HB2 CYS 34 HB2 CYS 34 -9.519 -6.636 -5.228 281 HB3 CYS 34 HB3 CYS 34 -9.268 -7.036 -3.534 282 H ALA 35 H ALA 35 -11.132 -3.429 -4.847 283 HA ALA 35 HA ALA 35 -10.414 -1.358 -4.398 284 HB1 ALA 35 HB1 ALA 35 -9.816 -2.511 -1.711 285 HB2 ALA 35 HB2 ALA 35 -11.360 -1.860 -2.259 286 HB3 ALA 35 HB3 ALA 35 -9.959 -0.769 -2.085 287 H LEU 36 H LEU 36 -8.274 -0.404 -2.866 288 HA LEU 36 HA LEU 36 -6.204 -1.351 -4.544 289 HB2 LEU 36 HB2 LEU 36 -4.863 0.578 -3.668 290 HB3 LEU 36 HB3 LEU 36 -6.268 0.948 -4.623 291 HG LEU 36 HG LEU 36 -7.451 1.460 -2.438 292 HD11 LEU 36 HD11 LEU 36 -4.648 1.374 -1.360 293 HD12 LEU 36 HD12 LEU 36 -5.972 0.290 -0.933 294 HD13 LEU 36 HD13 LEU 36 -6.071 2.004 -0.522 295 HD21 LEU 36 HD21 LEU 36 -5.058 3.061 -3.243 296 HD22 LEU 36 HD22 LEU 36 -6.432 3.673 -2.305 297 HD23 LEU 36 HD23 LEU 36 -6.657 3.106 -3.974 298 H GLN 37 H GLN 37 -4.722 -2.580 -4.230 299 HA GLN 37 HA GLN 37 -4.219 -3.623 -1.546 300 HB2 GLN 37 HB2 GLN 37 -3.952 -4.769 -4.313 301 HB3 GLN 37 HB3 GLN 37 -3.347 -5.575 -2.867 302 HG2 GLN 37 HG2 GLN 37 -5.308 -6.187 -2.213 303 HG3 GLN 37 HG3 GLN 37 -6.136 -4.690 -2.686 304 HE21 GLN 37 HE21 GLN 37 -6.755 -4.532 -4.729 305 HE22 GLN 37 HE22 GLN 37 -7.074 -5.845 -5.798 306 H ILE 38 H ILE 38 -2.273 -3.301 -0.745 307 HA ILE 38 HA ILE 38 -0.414 -1.741 -2.363 308 HB ILE 38 HB ILE 38 -0.525 -2.306 0.561 309 HG12 ILE 38 HG12 ILE 38 -1.399 0.185 -0.888 310 HG13 ILE 38 HG13 ILE 38 -2.482 -1.050 -0.257 311 HG21 ILE 38 HG21 ILE 38 1.717 -1.721 -0.067 312 HG22 ILE 38 HG22 ILE 38 1.026 -0.315 0.723 313 HG23 ILE 38 HG23 ILE 38 1.193 -0.363 -1.038 314 HD11 ILE 38 HD11 ILE 38 -1.748 -0.577 1.980 315 HD12 ILE 38 HD12 ILE 38 -2.298 0.908 1.143 316 HD13 ILE 38 HD13 ILE 38 -0.572 0.585 1.332 317 H VAL 39 H VAL 39 1.264 -2.808 -3.167 318 HA VAL 39 HA VAL 39 2.315 -5.134 -1.673 319 HB VAL 39 HB VAL 39 2.652 -4.406 -4.596 320 HG11 VAL 39 HG11 VAL 39 4.609 -5.514 -3.790 321 HG12 VAL 39 HG12 VAL 39 3.721 -6.601 -4.851 322 HG13 VAL 39 HG13 VAL 39 3.643 -6.830 -3.100 323 HG21 VAL 39 HG21 VAL 39 1.304 -6.403 -5.086 324 HG22 VAL 39 HG22 VAL 39 0.403 -5.204 -4.166 325 HG23 VAL 39 HG23 VAL 39 1.038 -6.635 -3.355 326 H ALA 40 H ALA 40 4.171 -4.749 -0.709 327 HA ALA 40 HA ALA 40 5.799 -2.536 -1.727 328 HB1 ALA 40 HB1 ALA 40 6.075 -1.652 0.496 329 HB2 ALA 40 HB2 ALA 40 5.006 -2.902 1.139 330 HB3 ALA 40 HB3 ALA 40 4.374 -1.677 0.044 331 H ARG 41 H ARG 41 7.970 -2.790 -1.543 332 HA ARG 41 HA ARG 41 8.790 -5.245 -0.300 333 HB2 ARG 41 HB2 ARG 41 9.477 -3.914 -2.664 334 HB3 ARG 41 HB3 ARG 41 10.931 -4.067 -1.691 335 HG2 ARG 41 HG2 ARG 41 10.552 -6.406 -1.436 336 HG3 ARG 41 HG3 ARG 41 9.026 -6.316 -2.287 337 HD2 ARG 41 HD2 ARG 41 11.787 -5.885 -3.351 338 HD3 ARG 41 HD3 ARG 41 10.581 -7.181 -3.666 339 HE ARG 41 HE ARG 41 9.462 -4.734 -4.373 340 HH11 ARG 41 HH11 ARG 41 11.945 -6.969 -5.517 341 HH12 ARG 41 HH12 ARG 41 11.765 -6.556 -7.156 342 HH21 ARG 41 HH21 ARG 41 9.229 -4.146 -6.629 343 HH22 ARG 41 HH22 ARG 41 10.183 -4.923 -7.797 344 H LEU 42 H LEU 42 10.261 -5.357 1.138 345 HA LEU 42 HA LEU 42 10.671 -2.978 2.749 346 HB2 LEU 42 HB2 LEU 42 11.655 -5.738 3.273 347 HB3 LEU 42 HB3 LEU 42 11.446 -4.467 4.409 348 HG LEU 42 HG LEU 42 9.104 -5.776 3.010 349 HD11 LEU 42 HD11 LEU 42 10.072 -6.081 5.836 350 HD12 LEU 42 HD12 LEU 42 10.111 -7.321 4.581 351 HD13 LEU 42 HD13 LEU 42 8.567 -6.728 5.177 352 HD21 LEU 42 HD21 LEU 42 9.189 -3.740 5.242 353 HD22 LEU 42 HD22 LEU 42 7.739 -4.523 4.616 354 HD23 LEU 42 HD23 LEU 42 8.672 -3.441 3.579 355 H LYS 43 H LYS 43 12.632 -2.227 3.269 356 HA LYS 43 HA LYS 43 14.633 -2.299 1.237 357 HB2 LYS 43 HB2 LYS 43 14.748 -1.089 3.996 358 HB3 LYS 43 HB3 LYS 43 15.848 -0.777 2.667 359 HG2 LYS 43 HG2 LYS 43 14.092 0.282 1.412 360 HG3 LYS 43 HG3 LYS 43 12.910 -0.100 2.673 361 HD2 LYS 43 HD2 LYS 43 13.624 2.201 2.839 362 HD3 LYS 43 HD3 LYS 43 14.224 1.299 4.231 363 HE2 LYS 43 HE2 LYS 43 16.402 1.061 3.094 364 HE3 LYS 43 HE3 LYS 43 15.776 2.024 1.755 365 HZ1 LYS 43 HZ1 LYS 43 15.477 3.861 3.324 366 HZ2 LYS 43 HZ2 LYS 43 17.087 3.358 3.236 367 HZ3 LYS 43 HZ3 LYS 43 16.166 2.908 4.558 368 H ASN 44 H ASN 44 14.599 -3.094 4.656 369 HA ASN 44 HA ASN 44 17.283 -4.121 4.560 370 HB2 ASN 44 HB2 ASN 44 15.302 -3.933 6.826 371 HB3 ASN 44 HB3 ASN 44 16.937 -4.530 7.011 372 HD21 ASN 44 HD21 ASN 44 17.524 -2.889 8.442 373 HD22 ASN 44 HD22 ASN 44 17.726 -1.257 7.940 374 H ASN 45 H ASN 45 14.139 -5.378 4.480 375 HA ASN 45 HA ASN 45 15.019 -8.075 5.220 376 HB2 ASN 45 HB2 ASN 45 12.802 -7.007 5.972 377 HB3 ASN 45 HB3 ASN 45 12.268 -7.264 4.316 378 HD21 ASN 45 HD21 ASN 45 11.009 -8.355 6.528 379 HD22 ASN 45 HD22 ASN 45 11.191 -10.059 6.501 380 H ASN 46 H ASN 46 13.947 -6.194 2.412 381 HA ASN 46 HA ASN 46 13.816 -6.540 0.251 382 HB2 ASN 46 HB2 ASN 46 15.685 -8.827 0.816 383 HB3 ASN 46 HB3 ASN 46 15.013 -8.601 -0.800 384 HD21 ASN 46 HD21 ASN 46 15.587 -6.825 -1.984 385 HD22 ASN 46 HD22 ASN 46 16.926 -5.828 -1.611 386 H ARG 47 H ARG 47 12.104 -8.122 2.271 387 HA ARG 47 HA ARG 47 10.886 -9.991 0.461 388 HB2 ARG 47 HB2 ARG 47 10.248 -9.036 3.190 389 HB3 ARG 47 HB3 ARG 47 9.108 -10.042 2.369 390 HG2 ARG 47 HG2 ARG 47 11.053 -11.711 2.176 391 HG3 ARG 47 HG3 ARG 47 11.853 -10.673 3.365 392 HD2 ARG 47 HD2 ARG 47 10.670 -12.394 4.575 393 HD3 ARG 47 HD3 ARG 47 9.873 -10.833 4.772 394 HE ARG 47 HE ARG 47 8.894 -12.582 2.678 395 HH11 ARG 47 HH11 ARG 47 8.367 -11.161 5.877 396 HH12 ARG 47 HH12 ARG 47 6.689 -11.459 5.898 397 HH21 ARG 47 HH21 ARG 47 6.581 -12.992 2.709 398 HH22 ARG 47 HH22 ARG 47 5.632 -12.540 4.044 399 H GLN 48 H GLN 48 9.029 -9.855 -0.536 400 HA GLN 48 HA GLN 48 7.952 -7.177 -0.845 401 HB2 GLN 48 HB2 GLN 48 8.887 -8.515 -2.826 402 HB3 GLN 48 HB3 GLN 48 7.586 -9.657 -2.544 403 HG2 GLN 48 HG2 GLN 48 5.973 -7.867 -2.927 404 HG3 GLN 48 HG3 GLN 48 7.312 -6.780 -3.215 405 HE21 GLN 48 HE21 GLN 48 5.552 -9.506 -4.504 406 HE22 GLN 48 HE22 GLN 48 6.168 -9.387 -6.106 407 H VAL 49 H VAL 49 6.121 -6.877 0.242 408 HA VAL 49 HA VAL 49 4.393 -9.171 0.832 409 HB VAL 49 HB VAL 49 4.022 -8.276 3.145 410 HG11 VAL 49 HG11 VAL 49 6.162 -8.962 4.111 411 HG12 VAL 49 HG12 VAL 49 6.919 -8.847 2.522 412 HG13 VAL 49 HG13 VAL 49 5.666 -10.052 2.817 413 HG21 VAL 49 HG21 VAL 49 4.606 -5.930 2.719 414 HG22 VAL 49 HG22 VAL 49 6.289 -6.386 2.463 415 HG23 VAL 49 HG23 VAL 49 5.552 -6.581 4.055 416 H CYS 50 H CYS 50 2.321 -8.140 1.896 417 HA CYS 50 HA CYS 50 1.655 -5.869 0.190 418 HB2 CYS 50 HB2 CYS 50 -0.318 -7.790 1.468 419 HB3 CYS 50 HB3 CYS 50 -0.610 -6.506 0.327 420 H ILE 51 H ILE 51 0.375 -4.238 1.110 421 HA ILE 51 HA ILE 51 0.588 -4.129 4.022 422 HB ILE 51 HB ILE 51 0.824 -1.769 2.136 423 HG12 ILE 51 HG12 ILE 51 2.880 -3.388 3.597 424 HG13 ILE 51 HG13 ILE 51 2.770 -3.047 1.905 425 HG21 ILE 51 HG21 ILE 51 -0.158 -1.192 4.287 426 HG22 ILE 51 HG22 ILE 51 1.479 -0.539 4.154 427 HG23 ILE 51 HG23 ILE 51 1.180 -1.986 5.115 428 HD11 ILE 51 HD11 ILE 51 3.271 -0.688 2.222 429 HD12 ILE 51 HD12 ILE 51 4.555 -1.687 2.907 430 HD13 ILE 51 HD13 ILE 51 3.365 -0.927 3.964 431 H ASP 52 H ASP 52 -1.100 -3.346 5.095 432 HA ASP 52 HA ASP 52 -3.617 -3.427 3.767 433 HB2 ASP 52 HB2 ASP 52 -3.316 -4.423 5.774 434 HB3 ASP 52 HB3 ASP 52 -2.781 -2.962 6.615 435 HA PRO 53 HA PRO 53 -3.679 0.824 2.689 436 HB2 PRO 53 HB2 PRO 53 -6.359 1.089 2.273 437 HB3 PRO 53 HB3 PRO 53 -5.246 0.323 1.137 438 HG2 PRO 53 HG2 PRO 53 -7.051 -0.946 3.156 439 HG3 PRO 53 HG3 PRO 53 -6.748 -1.422 1.474 440 HD2 PRO 53 HD2 PRO 53 -5.585 -2.686 3.527 441 HD3 PRO 53 HD3 PRO 53 -4.724 -2.424 1.995 442 H LYS 54 H LYS 54 -5.509 -0.296 5.469 443 HA LYS 54 HA LYS 54 -6.132 2.481 5.965 444 HB2 LYS 54 HB2 LYS 54 -7.784 1.752 7.632 445 HB3 LYS 54 HB3 LYS 54 -8.130 1.130 6.027 446 HG2 LYS 54 HG2 LYS 54 -8.604 -0.678 7.376 447 HG3 LYS 54 HG3 LYS 54 -6.912 -0.977 6.955 448 HD2 LYS 54 HD2 LYS 54 -7.164 -1.338 9.342 449 HD3 LYS 54 HD3 LYS 54 -6.261 0.158 9.024 450 HE2 LYS 54 HE2 LYS 54 -8.204 1.515 9.475 451 HE3 LYS 54 HE3 LYS 54 -9.213 0.079 9.628 452 HZ1 LYS 54 HZ1 LYS 54 -8.627 1.015 11.741 453 HZ2 LYS 54 HZ2 LYS 54 -6.983 0.842 11.424 454 HZ3 LYS 54 HZ3 LYS 54 -7.966 -0.525 11.584 455 H LEU 55 H LEU 55 -3.593 0.792 6.585 456 HA LEU 55 HA LEU 55 -2.969 1.258 9.283 457 HB2 LEU 55 HB2 LEU 55 -1.366 1.160 6.781 458 HB3 LEU 55 HB3 LEU 55 -0.560 1.613 8.247 459 HG LEU 55 HG LEU 55 -1.976 -1.029 7.753 460 HD11 LEU 55 HD11 LEU 55 0.959 -0.333 7.914 461 HD12 LEU 55 HD12 LEU 55 0.076 -0.725 6.435 462 HD13 LEU 55 HD13 LEU 55 0.278 -1.947 7.690 463 HD21 LEU 55 HD21 LEU 55 -1.978 -0.403 10.125 464 HD22 LEU 55 HD22 LEU 55 -0.239 -0.089 10.015 465 HD23 LEU 55 HD23 LEU 55 -0.828 -1.716 9.796 466 H LYS 56 H LYS 56 -1.926 3.015 10.304 467 HA LYS 56 HA LYS 56 -3.069 5.462 9.490 468 HB2 LYS 56 HB2 LYS 56 -2.804 4.987 11.878 469 HB3 LYS 56 HB3 LYS 56 -1.054 4.991 11.699 470 HG2 LYS 56 HG2 LYS 56 -1.058 7.333 11.140 471 HG3 LYS 56 HG3 LYS 56 -2.815 7.357 11.122 472 HD2 LYS 56 HD2 LYS 56 -2.001 8.349 13.169 473 HD3 LYS 56 HD3 LYS 56 -2.818 6.835 13.528 474 HE2 LYS 56 HE2 LYS 56 -0.661 5.714 13.759 475 HE3 LYS 56 HE3 LYS 56 0.172 7.210 13.327 476 HZ1 LYS 56 HZ1 LYS 56 0.141 6.891 15.725 477 HZ2 LYS 56 HZ2 LYS 56 -1.547 6.819 15.711 478 HZ3 LYS 56 HZ3 LYS 56 -0.747 8.246 15.301 479 H TRP 57 H TRP 57 0.300 4.320 9.465 480 HA TRP 57 HA TRP 57 1.183 6.813 8.417 481 HB2 TRP 57 HB2 TRP 57 3.367 5.803 8.020 482 HB3 TRP 57 HB3 TRP 57 2.778 5.312 9.594 483 HD1 TRP 57 HD1 TRP 57 2.260 2.646 9.908 484 HE1 TRP 57 HE1 TRP 57 2.987 0.634 8.572 485 HE3 TRP 57 HE3 TRP 57 3.827 5.036 5.690 486 HZ2 TRP 57 HZ2 TRP 57 4.105 0.087 6.011 487 HZ3 TRP 57 HZ3 TRP 57 4.721 3.703 3.856 488 HH2 TRP 57 HH2 TRP 57 4.843 1.271 4.002 489 H ILE 58 H ILE 58 -0.217 4.048 7.030 490 HA ILE 58 HA ILE 58 0.510 4.628 4.325 491 HB ILE 58 HB ILE 58 -1.659 2.852 5.484 492 HG12 ILE 58 HG12 ILE 58 0.638 2.064 5.814 493 HG13 ILE 58 HG13 ILE 58 -0.243 1.034 4.695 494 HG21 ILE 58 HG21 ILE 58 -1.937 1.938 3.257 495 HG22 ILE 58 HG22 ILE 58 -0.845 3.165 2.612 496 HG23 ILE 58 HG23 ILE 58 -2.393 3.657 3.320 497 HD11 ILE 58 HD11 ILE 58 2.009 1.406 3.930 498 HD12 ILE 58 HD12 ILE 58 1.746 3.138 3.910 499 HD13 ILE 58 HD13 ILE 58 0.836 2.100 2.814 500 H GLN 59 H GLN 59 -2.262 5.290 6.373 501 HA GLN 59 HA GLN 59 -3.707 6.709 4.458 502 HB2 GLN 59 HB2 GLN 59 -3.679 6.904 7.459 503 HB3 GLN 59 HB3 GLN 59 -4.736 7.893 6.465 504 HG2 GLN 59 HG2 GLN 59 -4.701 4.880 6.515 505 HG3 GLN 59 HG3 GLN 59 -5.879 5.909 7.337 506 HE21 GLN 59 HE21 GLN 59 -4.853 4.614 4.274 507 HE22 GLN 59 HE22 GLN 59 -6.191 5.171 3.358 508 H GLU 60 H GLU 60 -1.119 7.707 6.609 509 HA GLU 60 HA GLU 60 -1.161 10.459 5.936 510 HB2 GLU 60 HB2 GLU 60 1.227 8.763 6.706 511 HB3 GLU 60 HB3 GLU 60 1.148 10.514 6.778 512 HG2 GLU 60 HG2 GLU 60 -0.649 10.303 8.476 513 HG3 GLU 60 HG3 GLU 60 -0.413 8.562 8.451 514 H TYR 61 H TYR 61 0.533 7.681 4.602 515 HA TYR 61 HA TYR 61 2.057 8.892 2.602 516 HB2 TYR 61 HB2 TYR 61 2.411 6.505 3.190 517 HB3 TYR 61 HB3 TYR 61 0.789 6.138 2.740 518 HD1 TYR 61 HD1 TYR 61 3.871 7.556 1.140 519 HD2 TYR 61 HD2 TYR 61 0.370 5.192 0.751 520 HE1 TYR 61 HE1 TYR 61 4.512 6.991 -1.169 521 HE2 TYR 61 HE2 TYR 61 0.941 4.626 -1.512 522 HH TYR 61 HH TYR 61 4.050 5.169 -2.811 523 H LEU 62 H LEU 62 -1.135 7.465 2.358 524 HA LEU 62 HA LEU 62 -1.462 8.269 -0.327 525 HB2 LEU 62 HB2 LEU 62 -3.267 7.080 1.694 526 HB3 LEU 62 HB3 LEU 62 -3.799 7.481 0.057 527 HG LEU 62 HG LEU 62 -1.308 5.913 0.415 528 HD11 LEU 62 HD11 LEU 62 -2.514 3.936 0.199 529 HD12 LEU 62 HD12 LEU 62 -4.078 4.825 0.416 530 HD13 LEU 62 HD13 LEU 62 -2.819 4.790 1.707 531 HD21 LEU 62 HD21 LEU 62 -1.836 6.782 -1.774 532 HD22 LEU 62 HD22 LEU 62 -3.420 5.990 -1.695 533 HD23 LEU 62 HD23 LEU 62 -1.954 5.019 -1.725 534 H GLU 63 H GLU 63 -2.303 9.716 2.710 535 HA GLU 63 HA GLU 63 -4.011 11.643 1.643 536 HB2 GLU 63 HB2 GLU 63 -3.804 11.127 4.041 537 HB3 GLU 63 HB3 GLU 63 -2.181 11.795 4.032 538 HG2 GLU 63 HG2 GLU 63 -3.049 13.965 3.510 539 HG3 GLU 63 HG3 GLU 63 -4.688 13.306 3.427 540 H LYS 64 H LYS 64 -0.473 11.538 2.115 541 HA LYS 64 HA LYS 64 -0.111 14.179 1.083 542 HB2 LYS 64 HB2 LYS 64 2.189 13.886 1.336 543 HB3 LYS 64 HB3 LYS 64 1.483 12.884 2.590 544 HG2 LYS 64 HG2 LYS 64 1.931 10.915 1.411 545 HG3 LYS 64 HG3 LYS 64 2.419 11.824 -0.030 546 HD2 LYS 64 HD2 LYS 64 4.083 12.927 1.284 547 HD3 LYS 64 HD3 LYS 64 3.702 11.879 2.652 548 HE2 LYS 64 HE2 LYS 64 4.263 9.900 1.283 549 HE3 LYS 64 HE3 LYS 64 4.683 10.959 -0.061 550 HZ1 LYS 64 HZ1 LYS 64 6.049 10.834 2.567 551 HZ2 LYS 64 HZ2 LYS 64 6.428 11.931 1.376 552 HZ3 LYS 64 HZ3 LYS 64 6.697 10.288 1.114 553 H ALA 65 H ALA 65 -0.080 10.965 -0.293 554 HA ALA 65 HA ALA 65 0.956 11.659 -2.828 555 HB1 ALA 65 HB1 ALA 65 0.096 9.531 -3.583 556 HB2 ALA 65 HB2 ALA 65 -0.861 9.374 -2.114 557 HB3 ALA 65 HB3 ALA 65 0.908 9.346 -2.021 558 H LEU 66 H LEU 66 -2.317 11.453 -1.564 559 HA LEU 66 HA LEU 66 -3.469 12.145 -4.064 560 HB2 LEU 66 HB2 LEU 66 -4.545 11.991 -1.282 561 HB3 LEU 66 HB3 LEU 66 -5.583 12.450 -2.642 562 HG LEU 66 HG LEU 66 -4.177 9.814 -2.160 563 HD11 LEU 66 HD11 LEU 66 -7.096 10.543 -2.169 564 HD12 LEU 66 HD12 LEU 66 -6.118 10.155 -0.751 565 HD13 LEU 66 HD13 LEU 66 -6.437 8.922 -1.966 566 HD21 LEU 66 HD21 LEU 66 -5.947 10.652 -4.463 567 HD22 LEU 66 HD22 LEU 66 -5.367 9.016 -4.163 568 HD23 LEU 66 HD23 LEU 66 -4.224 10.298 -4.562 569 H ASN 67 H ASN 67 -2.450 13.880 -1.209 570 HA ASN 67 HA ASN 67 -3.527 16.415 -1.851 571 HB2 ASN 67 HB2 ASN 67 -2.671 15.871 0.393 572 HB3 ASN 67 HB3 ASN 67 -1.052 15.697 -0.263 573 HD21 ASN 67 HD21 ASN 67 -3.544 17.914 0.631 574 HD22 ASN 67 HD22 ASN 67 -2.600 19.342 0.602 575 H LYS 68 H LYS 68 -0.724 14.684 -2.865 576 HA LYS 68 HA LYS 68 0.929 16.609 -3.986 577 HB2 LYS 68 HB2 LYS 68 1.452 14.246 -3.715 578 HB3 LYS 68 HB3 LYS 68 0.350 13.830 -5.001 579 HG2 LYS 68 HG2 LYS 68 1.714 15.224 -6.535 580 HG3 LYS 68 HG3 LYS 68 2.869 15.456 -5.219 581 HD2 LYS 68 HD2 LYS 68 3.766 13.671 -6.380 582 HD3 LYS 68 HD3 LYS 68 2.852 12.951 -5.047 583 HE2 LYS 68 HE2 LYS 68 1.874 13.170 -7.916 584 HE3 LYS 68 HE3 LYS 68 2.526 11.715 -7.194 585 HZ1 LYS 68 HZ1 LYS 68 -0.026 13.076 -6.471 586 HZ2 LYS 68 HZ2 LYS 68 0.598 11.739 -5.634 587 HZ3 LYS 68 HZ3 LYS 68 0.171 11.606 -7.243 Start of MODEL 8 1 H LYS 1 H LYS 1 -8.111 -33.640 -6.292 2 HA LYS 1 HA LYS 1 -9.587 -32.095 -7.409 3 HB2 LYS 1 HB2 LYS 1 -9.869 -30.484 -5.558 4 HB3 LYS 1 HB3 LYS 1 -9.630 -32.114 -4.957 5 HG2 LYS 1 HG2 LYS 1 -7.300 -31.595 -4.424 6 HG3 LYS 1 HG3 LYS 1 -7.502 -29.976 -5.085 7 HD2 LYS 1 HD2 LYS 1 -8.970 -31.109 -2.693 8 HD3 LYS 1 HD3 LYS 1 -7.612 -29.988 -2.635 9 HE2 LYS 1 HE2 LYS 1 -8.958 -28.330 -3.876 10 HE3 LYS 1 HE3 LYS 1 -10.321 -29.449 -3.856 11 HZ1 LYS 1 HZ1 LYS 1 -10.261 -29.352 -1.412 12 HZ2 LYS 1 HZ2 LYS 1 -10.531 -27.833 -2.106 13 HZ3 LYS 1 HZ3 LYS 1 -9.019 -28.208 -1.510 14 HA PRO 2 HA PRO 2 -7.477 -28.935 -9.673 15 HB2 PRO 2 HB2 PRO 2 -9.637 -27.650 -10.674 16 HB3 PRO 2 HB3 PRO 2 -9.119 -29.228 -11.274 17 HG2 PRO 2 HG2 PRO 2 -11.334 -28.558 -9.384 18 HG3 PRO 2 HG3 PRO 2 -11.297 -29.761 -10.681 19 HD2 PRO 2 HD2 PRO 2 -10.941 -30.345 -8.025 20 HD3 PRO 2 HD3 PRO 2 -10.308 -31.332 -9.356 21 H VAL 3 H VAL 3 -6.844 -26.858 -9.241 22 HA VAL 3 HA VAL 3 -7.814 -25.655 -6.856 23 HB VAL 3 HB VAL 3 -6.220 -23.794 -7.374 24 HG11 VAL 3 HG11 VAL 3 -5.443 -25.734 -6.132 25 HG12 VAL 3 HG12 VAL 3 -4.160 -25.116 -7.177 26 HG13 VAL 3 HG13 VAL 3 -5.058 -26.562 -7.641 27 HG21 VAL 3 HG21 VAL 3 -4.698 -24.004 -9.300 28 HG22 VAL 3 HG22 VAL 3 -6.375 -23.834 -9.824 29 HG23 VAL 3 HG23 VAL 3 -5.599 -25.417 -9.851 30 H SER 4 H SER 4 -9.200 -23.984 -6.621 31 HA SER 4 HA SER 4 -10.279 -22.819 -9.060 32 HB2 SER 4 HB2 SER 4 -11.979 -24.042 -6.878 33 HB3 SER 4 HB3 SER 4 -12.580 -23.182 -8.296 34 HG SER 4 HG SER 4 -11.100 -24.901 -9.370 35 H LEU 5 H LEU 5 -9.492 -20.829 -8.679 36 HA LEU 5 HA LEU 5 -10.924 -19.264 -6.762 37 HB2 LEU 5 HB2 LEU 5 -8.975 -20.051 -5.438 38 HB3 LEU 5 HB3 LEU 5 -7.905 -19.384 -6.651 39 HG LEU 5 HG LEU 5 -8.762 -17.123 -6.106 40 HD11 LEU 5 HD11 LEU 5 -10.933 -17.708 -5.218 41 HD12 LEU 5 HD12 LEU 5 -10.004 -16.801 -4.028 42 HD13 LEU 5 HD13 LEU 5 -10.177 -18.547 -3.863 43 HD21 LEU 5 HD21 LEU 5 -7.589 -18.680 -3.806 44 HD22 LEU 5 HD22 LEU 5 -7.564 -16.926 -3.976 45 HD23 LEU 5 HD23 LEU 5 -6.691 -17.934 -5.129 46 H SER 6 H SER 6 -11.719 -18.513 -8.784 47 HA SER 6 HA SER 6 -9.883 -17.049 -10.456 48 HB2 SER 6 HB2 SER 6 -12.870 -17.459 -10.686 49 HB3 SER 6 HB3 SER 6 -11.846 -16.689 -11.901 50 HG SER 6 HG SER 6 -10.645 -18.888 -11.442 51 H TYR 7 H TYR 7 -12.454 -16.505 -8.188 52 HA TYR 7 HA TYR 7 -12.208 -13.652 -8.475 53 HB2 TYR 7 HB2 TYR 7 -13.714 -15.266 -6.395 54 HB3 TYR 7 HB3 TYR 7 -13.741 -13.509 -6.506 55 HD1 TYR 7 HD1 TYR 7 -14.658 -12.471 -8.629 56 HD2 TYR 7 HD2 TYR 7 -15.191 -16.571 -7.661 57 HE1 TYR 7 HE1 TYR 7 -16.539 -12.586 -10.195 58 HE2 TYR 7 HE2 TYR 7 -17.074 -16.705 -9.232 59 HH TYR 7 HH TYR 7 -17.719 -14.217 -11.477 60 H ARG 8 H ARG 8 -10.099 -13.344 -8.147 61 HA ARG 8 HA ARG 8 -9.215 -13.601 -5.375 62 HB2 ARG 8 HB2 ARG 8 -6.955 -14.105 -6.148 63 HB3 ARG 8 HB3 ARG 8 -8.086 -15.331 -6.687 64 HG2 ARG 8 HG2 ARG 8 -8.105 -14.398 -8.920 65 HG3 ARG 8 HG3 ARG 8 -7.076 -13.065 -8.392 66 HD2 ARG 8 HD2 ARG 8 -5.756 -14.753 -9.558 67 HD3 ARG 8 HD3 ARG 8 -5.292 -14.657 -7.866 68 HE ARG 8 HE ARG 8 -7.260 -16.676 -8.464 69 HH11 ARG 8 HH11 ARG 8 -3.791 -15.969 -8.230 70 HH12 ARG 8 HH12 ARG 8 -3.351 -17.590 -7.951 71 HH21 ARG 8 HH21 ARG 8 -6.629 -18.897 -8.120 72 HH22 ARG 8 HH22 ARG 8 -4.985 -19.285 -7.899 73 H CYS 9 H CYS 9 -7.600 -12.091 -4.826 74 HA CYS 9 HA CYS 9 -7.653 -9.681 -6.464 75 HB2 CYS 9 HB2 CYS 9 -7.461 -9.930 -3.447 76 HB3 CYS 9 HB3 CYS 9 -7.529 -8.448 -4.377 77 HA PRO 10 HA PRO 10 -3.189 -9.980 -6.887 78 HB2 PRO 10 HB2 PRO 10 -3.350 -7.199 -5.691 79 HB3 PRO 10 HB3 PRO 10 -2.358 -7.792 -7.031 80 HG2 PRO 10 HG2 PRO 10 -4.590 -6.473 -7.507 81 HG3 PRO 10 HG3 PRO 10 -4.147 -7.877 -8.494 82 HD2 PRO 10 HD2 PRO 10 -6.265 -7.610 -6.427 83 HD3 PRO 10 HD3 PRO 10 -6.194 -8.677 -7.845 84 H CYS 11 H CYS 11 -4.430 -8.574 -3.872 85 HA CYS 11 HA CYS 11 -2.662 -10.374 -2.419 86 HB2 CYS 11 HB2 CYS 11 -3.083 -7.454 -1.769 87 HB3 CYS 11 HB3 CYS 11 -2.385 -8.613 -0.656 88 H ARG 12 H ARG 12 -3.911 -11.735 -1.361 89 HA ARG 12 HA ARG 12 -6.543 -10.885 -0.489 90 HB2 ARG 12 HB2 ARG 12 -5.194 -13.578 -0.277 91 HB3 ARG 12 HB3 ARG 12 -6.852 -13.240 0.187 92 HG2 ARG 12 HG2 ARG 12 -7.360 -12.634 -2.151 93 HG3 ARG 12 HG3 ARG 12 -5.707 -13.052 -2.594 94 HD2 ARG 12 HD2 ARG 12 -7.176 -14.895 -3.078 95 HD3 ARG 12 HD3 ARG 12 -6.074 -15.309 -1.757 96 HE ARG 12 HE ARG 12 -8.653 -14.275 -0.973 97 HH11 ARG 12 HH11 ARG 12 -6.735 -17.209 -1.509 98 HH12 ARG 12 HH12 ARG 12 -7.784 -18.213 -0.613 99 HH21 ARG 12 HH21 ARG 12 -10.024 -15.601 0.264 100 HH22 ARG 12 HH22 ARG 12 -9.729 -17.258 0.475 101 H PHE 13 H PHE 13 -3.435 -10.978 0.690 102 HA PHE 13 HA PHE 13 -4.364 -10.633 3.436 103 HB2 PHE 13 HB2 PHE 13 -2.326 -11.788 4.253 104 HB3 PHE 13 HB3 PHE 13 -3.348 -12.865 3.317 105 HD1 PHE 13 HD1 PHE 13 -2.640 -13.563 1.045 106 HD2 PHE 13 HD2 PHE 13 -0.108 -11.242 3.556 107 HE1 PHE 13 HE1 PHE 13 -0.713 -14.148 -0.363 108 HE2 PHE 13 HE2 PHE 13 1.825 -11.825 2.152 109 HZ PHE 13 HZ PHE 13 1.525 -13.278 0.191 110 H PHE 14 H PHE 14 -3.250 -9.058 4.565 111 HA PHE 14 HA PHE 14 -1.124 -7.529 3.161 112 HB2 PHE 14 HB2 PHE 14 -3.426 -6.399 4.652 113 HB3 PHE 14 HB3 PHE 14 -2.190 -5.470 3.819 114 HD1 PHE 14 HD1 PHE 14 -2.203 -5.565 1.282 115 HD2 PHE 14 HD2 PHE 14 -5.398 -7.041 3.659 116 HE1 PHE 14 HE1 PHE 14 -3.697 -5.449 -0.654 117 HE2 PHE 14 HE2 PHE 14 -6.902 -6.933 1.725 118 HZ PHE 14 HZ PHE 14 -6.055 -6.135 -0.437 119 H GLU 15 H GLU 15 0.430 -6.759 4.519 120 HA GLU 15 HA GLU 15 0.525 -7.861 7.143 121 HB2 GLU 15 HB2 GLU 15 2.339 -7.293 5.246 122 HB3 GLU 15 HB3 GLU 15 2.349 -5.751 6.074 123 HG2 GLU 15 HG2 GLU 15 3.059 -8.444 7.187 124 HG3 GLU 15 HG3 GLU 15 4.100 -7.061 6.854 125 H SER 16 H SER 16 0.445 -6.466 9.058 126 HA SER 16 HA SER 16 -0.603 -3.804 8.489 127 HB2 SER 16 HB2 SER 16 -2.396 -4.095 10.235 128 HB3 SER 16 HB3 SER 16 -2.610 -5.040 8.763 129 HG SER 16 HG SER 16 -1.412 -6.712 10.112 130 H HIS 17 H HIS 17 1.914 -5.097 9.907 131 HA HIS 17 HA HIS 17 1.966 -2.912 11.893 132 HB2 HIS 17 HB2 HIS 17 3.252 -4.214 13.440 133 HB3 HIS 17 HB3 HIS 17 1.778 -5.114 13.123 134 HD1 HIS 17 HD1 HIS 17 5.293 -4.922 12.041 135 HD2 HIS 17 HD2 HIS 17 2.275 -7.696 12.400 136 HE1 HIS 17 HE1 HIS 17 6.303 -6.882 11.372 137 HE2 HIS 17 HE2 HIS 17 4.360 -8.606 11.236 138 H VAL 18 H VAL 18 2.607 -3.160 9.199 139 HA VAL 18 HA VAL 18 5.272 -3.367 8.633 140 HB VAL 18 HB VAL 18 3.344 -1.461 7.329 141 HG11 VAL 18 HG11 VAL 18 4.732 -1.808 5.321 142 HG12 VAL 18 HG12 VAL 18 5.822 -2.812 6.268 143 HG13 VAL 18 HG13 VAL 18 5.655 -1.099 6.649 144 HG21 VAL 18 HG21 VAL 18 2.365 -3.679 7.404 145 HG22 VAL 18 HG22 VAL 18 3.840 -4.388 6.757 146 HG23 VAL 18 HG23 VAL 18 2.868 -3.313 5.757 147 H ALA 19 H ALA 19 7.050 -2.056 8.863 148 HA ALA 19 HA ALA 19 6.727 0.526 10.174 149 HB1 ALA 19 HB1 ALA 19 9.168 0.297 10.565 150 HB2 ALA 19 HB2 ALA 19 9.143 -1.237 9.692 151 HB3 ALA 19 HB3 ALA 19 8.268 -1.075 11.214 152 H ARG 20 H ARG 20 7.001 2.331 8.965 153 HA ARG 20 HA ARG 20 7.332 2.094 6.156 154 HB2 ARG 20 HB2 ARG 20 5.967 3.867 7.170 155 HB3 ARG 20 HB3 ARG 20 7.424 4.592 7.835 156 HG2 ARG 20 HG2 ARG 20 8.259 5.077 5.633 157 HG3 ARG 20 HG3 ARG 20 6.915 4.206 4.894 158 HD2 ARG 20 HD2 ARG 20 5.373 5.744 5.896 159 HD3 ARG 20 HD3 ARG 20 6.715 6.695 6.576 160 HE ARG 20 HE ARG 20 7.200 6.519 3.900 161 HH11 ARG 20 HH11 ARG 20 4.520 7.787 5.848 162 HH12 ARG 20 HH12 ARG 20 4.042 8.941 4.689 163 HH21 ARG 20 HH21 ARG 20 6.538 8.076 2.332 164 HH22 ARG 20 HH22 ARG 20 5.214 9.121 2.644 165 H ALA 21 H ALA 21 9.509 2.812 8.748 166 HA ALA 21 HA ALA 21 11.635 3.822 7.163 167 HB1 ALA 21 HB1 ALA 21 11.508 4.203 9.565 168 HB2 ALA 21 HB2 ALA 21 13.023 3.425 9.121 169 HB3 ALA 21 HB3 ALA 21 11.730 2.477 9.862 170 H ASN 22 H ASN 22 10.320 0.731 7.452 171 HA ASN 22 HA ASN 22 12.828 -0.560 6.735 172 HB2 ASN 22 HB2 ASN 22 11.461 -1.510 8.569 173 HB3 ASN 22 HB3 ASN 22 10.144 -1.750 7.434 174 HD21 ASN 22 HD21 ASN 22 10.105 -3.928 7.763 175 HD22 ASN 22 HD22 ASN 22 11.335 -4.988 7.182 176 H VAL 23 H VAL 23 10.054 0.773 5.293 177 HA VAL 23 HA VAL 23 10.103 -1.107 3.066 178 HB VAL 23 HB VAL 23 8.134 1.156 3.610 179 HG11 VAL 23 HG11 VAL 23 6.808 0.187 1.856 180 HG12 VAL 23 HG12 VAL 23 8.089 -0.990 1.528 181 HG13 VAL 23 HG13 VAL 23 8.373 0.726 1.249 182 HG21 VAL 23 HG21 VAL 23 6.573 -0.633 4.138 183 HG22 VAL 23 HG22 VAL 23 7.964 -0.666 5.221 184 HG23 VAL 23 HG23 VAL 23 7.851 -1.825 3.898 185 H LYS 24 H LYS 24 10.877 -0.651 1.149 186 HA LYS 24 HA LYS 24 12.356 1.857 0.724 187 HB2 LYS 24 HB2 LYS 24 13.160 0.811 -1.292 188 HB3 LYS 24 HB3 LYS 24 13.488 -0.226 0.086 189 HG2 LYS 24 HG2 LYS 24 11.770 -1.734 -0.526 190 HG3 LYS 24 HG3 LYS 24 11.100 -0.602 -1.693 191 HD2 LYS 24 HD2 LYS 24 13.765 -2.019 -1.912 192 HD3 LYS 24 HD3 LYS 24 12.271 -2.374 -2.804 193 HE2 LYS 24 HE2 LYS 24 12.311 -0.058 -3.668 194 HE3 LYS 24 HE3 LYS 24 13.850 0.173 -2.944 195 HZ1 LYS 24 HZ1 LYS 24 14.140 -0.430 -5.234 196 HZ2 LYS 24 HZ2 LYS 24 13.313 -1.887 -4.994 197 HZ3 LYS 24 HZ3 LYS 24 14.798 -1.629 -4.230 198 H HIS 25 H HIS 25 9.508 0.250 -0.421 199 HA HIS 25 HA HIS 25 8.785 2.463 -2.126 200 HB2 HIS 25 HB2 HIS 25 10.500 1.406 -3.454 201 HB3 HIS 25 HB3 HIS 25 9.778 -0.151 -3.180 202 HD1 HIS 25 HD1 HIS 25 8.131 3.034 -4.543 203 HD2 HIS 25 HD2 HIS 25 8.981 -0.895 -5.470 204 HE1 HIS 25 HE1 HIS 25 6.945 2.636 -6.717 205 HE2 HIS 25 HE2 HIS 25 7.810 0.382 -7.429 206 H LEU 26 H LEU 26 6.620 2.469 -2.437 207 HA LEU 26 HA LEU 26 5.131 0.004 -1.916 208 HB2 LEU 26 HB2 LEU 26 4.190 2.857 -1.509 209 HB3 LEU 26 HB3 LEU 26 3.229 1.425 -1.261 210 HG LEU 26 HG LEU 26 4.862 0.837 0.619 211 HD11 LEU 26 HD11 LEU 26 6.086 2.680 1.638 212 HD12 LEU 26 HD12 LEU 26 5.651 3.727 0.288 213 HD13 LEU 26 HD13 LEU 26 6.686 2.325 0.017 214 HD21 LEU 26 HD21 LEU 26 2.614 1.642 1.023 215 HD22 LEU 26 HD22 LEU 26 3.163 3.309 0.850 216 HD23 LEU 26 HD23 LEU 26 3.734 2.328 2.197 217 H LYS 27 H LYS 27 3.941 -0.667 -3.589 218 HA LYS 27 HA LYS 27 3.314 1.248 -5.718 219 HB2 LYS 27 HB2 LYS 27 5.140 -0.697 -6.097 220 HB3 LYS 27 HB3 LYS 27 3.717 -1.665 -6.228 221 HG2 LYS 27 HG2 LYS 27 4.116 0.756 -7.972 222 HG3 LYS 27 HG3 LYS 27 4.677 -0.845 -8.414 223 HD2 LYS 27 HD2 LYS 27 1.807 -0.132 -7.805 224 HD3 LYS 27 HD3 LYS 27 2.493 -0.213 -9.428 225 HE2 LYS 27 HE2 LYS 27 3.117 -2.579 -8.965 226 HE3 LYS 27 HE3 LYS 27 2.252 -2.458 -7.436 227 HZ1 LYS 27 HZ1 LYS 27 0.873 -3.457 -9.165 228 HZ2 LYS 27 HZ2 LYS 27 1.087 -2.104 -10.131 229 HZ3 LYS 27 HZ3 LYS 27 0.215 -1.944 -8.730 230 H ILE 28 H ILE 28 1.248 1.555 -5.304 231 HA ILE 28 HA ILE 28 -0.342 -0.608 -4.196 232 HB ILE 28 HB ILE 28 -1.217 2.257 -4.646 233 HG12 ILE 28 HG12 ILE 28 -0.049 0.896 -2.233 234 HG13 ILE 28 HG13 ILE 28 0.718 2.181 -3.157 235 HG21 ILE 28 HG21 ILE 28 -3.038 0.567 -4.360 236 HG22 ILE 28 HG22 ILE 28 -2.941 1.679 -2.986 237 HG23 ILE 28 HG23 ILE 28 -2.269 0.055 -2.849 238 HD11 ILE 28 HD11 ILE 28 -0.195 3.008 -1.053 239 HD12 ILE 28 HD12 ILE 28 -1.784 2.423 -1.487 240 HD13 ILE 28 HD13 ILE 28 -1.046 3.736 -2.419 241 H LEU 29 H LEU 29 -1.721 -1.740 -5.284 242 HA LEU 29 HA LEU 29 -2.417 -1.036 -8.052 243 HB2 LEU 29 HB2 LEU 29 -1.038 -3.042 -7.830 244 HB3 LEU 29 HB3 LEU 29 -2.144 -3.678 -6.632 245 HG LEU 29 HG LEU 29 -3.841 -4.037 -8.298 246 HD11 LEU 29 HD11 LEU 29 -3.373 -2.119 -9.767 247 HD12 LEU 29 HD12 LEU 29 -3.381 -3.622 -10.691 248 HD13 LEU 29 HD13 LEU 29 -1.850 -2.857 -10.262 249 HD21 LEU 29 HD21 LEU 29 -1.143 -5.045 -9.174 250 HD22 LEU 29 HD22 LEU 29 -2.698 -5.724 -9.659 251 HD23 LEU 29 HD23 LEU 29 -2.204 -5.775 -7.968 252 H ASN 30 H ASN 30 -4.477 -0.351 -8.194 253 HA ASN 30 HA ASN 30 -6.291 -1.151 -6.069 254 HB2 ASN 30 HB2 ASN 30 -7.820 0.613 -6.788 255 HB3 ASN 30 HB3 ASN 30 -6.214 1.275 -6.562 256 HD21 ASN 30 HD21 ASN 30 -5.096 2.056 -8.367 257 HD22 ASN 30 HD22 ASN 30 -5.873 2.322 -9.877 258 H THR 31 H THR 31 -7.816 -2.584 -6.281 259 HA THR 31 HA THR 31 -8.523 -3.366 -8.998 260 HB THR 31 HB THR 31 -8.722 -5.018 -6.528 261 HG1 THR 31 HG1 THR 31 -6.756 -5.160 -8.626 262 HG21 THR 31 HG21 THR 31 -8.940 -6.920 -8.118 263 HG22 THR 31 HG22 THR 31 -8.904 -5.758 -9.446 264 HG23 THR 31 HG23 THR 31 -10.229 -5.722 -8.285 265 HA PRO 32 HA PRO 32 -12.403 -1.269 -7.934 266 HB2 PRO 32 HB2 PRO 32 -13.244 -3.083 -10.107 267 HB3 PRO 32 HB3 PRO 32 -13.547 -1.364 -9.943 268 HG2 PRO 32 HG2 PRO 32 -11.709 -2.239 -11.632 269 HG3 PRO 32 HG3 PRO 32 -11.350 -0.828 -10.618 270 HD2 PRO 32 HD2 PRO 32 -10.336 -3.670 -10.268 271 HD3 PRO 32 HD3 PRO 32 -9.561 -2.089 -9.988 272 H ASN 33 H ASN 33 -11.843 -4.464 -7.181 273 HA ASN 33 HA ASN 33 -14.664 -4.948 -6.517 274 HB2 ASN 33 HB2 ASN 33 -13.002 -7.043 -7.950 275 HB3 ASN 33 HB3 ASN 33 -14.705 -7.138 -7.520 276 HD21 ASN 33 HD21 ASN 33 -16.177 -5.778 -8.702 277 HD22 ASN 33 HD22 ASN 33 -15.796 -5.249 -10.287 278 H CYS 34 H CYS 34 -11.776 -4.544 -5.462 279 HA CYS 34 HA CYS 34 -11.944 -6.618 -3.438 280 HB2 CYS 34 HB2 CYS 34 -9.529 -5.719 -4.957 281 HB3 CYS 34 HB3 CYS 34 -9.391 -6.713 -3.544 282 H ALA 35 H ALA 35 -9.784 -3.974 -4.298 283 HA ALA 35 HA ALA 35 -10.484 -1.928 -2.698 284 HB1 ALA 35 HB1 ALA 35 -8.770 -3.960 -1.306 285 HB2 ALA 35 HB2 ALA 35 -10.372 -3.417 -0.798 286 HB3 ALA 35 HB3 ALA 35 -8.996 -2.290 -0.723 287 H LEU 36 H LEU 36 -8.135 -0.888 -1.975 288 HA LEU 36 HA LEU 36 -6.495 -1.448 -4.230 289 HB2 LEU 36 HB2 LEU 36 -5.181 0.586 -3.607 290 HB3 LEU 36 HB3 LEU 36 -6.841 0.869 -4.044 291 HG LEU 36 HG LEU 36 -7.291 1.029 -1.522 292 HD11 LEU 36 HD11 LEU 36 -4.305 1.322 -1.466 293 HD12 LEU 36 HD12 LEU 36 -5.255 0.063 -0.681 294 HD13 LEU 36 HD13 LEU 36 -5.400 1.751 -0.158 295 HD21 LEU 36 HD21 LEU 36 -5.577 3.049 -2.903 296 HD22 LEU 36 HD22 LEU 36 -6.630 3.370 -1.508 297 HD23 LEU 36 HD23 LEU 36 -7.316 2.855 -3.064 298 H GLN 37 H GLN 37 -4.727 -2.551 -4.206 299 HA GLN 37 HA GLN 37 -3.912 -3.579 -1.605 300 HB2 GLN 37 HB2 GLN 37 -3.556 -4.775 -4.354 301 HB3 GLN 37 HB3 GLN 37 -2.850 -5.447 -2.891 302 HG2 GLN 37 HG2 GLN 37 -4.727 -6.642 -2.639 303 HG3 GLN 37 HG3 GLN 37 -5.523 -5.113 -2.293 304 HE21 GLN 37 HE21 GLN 37 -5.287 -4.156 -5.049 305 HE22 GLN 37 HE22 GLN 37 -6.396 -5.108 -5.956 306 H ILE 38 H ILE 38 -2.037 -3.125 -0.857 307 HA ILE 38 HA ILE 38 -0.348 -1.348 -2.433 308 HB ILE 38 HB ILE 38 -0.455 -2.054 0.452 309 HG12 ILE 38 HG12 ILE 38 -1.500 0.422 -0.909 310 HG13 ILE 38 HG13 ILE 38 -2.480 -0.939 -0.375 311 HG21 ILE 38 HG21 ILE 38 1.760 -1.249 -0.105 312 HG22 ILE 38 HG22 ILE 38 0.935 0.030 0.768 313 HG23 ILE 38 HG23 ILE 38 1.124 0.133 -0.980 314 HD11 ILE 38 HD11 ILE 38 -1.850 -0.498 1.914 315 HD12 ILE 38 HD12 ILE 38 -2.551 0.940 1.117 316 HD13 ILE 38 HD13 ILE 38 -0.801 0.815 1.336 317 H VAL 39 H VAL 39 1.429 -2.303 -3.318 318 HA VAL 39 HA VAL 39 2.509 -4.656 -1.929 319 HB VAL 39 HB VAL 39 2.984 -3.677 -4.752 320 HG11 VAL 39 HG11 VAL 39 4.903 -4.802 -3.969 321 HG12 VAL 39 HG12 VAL 39 4.078 -5.854 -5.112 322 HG13 VAL 39 HG13 VAL 39 3.950 -6.173 -3.376 323 HG21 VAL 39 HG21 VAL 39 1.695 -5.651 -5.478 324 HG22 VAL 39 HG22 VAL 39 0.729 -4.529 -4.522 325 HG23 VAL 39 HG23 VAL 39 1.335 -6.013 -3.788 326 H ALA 40 H ALA 40 4.261 -4.336 -0.811 327 HA ALA 40 HA ALA 40 6.012 -2.104 -1.563 328 HB1 ALA 40 HB1 ALA 40 6.220 -1.443 0.763 329 HB2 ALA 40 HB2 ALA 40 5.083 -2.705 1.224 330 HB3 ALA 40 HB3 ALA 40 4.543 -1.357 0.232 331 H ARG 41 H ARG 41 8.151 -2.454 -1.302 332 HA ARG 41 HA ARG 41 8.836 -5.044 -0.240 333 HB2 ARG 41 HB2 ARG 41 9.489 -3.686 -2.579 334 HB3 ARG 41 HB3 ARG 41 10.987 -3.915 -1.696 335 HG2 ARG 41 HG2 ARG 41 10.536 -6.263 -1.491 336 HG3 ARG 41 HG3 ARG 41 8.940 -6.033 -2.195 337 HD2 ARG 41 HD2 ARG 41 11.576 -5.628 -3.551 338 HD3 ARG 41 HD3 ARG 41 10.420 -7.001 -3.696 339 HE ARG 41 HE ARG 41 9.345 -4.422 -4.343 340 HH11 ARG 41 HH11 ARG 41 10.947 -7.337 -5.635 341 HH12 ARG 41 HH12 ARG 41 10.290 -7.127 -7.195 342 HH21 ARG 41 HH21 ARG 41 8.473 -4.199 -6.559 343 HH22 ARG 41 HH22 ARG 41 8.913 -5.379 -7.704 344 H LEU 42 H LEU 42 10.398 -5.327 1.132 345 HA LEU 42 HA LEU 42 10.942 -3.110 2.912 346 HB2 LEU 42 HB2 LEU 42 12.062 -5.886 3.120 347 HB3 LEU 42 HB3 LEU 42 11.935 -4.696 4.366 348 HG LEU 42 HG LEU 42 9.579 -6.124 3.133 349 HD11 LEU 42 HD11 LEU 42 10.798 -6.344 5.872 350 HD12 LEU 42 HD12 LEU 42 10.879 -7.562 4.608 351 HD13 LEU 42 HD13 LEU 42 9.326 -7.145 5.329 352 HD21 LEU 42 HD21 LEU 42 9.667 -4.084 5.363 353 HD22 LEU 42 HD22 LEU 42 8.239 -4.985 4.850 354 HD23 LEU 42 HD23 LEU 42 9.000 -3.833 3.749 355 H LYS 43 H LYS 43 12.921 -2.354 3.405 356 HA LYS 43 HA LYS 43 14.779 -2.162 1.238 357 HB2 LYS 43 HB2 LYS 43 15.116 -1.248 4.100 358 HB3 LYS 43 HB3 LYS 43 16.100 -0.770 2.724 359 HG2 LYS 43 HG2 LYS 43 14.183 0.338 1.727 360 HG3 LYS 43 HG3 LYS 43 13.170 -0.150 3.095 361 HD2 LYS 43 HD2 LYS 43 13.867 2.139 3.358 362 HD3 LYS 43 HD3 LYS 43 14.687 1.147 4.565 363 HE2 LYS 43 HE2 LYS 43 16.699 1.096 3.172 364 HE3 LYS 43 HE3 LYS 43 15.866 2.048 1.943 365 HZ1 LYS 43 HZ1 LYS 43 15.686 3.841 3.535 366 HZ2 LYS 43 HZ2 LYS 43 17.302 3.407 3.312 367 HZ3 LYS 43 HZ3 LYS 43 16.478 2.918 4.705 368 H ASN 44 H ASN 44 15.056 -3.405 4.537 369 HA ASN 44 HA ASN 44 17.704 -4.393 4.021 370 HB2 ASN 44 HB2 ASN 44 17.183 -3.424 6.183 371 HB3 ASN 44 HB3 ASN 44 15.960 -4.652 6.460 372 HD21 ASN 44 HD21 ASN 44 19.357 -3.969 6.333 373 HD22 ASN 44 HD22 ASN 44 19.869 -5.436 7.081 374 H ASN 45 H ASN 45 14.539 -5.841 4.405 375 HA ASN 45 HA ASN 45 15.816 -8.464 4.270 376 HB2 ASN 45 HB2 ASN 45 14.033 -8.052 6.037 377 HB3 ASN 45 HB3 ASN 45 12.879 -7.895 4.730 378 HD21 ASN 45 HD21 ASN 45 11.728 -9.610 5.778 379 HD22 ASN 45 HD22 ASN 45 12.232 -11.237 5.523 380 H ASN 46 H ASN 46 14.331 -6.271 2.130 381 HA ASN 46 HA ASN 46 13.890 -6.308 -0.088 382 HB2 ASN 46 HB2 ASN 46 16.007 -7.547 -0.359 383 HB3 ASN 46 HB3 ASN 46 15.197 -9.063 -0.015 384 HD21 ASN 46 HD21 ASN 46 14.034 -10.066 -1.648 385 HD22 ASN 46 HD22 ASN 46 14.060 -9.551 -3.289 386 H ARG 47 H ARG 47 12.366 -8.223 2.013 387 HA ARG 47 HA ARG 47 10.689 -9.823 0.441 388 HB2 ARG 47 HB2 ARG 47 10.603 -8.834 3.210 389 HB3 ARG 47 HB3 ARG 47 9.125 -9.475 2.534 390 HG2 ARG 47 HG2 ARG 47 10.763 -10.917 3.922 391 HG3 ARG 47 HG3 ARG 47 9.942 -11.646 2.524 392 HD2 ARG 47 HD2 ARG 47 12.646 -10.384 2.414 393 HD3 ARG 47 HD3 ARG 47 12.439 -12.055 2.924 394 HE ARG 47 HE ARG 47 11.127 -11.752 0.493 395 HH11 ARG 47 HH11 ARG 47 14.464 -11.358 1.598 396 HH12 ARG 47 HH12 ARG 47 15.164 -12.033 0.206 397 HH21 ARG 47 HH21 ARG 47 12.111 -12.641 -1.480 398 HH22 ARG 47 HH22 ARG 47 13.800 -12.795 -1.568 399 H GLN 48 H GLN 48 8.990 -9.594 -0.573 400 HA GLN 48 HA GLN 48 7.874 -6.926 -0.885 401 HB2 GLN 48 HB2 GLN 48 8.685 -8.378 -2.830 402 HB3 GLN 48 HB3 GLN 48 7.331 -9.435 -2.475 403 HG2 GLN 48 HG2 GLN 48 5.828 -7.512 -2.835 404 HG3 GLN 48 HG3 GLN 48 7.239 -6.572 -3.259 405 HE21 GLN 48 HE21 GLN 48 6.468 -6.178 -5.329 406 HE22 GLN 48 HE22 GLN 48 6.466 -7.368 -6.563 407 H VAL 49 H VAL 49 6.090 -6.497 0.221 408 HA VAL 49 HA VAL 49 4.353 -8.726 0.998 409 HB VAL 49 HB VAL 49 3.920 -7.629 3.156 410 HG11 VAL 49 HG11 VAL 49 6.052 -8.084 4.261 411 HG12 VAL 49 HG12 VAL 49 6.849 -8.129 2.688 412 HG13 VAL 49 HG13 VAL 49 5.626 -9.334 3.091 413 HG21 VAL 49 HG21 VAL 49 4.373 -5.307 2.537 414 HG22 VAL 49 HG22 VAL 49 6.087 -5.680 2.351 415 HG23 VAL 49 HG23 VAL 49 5.336 -5.769 3.943 416 H CYS 50 H CYS 50 2.185 -7.946 1.648 417 HA CYS 50 HA CYS 50 1.349 -5.738 -0.076 418 HB2 CYS 50 HB2 CYS 50 -0.477 -7.727 1.309 419 HB3 CYS 50 HB3 CYS 50 -0.801 -6.641 0.005 420 H ILE 51 H ILE 51 0.368 -4.010 0.867 421 HA ILE 51 HA ILE 51 0.365 -4.074 3.784 422 HB ILE 51 HB ILE 51 0.729 -1.629 2.040 423 HG12 ILE 51 HG12 ILE 51 2.618 -3.402 3.522 424 HG13 ILE 51 HG13 ILE 51 2.637 -2.959 1.851 425 HG21 ILE 51 HG21 ILE 51 -0.364 -1.135 4.181 426 HG22 ILE 51 HG22 ILE 51 1.282 -0.504 4.142 427 HG23 ILE 51 HG23 ILE 51 0.928 -1.985 5.024 428 HD11 ILE 51 HD11 ILE 51 3.212 -0.656 2.332 429 HD12 ILE 51 HD12 ILE 51 4.404 -1.747 3.047 430 HD13 ILE 51 HD13 ILE 51 3.173 -0.990 4.062 431 H ASP 52 H ASP 52 -1.264 -3.327 4.887 432 HA ASP 52 HA ASP 52 -3.825 -3.431 3.644 433 HB2 ASP 52 HB2 ASP 52 -3.225 -4.455 5.683 434 HB3 ASP 52 HB3 ASP 52 -2.967 -2.906 6.470 435 HA PRO 53 HA PRO 53 -4.086 0.908 2.830 436 HB2 PRO 53 HB2 PRO 53 -6.818 1.079 2.666 437 HB3 PRO 53 HB3 PRO 53 -5.769 0.500 1.371 438 HG2 PRO 53 HG2 PRO 53 -7.345 -1.064 3.370 439 HG3 PRO 53 HG3 PRO 53 -7.125 -1.359 1.634 440 HD2 PRO 53 HD2 PRO 53 -5.773 -2.746 3.472 441 HD3 PRO 53 HD3 PRO 53 -5.028 -2.279 1.925 442 H LYS 54 H LYS 54 -5.832 -0.468 5.604 443 HA LYS 54 HA LYS 54 -6.513 2.240 6.393 444 HB2 LYS 54 HB2 LYS 54 -7.902 1.312 8.123 445 HB3 LYS 54 HB3 LYS 54 -8.309 0.728 6.523 446 HG2 LYS 54 HG2 LYS 54 -7.199 -1.369 7.023 447 HG3 LYS 54 HG3 LYS 54 -6.802 -0.764 8.636 448 HD2 LYS 54 HD2 LYS 54 -8.789 -2.031 8.900 449 HD3 LYS 54 HD3 LYS 54 -9.119 -0.275 8.913 450 HE2 LYS 54 HE2 LYS 54 -10.012 -0.296 6.720 451 HE3 LYS 54 HE3 LYS 54 -9.493 -1.962 6.448 452 HZ1 LYS 54 HZ1 LYS 54 -11.565 -1.064 8.370 453 HZ2 LYS 54 HZ2 LYS 54 -11.105 -2.666 8.123 454 HZ3 LYS 54 HZ3 LYS 54 -11.871 -1.791 6.896 455 H LEU 55 H LEU 55 -3.782 0.743 6.661 456 HA LEU 55 HA LEU 55 -3.045 1.176 9.362 457 HB2 LEU 55 HB2 LEU 55 -1.570 1.149 6.783 458 HB3 LEU 55 HB3 LEU 55 -0.708 1.638 8.196 459 HG LEU 55 HG LEU 55 -2.012 -1.079 7.770 460 HD11 LEU 55 HD11 LEU 55 0.883 -0.230 7.806 461 HD12 LEU 55 HD12 LEU 55 -0.038 -0.654 6.366 462 HD13 LEU 55 HD13 LEU 55 0.284 -1.877 7.598 463 HD21 LEU 55 HD21 LEU 55 -1.920 -0.403 10.148 464 HD22 LEU 55 HD22 LEU 55 -0.190 -0.090 9.935 465 HD23 LEU 55 HD23 LEU 55 -0.803 -1.721 9.764 466 H LYS 56 H LYS 56 -2.267 2.957 10.359 467 HA LYS 56 HA LYS 56 -3.442 5.397 9.561 468 HB2 LYS 56 HB2 LYS 56 -3.029 4.893 11.942 469 HB3 LYS 56 HB3 LYS 56 -1.299 5.051 11.666 470 HG2 LYS 56 HG2 LYS 56 -1.599 7.394 11.034 471 HG3 LYS 56 HG3 LYS 56 -3.334 7.239 11.293 472 HD2 LYS 56 HD2 LYS 56 -2.901 6.711 13.651 473 HD3 LYS 56 HD3 LYS 56 -1.173 6.938 13.377 474 HE2 LYS 56 HE2 LYS 56 -1.570 9.253 12.710 475 HE3 LYS 56 HE3 LYS 56 -3.303 9.040 12.956 476 HZ1 LYS 56 HZ1 LYS 56 -1.200 8.892 15.055 477 HZ2 LYS 56 HZ2 LYS 56 -2.834 8.614 15.311 478 HZ3 LYS 56 HZ3 LYS 56 -2.322 10.134 14.851 479 H TRP 57 H TRP 57 -0.047 4.358 9.459 480 HA TRP 57 HA TRP 57 0.730 6.875 8.408 481 HB2 TRP 57 HB2 TRP 57 2.934 5.983 8.063 482 HB3 TRP 57 HB3 TRP 57 2.342 5.430 9.613 483 HD1 TRP 57 HD1 TRP 57 2.034 2.711 9.885 484 HE1 TRP 57 HE1 TRP 57 2.977 0.787 8.501 485 HE3 TRP 57 HE3 TRP 57 3.394 5.301 5.700 486 HZ2 TRP 57 HZ2 TRP 57 4.130 0.390 5.971 487 HZ3 TRP 57 HZ3 TRP 57 4.414 4.077 3.840 488 HH2 TRP 57 HH2 TRP 57 4.774 1.701 3.957 489 H ILE 58 H ILE 58 -0.580 4.067 7.023 490 HA ILE 58 HA ILE 58 0.189 4.676 4.326 491 HB ILE 58 HB ILE 58 -1.972 2.835 5.423 492 HG12 ILE 58 HG12 ILE 58 0.358 2.134 5.852 493 HG13 ILE 58 HG13 ILE 58 -0.455 1.025 4.760 494 HG21 ILE 58 HG21 ILE 58 -2.141 1.941 3.180 495 HG22 ILE 58 HG22 ILE 58 -0.988 3.162 2.606 496 HG23 ILE 58 HG23 ILE 58 -2.574 3.663 3.192 497 HD11 ILE 58 HD11 ILE 58 1.801 1.452 4.032 498 HD12 ILE 58 HD12 ILE 58 1.482 3.180 3.961 499 HD13 ILE 58 HD13 ILE 58 0.648 2.081 2.862 500 H GLN 59 H GLN 59 -2.629 5.329 6.339 501 HA GLN 59 HA GLN 59 -4.124 6.705 4.435 502 HB2 GLN 59 HB2 GLN 59 -3.851 7.176 7.403 503 HB3 GLN 59 HB3 GLN 59 -5.011 8.039 6.408 504 HG2 GLN 59 HG2 GLN 59 -4.919 5.054 6.823 505 HG3 GLN 59 HG3 GLN 59 -6.037 6.173 7.604 506 HE21 GLN 59 HE21 GLN 59 -5.266 4.481 4.672 507 HE22 GLN 59 HE22 GLN 59 -6.698 4.913 3.827 508 H GLU 60 H GLU 60 -1.485 7.810 6.485 509 HA GLU 60 HA GLU 60 -1.505 10.496 5.550 510 HB2 GLU 60 HB2 GLU 60 0.726 8.922 6.832 511 HB3 GLU 60 HB3 GLU 60 0.690 10.668 6.647 512 HG2 GLU 60 HG2 GLU 60 -1.335 10.738 8.057 513 HG3 GLU 60 HG3 GLU 60 -1.194 8.998 8.297 514 H TYR 61 H TYR 61 0.087 7.570 4.513 515 HA TYR 61 HA TYR 61 1.918 8.634 2.676 516 HB2 TYR 61 HB2 TYR 61 2.076 6.288 3.355 517 HB3 TYR 61 HB3 TYR 61 0.486 5.983 2.691 518 HD1 TYR 61 HD1 TYR 61 3.875 7.144 1.606 519 HD2 TYR 61 HD2 TYR 61 0.289 5.092 0.607 520 HE1 TYR 61 HE1 TYR 61 4.857 6.482 -0.556 521 HE2 TYR 61 HE2 TYR 61 1.210 4.431 -1.504 522 HH TYR 61 HH TYR 61 4.562 4.762 -2.272 523 H LEU 62 H LEU 62 -1.378 7.383 2.128 524 HA LEU 62 HA LEU 62 -1.229 8.300 -0.553 525 HB2 LEU 62 HB2 LEU 62 -3.676 7.317 0.904 526 HB3 LEU 62 HB3 LEU 62 -3.642 7.760 -0.786 527 HG LEU 62 HG LEU 62 -1.679 5.884 -0.766 528 HD11 LEU 62 HD11 LEU 62 -2.209 4.053 0.542 529 HD12 LEU 62 HD12 LEU 62 -3.423 5.001 1.406 530 HD13 LEU 62 HD13 LEU 62 -1.718 5.459 1.484 531 HD21 LEU 62 HD21 LEU 62 -3.629 5.895 -2.255 532 HD22 LEU 62 HD22 LEU 62 -4.633 5.301 -0.932 533 HD23 LEU 62 HD23 LEU 62 -3.335 4.294 -1.576 534 H GLU 63 H GLU 63 -2.411 9.717 2.398 535 HA GLU 63 HA GLU 63 -3.858 11.853 1.366 536 HB2 GLU 63 HB2 GLU 63 -3.558 11.404 3.773 537 HB3 GLU 63 HB3 GLU 63 -1.860 11.839 3.635 538 HG2 GLU 63 HG2 GLU 63 -2.531 14.088 2.941 539 HG3 GLU 63 HG3 GLU 63 -4.215 13.625 3.215 540 H LYS 64 H LYS 64 -0.437 11.499 1.978 541 HA LYS 64 HA LYS 64 0.609 13.860 0.998 542 HB2 LYS 64 HB2 LYS 64 1.855 12.225 2.245 543 HB3 LYS 64 HB3 LYS 64 1.688 11.058 0.948 544 HG2 LYS 64 HG2 LYS 64 3.806 11.849 0.789 545 HG3 LYS 64 HG3 LYS 64 2.931 12.630 -0.492 546 HD2 LYS 64 HD2 LYS 64 2.632 14.670 0.771 547 HD3 LYS 64 HD3 LYS 64 3.441 13.959 2.166 548 HE2 LYS 64 HE2 LYS 64 5.504 13.783 0.857 549 HE3 LYS 64 HE3 LYS 64 4.677 14.513 -0.519 550 HZ1 LYS 64 HZ1 LYS 64 5.118 15.791 2.114 551 HZ2 LYS 64 HZ2 LYS 64 4.320 16.505 0.818 552 HZ3 LYS 64 HZ3 LYS 64 5.961 16.157 0.708 553 H ALA 65 H ALA 65 0.808 10.778 -0.626 554 HA ALA 65 HA ALA 65 1.560 11.650 -3.141 555 HB1 ALA 65 HB1 ALA 65 1.028 9.472 -3.982 556 HB2 ALA 65 HB2 ALA 65 -0.004 9.156 -2.590 557 HB3 ALA 65 HB3 ALA 65 1.741 9.335 -2.369 558 H LEU 66 H LEU 66 -1.794 11.344 -1.983 559 HA LEU 66 HA LEU 66 -2.745 11.735 -4.658 560 HB2 LEU 66 HB2 LEU 66 -4.293 11.661 -2.070 561 HB3 LEU 66 HB3 LEU 66 -5.011 11.748 -3.661 562 HG LEU 66 HG LEU 66 -3.407 9.442 -2.558 563 HD11 LEU 66 HD11 LEU 66 -6.338 9.695 -3.185 564 HD12 LEU 66 HD12 LEU 66 -5.609 9.611 -1.578 565 HD13 LEU 66 HD13 LEU 66 -5.519 8.226 -2.664 566 HD21 LEU 66 HD21 LEU 66 -4.781 9.741 -5.231 567 HD22 LEU 66 HD22 LEU 66 -4.044 8.263 -4.619 568 HD23 LEU 66 HD23 LEU 66 -3.039 9.672 -4.964 569 H ASN 67 H ASN 67 -2.424 13.697 -1.724 570 HA ASN 67 HA ASN 67 -3.769 15.954 -2.949 571 HB2 ASN 67 HB2 ASN 67 -3.869 15.450 -0.470 572 HB3 ASN 67 HB3 ASN 67 -2.165 15.866 -0.372 573 HD21 ASN 67 HD21 ASN 67 -2.591 17.537 1.072 574 HD22 ASN 67 HD22 ASN 67 -3.316 19.013 0.586 575 H LYS 68 H LYS 68 -0.768 14.588 -3.076 576 HA LYS 68 HA LYS 68 1.073 16.636 -3.412 577 HB2 LYS 68 HB2 LYS 68 1.641 14.281 -3.280 578 HB3 LYS 68 HB3 LYS 68 0.832 13.984 -4.806 579 HG2 LYS 68 HG2 LYS 68 2.484 15.371 -5.947 580 HG3 LYS 68 HG3 LYS 68 3.296 15.662 -4.403 581 HD2 LYS 68 HD2 LYS 68 3.667 13.330 -4.118 582 HD3 LYS 68 HD3 LYS 68 2.813 12.962 -5.614 583 HE2 LYS 68 HE2 LYS 68 4.509 14.251 -6.864 584 HE3 LYS 68 HE3 LYS 68 5.377 14.535 -5.356 585 HZ1 LYS 68 HZ1 LYS 68 4.838 11.884 -6.571 586 HZ2 LYS 68 HZ2 LYS 68 5.644 12.146 -5.115 587 HZ3 LYS 68 HZ3 LYS 68 6.328 12.679 -6.561 Start of MODEL 9 1 H LYS 1 H LYS 1 -15.703 -30.383 -16.857 2 HA LYS 1 HA LYS 1 -17.036 -29.107 -15.379 3 HB2 LYS 1 HB2 LYS 1 -14.897 -29.792 -13.349 4 HB3 LYS 1 HB3 LYS 1 -16.191 -28.631 -13.131 5 HG2 LYS 1 HG2 LYS 1 -17.837 -30.433 -13.238 6 HG3 LYS 1 HG3 LYS 1 -16.544 -31.603 -13.500 7 HD2 LYS 1 HD2 LYS 1 -17.231 -31.620 -11.163 8 HD3 LYS 1 HD3 LYS 1 -15.586 -31.004 -11.305 9 HE2 LYS 1 HE2 LYS 1 -16.467 -28.700 -11.157 10 HE3 LYS 1 HE3 LYS 1 -18.095 -29.357 -10.965 11 HZ1 LYS 1 HZ1 LYS 1 -17.343 -30.401 -8.881 12 HZ2 LYS 1 HZ2 LYS 1 -17.146 -28.736 -8.875 13 HZ3 LYS 1 HZ3 LYS 1 -15.810 -29.715 -9.105 14 HA PRO 2 HA PRO 2 -13.960 -26.234 -17.065 15 HB2 PRO 2 HB2 PRO 2 -16.045 -24.227 -16.468 16 HB3 PRO 2 HB3 PRO 2 -15.287 -24.609 -18.016 17 HG2 PRO 2 HG2 PRO 2 -17.837 -25.278 -17.509 18 HG3 PRO 2 HG3 PRO 2 -16.774 -26.317 -18.476 19 HD2 PRO 2 HD2 PRO 2 -17.597 -26.586 -15.614 20 HD3 PRO 2 HD3 PRO 2 -17.442 -27.836 -16.872 21 H VAL 3 H VAL 3 -12.548 -24.805 -16.012 22 HA VAL 3 HA VAL 3 -12.870 -24.693 -13.154 23 HB VAL 3 HB VAL 3 -10.642 -23.503 -14.841 24 HG11 VAL 3 HG11 VAL 3 -10.752 -24.089 -11.883 25 HG12 VAL 3 HG12 VAL 3 -10.782 -22.495 -12.634 26 HG13 VAL 3 HG13 VAL 3 -9.341 -23.503 -12.765 27 HG21 VAL 3 HG21 VAL 3 -9.332 -25.490 -14.234 28 HG22 VAL 3 HG22 VAL 3 -10.766 -25.921 -15.164 29 HG23 VAL 3 HG23 VAL 3 -10.742 -26.170 -13.419 30 H SER 4 H SER 4 -14.533 -23.365 -12.741 31 HA SER 4 HA SER 4 -14.720 -20.793 -13.978 32 HB2 SER 4 HB2 SER 4 -16.368 -22.045 -11.780 33 HB3 SER 4 HB3 SER 4 -16.788 -20.603 -12.717 34 HG SER 4 HG SER 4 -16.543 -22.024 -14.592 35 H LEU 5 H LEU 5 -13.407 -19.257 -13.304 36 HA LEU 5 HA LEU 5 -12.433 -19.256 -10.579 37 HB2 LEU 5 HB2 LEU 5 -10.866 -18.880 -12.434 38 HB3 LEU 5 HB3 LEU 5 -11.781 -17.469 -12.916 39 HG LEU 5 HG LEU 5 -11.176 -16.364 -10.788 40 HD11 LEU 5 HD11 LEU 5 -10.865 -18.317 -9.393 41 HD12 LEU 5 HD12 LEU 5 -9.414 -17.316 -9.387 42 HD13 LEU 5 HD13 LEU 5 -9.459 -18.795 -10.344 43 HD21 LEU 5 HD21 LEU 5 -8.828 -17.366 -12.395 44 HD22 LEU 5 HD22 LEU 5 -8.830 -15.953 -11.341 45 HD23 LEU 5 HD23 LEU 5 -9.839 -15.976 -12.786 46 H SER 6 H SER 6 -13.090 -17.863 -9.041 47 HA SER 6 HA SER 6 -15.260 -16.094 -9.663 48 HB2 SER 6 HB2 SER 6 -15.260 -15.938 -7.114 49 HB3 SER 6 HB3 SER 6 -15.628 -17.522 -7.804 50 HG SER 6 HG SER 6 -13.511 -16.718 -6.249 51 H TYR 7 H TYR 7 -15.128 -13.912 -8.456 52 HA TYR 7 HA TYR 7 -12.740 -12.633 -9.357 53 HB2 TYR 7 HB2 TYR 7 -15.089 -11.479 -7.839 54 HB3 TYR 7 HB3 TYR 7 -13.760 -10.533 -8.510 55 HD1 TYR 7 HD1 TYR 7 -13.334 -10.756 -11.019 56 HD2 TYR 7 HD2 TYR 7 -16.965 -11.939 -9.165 57 HE1 TYR 7 HE1 TYR 7 -14.460 -10.642 -13.177 58 HE2 TYR 7 HE2 TYR 7 -18.114 -11.832 -11.334 59 HH TYR 7 HH TYR 7 -16.405 -11.607 -14.242 60 H ARG 8 H ARG 8 -11.105 -13.384 -8.274 61 HA ARG 8 HA ARG 8 -11.061 -13.193 -5.378 62 HB2 ARG 8 HB2 ARG 8 -8.965 -14.395 -5.490 63 HB3 ARG 8 HB3 ARG 8 -10.146 -15.215 -6.497 64 HG2 ARG 8 HG2 ARG 8 -9.154 -14.201 -8.484 65 HG3 ARG 8 HG3 ARG 8 -7.976 -13.368 -7.467 66 HD2 ARG 8 HD2 ARG 8 -8.288 -16.334 -7.862 67 HD3 ARG 8 HD3 ARG 8 -6.937 -15.331 -8.383 68 HE ARG 8 HE ARG 8 -7.522 -16.289 -5.715 69 HH11 ARG 8 HH11 ARG 8 -5.466 -14.145 -7.668 70 HH12 ARG 8 HH12 ARG 8 -4.186 -14.153 -6.539 71 HH21 ARG 8 HH21 ARG 8 -5.785 -16.282 -4.219 72 HH22 ARG 8 HH22 ARG 8 -4.353 -15.393 -4.538 73 H CYS 9 H CYS 9 -8.937 -12.299 -4.470 74 HA CYS 9 HA CYS 9 -8.437 -9.770 -5.849 75 HB2 CYS 9 HB2 CYS 9 -8.217 -10.382 -2.901 76 HB3 CYS 9 HB3 CYS 9 -8.079 -8.812 -3.666 77 HA PRO 10 HA PRO 10 -4.143 -10.908 -6.522 78 HB2 PRO 10 HB2 PRO 10 -3.752 -8.022 -5.777 79 HB3 PRO 10 HB3 PRO 10 -3.090 -8.929 -7.141 80 HG2 PRO 10 HG2 PRO 10 -5.115 -7.294 -7.531 81 HG3 PRO 10 HG3 PRO 10 -5.099 -8.885 -8.311 82 HD2 PRO 10 HD2 PRO 10 -6.670 -7.951 -5.950 83 HD3 PRO 10 HD3 PRO 10 -7.138 -9.050 -7.265 84 H CYS 11 H CYS 11 -4.956 -8.874 -3.728 85 HA CYS 11 HA CYS 11 -3.078 -10.491 -2.223 86 HB2 CYS 11 HB2 CYS 11 -3.539 -7.530 -1.933 87 HB3 CYS 11 HB3 CYS 11 -2.738 -8.506 -0.707 88 H ARG 12 H ARG 12 -4.283 -11.837 -1.202 89 HA ARG 12 HA ARG 12 -6.756 -10.965 0.039 90 HB2 ARG 12 HB2 ARG 12 -5.364 -13.649 0.130 91 HB3 ARG 12 HB3 ARG 12 -6.964 -13.303 0.762 92 HG2 ARG 12 HG2 ARG 12 -7.726 -12.781 -1.528 93 HG3 ARG 12 HG3 ARG 12 -6.124 -13.208 -2.128 94 HD2 ARG 12 HD2 ARG 12 -7.975 -15.051 -0.623 95 HD3 ARG 12 HD3 ARG 12 -7.705 -15.056 -2.367 96 HE ARG 12 HE ARG 12 -5.236 -15.385 -1.478 97 HH11 ARG 12 HH11 ARG 12 -8.190 -17.030 -0.368 98 HH12 ARG 12 HH12 ARG 12 -7.391 -18.498 -0.035 99 HH21 ARG 12 HH21 ARG 12 -4.184 -17.360 -1.012 100 HH22 ARG 12 HH22 ARG 12 -5.069 -18.699 -0.402 101 H PHE 13 H PHE 13 -3.497 -11.951 0.857 102 HA PHE 13 HA PHE 13 -4.007 -11.278 3.649 103 HB2 PHE 13 HB2 PHE 13 -1.682 -12.773 2.413 104 HB3 PHE 13 HB3 PHE 13 -1.943 -12.506 4.133 105 HD1 PHE 13 HD1 PHE 13 -3.709 -13.707 5.315 106 HD2 PHE 13 HD2 PHE 13 -2.914 -14.409 1.200 107 HE1 PHE 13 HE1 PHE 13 -5.014 -15.787 5.420 108 HE2 PHE 13 HE2 PHE 13 -4.208 -16.468 1.279 109 HZ PHE 13 HZ PHE 13 -5.274 -17.181 3.401 110 H PHE 14 H PHE 14 -2.861 -9.682 4.598 111 HA PHE 14 HA PHE 14 -0.874 -8.105 3.034 112 HB2 PHE 14 HB2 PHE 14 -3.044 -7.072 4.829 113 HB3 PHE 14 HB3 PHE 14 -1.875 -6.089 3.964 114 HD1 PHE 14 HD1 PHE 14 -4.945 -8.084 3.735 115 HD2 PHE 14 HD2 PHE 14 -2.272 -5.534 1.630 116 HE1 PHE 14 HE1 PHE 14 -6.604 -7.820 1.950 117 HE2 PHE 14 HE2 PHE 14 -3.921 -5.267 -0.149 118 HZ PHE 14 HZ PHE 14 -6.098 -6.408 0.005 119 H GLU 15 H GLU 15 0.780 -7.266 4.320 120 HA GLU 15 HA GLU 15 1.095 -8.523 6.863 121 HB2 GLU 15 HB2 GLU 15 2.895 -8.156 5.125 122 HB3 GLU 15 HB3 GLU 15 2.726 -6.434 5.406 123 HG2 GLU 15 HG2 GLU 15 4.580 -7.233 6.515 124 HG3 GLU 15 HG3 GLU 15 3.371 -6.774 7.727 125 H SER 16 H SER 16 0.319 -7.519 8.658 126 HA SER 16 HA SER 16 -0.698 -4.805 8.330 127 HB2 SER 16 HB2 SER 16 -1.327 -6.866 10.431 128 HB3 SER 16 HB3 SER 16 -2.139 -5.308 10.228 129 HG SER 16 HG SER 16 -1.960 -7.176 8.136 130 H HIS 17 H HIS 17 2.053 -6.066 9.301 131 HA HIS 17 HA HIS 17 2.448 -3.924 11.255 132 HB2 HIS 17 HB2 HIS 17 2.636 -6.097 12.434 133 HB3 HIS 17 HB3 HIS 17 3.826 -6.635 11.261 134 HD1 HIS 17 HD1 HIS 17 3.448 -4.450 14.302 135 HD2 HIS 17 HD2 HIS 17 6.439 -5.608 11.652 136 HE1 HIS 17 HE1 HIS 17 5.590 -3.704 15.335 137 HE2 HIS 17 HE2 HIS 17 7.380 -4.617 13.847 138 H VAL 18 H VAL 18 3.082 -2.496 9.697 139 HA VAL 18 HA VAL 18 5.685 -3.102 8.555 140 HB VAL 18 HB VAL 18 3.556 -1.640 6.975 141 HG11 VAL 18 HG11 VAL 18 5.109 -1.980 5.082 142 HG12 VAL 18 HG12 VAL 18 6.257 -2.725 6.191 143 HG13 VAL 18 HG13 VAL 18 5.819 -1.034 6.392 144 HG21 VAL 18 HG21 VAL 18 2.874 -3.982 7.196 145 HG22 VAL 18 HG22 VAL 18 4.459 -4.503 6.625 146 HG23 VAL 18 HG23 VAL 18 3.375 -3.631 5.540 147 H ALA 19 H ALA 19 7.003 -1.271 8.278 148 HA ALA 19 HA ALA 19 6.120 1.089 9.757 149 HB1 ALA 19 HB1 ALA 19 8.516 1.359 10.364 150 HB2 ALA 19 HB2 ALA 19 8.844 -0.176 9.536 151 HB3 ALA 19 HB3 ALA 19 7.813 -0.148 10.947 152 H ARG 20 H ARG 20 6.484 3.074 8.862 153 HA ARG 20 HA ARG 20 6.578 3.424 6.102 154 HB2 ARG 20 HB2 ARG 20 5.645 5.099 7.535 155 HB3 ARG 20 HB3 ARG 20 7.164 5.324 8.365 156 HG2 ARG 20 HG2 ARG 20 6.644 7.201 6.907 157 HG3 ARG 20 HG3 ARG 20 8.113 6.386 6.396 158 HD2 ARG 20 HD2 ARG 20 6.946 5.322 4.575 159 HD3 ARG 20 HD3 ARG 20 5.398 5.915 5.164 160 HE ARG 20 HE ARG 20 6.613 8.189 4.813 161 HH11 ARG 20 HH11 ARG 20 6.763 5.388 2.623 162 HH12 ARG 20 HH12 ARG 20 6.799 6.314 1.206 163 HH21 ARG 20 HH21 ARG 20 6.673 9.459 2.824 164 HH22 ARG 20 HH22 ARG 20 6.746 8.680 1.326 165 H ALA 21 H ALA 21 9.263 3.629 8.410 166 HA ALA 21 HA ALA 21 11.165 4.375 6.356 167 HB1 ALA 21 HB1 ALA 21 11.397 5.233 8.651 168 HB2 ALA 21 HB2 ALA 21 12.825 4.322 8.154 169 HB3 ALA 21 HB3 ALA 21 11.643 3.586 9.232 170 H ASN 22 H ASN 22 9.755 1.615 7.242 171 HA ASN 22 HA ASN 22 11.959 -0.247 6.965 172 HB2 ASN 22 HB2 ASN 22 10.361 -0.722 8.593 173 HB3 ASN 22 HB3 ASN 22 9.004 -0.468 7.499 174 HD21 ASN 22 HD21 ASN 22 11.826 -2.439 6.791 175 HD22 ASN 22 HD22 ASN 22 10.982 -3.926 6.898 176 H VAL 23 H VAL 23 9.412 1.082 5.026 177 HA VAL 23 HA VAL 23 9.751 -0.929 2.958 178 HB VAL 23 HB VAL 23 7.877 1.450 3.072 179 HG11 VAL 23 HG11 VAL 23 6.754 0.428 1.181 180 HG12 VAL 23 HG12 VAL 23 8.035 -0.794 1.082 181 HG13 VAL 23 HG13 VAL 23 8.406 0.904 0.787 182 HG21 VAL 23 HG21 VAL 23 6.158 -0.242 3.402 183 HG22 VAL 23 HG22 VAL 23 7.349 -0.242 4.706 184 HG23 VAL 23 HG23 VAL 23 7.403 -1.489 3.460 185 H LYS 24 H LYS 24 10.809 -0.687 1.133 186 HA LYS 24 HA LYS 24 12.428 1.726 0.632 187 HB2 LYS 24 HB2 LYS 24 13.465 0.442 -1.095 188 HB3 LYS 24 HB3 LYS 24 13.462 -0.498 0.392 189 HG2 LYS 24 HG2 LYS 24 11.820 -1.964 -0.389 190 HG3 LYS 24 HG3 LYS 24 11.319 -0.866 -1.666 191 HD2 LYS 24 HD2 LYS 24 13.931 -2.401 -1.560 192 HD3 LYS 24 HD3 LYS 24 12.499 -2.754 -2.555 193 HE2 LYS 24 HE2 LYS 24 12.708 -0.547 -3.592 194 HE3 LYS 24 HE3 LYS 24 14.150 -0.250 -2.728 195 HZ1 LYS 24 HZ1 LYS 24 14.721 -1.082 -4.914 196 HZ2 LYS 24 HZ2 LYS 24 13.852 -2.499 -4.641 197 HZ3 LYS 24 HZ3 LYS 24 15.231 -2.164 -3.736 198 H HIS 25 H HIS 25 9.637 0.109 -0.557 199 HA HIS 25 HA HIS 25 9.162 2.158 -2.511 200 HB2 HIS 25 HB2 HIS 25 10.831 0.908 -3.674 201 HB3 HIS 25 HB3 HIS 25 10.037 -0.599 -3.287 202 HD1 HIS 25 HD1 HIS 25 8.345 2.454 -4.895 203 HD2 HIS 25 HD2 HIS 25 9.519 -1.433 -5.669 204 HE1 HIS 25 HE1 HIS 25 7.329 1.931 -7.104 205 HE2 HIS 25 HE2 HIS 25 8.322 -0.291 -7.720 206 H LEU 26 H LEU 26 7.061 2.408 -2.647 207 HA LEU 26 HA LEU 26 5.214 0.233 -1.947 208 HB2 LEU 26 HB2 LEU 26 4.929 3.211 -2.048 209 HB3 LEU 26 HB3 LEU 26 3.587 2.133 -1.709 210 HG LEU 26 HG LEU 26 6.057 2.379 0.039 211 HD11 LEU 26 HD11 LEU 26 4.630 3.627 1.567 212 HD12 LEU 26 HD12 LEU 26 3.311 3.569 0.401 213 HD13 LEU 26 HD13 LEU 26 4.781 4.473 0.029 214 HD21 LEU 26 HD21 LEU 26 4.913 0.270 0.196 215 HD22 LEU 26 HD22 LEU 26 3.378 1.088 0.475 216 HD23 LEU 26 HD23 LEU 26 4.675 1.214 1.667 217 H LYS 27 H LYS 27 4.001 -0.589 -3.566 218 HA LYS 27 HA LYS 27 3.508 1.027 -5.967 219 HB2 LYS 27 HB2 LYS 27 5.363 -0.862 -6.131 220 HB3 LYS 27 HB3 LYS 27 4.038 -1.947 -6.010 221 HG2 LYS 27 HG2 LYS 27 4.254 0.120 -8.192 222 HG3 LYS 27 HG3 LYS 27 4.851 -1.521 -8.332 223 HD2 LYS 27 HD2 LYS 27 1.974 -0.744 -7.827 224 HD3 LYS 27 HD3 LYS 27 2.638 -1.197 -9.397 225 HE2 LYS 27 HE2 LYS 27 3.250 -3.400 -8.439 226 HE3 LYS 27 HE3 LYS 27 2.476 -2.919 -6.934 227 HZ1 LYS 27 HZ1 LYS 27 0.930 -4.231 -8.243 228 HZ2 LYS 27 HZ2 LYS 27 1.171 -3.262 -9.571 229 HZ3 LYS 27 HZ3 LYS 27 0.371 -2.628 -8.250 230 H ILE 28 H ILE 28 1.372 1.338 -5.688 231 HA ILE 28 HA ILE 28 -0.141 -0.766 -4.356 232 HB ILE 28 HB ILE 28 -1.127 2.034 -4.958 233 HG12 ILE 28 HG12 ILE 28 0.097 0.849 -2.477 234 HG13 ILE 28 HG13 ILE 28 0.798 2.120 -3.463 235 HG21 ILE 28 HG21 ILE 28 -2.898 0.319 -4.588 236 HG22 ILE 28 HG22 ILE 28 -2.834 1.494 -3.273 237 HG23 ILE 28 HG23 ILE 28 -2.123 -0.104 -3.054 238 HD11 ILE 28 HD11 ILE 28 -0.153 2.977 -1.386 239 HD12 ILE 28 HD12 ILE 28 -1.724 2.335 -1.821 240 HD13 ILE 28 HD13 ILE 28 -1.018 3.642 -2.781 241 H LEU 29 H LEU 29 -1.497 -2.052 -5.314 242 HA LEU 29 HA LEU 29 -2.256 -1.615 -8.095 243 HB2 LEU 29 HB2 LEU 29 -1.092 -3.697 -7.727 244 HB3 LEU 29 HB3 LEU 29 -2.118 -4.071 -6.359 245 HG LEU 29 HG LEU 29 -4.011 -4.469 -7.810 246 HD11 LEU 29 HD11 LEU 29 -3.565 -2.831 -9.543 247 HD12 LEU 29 HD12 LEU 29 -3.789 -4.424 -10.254 248 HD13 LEU 29 HD13 LEU 29 -2.164 -3.752 -10.086 249 HD21 LEU 29 HD21 LEU 29 -1.533 -5.860 -8.786 250 HD22 LEU 29 HD22 LEU 29 -3.188 -6.427 -9.002 251 HD23 LEU 29 HD23 LEU 29 -2.498 -6.310 -7.380 252 H ASN 30 H ASN 30 -4.149 -0.634 -8.186 253 HA ASN 30 HA ASN 30 -6.106 -1.111 -6.121 254 HB2 ASN 30 HB2 ASN 30 -7.370 0.732 -7.164 255 HB3 ASN 30 HB3 ASN 30 -5.726 1.206 -6.788 256 HD21 ASN 30 HD21 ASN 30 -7.999 0.565 -9.299 257 HD22 ASN 30 HD22 ASN 30 -7.052 1.194 -10.596 258 H THR 31 H THR 31 -7.798 -2.391 -6.340 259 HA THR 31 HA THR 31 -8.428 -3.338 -9.029 260 HB THR 31 HB THR 31 -8.630 -4.876 -6.451 261 HG1 THR 31 HG1 THR 31 -6.595 -4.462 -8.227 262 HG21 THR 31 HG21 THR 31 -9.001 -6.840 -7.917 263 HG22 THR 31 HG22 THR 31 -8.961 -5.779 -9.324 264 HG23 THR 31 HG23 THR 31 -10.254 -5.618 -8.135 265 HA PRO 32 HA PRO 32 -12.321 -1.152 -8.606 266 HB2 PRO 32 HB2 PRO 32 -13.156 -3.660 -9.980 267 HB3 PRO 32 HB3 PRO 32 -13.613 -2.001 -10.349 268 HG2 PRO 32 HG2 PRO 32 -11.743 -3.197 -11.776 269 HG3 PRO 32 HG3 PRO 32 -11.524 -1.511 -11.279 270 HD2 PRO 32 HD2 PRO 32 -10.145 -3.956 -10.261 271 HD3 PRO 32 HD3 PRO 32 -9.600 -2.263 -10.337 272 H ASN 33 H ASN 33 -11.957 -4.320 -7.204 273 HA ASN 33 HA ASN 33 -14.358 -3.961 -5.633 274 HB2 ASN 33 HB2 ASN 33 -15.154 -6.293 -6.206 275 HB3 ASN 33 HB3 ASN 33 -15.330 -5.103 -7.483 276 HD21 ASN 33 HD21 ASN 33 -15.365 -6.598 -9.124 277 HD22 ASN 33 HD22 ASN 33 -13.987 -7.480 -9.625 278 H CYS 34 H CYS 34 -11.269 -4.430 -5.584 279 HA CYS 34 HA CYS 34 -11.375 -6.156 -3.251 280 HB2 CYS 34 HB2 CYS 34 -9.449 -6.353 -5.543 281 HB3 CYS 34 HB3 CYS 34 -9.119 -7.024 -3.947 282 H ALA 35 H ALA 35 -11.149 -3.232 -4.070 283 HA ALA 35 HA ALA 35 -10.349 -1.359 -3.081 284 HB1 ALA 35 HB1 ALA 35 -8.924 -3.267 -1.352 285 HB2 ALA 35 HB2 ALA 35 -10.580 -2.686 -1.067 286 HB3 ALA 35 HB3 ALA 35 -9.188 -1.554 -0.957 287 H LEU 36 H LEU 36 -7.975 -0.606 -2.089 288 HA LEU 36 HA LEU 36 -6.270 -1.265 -4.259 289 HB2 LEU 36 HB2 LEU 36 -4.949 0.790 -3.693 290 HB3 LEU 36 HB3 LEU 36 -6.568 1.052 -4.272 291 HG LEU 36 HG LEU 36 -7.177 1.381 -1.780 292 HD11 LEU 36 HD11 LEU 36 -4.205 1.802 -1.622 293 HD12 LEU 36 HD12 LEU 36 -5.127 0.536 -0.814 294 HD13 LEU 36 HD13 LEU 36 -5.383 2.235 -0.386 295 HD21 LEU 36 HD21 LEU 36 -5.463 3.307 -3.287 296 HD22 LEU 36 HD22 LEU 36 -6.539 3.739 -1.940 297 HD23 LEU 36 HD23 LEU 36 -7.202 3.078 -3.445 298 H GLN 37 H GLN 37 -4.904 -2.648 -4.083 299 HA GLN 37 HA GLN 37 -3.999 -3.562 -1.475 300 HB2 GLN 37 HB2 GLN 37 -3.996 -4.720 -4.240 301 HB3 GLN 37 HB3 GLN 37 -3.151 -5.464 -2.895 302 HG2 GLN 37 HG2 GLN 37 -5.038 -6.273 -1.982 303 HG3 GLN 37 HG3 GLN 37 -5.944 -4.807 -2.326 304 HE21 GLN 37 HE21 GLN 37 -5.569 -4.708 -5.030 305 HE22 GLN 37 HE22 GLN 37 -6.434 -5.989 -5.786 306 H ILE 38 H ILE 38 -2.023 -3.181 -0.853 307 HA ILE 38 HA ILE 38 -0.360 -1.571 -2.617 308 HB ILE 38 HB ILE 38 -0.345 -2.124 0.299 309 HG12 ILE 38 HG12 ILE 38 -1.300 0.348 -1.134 310 HG13 ILE 38 HG13 ILE 38 -2.335 -0.932 -0.520 311 HG21 ILE 38 HG21 ILE 38 1.888 -1.474 -0.402 312 HG22 ILE 38 HG22 ILE 38 1.175 -0.107 0.441 313 HG23 ILE 38 HG23 ILE 38 1.279 -0.112 -1.326 314 HD11 ILE 38 HD11 ILE 38 -1.628 -0.448 1.727 315 HD12 ILE 38 HD12 ILE 38 -2.248 1.009 0.901 316 HD13 ILE 38 HD13 ILE 38 -0.508 0.775 1.094 317 H VAL 39 H VAL 39 1.524 -2.431 -3.381 318 HA VAL 39 HA VAL 39 2.564 -4.833 -2.052 319 HB VAL 39 HB VAL 39 3.010 -3.838 -4.884 320 HG11 VAL 39 HG11 VAL 39 4.965 -4.944 -4.079 321 HG12 VAL 39 HG12 VAL 39 4.166 -5.981 -5.264 322 HG13 VAL 39 HG13 VAL 39 4.022 -6.335 -3.535 323 HG21 VAL 39 HG21 VAL 39 1.772 -5.840 -5.604 324 HG22 VAL 39 HG22 VAL 39 0.773 -4.741 -4.648 325 HG23 VAL 39 HG23 VAL 39 1.418 -6.215 -3.917 326 H ALA 40 H ALA 40 4.310 -4.492 -0.959 327 HA ALA 40 HA ALA 40 6.037 -2.239 -1.718 328 HB1 ALA 40 HB1 ALA 40 6.167 -1.519 0.558 329 HB2 ALA 40 HB2 ALA 40 5.107 -2.847 1.045 330 HB3 ALA 40 HB3 ALA 40 4.479 -1.586 0.012 331 H ARG 41 H ARG 41 8.188 -2.574 -1.303 332 HA ARG 41 HA ARG 41 8.849 -5.087 -0.054 333 HB2 ARG 41 HB2 ARG 41 9.772 -3.791 -2.417 334 HB3 ARG 41 HB3 ARG 41 11.124 -4.180 -1.373 335 HG2 ARG 41 HG2 ARG 41 10.442 -6.446 -1.245 336 HG3 ARG 41 HG3 ARG 41 8.959 -6.128 -2.115 337 HD2 ARG 41 HD2 ARG 41 11.749 -5.887 -3.126 338 HD3 ARG 41 HD3 ARG 41 10.549 -7.184 -3.443 339 HE ARG 41 HE ARG 41 9.672 -4.554 -4.198 340 HH11 ARG 41 HH11 ARG 41 11.406 -7.425 -5.295 341 HH12 ARG 41 HH12 ARG 41 11.067 -7.178 -6.939 342 HH21 ARG 41 HH21 ARG 41 9.223 -4.193 -6.473 343 HH22 ARG 41 HH22 ARG 41 9.802 -5.278 -7.632 344 H LEU 42 H LEU 42 10.378 -5.185 1.423 345 HA LEU 42 HA LEU 42 10.721 -2.752 2.965 346 HB2 LEU 42 HB2 LEU 42 11.827 -5.464 3.665 347 HB3 LEU 42 HB3 LEU 42 11.514 -4.111 4.702 348 HG LEU 42 HG LEU 42 9.378 -5.752 3.381 349 HD11 LEU 42 HD11 LEU 42 10.221 -5.580 6.251 350 HD12 LEU 42 HD12 LEU 42 10.439 -6.955 5.163 351 HD13 LEU 42 HD13 LEU 42 8.816 -6.461 5.648 352 HD21 LEU 42 HD21 LEU 42 9.132 -3.422 5.283 353 HD22 LEU 42 HD22 LEU 42 7.798 -4.444 4.750 354 HD23 LEU 42 HD23 LEU 42 8.665 -3.441 3.586 355 H LYS 43 H LYS 43 12.778 -2.076 3.717 356 HA LYS 43 HA LYS 43 14.692 -1.961 1.620 357 HB2 LYS 43 HB2 LYS 43 14.914 -1.010 4.474 358 HB3 LYS 43 HB3 LYS 43 16.002 -0.589 3.162 359 HG2 LYS 43 HG2 LYS 43 14.190 0.528 1.990 360 HG3 LYS 43 HG3 LYS 43 13.066 0.072 3.272 361 HD2 LYS 43 HD2 LYS 43 13.759 2.369 3.542 362 HD3 LYS 43 HD3 LYS 43 14.407 1.392 4.858 363 HE2 LYS 43 HE2 LYS 43 16.574 1.300 3.735 364 HE3 LYS 43 HE3 LYS 43 15.916 2.235 2.390 365 HZ1 LYS 43 HZ1 LYS 43 15.535 4.064 3.954 366 HZ2 LYS 43 HZ2 LYS 43 17.158 3.631 3.892 367 HZ3 LYS 43 HZ3 LYS 43 16.224 3.156 5.197 368 H ASN 44 H ASN 44 15.033 -3.135 4.960 369 HA ASN 44 HA ASN 44 17.606 -4.303 4.320 370 HB2 ASN 44 HB2 ASN 44 17.273 -3.176 6.483 371 HB3 ASN 44 HB3 ASN 44 16.043 -4.354 6.903 372 HD21 ASN 44 HD21 ASN 44 19.432 -3.786 6.507 373 HD22 ASN 44 HD22 ASN 44 19.977 -5.226 7.281 374 H ASN 45 H ASN 45 14.397 -5.429 5.013 375 HA ASN 45 HA ASN 45 15.315 -8.179 5.086 376 HB2 ASN 45 HB2 ASN 45 13.672 -7.348 6.750 377 HB3 ASN 45 HB3 ASN 45 12.519 -7.092 5.452 378 HD21 ASN 45 HD21 ASN 45 11.102 -8.518 6.575 379 HD22 ASN 45 HD22 ASN 45 11.337 -10.223 6.494 380 H ASN 46 H ASN 46 13.942 -5.990 2.871 381 HA ASN 46 HA ASN 46 13.461 -6.068 0.671 382 HB2 ASN 46 HB2 ASN 46 15.724 -7.140 0.643 383 HB3 ASN 46 HB3 ASN 46 14.937 -8.712 0.703 384 HD21 ASN 46 HD21 ASN 46 15.749 -9.377 -1.240 385 HD22 ASN 46 HD22 ASN 46 15.270 -8.700 -2.756 386 H ARG 47 H ARG 47 11.741 -7.838 2.706 387 HA ARG 47 HA ARG 47 10.499 -9.681 0.945 388 HB2 ARG 47 HB2 ARG 47 9.645 -8.556 3.578 389 HB3 ARG 47 HB3 ARG 47 8.633 -9.625 2.648 390 HG2 ARG 47 HG2 ARG 47 10.447 -11.330 2.788 391 HG3 ARG 47 HG3 ARG 47 11.290 -10.229 3.893 392 HD2 ARG 47 HD2 ARG 47 9.966 -11.807 5.205 393 HD3 ARG 47 HD3 ARG 47 9.326 -10.156 5.293 394 HE ARG 47 HE ARG 47 8.167 -12.055 3.410 395 HH11 ARG 47 HH11 ARG 47 7.758 -10.088 6.334 396 HH12 ARG 47 HH12 ARG 47 6.058 -10.141 6.335 397 HH21 ARG 47 HH21 ARG 47 5.845 -12.167 3.405 398 HH22 ARG 47 HH22 ARG 47 4.929 -11.388 4.609 399 H GLN 48 H GLN 48 8.752 -9.593 -0.135 400 HA GLN 48 HA GLN 48 7.748 -6.926 -0.739 401 HB2 GLN 48 HB2 GLN 48 8.805 -8.485 -2.478 402 HB3 GLN 48 HB3 GLN 48 7.410 -9.518 -2.218 403 HG2 GLN 48 HG2 GLN 48 5.959 -7.687 -2.933 404 HG3 GLN 48 HG3 GLN 48 7.396 -6.718 -3.200 405 HE21 GLN 48 HE21 GLN 48 6.989 -6.497 -5.403 406 HE22 GLN 48 HE22 GLN 48 7.241 -7.798 -6.500 407 H VAL 49 H VAL 49 5.853 -6.530 0.183 408 HA VAL 49 HA VAL 49 4.165 -8.806 0.926 409 HB VAL 49 HB VAL 49 3.642 -7.732 3.066 410 HG11 VAL 49 HG11 VAL 49 5.760 -8.135 4.219 411 HG12 VAL 49 HG12 VAL 49 6.599 -8.129 2.668 412 HG13 VAL 49 HG13 VAL 49 5.420 -9.389 3.028 413 HG21 VAL 49 HG21 VAL 49 4.054 -5.398 2.477 414 HG22 VAL 49 HG22 VAL 49 5.780 -5.722 2.337 415 HG23 VAL 49 HG23 VAL 49 4.984 -5.846 3.907 416 H CYS 50 H CYS 50 1.968 -8.333 1.123 417 HA CYS 50 HA CYS 50 1.103 -6.024 -0.362 418 HB2 CYS 50 HB2 CYS 50 -0.618 -8.103 1.053 419 HB3 CYS 50 HB3 CYS 50 -1.102 -6.925 -0.128 420 H ILE 51 H ILE 51 0.474 -4.236 0.603 421 HA ILE 51 HA ILE 51 0.341 -4.286 3.509 422 HB ILE 51 HB ILE 51 0.948 -1.914 1.714 423 HG12 ILE 51 HG12 ILE 51 2.568 -3.723 3.426 424 HG13 ILE 51 HG13 ILE 51 2.766 -3.371 1.736 425 HG21 ILE 51 HG21 ILE 51 -0.270 -1.238 3.724 426 HG22 ILE 51 HG22 ILE 51 1.415 -0.710 3.784 427 HG23 ILE 51 HG23 ILE 51 0.904 -2.123 4.703 428 HD11 ILE 51 HD11 ILE 51 3.457 -1.081 2.199 429 HD12 ILE 51 HD12 ILE 51 4.508 -2.232 3.026 430 HD13 ILE 51 HD13 ILE 51 3.265 -1.363 3.929 431 H ASP 52 H ASP 52 -1.280 -3.381 4.579 432 HA ASP 52 HA ASP 52 -3.760 -3.444 3.150 433 HB2 ASP 52 HB2 ASP 52 -3.183 -4.507 5.299 434 HB3 ASP 52 HB3 ASP 52 -3.288 -2.934 6.055 435 HA PRO 53 HA PRO 53 -3.884 1.030 2.777 436 HB2 PRO 53 HB2 PRO 53 -6.663 1.107 2.554 437 HB3 PRO 53 HB3 PRO 53 -5.522 0.947 1.224 438 HG2 PRO 53 HG2 PRO 53 -7.078 -1.166 2.643 439 HG3 PRO 53 HG3 PRO 53 -6.652 -1.054 0.926 440 HD2 PRO 53 HD2 PRO 53 -5.443 -2.702 2.587 441 HD3 PRO 53 HD3 PRO 53 -4.550 -1.893 1.279 442 H LYS 54 H LYS 54 -5.498 -0.824 5.287 443 HA LYS 54 HA LYS 54 -6.556 1.543 6.581 444 HB2 LYS 54 HB2 LYS 54 -7.398 0.157 8.291 445 HB3 LYS 54 HB3 LYS 54 -7.747 -0.548 6.723 446 HG2 LYS 54 HG2 LYS 54 -5.946 -2.147 7.045 447 HG3 LYS 54 HG3 LYS 54 -5.592 -1.424 8.621 448 HD2 LYS 54 HD2 LYS 54 -6.998 -3.307 9.055 449 HD3 LYS 54 HD3 LYS 54 -7.872 -1.751 9.190 450 HE2 LYS 54 HE2 LYS 54 -8.975 -2.050 7.091 451 HE3 LYS 54 HE3 LYS 54 -8.012 -3.481 6.723 452 HZ1 LYS 54 HZ1 LYS 54 -10.023 -3.249 8.900 453 HZ2 LYS 54 HZ2 LYS 54 -9.116 -4.622 8.539 454 HZ3 LYS 54 HZ3 LYS 54 -10.247 -4.054 7.431 455 H LEU 55 H LEU 55 -3.447 0.478 6.426 456 HA LEU 55 HA LEU 55 -2.661 0.942 9.124 457 HB2 LEU 55 HB2 LEU 55 -1.236 0.977 6.526 458 HB3 LEU 55 HB3 LEU 55 -0.357 1.330 7.959 459 HG LEU 55 HG LEU 55 -1.724 -1.306 7.287 460 HD11 LEU 55 HD11 LEU 55 1.192 -0.610 7.589 461 HD12 LEU 55 HD12 LEU 55 0.330 -0.821 6.070 462 HD13 LEU 55 HD13 LEU 55 0.514 -2.192 7.168 463 HD21 LEU 55 HD21 LEU 55 -1.815 -0.919 9.708 464 HD22 LEU 55 HD22 LEU 55 -0.079 -0.570 9.705 465 HD23 LEU 55 HD23 LEU 55 -0.639 -2.178 9.301 466 H LYS 56 H LYS 56 -1.980 2.788 10.089 467 HA LYS 56 HA LYS 56 -3.193 5.146 9.099 468 HB2 LYS 56 HB2 LYS 56 -3.121 4.837 11.488 469 HB3 LYS 56 HB3 LYS 56 -1.365 4.826 11.494 470 HG2 LYS 56 HG2 LYS 56 -1.354 7.145 10.709 471 HG3 LYS 56 HG3 LYS 56 -3.114 7.157 10.743 472 HD2 LYS 56 HD2 LYS 56 -3.078 6.789 13.143 473 HD3 LYS 56 HD3 LYS 56 -1.309 6.695 13.113 474 HE2 LYS 56 HE2 LYS 56 -1.200 8.980 12.278 475 HE3 LYS 56 HE3 LYS 56 -2.958 9.076 12.293 476 HZ1 LYS 56 HZ1 LYS 56 -1.254 8.660 14.689 477 HZ2 LYS 56 HZ2 LYS 56 -2.927 8.834 14.679 478 HZ3 LYS 56 HZ3 LYS 56 -1.948 10.130 14.241 479 H TRP 57 H TRP 57 0.203 4.164 9.275 480 HA TRP 57 HA TRP 57 1.128 6.660 8.302 481 HB2 TRP 57 HB2 TRP 57 3.293 5.612 7.926 482 HB3 TRP 57 HB3 TRP 57 2.650 5.049 9.454 483 HD1 TRP 57 HD1 TRP 57 2.059 2.392 9.597 484 HE1 TRP 57 HE1 TRP 57 2.777 0.439 8.144 485 HE3 TRP 57 HE3 TRP 57 3.770 4.987 5.582 486 HZ2 TRP 57 HZ2 TRP 57 3.935 0.023 5.602 487 HZ3 TRP 57 HZ3 TRP 57 4.687 3.754 3.677 488 HH2 TRP 57 HH2 TRP 57 4.754 1.313 3.678 489 H ILE 58 H ILE 58 -0.179 3.900 6.795 490 HA ILE 58 HA ILE 58 0.479 4.604 4.103 491 HB ILE 58 HB ILE 58 -1.640 2.773 5.272 492 HG12 ILE 58 HG12 ILE 58 0.679 1.985 5.448 493 HG13 ILE 58 HG13 ILE 58 -0.246 0.959 4.371 494 HG21 ILE 58 HG21 ILE 58 -2.054 1.962 3.057 495 HG22 ILE 58 HG22 ILE 58 -0.963 3.195 2.394 496 HG23 ILE 58 HG23 ILE 58 -2.475 3.684 3.179 497 HD11 ILE 58 HD11 ILE 58 1.933 1.352 3.450 498 HD12 ILE 58 HD12 ILE 58 1.694 3.096 3.517 499 HD13 ILE 58 HD13 ILE 58 0.711 2.115 2.436 500 H GLN 59 H GLN 59 -2.273 5.191 6.216 501 HA GLN 59 HA GLN 59 -3.818 6.670 4.421 502 HB2 GLN 59 HB2 GLN 59 -3.534 6.934 7.416 503 HB3 GLN 59 HB3 GLN 59 -4.746 7.795 6.477 504 HG2 GLN 59 HG2 GLN 59 -4.486 4.800 6.588 505 HG3 GLN 59 HG3 GLN 59 -5.613 5.743 7.555 506 HE21 GLN 59 HE21 GLN 59 -4.830 4.606 4.398 507 HE22 GLN 59 HE22 GLN 59 -6.320 5.015 3.654 508 H GLU 60 H GLU 60 -1.148 7.656 6.508 509 HA GLU 60 HA GLU 60 -1.186 10.406 5.853 510 HB2 GLU 60 HB2 GLU 60 1.214 8.735 6.631 511 HB3 GLU 60 HB3 GLU 60 1.085 10.481 6.745 512 HG2 GLU 60 HG2 GLU 60 -0.708 10.192 8.422 513 HG3 GLU 60 HG3 GLU 60 -0.456 8.451 8.347 514 H TYR 61 H TYR 61 0.321 7.595 4.423 515 HA TYR 61 HA TYR 61 2.008 8.833 2.558 516 HB2 TYR 61 HB2 TYR 61 2.383 6.515 2.955 517 HB3 TYR 61 HB3 TYR 61 0.719 6.107 2.597 518 HD1 TYR 61 HD1 TYR 61 3.748 7.562 0.944 519 HD2 TYR 61 HD2 TYR 61 0.191 5.266 0.543 520 HE1 TYR 61 HE1 TYR 61 4.333 7.054 -1.393 521 HE2 TYR 61 HE2 TYR 61 0.754 4.756 -1.763 522 HH TYR 61 HH TYR 61 3.845 5.384 -3.033 523 H LEU 62 H LEU 62 -1.268 7.508 2.043 524 HA LEU 62 HA LEU 62 -1.241 8.555 -0.587 525 HB2 LEU 62 HB2 LEU 62 -3.667 7.631 0.953 526 HB3 LEU 62 HB3 LEU 62 -3.666 8.064 -0.741 527 HG LEU 62 HG LEU 62 -1.772 6.099 -0.738 528 HD11 LEU 62 HD11 LEU 62 -2.428 4.281 0.584 529 HD12 LEU 62 HD12 LEU 62 -3.594 5.295 1.428 530 HD13 LEU 62 HD13 LEU 62 -1.868 5.653 1.535 531 HD21 LEU 62 HD21 LEU 62 -3.713 6.208 -2.233 532 HD22 LEU 62 HD22 LEU 62 -4.753 5.666 -0.915 533 HD23 LEU 62 HD23 LEU 62 -3.508 4.594 -1.554 534 H GLU 63 H GLU 63 -2.440 9.765 2.462 535 HA GLU 63 HA GLU 63 -3.814 12.000 1.537 536 HB2 GLU 63 HB2 GLU 63 -3.673 11.182 3.876 537 HB3 GLU 63 HB3 GLU 63 -2.032 11.780 3.948 538 HG2 GLU 63 HG2 GLU 63 -2.792 14.030 3.655 539 HG3 GLU 63 HG3 GLU 63 -4.460 13.459 3.478 540 H LYS 64 H LYS 64 -0.424 11.490 2.218 541 HA LYS 64 HA LYS 64 0.722 13.951 1.731 542 HB2 LYS 64 HB2 LYS 64 1.864 11.994 2.608 543 HB3 LYS 64 HB3 LYS 64 1.702 11.185 1.067 544 HG2 LYS 64 HG2 LYS 64 3.830 11.863 1.078 545 HG3 LYS 64 HG3 LYS 64 3.048 13.092 0.127 546 HD2 LYS 64 HD2 LYS 64 2.925 14.635 2.000 547 HD3 LYS 64 HD3 LYS 64 3.625 13.416 3.069 548 HE2 LYS 64 HE2 LYS 64 5.682 13.449 1.734 549 HE3 LYS 64 HE3 LYS 64 4.981 14.702 0.709 550 HZ1 LYS 64 HZ1 LYS 64 5.501 14.977 3.629 551 HZ2 LYS 64 HZ2 LYS 64 4.901 16.179 2.604 552 HZ3 LYS 64 HZ3 LYS 64 6.461 15.590 2.407 553 H ALA 65 H ALA 65 0.805 11.258 -0.492 554 HA ALA 65 HA ALA 65 1.497 12.653 -2.814 555 HB1 ALA 65 HB1 ALA 65 0.961 10.687 -4.066 556 HB2 ALA 65 HB2 ALA 65 -0.005 10.061 -2.731 557 HB3 ALA 65 HB3 ALA 65 1.748 10.227 -2.552 558 H LEU 66 H LEU 66 -1.786 11.989 -1.622 559 HA LEU 66 HA LEU 66 -2.924 12.845 -4.113 560 HB2 LEU 66 HB2 LEU 66 -4.269 12.239 -1.483 561 HB3 LEU 66 HB3 LEU 66 -5.116 12.593 -2.971 562 HG LEU 66 HG LEU 66 -3.366 10.187 -2.451 563 HD11 LEU 66 HD11 LEU 66 -6.348 10.428 -2.773 564 HD12 LEU 66 HD12 LEU 66 -5.482 10.079 -1.278 565 HD13 LEU 66 HD13 LEU 66 -5.445 8.924 -2.609 566 HD21 LEU 66 HD21 LEU 66 -4.979 10.917 -4.896 567 HD22 LEU 66 HD22 LEU 66 -4.159 9.383 -4.627 568 HD23 LEU 66 HD23 LEU 66 -3.219 10.864 -4.786 569 H ASN 67 H ASN 67 -2.296 14.329 -0.996 570 HA ASN 67 HA ASN 67 -3.839 16.688 -1.717 571 HB2 ASN 67 HB2 ASN 67 -3.739 15.824 0.655 572 HB3 ASN 67 HB3 ASN 67 -2.044 16.265 0.694 573 HD21 ASN 67 HD21 ASN 67 -1.479 18.461 0.866 574 HD22 ASN 67 HD22 ASN 67 -2.646 19.667 1.252 575 H LYS 68 H LYS 68 -0.720 15.482 -2.083 576 HA LYS 68 HA LYS 68 1.064 17.529 -2.109 577 HB2 LYS 68 HB2 LYS 68 1.660 15.254 -2.622 578 HB3 LYS 68 HB3 LYS 68 0.760 15.307 -4.120 579 HG2 LYS 68 HG2 LYS 68 2.313 16.987 -4.991 580 HG3 LYS 68 HG3 LYS 68 3.220 16.925 -3.478 581 HD2 LYS 68 HD2 LYS 68 3.656 14.599 -3.806 582 HD3 LYS 68 HD3 LYS 68 2.715 14.591 -5.296 583 HE2 LYS 68 HE2 LYS 68 5.105 14.692 -5.800 584 HE3 LYS 68 HE3 LYS 68 4.305 16.176 -6.309 585 HZ1 LYS 68 HZ1 LYS 68 5.912 15.836 -3.817 586 HZ2 LYS 68 HZ2 LYS 68 5.156 17.260 -4.318 587 HZ3 LYS 68 HZ3 LYS 68 6.417 16.609 -5.215 Start of MODEL 10 1 H LYS 1 H LYS 1 8.385 -20.091 -10.488 2 HA LYS 1 HA LYS 1 7.511 -22.243 -9.741 3 HB2 LYS 1 HB2 LYS 1 6.788 -19.868 -7.980 4 HB3 LYS 1 HB3 LYS 1 6.891 -21.531 -7.419 5 HG2 LYS 1 HG2 LYS 1 9.226 -21.515 -7.996 6 HG3 LYS 1 HG3 LYS 1 9.068 -19.824 -8.492 7 HD2 LYS 1 HD2 LYS 1 8.226 -19.260 -6.275 8 HD3 LYS 1 HD3 LYS 1 8.442 -20.941 -5.776 9 HE2 LYS 1 HE2 LYS 1 10.771 -20.774 -6.309 10 HE3 LYS 1 HE3 LYS 1 10.511 -19.073 -6.751 11 HZ1 LYS 1 HZ1 LYS 1 10.087 -20.233 -4.048 12 HZ2 LYS 1 HZ2 LYS 1 9.830 -18.621 -4.452 13 HZ3 LYS 1 HZ3 LYS 1 11.385 -19.263 -4.462 14 HA PRO 2 HA PRO 2 3.214 -22.729 -10.491 15 HB2 PRO 2 HB2 PRO 2 2.741 -25.050 -9.187 16 HB3 PRO 2 HB3 PRO 2 3.591 -24.993 -10.738 17 HG2 PRO 2 HG2 PRO 2 4.680 -25.315 -7.982 18 HG3 PRO 2 HG3 PRO 2 5.232 -26.046 -9.498 19 HD2 PRO 2 HD2 PRO 2 6.427 -23.872 -8.279 20 HD3 PRO 2 HD3 PRO 2 6.554 -24.253 -10.009 21 H VAL 3 H VAL 3 2.568 -20.936 -9.284 22 HA VAL 3 HA VAL 3 1.245 -21.570 -6.752 23 HB VAL 3 HB VAL 3 2.905 -19.052 -7.167 24 HG11 VAL 3 HG11 VAL 3 1.372 -19.992 -4.745 25 HG12 VAL 3 HG12 VAL 3 0.945 -18.648 -5.803 26 HG13 VAL 3 HG13 VAL 3 2.402 -18.565 -4.812 27 HG21 VAL 3 HG21 VAL 3 4.377 -19.876 -5.369 28 HG22 VAL 3 HG22 VAL 3 4.392 -20.948 -6.767 29 HG23 VAL 3 HG23 VAL 3 3.470 -21.386 -5.329 30 H SER 4 H SER 4 -0.831 -21.054 -7.120 31 HA SER 4 HA SER 4 -1.303 -18.608 -8.598 32 HB2 SER 4 HB2 SER 4 -1.727 -20.475 -10.134 33 HB3 SER 4 HB3 SER 4 -2.876 -21.162 -8.984 34 HG SER 4 HG SER 4 -3.584 -19.667 -10.833 35 H LEU 5 H LEU 5 -1.725 -17.441 -6.864 36 HA LEU 5 HA LEU 5 -4.084 -18.193 -5.307 37 HB2 LEU 5 HB2 LEU 5 -2.005 -18.051 -3.992 38 HB3 LEU 5 HB3 LEU 5 -1.747 -16.423 -4.565 39 HG LEU 5 HG LEU 5 -3.780 -15.702 -3.368 40 HD11 LEU 5 HD11 LEU 5 -5.018 -17.768 -3.360 41 HD12 LEU 5 HD12 LEU 5 -4.788 -17.208 -1.707 42 HD13 LEU 5 HD13 LEU 5 -3.808 -18.534 -2.336 43 HD21 LEU 5 HD21 LEU 5 -1.731 -17.121 -1.669 44 HD22 LEU 5 HD22 LEU 5 -2.823 -15.845 -1.128 45 HD23 LEU 5 HD23 LEU 5 -1.583 -15.493 -2.327 46 H SER 6 H SER 6 -2.779 -16.157 -7.625 47 HA SER 6 HA SER 6 -4.716 -14.081 -7.079 48 HB2 SER 6 HB2 SER 6 -3.388 -12.747 -8.737 49 HB3 SER 6 HB3 SER 6 -2.487 -13.218 -7.300 50 HG SER 6 HG SER 6 -2.396 -14.438 -9.861 51 H TYR 7 H TYR 7 -6.534 -15.155 -7.812 52 HA TYR 7 HA TYR 7 -6.607 -15.686 -10.689 53 HB2 TYR 7 HB2 TYR 7 -8.603 -16.341 -8.512 54 HB3 TYR 7 HB3 TYR 7 -8.933 -16.566 -10.220 55 HD1 TYR 7 HD1 TYR 7 -7.721 -18.281 -11.495 56 HD2 TYR 7 HD2 TYR 7 -7.210 -17.866 -7.299 57 HE1 TYR 7 HE1 TYR 7 -6.747 -20.533 -11.404 58 HE2 TYR 7 HE2 TYR 7 -6.225 -20.124 -7.201 59 HH TYR 7 HH TYR 7 -6.370 -22.193 -8.546 60 H ARG 8 H ARG 8 -8.750 -14.135 -8.301 61 HA ARG 8 HA ARG 8 -9.512 -12.256 -10.360 62 HB2 ARG 8 HB2 ARG 8 -11.325 -13.414 -9.217 63 HB3 ARG 8 HB3 ARG 8 -10.698 -12.890 -7.661 64 HG2 ARG 8 HG2 ARG 8 -11.084 -10.613 -8.239 65 HG3 ARG 8 HG3 ARG 8 -11.704 -11.089 -9.823 66 HD2 ARG 8 HD2 ARG 8 -13.558 -10.615 -8.294 67 HD3 ARG 8 HD3 ARG 8 -13.525 -12.325 -8.715 68 HE ARG 8 HE ARG 8 -12.112 -12.253 -6.429 69 HH11 ARG 8 HH11 ARG 8 -15.278 -10.899 -7.279 70 HH12 ARG 8 HH12 ARG 8 -15.952 -11.118 -5.743 71 HH21 ARG 8 HH21 ARG 8 -13.020 -12.552 -4.293 72 HH22 ARG 8 HH22 ARG 8 -14.631 -12.086 -3.989 73 H CYS 9 H CYS 9 -7.918 -12.547 -7.288 74 HA CYS 9 HA CYS 9 -7.522 -9.652 -7.299 75 HB2 CYS 9 HB2 CYS 9 -7.657 -11.523 -4.944 76 HB3 CYS 9 HB3 CYS 9 -7.333 -9.796 -4.858 77 HA PRO 10 HA PRO 10 -3.132 -10.497 -7.704 78 HB2 PRO 10 HB2 PRO 10 -2.891 -7.798 -6.407 79 HB3 PRO 10 HB3 PRO 10 -2.231 -8.388 -7.937 80 HG2 PRO 10 HG2 PRO 10 -4.281 -6.738 -7.887 81 HG3 PRO 10 HG3 PRO 10 -4.226 -8.076 -9.044 82 HD2 PRO 10 HD2 PRO 10 -5.721 -7.887 -6.455 83 HD3 PRO 10 HD3 PRO 10 -6.271 -8.463 -8.054 84 H CYS 11 H CYS 11 -4.466 -9.315 -4.591 85 HA CYS 11 HA CYS 11 -2.488 -11.028 -3.292 86 HB2 CYS 11 HB2 CYS 11 -1.668 -8.667 -3.182 87 HB3 CYS 11 HB3 CYS 11 -3.144 -8.223 -2.334 88 H ARG 12 H ARG 12 -3.089 -11.638 -1.077 89 HA ARG 12 HA ARG 12 -6.011 -11.597 -0.636 90 HB2 ARG 12 HB2 ARG 12 -4.135 -13.928 -0.272 91 HB3 ARG 12 HB3 ARG 12 -5.811 -13.911 0.239 92 HG2 ARG 12 HG2 ARG 12 -4.947 -13.519 -2.613 93 HG3 ARG 12 HG3 ARG 12 -5.320 -15.096 -1.927 94 HD2 ARG 12 HD2 ARG 12 -7.203 -14.199 -3.176 95 HD3 ARG 12 HD3 ARG 12 -7.610 -14.341 -1.469 96 HE ARG 12 HE ARG 12 -6.693 -11.722 -2.214 97 HH11 ARG 12 HH11 ARG 12 -9.485 -13.863 -2.240 98 HH12 ARG 12 HH12 ARG 12 -10.643 -12.632 -2.227 99 HH21 ARG 12 HH21 ARG 12 -8.279 -9.976 -2.159 100 HH22 ARG 12 HH22 ARG 12 -9.939 -10.351 -2.177 101 H PHE 13 H PHE 13 -2.944 -10.930 0.756 102 HA PHE 13 HA PHE 13 -4.218 -10.476 3.289 103 HB2 PHE 13 HB2 PHE 13 -2.420 -11.639 4.577 104 HB3 PHE 13 HB3 PHE 13 -3.423 -12.739 3.644 105 HD1 PHE 13 HD1 PHE 13 -2.502 -13.847 1.641 106 HD2 PHE 13 HD2 PHE 13 -0.079 -11.398 4.140 107 HE1 PHE 13 HE1 PHE 13 -0.485 -14.824 0.638 108 HE2 PHE 13 HE2 PHE 13 1.942 -12.368 3.137 109 HZ PHE 13 HZ PHE 13 1.741 -14.086 1.380 110 H PHE 14 H PHE 14 -3.531 -8.649 4.208 111 HA PHE 14 HA PHE 14 -1.152 -7.291 3.025 112 HB2 PHE 14 HB2 PHE 14 -3.419 -6.082 4.524 113 HB3 PHE 14 HB3 PHE 14 -2.215 -5.237 3.576 114 HD1 PHE 14 HD1 PHE 14 -2.332 -6.384 0.965 115 HD2 PHE 14 HD2 PHE 14 -5.499 -5.793 3.728 116 HE1 PHE 14 HE1 PHE 14 -3.933 -6.287 -0.894 117 HE2 PHE 14 HE2 PHE 14 -7.106 -5.707 1.889 118 HZ PHE 14 HZ PHE 14 -6.339 -5.953 -0.426 119 H GLU 15 H GLU 15 0.306 -6.314 4.428 120 HA GLU 15 HA GLU 15 0.176 -7.300 7.094 121 HB2 GLU 15 HB2 GLU 15 2.303 -5.879 5.596 122 HB3 GLU 15 HB3 GLU 15 2.339 -5.904 7.345 123 HG2 GLU 15 HG2 GLU 15 2.200 -8.316 7.237 124 HG3 GLU 15 HG3 GLU 15 2.471 -8.221 5.472 125 H SER 16 H SER 16 0.002 -6.150 8.927 126 HA SER 16 HA SER 16 -0.518 -3.298 8.674 127 HB2 SER 16 HB2 SER 16 -1.858 -3.621 10.802 128 HB3 SER 16 HB3 SER 16 -2.517 -4.436 9.380 129 HG SER 16 HG SER 16 -2.277 -6.234 10.325 130 H HIS 17 H HIS 17 1.894 -5.249 9.328 131 HA HIS 17 HA HIS 17 2.850 -3.931 11.806 132 HB2 HIS 17 HB2 HIS 17 3.765 -6.493 10.459 133 HB3 HIS 17 HB3 HIS 17 4.554 -5.774 11.850 134 HD1 HIS 17 HD1 HIS 17 3.646 -6.398 14.103 135 HD2 HIS 17 HD2 HIS 17 1.110 -7.503 11.008 136 HE1 HIS 17 HE1 HIS 17 1.897 -7.862 15.150 137 HE2 HIS 17 HE2 HIS 17 0.529 -8.693 13.222 138 H VAL 18 H VAL 18 2.858 -2.971 8.958 139 HA VAL 18 HA VAL 18 5.583 -3.212 8.174 140 HB VAL 18 HB VAL 18 3.453 -1.542 6.870 141 HG11 VAL 18 HG11 VAL 18 4.885 -1.740 4.858 142 HG12 VAL 18 HG12 VAL 18 6.071 -2.632 5.806 143 HG13 VAL 18 HG13 VAL 18 5.730 -0.942 6.187 144 HG21 VAL 18 HG21 VAL 18 2.754 -3.886 6.993 145 HG22 VAL 18 HG22 VAL 18 4.269 -4.405 6.294 146 HG23 VAL 18 HG23 VAL 18 3.141 -3.462 5.339 147 H ALA 19 H ALA 19 7.115 -1.629 8.150 148 HA ALA 19 HA ALA 19 6.522 0.828 9.640 149 HB1 ALA 19 HB1 ALA 19 8.929 0.850 10.186 150 HB2 ALA 19 HB2 ALA 19 9.138 -0.634 9.253 151 HB3 ALA 19 HB3 ALA 19 8.156 -0.645 10.715 152 H ARG 20 H ARG 20 6.974 2.767 8.731 153 HA ARG 20 HA ARG 20 7.173 3.026 5.931 154 HB2 ARG 20 HB2 ARG 20 6.052 4.685 7.287 155 HB3 ARG 20 HB3 ARG 20 7.529 5.053 8.148 156 HG2 ARG 20 HG2 ARG 20 6.926 6.810 6.544 157 HG3 ARG 20 HG3 ARG 20 8.465 6.060 6.123 158 HD2 ARG 20 HD2 ARG 20 7.436 4.776 4.393 159 HD3 ARG 20 HD3 ARG 20 5.827 5.277 4.908 160 HE ARG 20 HE ARG 20 7.014 7.611 4.329 161 HH11 ARG 20 HH11 ARG 20 6.761 4.606 2.474 162 HH12 ARG 20 HH12 ARG 20 6.685 5.409 0.963 163 HH21 ARG 20 HH21 ARG 20 6.883 8.671 2.291 164 HH22 ARG 20 HH22 ARG 20 6.756 7.772 0.846 165 H ALA 21 H ALA 21 9.596 2.937 8.404 166 HA ALA 21 HA ALA 21 11.707 3.931 6.721 167 HB1 ALA 21 HB1 ALA 21 11.744 4.313 9.138 168 HB2 ALA 21 HB2 ALA 21 13.160 3.410 8.604 169 HB3 ALA 21 HB3 ALA 21 11.834 2.573 9.411 170 H ASN 22 H ASN 22 10.085 1.019 6.939 171 HA ASN 22 HA ASN 22 12.445 -0.545 6.153 172 HB2 ASN 22 HB2 ASN 22 11.240 -1.376 8.149 173 HB3 ASN 22 HB3 ASN 22 9.768 -1.501 7.202 174 HD21 ASN 22 HD21 ASN 22 9.576 -3.669 7.702 175 HD22 ASN 22 HD22 ASN 22 10.572 -4.886 7.018 176 H VAL 23 H VAL 23 9.988 1.092 4.749 177 HA VAL 23 HA VAL 23 9.618 -0.912 2.667 178 HB VAL 23 HB VAL 23 7.525 0.117 3.402 179 HG11 VAL 23 HG11 VAL 23 7.029 2.484 3.057 180 HG12 VAL 23 HG12 VAL 23 8.691 2.751 2.529 181 HG13 VAL 23 HG13 VAL 23 8.364 2.261 4.190 182 HG21 VAL 23 HG21 VAL 23 8.258 1.126 0.670 183 HG22 VAL 23 HG22 VAL 23 6.625 0.828 1.263 184 HG23 VAL 23 HG23 VAL 23 7.769 -0.516 1.044 185 H LYS 24 H LYS 24 10.712 -0.907 0.852 186 HA LYS 24 HA LYS 24 12.576 1.284 0.228 187 HB2 LYS 24 HB2 LYS 24 13.373 -0.108 -1.589 188 HB3 LYS 24 HB3 LYS 24 13.345 -1.037 -0.104 189 HG2 LYS 24 HG2 LYS 24 11.617 -2.387 -0.782 190 HG3 LYS 24 HG3 LYS 24 10.967 -1.186 -1.889 191 HD2 LYS 24 HD2 LYS 24 13.474 -2.850 -2.350 192 HD3 LYS 24 HD3 LYS 24 11.885 -3.061 -3.095 193 HE2 LYS 24 HE2 LYS 24 12.011 -0.810 -4.008 194 HE3 LYS 24 HE3 LYS 24 13.612 -0.625 -3.407 195 HZ1 LYS 24 HZ1 LYS 24 13.629 -1.316 -5.715 196 HZ2 LYS 24 HZ2 LYS 24 12.808 -2.730 -5.321 197 HZ3 LYS 24 HZ3 LYS 24 14.377 -2.482 -4.736 198 H HIS 25 H HIS 25 9.627 -0.031 -0.903 199 HA HIS 25 HA HIS 25 9.205 2.103 -2.757 200 HB2 HIS 25 HB2 HIS 25 10.633 0.685 -4.100 201 HB3 HIS 25 HB3 HIS 25 9.721 -0.720 -3.636 202 HD1 HIS 25 HD1 HIS 25 8.396 2.550 -5.205 203 HD2 HIS 25 HD2 HIS 25 8.619 -1.535 -5.790 204 HE1 HIS 25 HE1 HIS 25 6.995 2.118 -7.217 205 HE2 HIS 25 HE2 HIS 25 7.579 -0.257 -7.781 206 H LEU 26 H LEU 26 7.145 2.476 -2.678 207 HA LEU 26 HA LEU 26 5.384 0.367 -1.708 208 HB2 LEU 26 HB2 LEU 26 5.733 2.447 -0.347 209 HB3 LEU 26 HB3 LEU 26 5.070 3.370 -1.672 210 HG LEU 26 HG LEU 26 2.884 2.365 -1.327 211 HD11 LEU 26 HD11 LEU 26 4.309 0.811 0.825 212 HD12 LEU 26 HD12 LEU 26 3.628 0.146 -0.660 213 HD13 LEU 26 HD13 LEU 26 2.563 0.844 0.562 214 HD21 LEU 26 HD21 LEU 26 4.156 3.227 1.255 215 HD22 LEU 26 HD22 LEU 26 2.433 3.220 0.894 216 HD23 LEU 26 HD23 LEU 26 3.509 4.304 0.016 217 H LYS 27 H LYS 27 3.836 -0.317 -3.125 218 HA LYS 27 HA LYS 27 3.320 1.244 -5.575 219 HB2 LYS 27 HB2 LYS 27 5.011 -0.679 -5.829 220 HB3 LYS 27 HB3 LYS 27 3.689 -1.729 -5.405 221 HG2 LYS 27 HG2 LYS 27 2.416 -0.823 -7.384 222 HG3 LYS 27 HG3 LYS 27 3.916 0.034 -7.786 223 HD2 LYS 27 HD2 LYS 27 3.722 -2.030 -9.082 224 HD3 LYS 27 HD3 LYS 27 5.110 -2.063 -7.996 225 HE2 LYS 27 HE2 LYS 27 3.887 -3.467 -6.431 226 HE3 LYS 27 HE3 LYS 27 2.432 -3.355 -7.423 227 HZ1 LYS 27 HZ1 LYS 27 3.586 -5.442 -7.789 228 HZ2 LYS 27 HZ2 LYS 27 4.998 -4.649 -8.209 229 HZ3 LYS 27 HZ3 LYS 27 3.633 -4.526 -9.183 230 H ILE 28 H ILE 28 1.130 1.650 -5.294 231 HA ILE 28 HA ILE 28 -0.406 -0.490 -4.029 232 HB ILE 28 HB ILE 28 -1.354 2.342 -4.532 233 HG12 ILE 28 HG12 ILE 28 -0.257 1.069 -2.039 234 HG13 ILE 28 HG13 ILE 28 0.566 2.309 -2.980 235 HG21 ILE 28 HG21 ILE 28 -3.154 0.665 -4.264 236 HG22 ILE 28 HG22 ILE 28 -3.084 1.732 -2.856 237 HG23 ILE 28 HG23 ILE 28 -2.396 0.113 -2.770 238 HD11 ILE 28 HD11 ILE 28 -0.395 3.262 -0.984 239 HD12 ILE 28 HD12 ILE 28 -1.962 2.586 -1.367 240 HD13 ILE 28 HD13 ILE 28 -1.287 3.869 -2.387 241 H LEU 29 H LEU 29 -1.898 -1.638 -5.051 242 HA LEU 29 HA LEU 29 -2.479 -1.065 -7.871 243 HB2 LEU 29 HB2 LEU 29 -1.032 -3.032 -7.481 244 HB3 LEU 29 HB3 LEU 29 -2.234 -3.672 -6.381 245 HG LEU 29 HG LEU 29 -3.746 -4.148 -8.176 246 HD11 LEU 29 HD11 LEU 29 -3.254 -2.168 -9.598 247 HD12 LEU 29 HD12 LEU 29 -3.152 -3.665 -10.527 248 HD13 LEU 29 HD13 LEU 29 -1.680 -2.856 -9.995 249 HD21 LEU 29 HD21 LEU 29 -0.937 -4.969 -8.879 250 HD22 LEU 29 HD22 LEU 29 -2.412 -5.744 -9.455 251 HD23 LEU 29 HD23 LEU 29 -2.009 -5.776 -7.738 252 H ASN 30 H ASN 30 -4.581 -0.447 -8.104 253 HA ASN 30 HA ASN 30 -6.486 -1.279 -6.053 254 HB2 ASN 30 HB2 ASN 30 -8.034 0.420 -6.942 255 HB3 ASN 30 HB3 ASN 30 -6.478 1.137 -6.562 256 HD21 ASN 30 HD21 ASN 30 -5.211 1.915 -8.247 257 HD22 ASN 30 HD22 ASN 30 -5.832 2.165 -9.837 258 H THR 31 H THR 31 -7.877 -2.876 -6.351 259 HA THR 31 HA THR 31 -8.653 -3.456 -9.105 260 HB THR 31 HB THR 31 -8.438 -5.485 -6.879 261 HG1 THR 31 HG1 THR 31 -6.662 -4.739 -8.978 262 HG21 THR 31 HG21 THR 31 -8.677 -7.120 -8.708 263 HG22 THR 31 HG22 THR 31 -8.825 -5.782 -9.851 264 HG23 THR 31 HG23 THR 31 -10.063 -6.024 -8.624 265 HA PRO 32 HA PRO 32 -12.518 -2.151 -7.250 266 HB2 PRO 32 HB2 PRO 32 -14.032 -2.289 -9.454 267 HB3 PRO 32 HB3 PRO 32 -12.753 -1.079 -9.279 268 HG2 PRO 32 HG2 PRO 32 -12.675 -3.703 -10.730 269 HG3 PRO 32 HG3 PRO 32 -12.143 -2.105 -11.291 270 HD2 PRO 32 HD2 PRO 32 -10.411 -3.965 -10.256 271 HD3 PRO 32 HD3 PRO 32 -10.152 -2.218 -10.079 272 H ASN 33 H ASN 33 -11.766 -5.077 -7.250 273 HA ASN 33 HA ASN 33 -14.463 -6.127 -6.805 274 HB2 ASN 33 HB2 ASN 33 -12.415 -7.542 -8.545 275 HB3 ASN 33 HB3 ASN 33 -13.837 -8.323 -7.877 276 HD21 ASN 33 HD21 ASN 33 -12.607 -6.174 -10.313 277 HD22 ASN 33 HD22 ASN 33 -14.079 -6.058 -11.195 278 H CYS 34 H CYS 34 -11.662 -5.371 -5.603 279 HA CYS 34 HA CYS 34 -11.536 -7.673 -3.868 280 HB2 CYS 34 HB2 CYS 34 -9.159 -6.374 -5.174 281 HB3 CYS 34 HB3 CYS 34 -9.142 -7.710 -4.035 282 H ALA 35 H ALA 35 -9.741 -4.686 -4.479 283 HA ALA 35 HA ALA 35 -10.668 -2.978 -2.581 284 HB1 ALA 35 HB1 ALA 35 -8.503 -4.739 -1.467 285 HB2 ALA 35 HB2 ALA 35 -10.181 -4.687 -0.920 286 HB3 ALA 35 HB3 ALA 35 -9.132 -3.271 -0.684 287 H LEU 36 H LEU 36 -8.694 -1.491 -1.748 288 HA LEU 36 HA LEU 36 -6.969 -0.956 -3.881 289 HB2 LEU 36 HB2 LEU 36 -8.141 0.751 -2.579 290 HB3 LEU 36 HB3 LEU 36 -7.470 0.100 -1.101 291 HG LEU 36 HG LEU 36 -5.331 0.566 -1.938 292 HD11 LEU 36 HD11 LEU 36 -6.839 2.162 -4.053 293 HD12 LEU 36 HD12 LEU 36 -5.730 0.821 -4.339 294 HD13 LEU 36 HD13 LEU 36 -5.114 2.362 -3.759 295 HD21 LEU 36 HD21 LEU 36 -5.400 3.019 -1.396 296 HD22 LEU 36 HD22 LEU 36 -6.289 1.968 -0.290 297 HD23 LEU 36 HD23 LEU 36 -7.162 2.913 -1.500 298 H GLN 37 H GLN 37 -5.294 -2.429 -3.963 299 HA GLN 37 HA GLN 37 -4.412 -3.714 -1.492 300 HB2 GLN 37 HB2 GLN 37 -4.054 -4.429 -4.390 301 HB3 GLN 37 HB3 GLN 37 -3.523 -5.404 -3.022 302 HG2 GLN 37 HG2 GLN 37 -5.679 -5.842 -2.341 303 HG3 GLN 37 HG3 GLN 37 -6.382 -4.584 -3.363 304 HE21 GLN 37 HE21 GLN 37 -6.502 -4.938 -5.499 305 HE22 GLN 37 HE22 GLN 37 -6.518 -6.478 -6.232 306 H ILE 38 H ILE 38 -2.503 -3.184 -0.724 307 HA ILE 38 HA ILE 38 -0.814 -1.482 -2.371 308 HB ILE 38 HB ILE 38 -0.808 -2.049 0.569 309 HG12 ILE 38 HG12 ILE 38 -1.781 0.418 -0.872 310 HG13 ILE 38 HG13 ILE 38 -2.814 -0.830 -0.188 311 HG21 ILE 38 HG21 ILE 38 1.382 -1.420 -0.102 312 HG22 ILE 38 HG22 ILE 38 0.664 -0.018 0.665 313 HG23 ILE 38 HG23 ILE 38 0.811 -0.110 -1.102 314 HD11 ILE 38 HD11 ILE 38 -1.997 -0.309 2.028 315 HD12 ILE 38 HD12 ILE 38 -2.626 1.148 1.207 316 HD13 ILE 38 HD13 ILE 38 -0.889 0.882 1.327 317 H VAL 39 H VAL 39 1.223 -2.179 -2.935 318 HA VAL 39 HA VAL 39 2.217 -4.706 -1.790 319 HB VAL 39 HB VAL 39 2.576 -3.642 -4.612 320 HG11 VAL 39 HG11 VAL 39 4.557 -4.778 -3.922 321 HG12 VAL 39 HG12 VAL 39 3.700 -5.776 -5.090 322 HG13 VAL 39 HG13 VAL 39 3.633 -6.181 -3.369 323 HG21 VAL 39 HG21 VAL 39 1.293 -5.616 -5.336 324 HG22 VAL 39 HG22 VAL 39 0.344 -4.553 -4.295 325 HG23 VAL 39 HG23 VAL 39 1.026 -6.046 -3.645 326 H ALA 40 H ALA 40 4.182 -4.510 -0.863 327 HA ALA 40 HA ALA 40 5.918 -2.299 -1.687 328 HB1 ALA 40 HB1 ALA 40 6.279 -1.629 0.605 329 HB2 ALA 40 HB2 ALA 40 5.094 -2.815 1.140 330 HB3 ALA 40 HB3 ALA 40 4.580 -1.457 0.150 331 H ARG 41 H ARG 41 8.146 -2.868 -1.579 332 HA ARG 41 HA ARG 41 8.590 -5.373 -0.321 333 HB2 ARG 41 HB2 ARG 41 9.280 -4.729 -2.768 334 HB3 ARG 41 HB3 ARG 41 10.575 -3.882 -1.934 335 HG2 ARG 41 HG2 ARG 41 11.307 -5.868 -0.844 336 HG3 ARG 41 HG3 ARG 41 9.760 -6.546 -1.448 337 HD2 ARG 41 HD2 ARG 41 10.521 -6.510 -3.678 338 HD3 ARG 41 HD3 ARG 41 12.072 -5.721 -3.164 339 HE ARG 41 HE ARG 41 12.030 -8.039 -1.814 340 HH11 ARG 41 HH11 ARG 41 11.758 -7.341 -5.279 341 HH12 ARG 41 HH12 ARG 41 12.402 -8.836 -5.763 342 HH21 ARG 41 HH21 ARG 41 12.906 -10.030 -2.466 343 HH22 ARG 41 HH22 ARG 41 13.112 -10.426 -4.105 344 H LEU 42 H LEU 42 10.126 -5.596 1.179 345 HA LEU 42 HA LEU 42 10.514 -3.240 2.837 346 HB2 LEU 42 HB2 LEU 42 11.335 -6.042 3.422 347 HB3 LEU 42 HB3 LEU 42 11.082 -4.747 4.536 348 HG LEU 42 HG LEU 42 8.814 -5.955 2.950 349 HD11 LEU 42 HD11 LEU 42 9.610 -6.423 5.805 350 HD12 LEU 42 HD12 LEU 42 9.629 -7.605 4.503 351 HD13 LEU 42 HD13 LEU 42 8.096 -6.949 5.059 352 HD21 LEU 42 HD21 LEU 42 8.827 -4.001 5.251 353 HD22 LEU 42 HD22 LEU 42 7.392 -4.699 4.504 354 HD23 LEU 42 HD23 LEU 42 8.434 -3.625 3.573 355 H LYS 43 H LYS 43 12.451 -2.563 3.514 356 HA LYS 43 HA LYS 43 14.661 -2.798 1.668 357 HB2 LYS 43 HB2 LYS 43 14.443 -1.315 4.281 358 HB3 LYS 43 HB3 LYS 43 15.731 -1.126 3.100 359 HG2 LYS 43 HG2 LYS 43 14.176 -0.233 1.499 360 HG3 LYS 43 HG3 LYS 43 12.824 -0.532 2.590 361 HD2 LYS 43 HD2 LYS 43 13.446 1.813 2.632 362 HD3 LYS 43 HD3 LYS 43 13.824 1.072 4.188 363 HE2 LYS 43 HE2 LYS 43 16.151 0.900 3.565 364 HE3 LYS 43 HE3 LYS 43 15.792 1.517 1.960 365 HZ1 LYS 43 HZ1 LYS 43 15.096 3.598 2.947 366 HZ2 LYS 43 HZ2 LYS 43 16.684 3.244 3.394 367 HZ3 LYS 43 HZ3 LYS 43 15.434 3.021 4.501 368 H ASN 44 H ASN 44 14.137 -3.478 5.097 369 HA ASN 44 HA ASN 44 16.802 -4.520 5.414 370 HB2 ASN 44 HB2 ASN 44 15.704 -3.322 7.254 371 HB3 ASN 44 HB3 ASN 44 14.453 -4.557 7.322 372 HD21 ASN 44 HD21 ASN 44 17.741 -3.777 8.027 373 HD22 ASN 44 HD22 ASN 44 18.082 -5.126 9.037 374 H ASN 45 H ASN 45 13.632 -5.773 4.968 375 HA ASN 45 HA ASN 45 14.425 -8.512 5.632 376 HB2 ASN 45 HB2 ASN 45 12.173 -7.406 6.223 377 HB3 ASN 45 HB3 ASN 45 11.768 -7.639 4.532 378 HD21 ASN 45 HD21 ASN 45 10.340 -8.730 6.667 379 HD22 ASN 45 HD22 ASN 45 10.478 -10.435 6.619 380 H ASN 46 H ASN 46 13.695 -6.535 2.751 381 HA ASN 46 HA ASN 46 13.870 -6.854 0.508 382 HB2 ASN 46 HB2 ASN 46 16.120 -7.880 1.065 383 HB3 ASN 46 HB3 ASN 46 15.341 -9.443 1.209 384 HD21 ASN 46 HD21 ASN 46 14.749 -10.534 -0.707 385 HD22 ASN 46 HD22 ASN 46 15.343 -10.050 -2.250 386 H ARG 47 H ARG 47 11.860 -8.288 2.350 387 HA ARG 47 HA ARG 47 10.752 -10.142 0.439 388 HB2 ARG 47 HB2 ARG 47 10.014 -9.293 3.170 389 HB3 ARG 47 HB3 ARG 47 8.871 -10.223 2.272 390 HG2 ARG 47 HG2 ARG 47 10.820 -11.913 2.050 391 HG3 ARG 47 HG3 ARG 47 11.537 -10.979 3.372 392 HD2 ARG 47 HD2 ARG 47 10.260 -12.706 4.400 393 HD3 ARG 47 HD3 ARG 47 9.402 -11.191 4.579 394 HE ARG 47 HE ARG 47 8.687 -12.938 2.347 395 HH11 ARG 47 HH11 ARG 47 7.719 -11.336 5.369 396 HH12 ARG 47 HH12 ARG 47 6.064 -11.640 5.183 397 HH21 ARG 47 HH21 ARG 47 6.386 -13.388 2.093 398 HH22 ARG 47 HH22 ARG 47 5.297 -12.880 3.289 399 H GLN 48 H GLN 48 8.886 -9.809 -0.666 400 HA GLN 48 HA GLN 48 7.926 -7.058 -0.673 401 HB2 GLN 48 HB2 GLN 48 8.897 -8.086 -2.786 402 HB3 GLN 48 HB3 GLN 48 7.548 -9.214 -2.751 403 HG2 GLN 48 HG2 GLN 48 5.999 -7.339 -2.886 404 HG3 GLN 48 HG3 GLN 48 7.390 -6.268 -2.884 405 HE21 GLN 48 HE21 GLN 48 5.653 -8.647 -4.736 406 HE22 GLN 48 HE22 GLN 48 6.340 -8.242 -6.261 407 H VAL 49 H VAL 49 6.038 -6.726 0.257 408 HA VAL 49 HA VAL 49 4.212 -8.999 0.587 409 HB VAL 49 HB VAL 49 3.699 -8.207 2.899 410 HG11 VAL 49 HG11 VAL 49 5.760 -8.997 3.968 411 HG12 VAL 49 HG12 VAL 49 6.608 -8.843 2.431 412 HG13 VAL 49 HG13 VAL 49 5.306 -10.018 2.599 413 HG21 VAL 49 HG21 VAL 49 4.365 -5.861 2.644 414 HG22 VAL 49 HG22 VAL 49 6.053 -6.347 2.474 415 HG23 VAL 49 HG23 VAL 49 5.207 -6.606 3.999 416 H CYS 50 H CYS 50 2.079 -8.054 1.536 417 HA CYS 50 HA CYS 50 1.417 -5.751 -0.128 418 HB2 CYS 50 HB2 CYS 50 -0.596 -7.589 1.227 419 HB3 CYS 50 HB3 CYS 50 -0.786 -6.421 -0.057 420 H ILE 51 H ILE 51 0.117 -4.088 0.842 421 HA ILE 51 HA ILE 51 0.396 -3.985 3.755 422 HB ILE 51 HB ILE 51 0.719 -1.641 1.867 423 HG12 ILE 51 HG12 ILE 51 2.613 -3.222 3.531 424 HG13 ILE 51 HG13 ILE 51 2.635 -3.020 1.802 425 HG21 ILE 51 HG21 ILE 51 -0.357 -0.932 3.959 426 HG22 ILE 51 HG22 ILE 51 1.297 -0.337 3.868 427 HG23 ILE 51 HG23 ILE 51 0.919 -1.735 4.869 428 HD11 ILE 51 HD11 ILE 51 3.168 -0.653 2.020 429 HD12 ILE 51 HD12 ILE 51 4.386 -1.651 2.811 430 HD13 ILE 51 HD13 ILE 51 3.170 -0.806 3.773 431 H ASP 52 H ASP 52 -1.181 -3.161 4.929 432 HA ASP 52 HA ASP 52 -3.801 -3.185 3.768 433 HB2 ASP 52 HB2 ASP 52 -3.191 -4.228 5.825 434 HB3 ASP 52 HB3 ASP 52 -2.838 -2.673 6.562 435 HA PRO 53 HA PRO 53 -3.701 1.176 3.076 436 HB2 PRO 53 HB2 PRO 53 -6.318 1.567 2.477 437 HB3 PRO 53 HB3 PRO 53 -5.133 0.870 1.365 438 HG2 PRO 53 HG2 PRO 53 -7.186 -0.487 3.042 439 HG3 PRO 53 HG3 PRO 53 -6.652 -0.836 1.385 440 HD2 PRO 53 HD2 PRO 53 -5.816 -2.258 3.571 441 HD3 PRO 53 HD3 PRO 53 -4.846 -2.069 2.096 442 H LYS 54 H LYS 54 -5.314 -0.109 5.849 443 HA LYS 54 HA LYS 54 -6.084 2.608 6.460 444 HB2 LYS 54 HB2 LYS 54 -7.397 1.797 8.368 445 HB3 LYS 54 HB3 LYS 54 -7.940 1.223 6.806 446 HG2 LYS 54 HG2 LYS 54 -6.753 -0.916 7.309 447 HG3 LYS 54 HG3 LYS 54 -6.477 -0.275 8.933 448 HD2 LYS 54 HD2 LYS 54 -9.080 -0.368 7.623 449 HD3 LYS 54 HD3 LYS 54 -8.535 -1.738 8.639 450 HE2 LYS 54 HE2 LYS 54 -8.346 -0.055 10.517 451 HE3 LYS 54 HE3 LYS 54 -9.033 1.151 9.430 452 HZ1 LYS 54 HZ1 LYS 54 -10.709 0.178 10.905 453 HZ2 LYS 54 HZ2 LYS 54 -10.402 -1.345 10.262 454 HZ3 LYS 54 HZ3 LYS 54 -11.037 -0.144 9.284 455 H LEU 55 H LEU 55 -3.387 1.056 6.773 456 HA LEU 55 HA LEU 55 -2.527 1.518 9.400 457 HB2 LEU 55 HB2 LEU 55 -1.159 1.461 6.758 458 HB3 LEU 55 HB3 LEU 55 -0.223 1.862 8.156 459 HG LEU 55 HG LEU 55 -1.703 -0.767 7.704 460 HD11 LEU 55 HD11 LEU 55 1.241 -0.124 7.641 461 HD12 LEU 55 HD12 LEU 55 0.218 -0.422 6.234 462 HD13 LEU 55 HD13 LEU 55 0.494 -1.709 7.407 463 HD21 LEU 55 HD21 LEU 55 -1.516 -0.250 10.095 464 HD22 LEU 55 HD22 LEU 55 0.203 0.101 9.866 465 HD23 LEU 55 HD23 LEU 55 -0.368 -1.521 9.631 466 H LYS 56 H LYS 56 -1.655 3.257 10.377 467 HA LYS 56 HA LYS 56 -2.747 5.770 9.648 468 HB2 LYS 56 HB2 LYS 56 -2.313 5.118 12.004 469 HB3 LYS 56 HB3 LYS 56 -0.592 5.252 11.705 470 HG2 LYS 56 HG2 LYS 56 -0.852 7.641 11.232 471 HG3 LYS 56 HG3 LYS 56 -2.579 7.513 11.517 472 HD2 LYS 56 HD2 LYS 56 -1.736 8.367 13.530 473 HD3 LYS 56 HD3 LYS 56 -1.958 6.651 13.841 474 HE2 LYS 56 HE2 LYS 56 0.670 8.045 13.220 475 HE3 LYS 56 HE3 LYS 56 0.152 7.464 14.788 476 HZ1 LYS 56 HZ1 LYS 56 0.852 5.810 12.419 477 HZ2 LYS 56 HZ2 LYS 56 0.219 5.173 13.867 478 HZ3 LYS 56 HZ3 LYS 56 1.691 5.962 13.862 479 H TRP 57 H TRP 57 0.552 4.474 9.420 480 HA TRP 57 HA TRP 57 1.566 6.922 8.420 481 HB2 TRP 57 HB2 TRP 57 3.650 5.773 7.931 482 HB3 TRP 57 HB3 TRP 57 3.058 5.226 9.484 483 HD1 TRP 57 HD1 TRP 57 2.406 2.566 9.661 484 HE1 TRP 57 HE1 TRP 57 2.953 0.614 8.166 485 HE3 TRP 57 HE3 TRP 57 3.911 5.132 5.525 486 HZ2 TRP 57 HZ2 TRP 57 3.900 0.165 5.543 487 HZ3 TRP 57 HZ3 TRP 57 4.638 3.868 3.561 488 HH2 TRP 57 HH2 TRP 57 4.622 1.431 3.555 489 H ILE 58 H ILE 58 -0.118 4.345 7.018 490 HA ILE 58 HA ILE 58 0.524 4.984 4.299 491 HB ILE 58 HB ILE 58 -1.583 3.195 5.539 492 HG12 ILE 58 HG12 ILE 58 0.735 2.365 5.556 493 HG13 ILE 58 HG13 ILE 58 -0.292 1.377 4.537 494 HG21 ILE 58 HG21 ILE 58 -2.163 2.432 3.333 495 HG22 ILE 58 HG22 ILE 58 -1.066 3.642 2.638 496 HG23 ILE 58 HG23 ILE 58 -2.514 4.170 3.522 497 HD11 ILE 58 HD11 ILE 58 1.830 1.726 3.476 498 HD12 ILE 58 HD12 ILE 58 1.641 3.471 3.568 499 HD13 ILE 58 HD13 ILE 58 0.557 2.518 2.550 500 H GLN 59 H GLN 59 -1.969 5.807 6.587 501 HA GLN 59 HA GLN 59 -3.608 7.146 4.745 502 HB2 GLN 59 HB2 GLN 59 -3.403 7.367 7.735 503 HB3 GLN 59 HB3 GLN 59 -4.562 8.301 6.797 504 HG2 GLN 59 HG2 GLN 59 -4.379 5.297 6.839 505 HG3 GLN 59 HG3 GLN 59 -5.563 6.269 7.722 506 HE21 GLN 59 HE21 GLN 59 -4.565 5.146 4.578 507 HE22 GLN 59 HE22 GLN 59 -5.999 5.607 3.743 508 H GLU 60 H GLU 60 -1.002 8.358 6.845 509 HA GLU 60 HA GLU 60 -1.287 11.004 5.861 510 HB2 GLU 60 HB2 GLU 60 0.927 11.449 6.810 511 HB3 GLU 60 HB3 GLU 60 -0.065 10.569 7.961 512 HG2 GLU 60 HG2 GLU 60 1.096 8.536 7.452 513 HG3 GLU 60 HG3 GLU 60 2.036 9.335 6.201 514 H TYR 61 H TYR 61 0.486 8.180 4.793 515 HA TYR 61 HA TYR 61 2.062 9.245 2.767 516 HB2 TYR 61 HB2 TYR 61 2.247 6.833 3.362 517 HB3 TYR 61 HB3 TYR 61 0.607 6.595 2.893 518 HD1 TYR 61 HD1 TYR 61 3.777 7.825 1.313 519 HD2 TYR 61 HD2 TYR 61 0.128 5.711 0.910 520 HE1 TYR 61 HE1 TYR 61 4.367 7.259 -1.009 521 HE2 TYR 61 HE2 TYR 61 0.637 5.141 -1.361 522 HH TYR 61 HH TYR 61 3.788 5.524 -2.677 523 H LEU 62 H LEU 62 -1.227 8.066 2.619 524 HA LEU 62 HA LEU 62 -1.516 8.764 -0.095 525 HB2 LEU 62 HB2 LEU 62 -3.376 7.716 1.946 526 HB3 LEU 62 HB3 LEU 62 -3.903 8.132 0.311 527 HG LEU 62 HG LEU 62 -1.508 6.432 0.694 528 HD11 LEU 62 HD11 LEU 62 -2.816 4.533 0.412 529 HD12 LEU 62 HD12 LEU 62 -4.334 5.500 0.603 530 HD13 LEU 62 HD13 LEU 62 -3.112 5.374 1.929 531 HD21 LEU 62 HD21 LEU 62 -1.896 7.343 -1.496 532 HD22 LEU 62 HD22 LEU 62 -3.536 6.692 -1.480 533 HD23 LEU 62 HD23 LEU 62 -2.158 5.599 -1.495 534 H GLU 63 H GLU 63 -2.607 10.287 2.858 535 HA GLU 63 HA GLU 63 -3.940 12.350 1.467 536 HB2 GLU 63 HB2 GLU 63 -2.609 12.435 4.183 537 HB3 GLU 63 HB3 GLU 63 -3.623 13.737 3.591 538 HG2 GLU 63 HG2 GLU 63 -5.472 12.042 3.371 539 HG3 GLU 63 HG3 GLU 63 -4.423 10.901 4.199 540 H LYS 64 H LYS 64 -0.602 11.895 2.298 541 HA LYS 64 HA LYS 64 0.545 14.322 1.446 542 HB2 LYS 64 HB2 LYS 64 1.750 12.609 2.688 543 HB3 LYS 64 HB3 LYS 64 1.563 11.495 1.357 544 HG2 LYS 64 HG2 LYS 64 3.676 12.183 1.089 545 HG3 LYS 64 HG3 LYS 64 2.798 13.160 -0.035 546 HD2 LYS 64 HD2 LYS 64 4.350 14.636 1.097 547 HD3 LYS 64 HD3 LYS 64 2.700 15.050 1.573 548 HE2 LYS 64 HE2 LYS 64 3.011 13.745 3.662 549 HE3 LYS 64 HE3 LYS 64 4.659 13.386 3.165 550 HZ1 LYS 64 HZ1 LYS 64 4.595 15.204 4.726 551 HZ2 LYS 64 HZ2 LYS 64 3.538 16.059 3.739 552 HZ3 LYS 64 HZ3 LYS 64 5.113 15.785 3.223 553 H ALA 65 H ALA 65 0.578 11.228 -0.183 554 HA ALA 65 HA ALA 65 1.313 11.987 -2.740 555 HB1 ALA 65 HB1 ALA 65 0.503 9.861 -3.517 556 HB2 ALA 65 HB2 ALA 65 -0.515 9.704 -2.095 557 HB3 ALA 65 HB3 ALA 65 1.247 9.655 -1.923 558 H LEU 66 H LEU 66 -1.912 12.102 -1.362 559 HA LEU 66 HA LEU 66 -3.062 12.643 -3.910 560 HB2 LEU 66 HB2 LEU 66 -4.205 12.733 -1.140 561 HB3 LEU 66 HB3 LEU 66 -5.174 13.179 -2.547 562 HG LEU 66 HG LEU 66 -3.964 10.482 -1.916 563 HD11 LEU 66 HD11 LEU 66 -6.829 11.408 -1.970 564 HD12 LEU 66 HD12 LEU 66 -5.880 11.010 -0.535 565 HD13 LEU 66 HD13 LEU 66 -6.286 9.751 -1.698 566 HD21 LEU 66 HD21 LEU 66 -5.658 11.327 -4.273 567 HD22 LEU 66 HD22 LEU 66 -5.209 9.673 -3.875 568 HD23 LEU 66 HD23 LEU 66 -3.963 10.831 -4.334 569 H ASN 67 H ASN 67 -1.901 14.532 -1.192 570 HA ASN 67 HA ASN 67 -2.831 17.058 -2.157 571 HB2 ASN 67 HB2 ASN 67 -2.266 16.774 0.198 572 HB3 ASN 67 HB3 ASN 67 -0.618 16.330 -0.217 573 HD21 ASN 67 HD21 ASN 67 0.857 17.945 -0.748 574 HD22 ASN 67 HD22 ASN 67 0.517 19.621 -0.505 575 H LYS 68 H LYS 68 -0.132 15.049 -2.692 576 HA LYS 68 HA LYS 68 1.793 16.658 -3.811 577 HB2 LYS 68 HB2 LYS 68 2.064 14.285 -3.295 578 HB3 LYS 68 HB3 LYS 68 1.011 13.875 -4.636 579 HG2 LYS 68 HG2 LYS 68 2.616 14.851 -6.195 580 HG3 LYS 68 HG3 LYS 68 3.670 15.263 -4.844 581 HD2 LYS 68 HD2 LYS 68 3.826 12.946 -4.244 582 HD3 LYS 68 HD3 LYS 68 2.781 12.498 -5.600 583 HE2 LYS 68 HE2 LYS 68 4.437 13.469 -7.155 584 HE3 LYS 68 HE3 LYS 68 5.481 13.840 -5.785 585 HZ1 LYS 68 HZ1 LYS 68 4.646 11.146 -6.675 586 HZ2 LYS 68 HZ2 LYS 68 5.613 11.444 -5.322 587 HZ3 LYS 68 HZ3 LYS 68 6.165 11.815 -6.879 Start of MODEL 11 1 H LYS 1 H LYS 1 -5.554 -23.874 4.630 2 HA LYS 1 HA LYS 1 -3.216 -23.705 4.097 3 HB2 LYS 1 HB2 LYS 1 -4.752 -25.461 2.148 4 HB3 LYS 1 HB3 LYS 1 -3.062 -25.647 2.551 5 HG2 LYS 1 HG2 LYS 1 -3.655 -26.194 4.860 6 HG3 LYS 1 HG3 LYS 1 -5.357 -25.956 4.487 7 HD2 LYS 1 HD2 LYS 1 -4.909 -28.320 4.448 8 HD3 LYS 1 HD3 LYS 1 -5.186 -27.777 2.799 9 HE2 LYS 1 HE2 LYS 1 -3.320 -29.313 2.835 10 HE3 LYS 1 HE3 LYS 1 -2.728 -27.707 2.442 11 HZ1 LYS 1 HZ1 LYS 1 -2.566 -29.037 5.096 12 HZ2 LYS 1 HZ2 LYS 1 -2.001 -27.489 4.779 13 HZ3 LYS 1 HZ3 LYS 1 -1.292 -28.812 4.044 14 HA PRO 2 HA PRO 2 -2.588 -20.988 0.554 15 HB2 PRO 2 HB2 PRO 2 0.274 -21.369 0.844 16 HB3 PRO 2 HB3 PRO 2 -0.685 -19.937 1.218 17 HG2 PRO 2 HG2 PRO 2 0.524 -21.456 3.130 18 HG3 PRO 2 HG3 PRO 2 -0.966 -20.548 3.418 19 HD2 PRO 2 HD2 PRO 2 -0.605 -23.459 2.826 20 HD3 PRO 2 HD3 PRO 2 -1.663 -22.655 4.014 21 H VAL 3 H VAL 3 -2.510 -24.096 0.399 22 HA VAL 3 HA VAL 3 -0.681 -24.570 -1.787 23 HB VAL 3 HB VAL 3 -2.781 -26.416 -0.602 24 HG11 VAL 3 HG11 VAL 3 -2.153 -27.071 -2.868 25 HG12 VAL 3 HG12 VAL 3 -1.518 -28.223 -1.697 26 HG13 VAL 3 HG13 VAL 3 -0.447 -27.026 -2.423 27 HG21 VAL 3 HG21 VAL 3 0.184 -26.258 -0.049 28 HG22 VAL 3 HG22 VAL 3 -0.910 -27.491 0.583 29 HG23 VAL 3 HG23 VAL 3 -1.106 -25.809 1.067 30 H SER 4 H SER 4 -1.206 -23.806 -3.673 31 HA SER 4 HA SER 4 -2.260 -23.284 -5.558 32 HB2 SER 4 HB2 SER 4 -4.087 -25.578 -4.812 33 HB3 SER 4 HB3 SER 4 -3.954 -24.858 -6.413 34 HG SER 4 HG SER 4 -1.583 -25.374 -6.061 35 H LEU 5 H LEU 5 -2.867 -21.226 -4.691 36 HA LEU 5 HA LEU 5 -5.726 -21.033 -4.107 37 HB2 LEU 5 HB2 LEU 5 -3.527 -19.050 -3.527 38 HB3 LEU 5 HB3 LEU 5 -5.223 -18.791 -3.206 39 HG LEU 5 HG LEU 5 -3.439 -20.821 -1.860 40 HD11 LEU 5 HD11 LEU 5 -4.755 -18.308 -0.848 41 HD12 LEU 5 HD12 LEU 5 -3.031 -18.550 -1.131 42 HD13 LEU 5 HD13 LEU 5 -3.852 -19.451 0.144 43 HD21 LEU 5 HD21 LEU 5 -5.694 -21.712 -2.099 44 HD22 LEU 5 HD22 LEU 5 -6.367 -20.226 -1.430 45 HD23 LEU 5 HD23 LEU 5 -5.378 -21.283 -0.421 46 H SER 6 H SER 6 -6.917 -20.430 -5.699 47 HA SER 6 HA SER 6 -5.712 -19.030 -7.929 48 HB2 SER 6 HB2 SER 6 -8.489 -20.197 -7.609 49 HB3 SER 6 HB3 SER 6 -7.783 -19.587 -9.108 50 HG SER 6 HG SER 6 -6.034 -21.194 -8.358 51 H TYR 7 H TYR 7 -5.413 -17.030 -7.093 52 HA TYR 7 HA TYR 7 -7.659 -15.730 -5.885 53 HB2 TYR 7 HB2 TYR 7 -6.029 -13.887 -5.351 54 HB3 TYR 7 HB3 TYR 7 -5.720 -15.443 -4.602 55 HD1 TYR 7 HD1 TYR 7 -4.581 -13.064 -7.166 56 HD2 TYR 7 HD2 TYR 7 -3.739 -16.677 -5.109 57 HE1 TYR 7 HE1 TYR 7 -2.302 -13.006 -8.022 58 HE2 TYR 7 HE2 TYR 7 -1.467 -16.645 -5.946 59 HH TYR 7 HH TYR 7 -0.101 -13.896 -7.408 60 H ARG 8 H ARG 8 -8.889 -14.247 -6.765 61 HA ARG 8 HA ARG 8 -8.275 -13.356 -9.471 62 HB2 ARG 8 HB2 ARG 8 -10.518 -12.417 -9.519 63 HB3 ARG 8 HB3 ARG 8 -10.616 -14.043 -8.868 64 HG2 ARG 8 HG2 ARG 8 -10.820 -13.156 -6.620 65 HG3 ARG 8 HG3 ARG 8 -10.591 -11.523 -7.240 66 HD2 ARG 8 HD2 ARG 8 -12.658 -11.732 -8.558 67 HD3 ARG 8 HD3 ARG 8 -12.896 -13.359 -7.923 68 HE ARG 8 HE ARG 8 -12.659 -11.771 -5.722 69 HH11 ARG 8 HH11 ARG 8 -14.877 -11.774 -8.507 70 HH12 ARG 8 HH12 ARG 8 -16.178 -11.153 -7.612 71 HH21 ARG 8 HH21 ARG 8 -14.436 -10.933 -4.553 72 HH22 ARG 8 HH22 ARG 8 -15.948 -10.665 -5.298 73 H CYS 9 H CYS 9 -7.855 -12.411 -6.270 74 HA CYS 9 HA CYS 9 -7.460 -9.617 -7.018 75 HB2 CYS 9 HB2 CYS 9 -7.896 -10.862 -4.295 76 HB3 CYS 9 HB3 CYS 9 -7.742 -9.142 -4.632 77 HA PRO 10 HA PRO 10 -3.050 -10.312 -6.737 78 HB2 PRO 10 HB2 PRO 10 -3.148 -7.534 -5.556 79 HB3 PRO 10 HB3 PRO 10 -2.118 -8.199 -6.835 80 HG2 PRO 10 HG2 PRO 10 -4.182 -6.676 -7.415 81 HG3 PRO 10 HG3 PRO 10 -3.784 -8.090 -8.406 82 HD2 PRO 10 HD2 PRO 10 -5.985 -7.744 -6.407 83 HD3 PRO 10 HD3 PRO 10 -5.973 -8.651 -7.929 84 H CYS 11 H CYS 11 -4.681 -8.914 -3.866 85 HA CYS 11 HA CYS 11 -2.892 -10.545 -2.221 86 HB2 CYS 11 HB2 CYS 11 -3.525 -7.637 -1.790 87 HB3 CYS 11 HB3 CYS 11 -2.824 -8.675 -0.559 88 H ARG 12 H ARG 12 -3.931 -11.783 -0.863 89 HA ARG 12 HA ARG 12 -6.648 -11.081 -0.023 90 HB2 ARG 12 HB2 ARG 12 -5.079 -13.641 0.313 91 HB3 ARG 12 HB3 ARG 12 -6.700 -13.382 0.921 92 HG2 ARG 12 HG2 ARG 12 -7.504 -13.085 -1.380 93 HG3 ARG 12 HG3 ARG 12 -5.864 -13.386 -1.970 94 HD2 ARG 12 HD2 ARG 12 -5.877 -15.592 -0.986 95 HD3 ARG 12 HD3 ARG 12 -7.467 -15.297 -0.289 96 HE ARG 12 HE ARG 12 -7.645 -14.905 -3.019 97 HH11 ARG 12 HH11 ARG 12 -7.010 -17.546 -0.757 98 HH12 ARG 12 HH12 ARG 12 -7.709 -18.761 -1.696 99 HH21 ARG 12 HH21 ARG 12 -8.625 -16.599 -4.391 100 HH22 ARG 12 HH22 ARG 12 -8.634 -18.201 -3.849 101 H PHE 13 H PHE 13 -3.416 -11.672 1.157 102 HA PHE 13 HA PHE 13 -4.270 -10.897 3.841 103 HB2 PHE 13 HB2 PHE 13 -2.157 -11.917 4.636 104 HB3 PHE 13 HB3 PHE 13 -3.154 -13.084 3.789 105 HD1 PHE 13 HD1 PHE 13 -2.478 -13.901 1.563 106 HD2 PHE 13 HD2 PHE 13 -0.003 -11.250 3.797 107 HE1 PHE 13 HE1 PHE 13 -0.569 -14.467 0.118 108 HE2 PHE 13 HE2 PHE 13 1.905 -11.815 2.358 109 HZ PHE 13 HZ PHE 13 1.628 -13.422 0.518 110 H PHE 14 H PHE 14 -3.136 -9.265 4.898 111 HA PHE 14 HA PHE 14 -1.232 -7.669 3.299 112 HB2 PHE 14 HB2 PHE 14 -3.476 -6.616 4.958 113 HB3 PHE 14 HB3 PHE 14 -2.304 -5.632 4.098 114 HD1 PHE 14 HD1 PHE 14 -2.397 -5.703 1.562 115 HD2 PHE 14 HD2 PHE 14 -5.453 -7.279 4.039 116 HE1 PHE 14 HE1 PHE 14 -3.970 -5.574 -0.311 117 HE2 PHE 14 HE2 PHE 14 -7.033 -7.166 2.207 118 HZ PHE 14 HZ PHE 14 -6.313 -6.315 -0.005 119 H GLU 15 H GLU 15 0.268 -6.605 4.517 120 HA GLU 15 HA GLU 15 0.462 -7.495 7.241 121 HB2 GLU 15 HB2 GLU 15 2.392 -6.067 5.450 122 HB3 GLU 15 HB3 GLU 15 2.657 -6.250 7.176 123 HG2 GLU 15 HG2 GLU 15 2.369 -8.381 5.140 124 HG3 GLU 15 HG3 GLU 15 3.843 -7.916 5.982 125 H SER 16 H SER 16 -0.177 -6.387 8.778 126 HA SER 16 HA SER 16 -0.507 -3.499 8.465 127 HB2 SER 16 HB2 SER 16 -2.497 -4.928 9.133 128 HB3 SER 16 HB3 SER 16 -1.626 -5.347 10.603 129 HG SER 16 HG SER 16 -1.706 -3.227 11.247 130 H HIS 17 H HIS 17 1.883 -5.318 9.007 131 HA HIS 17 HA HIS 17 2.707 -4.379 11.655 132 HB2 HIS 17 HB2 HIS 17 3.857 -6.602 9.976 133 HB3 HIS 17 HB3 HIS 17 4.419 -6.127 11.572 134 HD1 HIS 17 HD1 HIS 17 2.098 -8.302 9.869 135 HD2 HIS 17 HD2 HIS 17 2.397 -6.566 13.628 136 HE1 HIS 17 HE1 HIS 17 0.461 -9.504 11.299 137 HE2 HIS 17 HE2 HIS 17 0.502 -8.299 13.499 138 H VAL 18 H VAL 18 2.931 -3.284 8.657 139 HA VAL 18 HA VAL 18 5.740 -3.338 8.205 140 HB VAL 18 HB VAL 18 3.662 -1.785 6.683 141 HG11 VAL 18 HG11 VAL 18 5.279 -1.894 4.799 142 HG12 VAL 18 HG12 VAL 18 6.428 -2.707 5.859 143 HG13 VAL 18 HG13 VAL 18 5.949 -1.047 6.196 144 HG21 VAL 18 HG21 VAL 18 3.031 -4.131 6.658 145 HG22 VAL 18 HG22 VAL 18 4.667 -4.605 6.219 146 HG23 VAL 18 HG23 VAL 18 3.689 -3.710 5.083 147 H ALA 19 H ALA 19 7.160 -1.620 8.169 148 HA ALA 19 HA ALA 19 6.364 0.808 9.623 149 HB1 ALA 19 HB1 ALA 19 8.749 0.944 10.258 150 HB2 ALA 19 HB2 ALA 19 9.055 -0.544 9.362 151 HB3 ALA 19 HB3 ALA 19 8.017 -0.573 10.785 152 H ARG 20 H ARG 20 6.738 2.776 8.637 153 HA ARG 20 HA ARG 20 7.141 2.887 5.850 154 HB2 ARG 20 HB2 ARG 20 5.814 4.594 6.930 155 HB3 ARG 20 HB3 ARG 20 7.170 5.110 7.906 156 HG2 ARG 20 HG2 ARG 20 6.693 6.704 6.102 157 HG3 ARG 20 HG3 ARG 20 8.294 5.996 5.915 158 HD2 ARG 20 HD2 ARG 20 7.420 4.478 4.184 159 HD3 ARG 20 HD3 ARG 20 5.808 5.137 4.405 160 HE ARG 20 HE ARG 20 7.110 7.338 3.805 161 HH11 ARG 20 HH11 ARG 20 7.417 4.172 2.230 162 HH12 ARG 20 HH12 ARG 20 7.775 4.825 0.696 163 HH21 ARG 20 HH21 ARG 20 7.562 8.209 1.705 164 HH22 ARG 20 HH22 ARG 20 7.829 7.189 0.369 165 H ALA 21 H ALA 21 9.383 3.172 8.495 166 HA ALA 21 HA ALA 21 11.492 4.235 6.860 167 HB1 ALA 21 HB1 ALA 21 11.378 4.724 9.259 168 HB2 ALA 21 HB2 ALA 21 12.898 3.939 8.830 169 HB3 ALA 21 HB3 ALA 21 11.623 3.013 9.617 170 H ASN 22 H ASN 22 10.145 1.173 7.247 171 HA ASN 22 HA ASN 22 12.669 -0.176 6.582 172 HB2 ASN 22 HB2 ASN 22 11.404 -1.054 8.521 173 HB3 ASN 22 HB3 ASN 22 10.035 -1.375 7.466 174 HD21 ASN 22 HD21 ASN 22 10.041 -3.534 7.921 175 HD22 ASN 22 HD22 ASN 22 11.232 -4.634 7.363 176 H VAL 23 H VAL 23 9.751 0.889 5.188 177 HA VAL 23 HA VAL 23 9.811 -1.076 3.080 178 HB VAL 23 HB VAL 23 7.619 -0.224 3.814 179 HG11 VAL 23 HG11 VAL 23 6.876 2.039 3.320 180 HG12 VAL 23 HG12 VAL 23 8.489 2.440 2.722 181 HG13 VAL 23 HG13 VAL 23 8.254 2.036 4.422 182 HG21 VAL 23 HG21 VAL 23 6.643 0.265 1.630 183 HG22 VAL 23 HG22 VAL 23 7.846 -1.028 1.541 184 HG23 VAL 23 HG23 VAL 23 8.257 0.592 0.991 185 H LYS 24 H LYS 24 10.812 -0.930 1.187 186 HA LYS 24 HA LYS 24 12.535 1.388 0.633 187 HB2 LYS 24 HB2 LYS 24 13.410 0.091 -1.203 188 HB3 LYS 24 HB3 LYS 24 13.449 -0.865 0.267 189 HG2 LYS 24 HG2 LYS 24 11.738 -2.274 -0.432 190 HG3 LYS 24 HG3 LYS 24 11.140 -1.118 -1.611 191 HD2 LYS 24 HD2 LYS 24 13.710 -2.698 -1.821 192 HD3 LYS 24 HD3 LYS 24 12.183 -3.007 -2.675 193 HE2 LYS 24 HE2 LYS 24 12.305 -0.769 -3.644 194 HE3 LYS 24 HE3 LYS 24 13.839 -0.500 -2.957 195 HZ1 LYS 24 HZ1 LYS 24 14.212 -1.215 -5.156 196 HZ2 LYS 24 HZ2 LYS 24 13.234 -2.576 -4.995 197 HZ3 LYS 24 HZ3 LYS 24 14.719 -2.475 -4.167 198 H HIS 25 H HIS 25 9.669 -0.081 -0.538 199 HA HIS 25 HA HIS 25 9.217 2.054 -2.414 200 HB2 HIS 25 HB2 HIS 25 10.739 0.680 -3.640 201 HB3 HIS 25 HB3 HIS 25 9.869 -0.775 -3.203 202 HD1 HIS 25 HD1 HIS 25 8.759 2.451 -4.959 203 HD2 HIS 25 HD2 HIS 25 8.827 -1.642 -5.318 204 HE1 HIS 25 HE1 HIS 25 7.477 1.996 -7.067 205 HE2 HIS 25 HE2 HIS 25 7.729 -0.479 -7.421 206 H LEU 26 H LEU 26 7.161 2.447 -2.261 207 HA LEU 26 HA LEU 26 5.307 0.374 -1.337 208 HB2 LEU 26 HB2 LEU 26 5.837 2.409 0.095 209 HB3 LEU 26 HB3 LEU 26 5.167 3.399 -1.166 210 HG LEU 26 HG LEU 26 3.673 3.134 0.773 211 HD11 LEU 26 HD11 LEU 26 1.645 2.541 -0.376 212 HD12 LEU 26 HD12 LEU 26 2.587 1.851 -1.714 213 HD13 LEU 26 HD13 LEU 26 2.678 3.580 -1.357 214 HD21 LEU 26 HD21 LEU 26 3.541 0.266 -0.036 215 HD22 LEU 26 HD22 LEU 26 2.627 1.038 1.265 216 HD23 LEU 26 HD23 LEU 26 4.390 0.888 1.370 217 H LYS 27 H LYS 27 3.704 -0.164 -2.843 218 HA LYS 27 HA LYS 27 3.099 1.728 -4.994 219 HB2 LYS 27 HB2 LYS 27 4.908 -0.204 -5.522 220 HB3 LYS 27 HB3 LYS 27 3.506 -1.171 -5.508 221 HG2 LYS 27 HG2 LYS 27 3.661 1.206 -7.335 222 HG3 LYS 27 HG3 LYS 27 4.259 -0.390 -7.772 223 HD2 LYS 27 HD2 LYS 27 1.420 0.160 -6.892 224 HD3 LYS 27 HD3 LYS 27 1.938 0.125 -8.579 225 HE2 LYS 27 HE2 LYS 27 2.281 -2.145 -6.634 226 HE3 LYS 27 HE3 LYS 27 0.940 -2.029 -7.786 227 HZ1 LYS 27 HZ1 LYS 27 2.711 -3.434 -8.641 228 HZ2 LYS 27 HZ2 LYS 27 3.833 -2.185 -8.463 229 HZ3 LYS 27 HZ3 LYS 27 2.578 -2.046 -9.575 230 H ILE 28 H ILE 28 0.923 1.926 -4.808 231 HA ILE 28 HA ILE 28 -0.525 -0.352 -3.713 232 HB ILE 28 HB ILE 28 -1.666 2.419 -4.180 233 HG12 ILE 28 HG12 ILE 28 -0.536 1.169 -1.691 234 HG13 ILE 28 HG13 ILE 28 0.151 2.533 -2.558 235 HG21 ILE 28 HG21 ILE 28 -3.332 0.565 -4.028 236 HG22 ILE 28 HG22 ILE 28 -3.438 1.647 -2.627 237 HG23 ILE 28 HG23 ILE 28 -2.613 0.098 -2.482 238 HD11 ILE 28 HD11 ILE 28 -0.975 3.257 -0.538 239 HD12 ILE 28 HD12 ILE 28 -2.467 2.492 -1.063 240 HD13 ILE 28 HD13 ILE 28 -1.831 3.877 -1.953 241 H LEU 29 H LEU 29 -1.993 -1.475 -4.759 242 HA LEU 29 HA LEU 29 -2.250 -1.032 -7.638 243 HB2 LEU 29 HB2 LEU 29 -0.877 -2.970 -6.956 244 HB3 LEU 29 HB3 LEU 29 -2.204 -3.531 -5.967 245 HG LEU 29 HG LEU 29 -3.507 -4.112 -7.877 246 HD11 LEU 29 HD11 LEU 29 -2.851 -2.242 -9.361 247 HD12 LEU 29 HD12 LEU 29 -2.647 -3.797 -10.164 248 HD13 LEU 29 HD13 LEU 29 -1.240 -2.945 -9.524 249 HD21 LEU 29 HD21 LEU 29 -0.648 -4.995 -8.211 250 HD22 LEU 29 HD22 LEU 29 -2.062 -5.800 -8.890 251 HD23 LEU 29 HD23 LEU 29 -1.849 -5.717 -7.141 252 H ASN 30 H ASN 30 -4.300 -0.207 -7.948 253 HA ASN 30 HA ASN 30 -6.434 -1.217 -6.270 254 HB2 ASN 30 HB2 ASN 30 -7.920 0.430 -7.344 255 HB3 ASN 30 HB3 ASN 30 -6.469 1.207 -6.735 256 HD21 ASN 30 HD21 ASN 30 -5.006 2.054 -8.205 257 HD22 ASN 30 HD22 ASN 30 -5.405 2.307 -9.857 258 H THR 31 H THR 31 -7.694 -2.819 -6.808 259 HA THR 31 HA THR 31 -7.785 -3.596 -9.621 260 HB THR 31 HB THR 31 -7.796 -5.386 -7.206 261 HG1 THR 31 HG1 THR 31 -5.800 -4.489 -8.931 262 HG21 THR 31 HG21 THR 31 -7.575 -7.236 -8.807 263 HG22 THR 31 HG22 THR 31 -7.684 -6.085 -10.141 264 HG23 THR 31 HG23 THR 31 -9.066 -6.336 -9.073 265 HA PRO 32 HA PRO 32 -12.182 -2.892 -9.153 266 HB2 PRO 32 HB2 PRO 32 -12.384 -5.110 -11.122 267 HB3 PRO 32 HB3 PRO 32 -13.077 -3.485 -11.189 268 HG2 PRO 32 HG2 PRO 32 -10.978 -4.143 -12.671 269 HG3 PRO 32 HG3 PRO 32 -11.114 -2.535 -11.942 270 HD2 PRO 32 HD2 PRO 32 -9.464 -4.882 -11.034 271 HD3 PRO 32 HD3 PRO 32 -9.054 -3.130 -11.044 272 H ASN 33 H ASN 33 -13.287 -3.613 -7.675 273 HA ASN 33 HA ASN 33 -14.619 -4.886 -6.290 274 HB2 ASN 33 HB2 ASN 33 -13.765 -7.280 -7.951 275 HB3 ASN 33 HB3 ASN 33 -14.989 -7.315 -6.688 276 HD21 ASN 33 HD21 ASN 33 -15.202 -7.928 -9.533 277 HD22 ASN 33 HD22 ASN 33 -16.415 -6.878 -10.147 278 H CYS 34 H CYS 34 -11.335 -5.309 -6.596 279 HA CYS 34 HA CYS 34 -11.209 -6.915 -4.147 280 HB2 CYS 34 HB2 CYS 34 -9.071 -6.292 -6.157 281 HB3 CYS 34 HB3 CYS 34 -8.888 -7.346 -4.759 282 H ALA 35 H ALA 35 -11.232 -3.781 -5.113 283 HA ALA 35 HA ALA 35 -10.804 -1.822 -4.116 284 HB1 ALA 35 HB1 ALA 35 -9.841 -3.469 -1.793 285 HB2 ALA 35 HB2 ALA 35 -11.504 -2.909 -2.018 286 HB3 ALA 35 HB3 ALA 35 -10.203 -1.743 -1.732 287 H LEU 36 H LEU 36 -8.797 -0.718 -2.757 288 HA LEU 36 HA LEU 36 -6.600 -1.351 -4.422 289 HB2 LEU 36 HB2 LEU 36 -5.490 0.683 -3.486 290 HB3 LEU 36 HB3 LEU 36 -6.953 0.947 -4.387 291 HG LEU 36 HG LEU 36 -8.122 1.185 -2.142 292 HD11 LEU 36 HD11 LEU 36 -5.293 1.435 -1.158 293 HD12 LEU 36 HD12 LEU 36 -6.444 0.175 -0.718 294 HD13 LEU 36 HD13 LEU 36 -6.747 1.851 -0.246 295 HD21 LEU 36 HD21 LEU 36 -6.009 3.112 -2.982 296 HD22 LEU 36 HD22 LEU 36 -7.401 3.512 -1.947 297 HD23 LEU 36 HD23 LEU 36 -7.642 2.970 -3.618 298 H GLN 37 H GLN 37 -4.975 -2.412 -4.046 299 HA GLN 37 HA GLN 37 -4.560 -3.503 -1.362 300 HB2 GLN 37 HB2 GLN 37 -4.080 -4.579 -4.134 301 HB3 GLN 37 HB3 GLN 37 -3.629 -5.413 -2.646 302 HG2 GLN 37 HG2 GLN 37 -5.754 -5.851 -2.069 303 HG3 GLN 37 HG3 GLN 37 -6.436 -4.502 -2.989 304 HE21 GLN 37 HE21 GLN 37 -6.736 -4.733 -5.115 305 HE22 GLN 37 HE22 GLN 37 -6.784 -6.251 -5.928 306 H ILE 38 H ILE 38 -2.552 -3.205 -0.563 307 HA ILE 38 HA ILE 38 -0.890 -1.437 -2.156 308 HB ILE 38 HB ILE 38 -0.839 -2.135 0.736 309 HG12 ILE 38 HG12 ILE 38 -1.940 0.359 -0.570 310 HG13 ILE 38 HG13 ILE 38 -2.898 -0.972 0.067 311 HG21 ILE 38 HG21 ILE 38 1.338 -1.365 0.020 312 HG22 ILE 38 HG22 ILE 38 0.594 -0.035 0.913 313 HG23 ILE 38 HG23 ILE 38 0.646 -0.009 -0.844 314 HD11 ILE 38 HD11 ILE 38 -2.101 -0.501 2.298 315 HD12 ILE 38 HD12 ILE 38 -2.806 0.944 1.544 316 HD13 ILE 38 HD13 ILE 38 -1.055 0.780 1.646 317 H VAL 39 H VAL 39 1.095 -2.082 -2.827 318 HA VAL 39 HA VAL 39 2.133 -4.680 -1.907 319 HB VAL 39 HB VAL 39 2.471 -3.296 -4.579 320 HG11 VAL 39 HG11 VAL 39 4.441 -4.510 -4.041 321 HG12 VAL 39 HG12 VAL 39 3.582 -5.355 -5.327 322 HG13 VAL 39 HG13 VAL 39 3.520 -5.970 -3.668 323 HG21 VAL 39 HG21 VAL 39 1.157 -5.148 -5.533 324 HG22 VAL 39 HG22 VAL 39 0.230 -4.212 -4.355 325 HG23 VAL 39 HG23 VAL 39 0.896 -5.784 -3.909 326 H ALA 40 H ALA 40 4.038 -4.514 -0.902 327 HA ALA 40 HA ALA 40 5.796 -2.340 -1.693 328 HB1 ALA 40 HB1 ALA 40 6.172 -1.600 0.528 329 HB2 ALA 40 HB2 ALA 40 5.066 -2.822 1.152 330 HB3 ALA 40 HB3 ALA 40 4.449 -1.502 0.158 331 H ARG 41 H ARG 41 7.914 -2.654 -1.303 332 HA ARG 41 HA ARG 41 8.595 -5.174 -0.123 333 HB2 ARG 41 HB2 ARG 41 9.570 -3.833 -2.489 334 HB3 ARG 41 HB3 ARG 41 10.853 -4.515 -1.506 335 HG2 ARG 41 HG2 ARG 41 9.755 -6.613 -1.486 336 HG3 ARG 41 HG3 ARG 41 8.397 -6.026 -2.389 337 HD2 ARG 41 HD2 ARG 41 11.250 -6.286 -3.230 338 HD3 ARG 41 HD3 ARG 41 9.837 -7.272 -3.726 339 HE ARG 41 HE ARG 41 9.137 -4.843 -4.552 340 HH11 ARG 41 HH11 ARG 41 12.134 -6.671 -5.033 341 HH12 ARG 41 HH12 ARG 41 12.478 -5.963 -6.535 342 HH21 ARG 41 HH21 ARG 41 9.636 -3.901 -6.655 343 HH22 ARG 41 HH22 ARG 41 11.054 -4.392 -7.464 344 H LEU 42 H LEU 42 10.199 -5.324 1.182 345 HA LEU 42 HA LEU 42 10.638 -2.966 2.860 346 HB2 LEU 42 HB2 LEU 42 11.738 -5.737 3.317 347 HB3 LEU 42 HB3 LEU 42 11.559 -4.454 4.457 348 HG LEU 42 HG LEU 42 9.171 -5.764 3.166 349 HD11 LEU 42 HD11 LEU 42 10.374 -6.229 5.871 350 HD12 LEU 42 HD12 LEU 42 10.246 -7.403 4.549 351 HD13 LEU 42 HD13 LEU 42 8.800 -6.809 5.349 352 HD21 LEU 42 HD21 LEU 42 9.407 -3.847 5.485 353 HD22 LEU 42 HD22 LEU 42 7.916 -4.612 4.931 354 HD23 LEU 42 HD23 LEU 42 8.759 -3.476 3.885 355 H LYS 43 H LYS 43 12.759 -2.294 3.545 356 HA LYS 43 HA LYS 43 14.653 -2.195 1.406 357 HB2 LYS 43 HB2 LYS 43 14.895 -1.229 4.262 358 HB3 LYS 43 HB3 LYS 43 15.992 -0.839 2.946 359 HG2 LYS 43 HG2 LYS 43 14.200 0.341 1.792 360 HG3 LYS 43 HG3 LYS 43 13.081 -0.077 3.089 361 HD2 LYS 43 HD2 LYS 43 13.868 2.210 3.338 362 HD3 LYS 43 HD3 LYS 43 14.470 1.218 4.664 363 HE2 LYS 43 HE2 LYS 43 16.630 1.022 3.558 364 HE3 LYS 43 HE3 LYS 43 16.008 1.931 2.179 365 HZ1 LYS 43 HZ1 LYS 43 15.735 3.852 3.663 366 HZ2 LYS 43 HZ2 LYS 43 17.336 3.322 3.652 367 HZ3 LYS 43 HZ3 LYS 43 16.353 2.948 4.948 368 H ASN 44 H ASN 44 14.853 -3.345 4.745 369 HA ASN 44 HA ASN 44 17.426 -4.543 4.228 370 HB2 ASN 44 HB2 ASN 44 17.006 -3.468 6.379 371 HB3 ASN 44 HB3 ASN 44 15.706 -4.603 6.710 372 HD21 ASN 44 HD21 ASN 44 19.145 -4.148 6.546 373 HD22 ASN 44 HD22 ASN 44 19.564 -5.638 7.308 374 H ASN 45 H ASN 45 14.180 -5.661 4.726 375 HA ASN 45 HA ASN 45 15.063 -8.438 4.686 376 HB2 ASN 45 HB2 ASN 45 13.335 -7.663 6.315 377 HB3 ASN 45 HB3 ASN 45 12.270 -7.293 4.978 378 HD21 ASN 45 HD21 ASN 45 10.714 -8.692 5.919 379 HD22 ASN 45 HD22 ASN 45 10.852 -10.397 5.820 380 H ASN 46 H ASN 46 13.830 -6.082 2.554 381 HA ASN 46 HA ASN 46 13.252 -5.983 0.365 382 HB2 ASN 46 HB2 ASN 46 15.681 -6.710 0.320 383 HB3 ASN 46 HB3 ASN 46 15.118 -8.357 0.064 384 HD21 ASN 46 HD21 ASN 46 16.125 -8.500 -1.969 385 HD22 ASN 46 HD22 ASN 46 15.555 -7.641 -3.345 386 H ARG 47 H ARG 47 11.553 -7.844 2.016 387 HA ARG 47 HA ARG 47 10.660 -9.729 0.004 388 HB2 ARG 47 HB2 ARG 47 9.770 -9.195 2.806 389 HB3 ARG 47 HB3 ARG 47 9.021 -10.379 1.766 390 HG2 ARG 47 HG2 ARG 47 11.274 -11.490 1.633 391 HG3 ARG 47 HG3 ARG 47 11.792 -10.385 2.912 392 HD2 ARG 47 HD2 ARG 47 11.089 -12.405 3.960 393 HD3 ARG 47 HD3 ARG 47 9.891 -11.172 4.276 394 HE ARG 47 HE ARG 47 9.135 -12.553 1.954 395 HH11 ARG 47 HH11 ARG 47 9.250 -13.052 5.459 396 HH12 ARG 47 HH12 ARG 47 8.015 -14.213 5.483 397 HH21 ARG 47 HH21 ARG 47 7.435 -14.159 1.995 398 HH22 ARG 47 HH22 ARG 47 6.947 -14.844 3.477 399 H GLN 48 H GLN 48 8.640 -9.798 -0.814 400 HA GLN 48 HA GLN 48 7.441 -7.167 -1.064 401 HB2 GLN 48 HB2 GLN 48 8.113 -8.649 -3.046 402 HB3 GLN 48 HB3 GLN 48 6.777 -9.685 -2.568 403 HG2 GLN 48 HG2 GLN 48 5.324 -7.629 -2.720 404 HG3 GLN 48 HG3 GLN 48 6.709 -6.864 -3.463 405 HE21 GLN 48 HE21 GLN 48 5.627 -6.550 -5.413 406 HE22 GLN 48 HE22 GLN 48 5.347 -7.838 -6.513 407 H VAL 49 H VAL 49 5.745 -6.780 0.172 408 HA VAL 49 HA VAL 49 4.007 -9.011 0.901 409 HB VAL 49 HB VAL 49 3.634 -7.986 3.123 410 HG11 VAL 49 HG11 VAL 49 5.761 -8.603 4.165 411 HG12 VAL 49 HG12 VAL 49 6.531 -8.605 2.581 412 HG13 VAL 49 HG13 VAL 49 5.266 -9.778 2.947 413 HG21 VAL 49 HG21 VAL 49 4.195 -5.665 2.595 414 HG22 VAL 49 HG22 VAL 49 5.886 -6.110 2.364 415 HG23 VAL 49 HG23 VAL 49 5.150 -6.233 3.964 416 H CYS 50 H CYS 50 1.875 -8.165 1.663 417 HA CYS 50 HA CYS 50 1.089 -5.928 -0.034 418 HB2 CYS 50 HB2 CYS 50 -0.743 -7.843 1.451 419 HB3 CYS 50 HB3 CYS 50 -1.118 -6.746 0.153 420 H ILE 51 H ILE 51 -0.129 -4.234 0.959 421 HA ILE 51 HA ILE 51 0.224 -4.203 3.855 422 HB ILE 51 HB ILE 51 0.566 -1.821 2.009 423 HG12 ILE 51 HG12 ILE 51 2.444 -3.534 3.558 424 HG13 ILE 51 HG13 ILE 51 2.417 -3.277 1.836 425 HG21 ILE 51 HG21 ILE 51 -0.432 -1.199 4.153 426 HG22 ILE 51 HG22 ILE 51 1.229 -0.604 4.003 427 HG23 ILE 51 HG23 ILE 51 0.888 -2.035 4.977 428 HD11 ILE 51 HD11 ILE 51 3.093 -0.963 2.104 429 HD12 ILE 51 HD12 ILE 51 4.255 -2.046 2.876 430 HD13 ILE 51 HD13 ILE 51 3.090 -1.164 3.858 431 H ASP 52 H ASP 52 -1.272 -3.383 5.091 432 HA ASP 52 HA ASP 52 -3.966 -3.405 4.115 433 HB2 ASP 52 HB2 ASP 52 -3.238 -4.435 6.082 434 HB3 ASP 52 HB3 ASP 52 -2.771 -2.920 6.843 435 HA PRO 53 HA PRO 53 -3.962 1.024 3.481 436 HB2 PRO 53 HB2 PRO 53 -6.603 1.295 2.939 437 HB3 PRO 53 HB3 PRO 53 -5.431 0.677 1.772 438 HG2 PRO 53 HG2 PRO 53 -7.323 -0.831 3.529 439 HG3 PRO 53 HG3 PRO 53 -6.922 -1.111 1.826 440 HD2 PRO 53 HD2 PRO 53 -5.869 -2.567 3.831 441 HD3 PRO 53 HD3 PRO 53 -4.965 -2.209 2.343 442 H LYS 54 H LYS 54 -5.243 -0.519 6.209 443 HA LYS 54 HA LYS 54 -6.342 2.001 7.131 444 HB2 LYS 54 HB2 LYS 54 -7.104 0.763 9.249 445 HB3 LYS 54 HB3 LYS 54 -7.795 0.098 7.763 446 HG2 LYS 54 HG2 LYS 54 -7.344 -1.594 9.186 447 HG3 LYS 54 HG3 LYS 54 -5.967 -1.592 8.085 448 HD2 LYS 54 HD2 LYS 54 -4.522 -0.714 9.669 449 HD3 LYS 54 HD3 LYS 54 -5.835 -0.066 10.659 450 HE2 LYS 54 HE2 LYS 54 -5.036 -1.946 11.797 451 HE3 LYS 54 HE3 LYS 54 -6.589 -2.244 10.972 452 HZ1 LYS 54 HZ1 LYS 54 -5.098 -4.170 10.712 453 HZ2 LYS 54 HZ2 LYS 54 -3.925 -3.205 10.069 454 HZ3 LYS 54 HZ3 LYS 54 -5.338 -3.476 9.185 455 H LEU 55 H LEU 55 -3.348 0.740 7.034 456 HA LEU 55 HA LEU 55 -2.284 1.355 9.562 457 HB2 LEU 55 HB2 LEU 55 -1.150 1.165 6.845 458 HB3 LEU 55 HB3 LEU 55 -0.105 1.640 8.133 459 HG LEU 55 HG LEU 55 -1.594 -1.021 7.946 460 HD11 LEU 55 HD11 LEU 55 1.322 -0.354 7.683 461 HD12 LEU 55 HD12 LEU 55 0.229 -0.769 6.361 462 HD13 LEU 55 HD13 LEU 55 0.606 -1.966 7.599 463 HD21 LEU 55 HD21 LEU 55 -1.282 -0.340 10.289 464 HD22 LEU 55 HD22 LEU 55 0.428 -0.027 9.944 465 HD23 LEU 55 HD23 LEU 55 -0.186 -1.660 9.838 466 H LYS 56 H LYS 56 -1.375 3.100 10.396 467 HA LYS 56 HA LYS 56 -2.470 5.603 9.615 468 HB2 LYS 56 HB2 LYS 56 -2.078 4.956 11.941 469 HB3 LYS 56 HB3 LYS 56 -0.343 5.073 11.676 470 HG2 LYS 56 HG2 LYS 56 -0.583 7.430 11.124 471 HG3 LYS 56 HG3 LYS 56 -2.320 7.312 11.373 472 HD2 LYS 56 HD2 LYS 56 -0.230 6.749 13.426 473 HD3 LYS 56 HD3 LYS 56 -1.135 8.271 13.289 474 HE2 LYS 56 HE2 LYS 56 -3.235 6.983 13.651 475 HE3 LYS 56 HE3 LYS 56 -2.274 5.522 13.869 476 HZ1 LYS 56 HZ1 LYS 56 -1.237 6.537 15.803 477 HZ2 LYS 56 HZ2 LYS 56 -2.907 6.500 15.975 478 HZ3 LYS 56 HZ3 LYS 56 -2.143 7.940 15.583 479 H TRP 57 H TRP 57 0.813 4.250 9.331 480 HA TRP 57 HA TRP 57 1.798 6.685 8.276 481 HB2 TRP 57 HB2 TRP 57 3.829 5.504 7.644 482 HB3 TRP 57 HB3 TRP 57 3.350 4.998 9.246 483 HD1 TRP 57 HD1 TRP 57 2.651 2.333 9.506 484 HE1 TRP 57 HE1 TRP 57 3.114 0.373 8.039 485 HE3 TRP 57 HE3 TRP 57 3.968 4.828 5.256 486 HZ2 TRP 57 HZ2 TRP 57 3.931 -0.132 5.387 487 HZ3 TRP 57 HZ3 TRP 57 4.586 3.515 3.288 488 HH2 TRP 57 HH2 TRP 57 4.558 1.078 3.349 489 H ILE 58 H ILE 58 0.013 4.141 6.986 490 HA ILE 58 HA ILE 58 0.484 4.788 4.213 491 HB ILE 58 HB ILE 58 -1.620 3.053 5.574 492 HG12 ILE 58 HG12 ILE 58 0.677 2.147 5.590 493 HG13 ILE 58 HG13 ILE 58 -0.374 1.152 4.612 494 HG21 ILE 58 HG21 ILE 58 -2.205 2.254 3.379 495 HG22 ILE 58 HG22 ILE 58 -1.101 3.431 2.651 496 HG23 ILE 58 HG23 ILE 58 -2.527 4.001 3.533 497 HD11 ILE 58 HD11 ILE 58 1.738 1.428 3.520 498 HD12 ILE 58 HD12 ILE 58 1.588 3.182 3.575 499 HD13 ILE 58 HD13 ILE 58 0.477 2.233 2.589 500 H GLN 59 H GLN 59 -1.784 5.692 6.721 501 HA GLN 59 HA GLN 59 -3.625 7.039 5.080 502 HB2 GLN 59 HB2 GLN 59 -2.865 7.730 7.924 503 HB3 GLN 59 HB3 GLN 59 -4.297 8.304 7.087 504 HG2 GLN 59 HG2 GLN 59 -3.665 5.472 7.873 505 HG3 GLN 59 HG3 GLN 59 -4.891 6.528 8.583 506 HE21 GLN 59 HE21 GLN 59 -4.016 4.556 5.933 507 HE22 GLN 59 HE22 GLN 59 -5.554 4.464 5.169 508 H GLU 60 H GLU 60 -0.683 8.189 6.710 509 HA GLU 60 HA GLU 60 -0.947 10.805 5.673 510 HB2 GLU 60 HB2 GLU 60 1.333 11.199 6.395 511 HB3 GLU 60 HB3 GLU 60 0.435 10.378 7.658 512 HG2 GLU 60 HG2 GLU 60 1.512 8.292 7.089 513 HG3 GLU 60 HG3 GLU 60 2.352 9.067 5.751 514 H TYR 61 H TYR 61 0.478 7.860 4.486 515 HA TYR 61 HA TYR 61 1.953 8.911 2.371 516 HB2 TYR 61 HB2 TYR 61 2.295 6.585 2.868 517 HB3 TYR 61 HB3 TYR 61 0.588 6.225 2.646 518 HD1 TYR 61 HD1 TYR 61 3.608 7.405 0.796 519 HD2 TYR 61 HD2 TYR 61 -0.209 5.546 0.610 520 HE1 TYR 61 HE1 TYR 61 3.958 6.914 -1.592 521 HE2 TYR 61 HE2 TYR 61 0.114 5.046 -1.725 522 HH TYR 61 HH TYR 61 3.152 5.370 -3.284 523 H LEU 62 H LEU 62 -1.432 7.738 2.332 524 HA LEU 62 HA LEU 62 -1.648 8.719 -0.332 525 HB2 LEU 62 HB2 LEU 62 -3.916 7.840 1.452 526 HB3 LEU 62 HB3 LEU 62 -4.081 8.276 -0.235 527 HG LEU 62 HG LEU 62 -2.197 6.314 -0.409 528 HD11 LEU 62 HD11 LEU 62 -2.767 4.490 0.951 529 HD12 LEU 62 HD12 LEU 62 -3.865 5.506 1.887 530 HD13 LEU 62 HD13 LEU 62 -2.136 5.853 1.872 531 HD21 LEU 62 HD21 LEU 62 -4.241 6.445 -1.748 532 HD22 LEU 62 HD22 LEU 62 -5.188 5.900 -0.362 533 HD23 LEU 62 HD23 LEU 62 -4.005 4.823 -1.101 534 H GLU 63 H GLU 63 -2.261 10.076 2.772 535 HA GLU 63 HA GLU 63 -3.662 12.360 2.052 536 HB2 GLU 63 HB2 GLU 63 -2.998 11.708 4.366 537 HB3 GLU 63 HB3 GLU 63 -1.331 12.069 3.959 538 HG2 GLU 63 HG2 GLU 63 -1.887 14.395 3.674 539 HG3 GLU 63 HG3 GLU 63 -3.581 14.038 4.037 540 H LYS 64 H LYS 64 -0.195 11.702 2.058 541 HA LYS 64 HA LYS 64 0.751 14.029 0.877 542 HB2 LYS 64 HB2 LYS 64 2.219 12.513 2.006 543 HB3 LYS 64 HB3 LYS 64 1.799 11.218 0.908 544 HG2 LYS 64 HG2 LYS 64 3.825 11.786 0.131 545 HG3 LYS 64 HG3 LYS 64 2.793 12.713 -0.897 546 HD2 LYS 64 HD2 LYS 64 4.145 13.932 1.535 547 HD3 LYS 64 HD3 LYS 64 4.779 14.048 -0.098 548 HE2 LYS 64 HE2 LYS 64 2.700 15.266 -0.760 549 HE3 LYS 64 HE3 LYS 64 2.159 15.179 0.913 550 HZ1 LYS 64 HZ1 LYS 64 4.089 16.438 1.576 551 HZ2 LYS 64 HZ2 LYS 64 3.171 17.294 0.454 552 HZ3 LYS 64 HZ3 LYS 64 4.606 16.538 -0.018 553 H ALA 65 H ALA 65 0.593 10.872 -0.628 554 HA ALA 65 HA ALA 65 1.114 11.614 -3.250 555 HB1 ALA 65 HB1 ALA 65 0.307 9.465 -3.941 556 HB2 ALA 65 HB2 ALA 65 -0.559 9.272 -2.418 557 HB3 ALA 65 HB3 ALA 65 1.211 9.303 -2.427 558 H LEU 66 H LEU 66 -2.053 11.616 -1.676 559 HA LEU 66 HA LEU 66 -3.254 12.108 -4.240 560 HB2 LEU 66 HB2 LEU 66 -4.548 11.976 -1.525 561 HB3 LEU 66 HB3 LEU 66 -5.426 12.224 -3.017 562 HG LEU 66 HG LEU 66 -3.848 9.754 -2.284 563 HD11 LEU 66 HD11 LEU 66 -6.813 10.226 -2.494 564 HD12 LEU 66 HD12 LEU 66 -5.891 9.937 -1.016 565 HD13 LEU 66 HD13 LEU 66 -6.032 8.666 -2.227 566 HD21 LEU 66 HD21 LEU 66 -5.524 10.346 -4.724 567 HD22 LEU 66 HD22 LEU 66 -4.823 8.780 -4.316 568 HD23 LEU 66 HD23 LEU 66 -3.772 10.141 -4.693 569 H ASN 67 H ASN 67 -2.275 13.995 -1.425 570 HA ASN 67 HA ASN 67 -3.616 16.378 -2.289 571 HB2 ASN 67 HB2 ASN 67 -2.774 16.044 0.052 572 HB3 ASN 67 HB3 ASN 67 -1.134 16.121 -0.569 573 HD21 ASN 67 HD21 ASN 67 -0.601 17.919 0.657 574 HD22 ASN 67 HD22 ASN 67 -1.238 19.483 0.332 575 H LYS 68 H LYS 68 -0.618 14.817 -2.907 576 HA LYS 68 HA LYS 68 0.971 16.708 -4.122 577 HB2 LYS 68 HB2 LYS 68 1.704 14.475 -3.516 578 HB3 LYS 68 HB3 LYS 68 0.658 13.782 -4.733 579 HG2 LYS 68 HG2 LYS 68 1.979 14.804 -6.492 580 HG3 LYS 68 HG3 LYS 68 3.020 15.569 -5.285 581 HD2 LYS 68 HD2 LYS 68 3.674 13.436 -4.442 582 HD3 LYS 68 HD3 LYS 68 2.596 12.607 -5.566 583 HE2 LYS 68 HE2 LYS 68 4.989 14.303 -6.307 584 HE3 LYS 68 HE3 LYS 68 4.924 12.547 -6.355 585 HZ1 LYS 68 HZ1 LYS 68 3.272 14.381 -8.015 586 HZ2 LYS 68 HZ2 LYS 68 3.185 12.698 -8.046 587 HZ3 LYS 68 HZ3 LYS 68 4.587 13.476 -8.546 Start of MODEL 12 1 H LYS 1 H LYS 1 -9.487 -14.594 -16.982 2 HA LYS 1 HA LYS 1 -8.968 -16.891 -16.587 3 HB2 LYS 1 HB2 LYS 1 -10.133 -17.116 -14.382 4 HB3 LYS 1 HB3 LYS 1 -9.472 -15.512 -14.634 5 HG2 LYS 1 HG2 LYS 1 -11.694 -14.687 -15.195 6 HG3 LYS 1 HG3 LYS 1 -12.363 -16.302 -14.965 7 HD2 LYS 1 HD2 LYS 1 -12.782 -14.953 -12.991 8 HD3 LYS 1 HD3 LYS 1 -11.630 -16.222 -12.598 9 HE2 LYS 1 HE2 LYS 1 -10.966 -14.102 -11.589 10 HE3 LYS 1 HE3 LYS 1 -9.787 -14.603 -12.793 11 HZ1 LYS 1 HZ1 LYS 1 -11.940 -12.604 -13.252 12 HZ2 LYS 1 HZ2 LYS 1 -10.739 -13.007 -14.342 13 HZ3 LYS 1 HZ3 LYS 1 -10.353 -12.215 -12.910 14 HA PRO 2 HA PRO 2 -11.630 -19.767 -18.652 15 HB2 PRO 2 HB2 PRO 2 -10.568 -22.039 -17.466 16 HB3 PRO 2 HB3 PRO 2 -9.917 -21.256 -18.910 17 HG2 PRO 2 HG2 PRO 2 -9.020 -21.060 -16.073 18 HG3 PRO 2 HG3 PRO 2 -8.062 -21.083 -17.564 19 HD2 PRO 2 HD2 PRO 2 -8.517 -18.817 -16.194 20 HD3 PRO 2 HD3 PRO 2 -8.394 -18.838 -17.965 21 H VAL 3 H VAL 3 -11.012 -20.197 -15.178 22 HA VAL 3 HA VAL 3 -13.658 -21.349 -14.871 23 HB VAL 3 HB VAL 3 -11.560 -20.741 -12.751 24 HG11 VAL 3 HG11 VAL 3 -14.036 -22.452 -12.614 25 HG12 VAL 3 HG12 VAL 3 -13.789 -20.896 -11.819 26 HG13 VAL 3 HG13 VAL 3 -12.828 -22.296 -11.337 27 HG21 VAL 3 HG21 VAL 3 -11.045 -23.136 -12.788 28 HG22 VAL 3 HG22 VAL 3 -10.707 -22.381 -14.345 29 HG23 VAL 3 HG23 VAL 3 -12.160 -23.359 -14.135 30 H SER 4 H SER 4 -15.285 -19.903 -14.844 31 HA SER 4 HA SER 4 -14.732 -17.190 -13.989 32 HB2 SER 4 HB2 SER 4 -17.169 -18.409 -15.302 33 HB3 SER 4 HB3 SER 4 -16.912 -16.686 -15.001 34 HG SER 4 HG SER 4 -14.812 -17.873 -16.260 35 H LEU 5 H LEU 5 -15.042 -19.559 -12.193 36 HA LEU 5 HA LEU 5 -17.224 -18.643 -10.482 37 HB2 LEU 5 HB2 LEU 5 -15.410 -21.055 -10.232 38 HB3 LEU 5 HB3 LEU 5 -16.729 -20.662 -9.154 39 HG LEU 5 HG LEU 5 -17.011 -21.419 -12.063 40 HD11 LEU 5 HD11 LEU 5 -17.976 -23.485 -11.187 41 HD12 LEU 5 HD12 LEU 5 -17.612 -22.960 -9.544 42 HD13 LEU 5 HD13 LEU 5 -16.300 -23.287 -10.678 43 HD21 LEU 5 HD21 LEU 5 -18.784 -19.900 -11.341 44 HD22 LEU 5 HD22 LEU 5 -19.099 -20.919 -9.934 45 HD23 LEU 5 HD23 LEU 5 -19.411 -21.533 -11.557 46 H SER 6 H SER 6 -16.639 -17.110 -9.129 47 HA SER 6 HA SER 6 -15.534 -15.835 -7.639 48 HB2 SER 6 HB2 SER 6 -13.679 -18.217 -7.335 49 HB3 SER 6 HB3 SER 6 -13.769 -16.844 -6.232 50 HG SER 6 HG SER 6 -15.903 -17.424 -5.764 51 H TYR 7 H TYR 7 -13.250 -14.826 -7.168 52 HA TYR 7 HA TYR 7 -11.743 -14.596 -9.677 53 HB2 TYR 7 HB2 TYR 7 -12.474 -12.409 -7.725 54 HB3 TYR 7 HB3 TYR 7 -11.403 -12.218 -9.093 55 HD1 TYR 7 HD1 TYR 7 -12.321 -12.121 -11.353 56 HD2 TYR 7 HD2 TYR 7 -14.863 -12.464 -7.971 57 HE1 TYR 7 HE1 TYR 7 -14.235 -11.419 -12.727 58 HE2 TYR 7 HE2 TYR 7 -16.780 -11.777 -9.337 59 HH TYR 7 HH TYR 7 -16.612 -11.624 -12.726 60 H ARG 8 H ARG 8 -9.482 -14.413 -9.339 61 HA ARG 8 HA ARG 8 -8.687 -14.742 -6.570 62 HB2 ARG 8 HB2 ARG 8 -6.493 -15.318 -7.320 63 HB3 ARG 8 HB3 ARG 8 -7.626 -16.229 -8.290 64 HG2 ARG 8 HG2 ARG 8 -7.239 -14.852 -10.196 65 HG3 ARG 8 HG3 ARG 8 -6.369 -13.663 -9.215 66 HD2 ARG 8 HD2 ARG 8 -5.481 -16.494 -9.781 67 HD3 ARG 8 HD3 ARG 8 -4.781 -15.023 -10.471 68 HE ARG 8 HE ARG 8 -4.825 -15.228 -7.569 69 HH11 ARG 8 HH11 ARG 8 -2.831 -15.564 -10.487 70 HH12 ARG 8 HH12 ARG 8 -1.369 -15.480 -9.632 71 HH21 ARG 8 HH21 ARG 8 -2.843 -15.113 -6.427 72 HH22 ARG 8 HH22 ARG 8 -1.374 -15.230 -7.275 73 H CYS 9 H CYS 9 -6.928 -13.360 -5.743 74 HA CYS 9 HA CYS 9 -7.096 -10.712 -6.943 75 HB2 CYS 9 HB2 CYS 9 -7.214 -11.424 -4.020 76 HB3 CYS 9 HB3 CYS 9 -7.152 -9.789 -4.658 77 HA PRO 10 HA PRO 10 -2.636 -10.584 -6.886 78 HB2 PRO 10 HB2 PRO 10 -3.120 -7.739 -5.991 79 HB3 PRO 10 HB3 PRO 10 -2.087 -8.356 -7.284 80 HG2 PRO 10 HG2 PRO 10 -4.399 -7.254 -7.861 81 HG3 PRO 10 HG3 PRO 10 -3.874 -8.715 -8.713 82 HD2 PRO 10 HD2 PRO 10 -5.895 -8.424 -6.531 83 HD3 PRO 10 HD3 PRO 10 -5.913 -9.462 -7.977 84 H CYS 11 H CYS 11 -4.509 -9.444 -4.111 85 HA CYS 11 HA CYS 11 -2.349 -10.417 -2.407 86 HB2 CYS 11 HB2 CYS 11 -3.961 -7.911 -2.003 87 HB3 CYS 11 HB3 CYS 11 -3.011 -8.658 -0.731 88 H ARG 12 H ARG 12 -2.889 -11.599 -0.713 89 HA ARG 12 HA ARG 12 -5.729 -12.213 -0.348 90 HB2 ARG 12 HB2 ARG 12 -3.267 -13.779 0.371 91 HB3 ARG 12 HB3 ARG 12 -4.886 -14.227 0.875 92 HG2 ARG 12 HG2 ARG 12 -5.541 -14.459 -1.467 93 HG3 ARG 12 HG3 ARG 12 -3.894 -14.038 -1.962 94 HD2 ARG 12 HD2 ARG 12 -4.263 -16.457 -1.933 95 HD3 ARG 12 HD3 ARG 12 -3.027 -15.947 -0.771 96 HE ARG 12 HE ARG 12 -5.729 -16.213 0.238 97 HH11 ARG 12 HH11 ARG 12 -2.527 -17.682 -0.070 98 HH12 ARG 12 HH12 ARG 12 -2.778 -18.798 1.197 99 HH21 ARG 12 HH21 ARG 12 -6.045 -17.757 1.989 100 HH22 ARG 12 HH22 ARG 12 -4.773 -18.846 2.358 101 H PHE 13 H PHE 13 -2.754 -11.368 1.317 102 HA PHE 13 HA PHE 13 -4.373 -10.459 3.553 103 HB2 PHE 13 HB2 PHE 13 -2.587 -11.231 5.114 104 HB3 PHE 13 HB3 PHE 13 -3.385 -12.562 4.291 105 HD1 PHE 13 HD1 PHE 13 -0.264 -10.639 4.604 106 HD2 PHE 13 HD2 PHE 13 -2.173 -13.955 2.735 107 HE1 PHE 13 HE1 PHE 13 1.929 -11.494 3.893 108 HE2 PHE 13 HE2 PHE 13 0.021 -14.815 2.020 109 HZ PHE 13 HZ PHE 13 2.071 -13.588 2.598 110 H PHE 14 H PHE 14 -3.240 -8.818 4.814 111 HA PHE 14 HA PHE 14 -1.181 -7.322 3.280 112 HB2 PHE 14 HB2 PHE 14 -3.491 -6.211 4.819 113 HB3 PHE 14 HB3 PHE 14 -2.292 -5.253 3.962 114 HD1 PHE 14 HD1 PHE 14 -2.345 -5.339 1.437 115 HD2 PHE 14 HD2 PHE 14 -5.427 -6.988 3.838 116 HE1 PHE 14 HE1 PHE 14 -3.846 -5.324 -0.497 117 HE2 PHE 14 HE2 PHE 14 -6.947 -6.975 1.925 118 HZ PHE 14 HZ PHE 14 -6.165 -6.141 -0.262 119 H GLU 15 H GLU 15 0.316 -6.365 4.517 120 HA GLU 15 HA GLU 15 0.560 -7.369 7.200 121 HB2 GLU 15 HB2 GLU 15 2.381 -5.749 5.447 122 HB3 GLU 15 HB3 GLU 15 2.767 -6.202 7.097 123 HG2 GLU 15 HG2 GLU 15 2.123 -8.082 4.911 124 HG3 GLU 15 HG3 GLU 15 3.769 -7.608 5.341 125 H SER 16 H SER 16 -0.078 -6.315 8.826 126 HA SER 16 HA SER 16 -0.555 -3.445 8.669 127 HB2 SER 16 HB2 SER 16 -1.272 -5.436 10.836 128 HB3 SER 16 HB3 SER 16 -1.826 -3.760 10.725 129 HG SER 16 HG SER 16 -3.264 -4.328 9.298 130 H HIS 17 H HIS 17 1.837 -5.477 9.330 131 HA HIS 17 HA HIS 17 2.977 -4.115 11.656 132 HB2 HIS 17 HB2 HIS 17 3.734 -6.673 10.238 133 HB3 HIS 17 HB3 HIS 17 4.691 -5.973 11.530 134 HD1 HIS 17 HD1 HIS 17 1.651 -8.052 10.895 135 HD2 HIS 17 HD2 HIS 17 3.469 -6.114 14.100 136 HE1 HIS 17 HE1 HIS 17 0.584 -8.965 12.911 137 HE2 HIS 17 HE2 HIS 17 1.449 -7.551 14.778 138 H VAL 18 H VAL 18 2.872 -2.954 8.873 139 HA VAL 18 HA VAL 18 5.598 -3.232 7.989 140 HB VAL 18 HB VAL 18 3.453 -1.534 6.709 141 HG11 VAL 18 HG11 VAL 18 4.891 -1.651 4.698 142 HG12 VAL 18 HG12 VAL 18 6.087 -2.547 5.627 143 HG13 VAL 18 HG13 VAL 18 5.720 -0.878 6.051 144 HG21 VAL 18 HG21 VAL 18 2.785 -3.871 6.738 145 HG22 VAL 18 HG22 VAL 18 4.323 -4.351 6.037 146 HG23 VAL 18 HG23 VAL 18 3.199 -3.380 5.104 147 H ALA 19 H ALA 19 7.155 -1.701 8.056 148 HA ALA 19 HA ALA 19 6.571 0.761 9.533 149 HB1 ALA 19 HB1 ALA 19 8.972 0.784 10.083 150 HB2 ALA 19 HB2 ALA 19 9.197 -0.679 9.126 151 HB3 ALA 19 HB3 ALA 19 8.213 -0.730 10.583 152 H ARG 20 H ARG 20 7.048 2.713 8.635 153 HA ARG 20 HA ARG 20 7.236 2.925 5.812 154 HB2 ARG 20 HB2 ARG 20 6.053 4.606 7.115 155 HB3 ARG 20 HB3 ARG 20 7.522 5.036 7.959 156 HG2 ARG 20 HG2 ARG 20 6.896 6.705 6.280 157 HG3 ARG 20 HG3 ARG 20 8.454 5.968 5.907 158 HD2 ARG 20 HD2 ARG 20 7.443 4.565 4.236 159 HD3 ARG 20 HD3 ARG 20 5.833 5.117 4.680 160 HE ARG 20 HE ARG 20 7.230 7.359 3.995 161 HH11 ARG 20 HH11 ARG 20 6.304 4.363 2.383 162 HH12 ARG 20 HH12 ARG 20 6.234 5.059 0.815 163 HH21 ARG 20 HH21 ARG 20 7.097 8.307 1.834 164 HH22 ARG 20 HH22 ARG 20 6.683 7.322 0.501 165 H ALA 21 H ALA 21 9.583 3.043 8.357 166 HA ALA 21 HA ALA 21 11.719 4.035 6.720 167 HB1 ALA 21 HB1 ALA 21 11.695 4.352 9.150 168 HB2 ALA 21 HB2 ALA 21 13.146 3.498 8.624 169 HB3 ALA 21 HB3 ALA 21 11.824 2.608 9.373 170 H ASN 22 H ASN 22 10.137 1.111 6.820 171 HA ASN 22 HA ASN 22 12.551 -0.320 5.979 172 HB2 ASN 22 HB2 ASN 22 11.503 -1.194 8.044 173 HB3 ASN 22 HB3 ASN 22 10.012 -1.467 7.163 174 HD21 ASN 22 HD21 ASN 22 10.057 -3.606 7.671 175 HD22 ASN 22 HD22 ASN 22 11.106 -4.768 6.995 176 H VAL 23 H VAL 23 9.905 1.168 4.648 177 HA VAL 23 HA VAL 23 9.581 -0.896 2.646 178 HB VAL 23 HB VAL 23 7.518 0.227 3.345 179 HG11 VAL 23 HG11 VAL 23 7.058 2.562 2.819 180 HG12 VAL 23 HG12 VAL 23 8.719 2.758 2.259 181 HG13 VAL 23 HG13 VAL 23 8.398 2.395 3.956 182 HG21 VAL 23 HG21 VAL 23 6.602 0.807 1.160 183 HG22 VAL 23 HG22 VAL 23 7.647 -0.613 1.078 184 HG23 VAL 23 HG23 VAL 23 8.240 0.950 0.511 185 H LYS 24 H LYS 24 10.690 -1.025 0.851 186 HA LYS 24 HA LYS 24 12.595 1.100 0.105 187 HB2 LYS 24 HB2 LYS 24 13.434 -0.440 -1.532 188 HB3 LYS 24 HB3 LYS 24 13.367 -1.231 0.028 189 HG2 LYS 24 HG2 LYS 24 11.601 -2.608 -0.569 190 HG3 LYS 24 HG3 LYS 24 11.093 -1.553 -1.878 191 HD2 LYS 24 HD2 LYS 24 13.583 -3.284 -1.869 192 HD3 LYS 24 HD3 LYS 24 12.049 -3.598 -2.711 193 HE2 LYS 24 HE2 LYS 24 12.286 -1.520 -3.915 194 HE3 LYS 24 HE3 LYS 24 13.795 -1.208 -3.205 195 HZ1 LYS 24 HZ1 LYS 24 14.185 -2.220 -5.336 196 HZ2 LYS 24 HZ2 LYS 24 13.274 -3.568 -4.950 197 HZ3 LYS 24 HZ3 LYS 24 14.728 -3.277 -4.166 198 H HIS 25 H HIS 25 9.667 -0.288 -1.022 199 HA HIS 25 HA HIS 25 9.413 1.683 -3.093 200 HB2 HIS 25 HB2 HIS 25 10.900 0.178 -4.196 201 HB3 HIS 25 HB3 HIS 25 10.022 -1.214 -3.612 202 HD1 HIS 25 HD1 HIS 25 9.161 1.774 -5.877 203 HD2 HIS 25 HD2 HIS 25 8.755 -2.305 -5.486 204 HE1 HIS 25 HE1 HIS 25 7.832 1.079 -7.885 205 HE2 HIS 25 HE2 HIS 25 7.864 -1.453 -7.770 206 H LEU 26 H LEU 26 7.375 2.188 -3.066 207 HA LEU 26 HA LEU 26 5.425 0.251 -2.054 208 HB2 LEU 26 HB2 LEU 26 5.877 2.292 -0.706 209 HB3 LEU 26 HB3 LEU 26 5.381 3.268 -2.065 210 HG LEU 26 HG LEU 26 3.086 2.448 -1.845 211 HD11 LEU 26 HD11 LEU 26 4.216 0.895 0.471 212 HD12 LEU 26 HD12 LEU 26 3.573 0.219 -1.025 213 HD13 LEU 26 HD13 LEU 26 2.501 1.068 0.095 214 HD21 LEU 26 HD21 LEU 26 4.280 3.381 0.758 215 HD22 LEU 26 HD22 LEU 26 2.577 3.470 0.302 216 HD23 LEU 26 HD23 LEU 26 3.774 4.414 -0.579 217 H LYS 27 H LYS 27 3.801 -0.351 -3.436 218 HA LYS 27 HA LYS 27 3.247 1.257 -5.830 219 HB2 LYS 27 HB2 LYS 27 4.973 -0.729 -6.133 220 HB3 LYS 27 HB3 LYS 27 3.615 -1.715 -5.844 221 HG2 LYS 27 HG2 LYS 27 3.627 0.257 -8.117 222 HG3 LYS 27 HG3 LYS 27 4.237 -1.388 -8.236 223 HD2 LYS 27 HD2 LYS 27 1.416 -0.700 -7.394 224 HD3 LYS 27 HD3 LYS 27 1.872 -1.093 -9.054 225 HE2 LYS 27 HE2 LYS 27 2.320 -2.874 -6.673 226 HE3 LYS 27 HE3 LYS 27 0.946 -3.040 -7.770 227 HZ1 LYS 27 HZ1 LYS 27 2.714 -4.589 -8.317 228 HZ2 LYS 27 HZ2 LYS 27 3.826 -3.343 -8.506 229 HZ3 LYS 27 HZ3 LYS 27 2.521 -3.486 -9.559 230 H ILE 28 H ILE 28 1.139 1.681 -5.381 231 HA ILE 28 HA ILE 28 -0.433 -0.451 -4.170 232 HB ILE 28 HB ILE 28 -1.412 2.374 -4.749 233 HG12 ILE 28 HG12 ILE 28 -0.383 1.141 -2.206 234 HG13 ILE 28 HG13 ILE 28 0.480 2.360 -3.135 235 HG21 ILE 28 HG21 ILE 28 -3.194 0.664 -4.496 236 HG22 ILE 28 HG22 ILE 28 -3.178 1.782 -3.125 237 HG23 ILE 28 HG23 ILE 28 -2.471 0.179 -2.956 238 HD11 ILE 28 HD11 ILE 28 -0.571 3.301 -1.160 239 HD12 ILE 28 HD12 ILE 28 -2.134 2.697 -1.661 240 HD13 ILE 28 HD13 ILE 28 -1.347 3.961 -2.612 241 H LEU 29 H LEU 29 -1.928 -1.650 -5.138 242 HA LEU 29 HA LEU 29 -2.463 -1.189 -7.978 243 HB2 LEU 29 HB2 LEU 29 -1.040 -3.113 -7.614 244 HB3 LEU 29 HB3 LEU 29 -2.140 -3.736 -6.404 245 HG LEU 29 HG LEU 29 -3.791 -4.250 -8.092 246 HD11 LEU 29 HD11 LEU 29 -3.345 -2.398 -9.654 247 HD12 LEU 29 HD12 LEU 29 -3.296 -3.951 -10.488 248 HD13 LEU 29 HD13 LEU 29 -1.792 -3.126 -10.074 249 HD21 LEU 29 HD21 LEU 29 -1.047 -5.209 -8.868 250 HD22 LEU 29 HD22 LEU 29 -2.585 -5.968 -9.289 251 HD23 LEU 29 HD23 LEU 29 -2.077 -5.891 -7.608 252 H ASN 30 H ASN 30 -4.496 -0.460 -8.164 253 HA ASN 30 HA ASN 30 -6.497 -1.352 -6.266 254 HB2 ASN 30 HB2 ASN 30 -7.998 0.324 -7.401 255 HB3 ASN 30 HB3 ASN 30 -6.564 1.024 -6.669 256 HD21 ASN 30 HD21 ASN 30 -8.203 0.297 -9.647 257 HD22 ASN 30 HD22 ASN 30 -7.187 1.240 -10.667 258 H THR 31 H THR 31 -7.876 -2.915 -6.636 259 HA THR 31 HA THR 31 -8.300 -3.703 -9.412 260 HB THR 31 HB THR 31 -8.218 -5.490 -6.995 261 HG1 THR 31 HG1 THR 31 -6.319 -4.867 -9.015 262 HG21 THR 31 HG21 THR 31 -8.244 -7.346 -8.633 263 HG22 THR 31 HG22 THR 31 -8.396 -6.174 -9.937 264 HG23 THR 31 HG23 THR 31 -9.695 -6.346 -8.754 265 HA PRO 32 HA PRO 32 -12.570 -2.457 -8.852 266 HB2 PRO 32 HB2 PRO 32 -12.890 -4.914 -10.500 267 HB3 PRO 32 HB3 PRO 32 -13.636 -3.339 -10.734 268 HG2 PRO 32 HG2 PRO 32 -11.563 -4.100 -12.203 269 HG3 PRO 32 HG3 PRO 32 -11.692 -2.430 -11.644 270 HD2 PRO 32 HD2 PRO 32 -9.847 -4.574 -10.736 271 HD3 PRO 32 HD3 PRO 32 -9.670 -2.807 -10.679 272 H ASN 33 H ASN 33 -11.541 -5.743 -8.176 273 HA ASN 33 HA ASN 33 -14.074 -6.295 -6.752 274 HB2 ASN 33 HB2 ASN 33 -12.539 -8.174 -8.543 275 HB3 ASN 33 HB3 ASN 33 -13.937 -8.616 -7.580 276 HD21 ASN 33 HD21 ASN 33 -13.385 -8.569 -10.496 277 HD22 ASN 33 HD22 ASN 33 -14.706 -7.698 -11.193 278 H CYS 34 H CYS 34 -10.898 -5.809 -6.415 279 HA CYS 34 HA CYS 34 -10.726 -7.702 -4.233 280 HB2 CYS 34 HB2 CYS 34 -8.602 -7.207 -6.301 281 HB3 CYS 34 HB3 CYS 34 -8.375 -8.083 -4.793 282 H ALA 35 H ALA 35 -11.077 -4.708 -4.913 283 HA ALA 35 HA ALA 35 -10.873 -2.837 -3.697 284 HB1 ALA 35 HB1 ALA 35 -9.300 -4.519 -1.882 285 HB2 ALA 35 HB2 ALA 35 -11.071 -4.416 -1.883 286 HB3 ALA 35 HB3 ALA 35 -10.086 -2.981 -1.425 287 H LEU 36 H LEU 36 -8.924 -1.621 -2.211 288 HA LEU 36 HA LEU 36 -6.994 -1.006 -4.130 289 HB2 LEU 36 HB2 LEU 36 -8.319 0.656 -2.881 290 HB3 LEU 36 HB3 LEU 36 -7.719 -0.022 -1.384 291 HG LEU 36 HG LEU 36 -5.562 0.484 -2.045 292 HD11 LEU 36 HD11 LEU 36 -6.916 2.069 -4.283 293 HD12 LEU 36 HD12 LEU 36 -5.781 0.735 -4.483 294 HD13 LEU 36 HD13 LEU 36 -5.217 2.284 -3.860 295 HD21 LEU 36 HD21 LEU 36 -5.692 2.958 -1.553 296 HD22 LEU 36 HD22 LEU 36 -6.643 1.923 -0.487 297 HD23 LEU 36 HD23 LEU 36 -7.435 2.828 -1.777 298 H GLN 37 H GLN 37 -5.478 -2.596 -4.121 299 HA GLN 37 HA GLN 37 -4.534 -3.758 -1.622 300 HB2 GLN 37 HB2 GLN 37 -4.373 -4.500 -4.509 301 HB3 GLN 37 HB3 GLN 37 -3.360 -5.269 -3.306 302 HG2 GLN 37 HG2 GLN 37 -5.115 -6.358 -2.305 303 HG3 GLN 37 HG3 GLN 37 -6.298 -5.179 -2.862 304 HE21 GLN 37 HE21 GLN 37 -5.641 -5.079 -5.476 305 HE22 GLN 37 HE22 GLN 37 -6.054 -6.535 -6.277 306 H ILE 38 H ILE 38 -2.632 -3.126 -0.844 307 HA ILE 38 HA ILE 38 -0.961 -1.435 -2.537 308 HB ILE 38 HB ILE 38 -0.901 -1.973 0.402 309 HG12 ILE 38 HG12 ILE 38 -1.903 0.485 -1.044 310 HG13 ILE 38 HG13 ILE 38 -2.901 -0.744 -0.277 311 HG21 ILE 38 HG21 ILE 38 1.292 -1.365 -0.310 312 HG22 ILE 38 HG22 ILE 38 0.602 0.087 0.444 313 HG23 ILE 38 HG23 ILE 38 0.694 -0.058 -1.304 314 HD11 ILE 38 HD11 ILE 38 -2.019 -0.155 1.886 315 HD12 ILE 38 HD12 ILE 38 -2.647 1.275 1.043 316 HD13 ILE 38 HD13 ILE 38 -0.910 1.005 1.113 317 H VAL 39 H VAL 39 1.076 -2.163 -3.165 318 HA VAL 39 HA VAL 39 2.045 -4.689 -2.008 319 HB VAL 39 HB VAL 39 2.446 -3.600 -4.808 320 HG11 VAL 39 HG11 VAL 39 4.378 -4.805 -4.129 321 HG12 VAL 39 HG12 VAL 39 3.500 -5.755 -5.317 322 HG13 VAL 39 HG13 VAL 39 3.404 -6.193 -3.606 323 HG21 VAL 39 HG21 VAL 39 1.104 -5.510 -5.582 324 HG22 VAL 39 HG22 VAL 39 0.178 -4.434 -4.539 325 HG23 VAL 39 HG23 VAL 39 0.792 -5.962 -3.904 326 H ALA 40 H ALA 40 3.979 -4.491 -1.035 327 HA ALA 40 HA ALA 40 5.789 -2.406 -1.970 328 HB1 ALA 40 HB1 ALA 40 6.191 -1.597 0.238 329 HB2 ALA 40 HB2 ALA 40 5.002 -2.724 0.894 330 HB3 ALA 40 HB3 ALA 40 4.486 -1.418 -0.170 331 H ARG 41 H ARG 41 7.925 -2.857 -1.637 332 HA ARG 41 HA ARG 41 8.423 -5.317 -0.262 333 HB2 ARG 41 HB2 ARG 41 9.590 -4.156 -2.627 334 HB3 ARG 41 HB3 ARG 41 10.795 -4.761 -1.498 335 HG2 ARG 41 HG2 ARG 41 9.680 -6.853 -1.394 336 HG3 ARG 41 HG3 ARG 41 8.420 -6.347 -2.479 337 HD2 ARG 41 HD2 ARG 41 11.326 -6.664 -2.984 338 HD3 ARG 41 HD3 ARG 41 9.940 -7.678 -3.520 339 HE ARG 41 HE ARG 41 9.395 -5.241 -4.557 340 HH11 ARG 41 HH11 ARG 41 12.210 -7.391 -4.869 341 HH12 ARG 41 HH12 ARG 41 12.541 -6.962 -6.476 342 HH21 ARG 41 HH21 ARG 41 9.887 -4.640 -6.831 343 HH22 ARG 41 HH22 ARG 41 11.201 -5.395 -7.591 344 H LEU 42 H LEU 42 9.946 -5.547 1.144 345 HA LEU 42 HA LEU 42 10.389 -3.167 2.751 346 HB2 LEU 42 HB2 LEU 42 11.111 -6.014 3.354 347 HB3 LEU 42 HB3 LEU 42 11.058 -4.733 4.482 348 HG LEU 42 HG LEU 42 8.595 -5.736 3.043 349 HD11 LEU 42 HD11 LEU 42 9.472 -6.144 5.885 350 HD12 LEU 42 HD12 LEU 42 9.319 -7.377 4.616 351 HD13 LEU 42 HD13 LEU 42 7.892 -6.560 5.229 352 HD21 LEU 42 HD21 LEU 42 8.896 -3.679 5.230 353 HD22 LEU 42 HD22 LEU 42 7.359 -4.300 4.619 354 HD23 LEU 42 HD23 LEU 42 8.420 -3.374 3.560 355 H LYS 43 H LYS 43 12.435 -2.647 3.610 356 HA LYS 43 HA LYS 43 14.594 -2.897 1.704 357 HB2 LYS 43 HB2 LYS 43 14.474 -1.471 4.364 358 HB3 LYS 43 HB3 LYS 43 15.767 -1.339 3.186 359 HG2 LYS 43 HG2 LYS 43 14.234 -0.322 1.596 360 HG3 LYS 43 HG3 LYS 43 12.908 -0.482 2.749 361 HD2 LYS 43 HD2 LYS 43 13.786 1.789 2.761 362 HD3 LYS 43 HD3 LYS 43 14.125 1.003 4.305 363 HE2 LYS 43 HE2 LYS 43 16.389 0.549 3.614 364 HE3 LYS 43 HE3 LYS 43 16.055 1.215 2.015 365 HZ1 LYS 43 HZ1 LYS 43 15.707 3.389 3.089 366 HZ2 LYS 43 HZ2 LYS 43 17.236 2.803 3.451 367 HZ3 LYS 43 HZ3 LYS 43 16.016 2.727 4.588 368 H ASN 44 H ASN 44 14.052 -3.611 5.126 369 HA ASN 44 HA ASN 44 16.631 -4.864 5.399 370 HB2 ASN 44 HB2 ASN 44 15.787 -3.610 7.289 371 HB3 ASN 44 HB3 ASN 44 14.310 -4.554 7.311 372 HD21 ASN 44 HD21 ASN 44 17.709 -4.543 8.059 373 HD22 ASN 44 HD22 ASN 44 17.697 -5.948 9.057 374 H ASN 45 H ASN 45 13.331 -5.841 5.162 375 HA ASN 45 HA ASN 45 14.088 -8.625 5.523 376 HB2 ASN 45 HB2 ASN 45 12.207 -7.717 6.776 377 HB3 ASN 45 HB3 ASN 45 11.346 -7.375 5.281 378 HD21 ASN 45 HD21 ASN 45 9.642 -8.619 6.063 379 HD22 ASN 45 HD22 ASN 45 9.678 -10.325 6.093 380 H ASN 46 H ASN 46 13.254 -6.413 3.019 381 HA ASN 46 HA ASN 46 13.298 -6.497 0.725 382 HB2 ASN 46 HB2 ASN 46 15.426 -7.744 1.157 383 HB3 ASN 46 HB3 ASN 46 14.523 -9.247 1.086 384 HD21 ASN 46 HD21 ASN 46 15.567 -10.052 -0.654 385 HD22 ASN 46 HD22 ASN 46 15.500 -9.390 -2.243 386 H ARG 47 H ARG 47 11.280 -8.539 2.442 387 HA ARG 47 HA ARG 47 10.252 -10.050 0.285 388 HB2 ARG 47 HB2 ARG 47 9.183 -9.356 2.966 389 HB3 ARG 47 HB3 ARG 47 8.452 -10.509 1.875 390 HG2 ARG 47 HG2 ARG 47 10.539 -11.851 2.002 391 HG3 ARG 47 HG3 ARG 47 11.141 -10.671 3.188 392 HD2 ARG 47 HD2 ARG 47 9.297 -11.091 4.609 393 HD3 ARG 47 HD3 ARG 47 8.616 -12.173 3.394 394 HE ARG 47 HE ARG 47 11.053 -13.221 3.938 395 HH11 ARG 47 HH11 ARG 47 8.284 -12.367 6.000 396 HH12 ARG 47 HH12 ARG 47 8.602 -13.552 7.159 397 HH21 ARG 47 HH21 ARG 47 11.500 -14.870 5.589 398 HH22 ARG 47 HH22 ARG 47 10.465 -14.981 6.935 399 H GLN 48 H GLN 48 8.358 -9.936 -0.709 400 HA GLN 48 HA GLN 48 7.365 -7.246 -1.094 401 HB2 GLN 48 HB2 GLN 48 8.060 -8.864 -2.966 402 HB3 GLN 48 HB3 GLN 48 6.653 -9.808 -2.526 403 HG2 GLN 48 HG2 GLN 48 5.273 -7.792 -2.948 404 HG3 GLN 48 HG3 GLN 48 6.721 -7.004 -3.515 405 HE21 GLN 48 HE21 GLN 48 4.419 -9.486 -4.230 406 HE22 GLN 48 HE22 GLN 48 4.854 -9.728 -5.877 407 H VAL 49 H VAL 49 5.644 -6.705 0.052 408 HA VAL 49 HA VAL 49 3.821 -8.807 0.941 409 HB VAL 49 HB VAL 49 3.592 -7.701 3.126 410 HG11 VAL 49 HG11 VAL 49 5.757 -8.328 4.121 411 HG12 VAL 49 HG12 VAL 49 6.446 -8.453 2.506 412 HG13 VAL 49 HG13 VAL 49 5.156 -9.550 3.001 413 HG21 VAL 49 HG21 VAL 49 4.212 -5.419 2.512 414 HG22 VAL 49 HG22 VAL 49 5.873 -5.929 2.226 415 HG23 VAL 49 HG23 VAL 49 5.207 -5.980 3.858 416 H CYS 50 H CYS 50 1.716 -8.007 1.440 417 HA CYS 50 HA CYS 50 1.074 -5.670 -0.136 418 HB2 CYS 50 HB2 CYS 50 -0.868 -7.555 1.246 419 HB3 CYS 50 HB3 CYS 50 -1.183 -6.337 0.057 420 H ILE 51 H ILE 51 -0.026 -3.950 0.760 421 HA ILE 51 HA ILE 51 0.284 -3.814 3.666 422 HB ILE 51 HB ILE 51 0.592 -1.539 1.696 423 HG12 ILE 51 HG12 ILE 51 2.506 -3.141 3.315 424 HG13 ILE 51 HG13 ILE 51 2.464 -2.968 1.582 425 HG21 ILE 51 HG21 ILE 51 -0.375 -0.780 3.810 426 HG22 ILE 51 HG22 ILE 51 1.294 -0.219 3.627 427 HG23 ILE 51 HG23 ILE 51 0.936 -1.593 4.672 428 HD11 ILE 51 HD11 ILE 51 3.089 -0.623 1.728 429 HD12 ILE 51 HD12 ILE 51 4.300 -1.632 2.515 430 HD13 ILE 51 HD13 ILE 51 3.137 -0.730 3.485 431 H ASP 52 H ASP 52 -1.245 -2.994 4.856 432 HA ASP 52 HA ASP 52 -3.891 -2.898 3.806 433 HB2 ASP 52 HB2 ASP 52 -3.517 -3.899 5.787 434 HB3 ASP 52 HB3 ASP 52 -2.693 -2.531 6.537 435 HA PRO 53 HA PRO 53 -3.604 1.427 2.871 436 HB2 PRO 53 HB2 PRO 53 -6.148 1.787 2.065 437 HB3 PRO 53 HB3 PRO 53 -4.952 0.929 1.090 438 HG2 PRO 53 HG2 PRO 53 -7.065 -0.192 2.897 439 HG3 PRO 53 HG3 PRO 53 -6.615 -0.715 1.260 440 HD2 PRO 53 HD2 PRO 53 -5.783 -1.985 3.481 441 HD3 PRO 53 HD3 PRO 53 -4.786 -1.878 2.013 442 H LYS 54 H LYS 54 -4.905 0.275 5.650 443 HA LYS 54 HA LYS 54 -6.193 2.844 6.327 444 HB2 LYS 54 HB2 LYS 54 -6.430 0.265 7.888 445 HB3 LYS 54 HB3 LYS 54 -7.411 1.740 7.949 446 HG2 LYS 54 HG2 LYS 54 -7.150 0.103 5.577 447 HG3 LYS 54 HG3 LYS 54 -8.424 -0.253 6.770 448 HD2 LYS 54 HD2 LYS 54 -7.966 2.367 5.398 449 HD3 LYS 54 HD3 LYS 54 -9.212 1.218 4.831 450 HE2 LYS 54 HE2 LYS 54 -10.244 1.483 7.118 451 HE3 LYS 54 HE3 LYS 54 -9.061 2.746 7.448 452 HZ1 LYS 54 HZ1 LYS 54 -11.102 2.777 5.304 453 HZ2 LYS 54 HZ2 LYS 54 -9.966 3.994 5.557 454 HZ3 LYS 54 HZ3 LYS 54 -11.142 3.671 6.728 455 H LEU 55 H LEU 55 -3.422 1.112 6.603 456 HA LEU 55 HA LEU 55 -2.510 1.499 9.206 457 HB2 LEU 55 HB2 LEU 55 -1.127 1.477 6.596 458 HB3 LEU 55 HB3 LEU 55 -0.193 1.836 8.002 459 HG LEU 55 HG LEU 55 -1.731 -0.752 7.534 460 HD11 LEU 55 HD11 LEU 55 1.233 -0.188 7.478 461 HD12 LEU 55 HD12 LEU 55 0.205 -0.435 6.065 462 HD13 LEU 55 HD13 LEU 55 0.447 -1.750 7.220 463 HD21 LEU 55 HD21 LEU 55 -1.494 -0.226 9.938 464 HD22 LEU 55 HD22 LEU 55 0.237 0.019 9.674 465 HD23 LEU 55 HD23 LEU 55 -0.435 -1.565 9.450 466 H LYS 56 H LYS 56 -1.483 3.102 10.271 467 HA LYS 56 HA LYS 56 -2.476 5.683 9.765 468 HB2 LYS 56 HB2 LYS 56 -2.022 4.870 12.032 469 HB3 LYS 56 HB3 LYS 56 -0.299 4.880 11.696 470 HG2 LYS 56 HG2 LYS 56 -0.343 7.295 11.413 471 HG3 LYS 56 HG3 LYS 56 -2.087 7.298 11.675 472 HD2 LYS 56 HD2 LYS 56 -1.728 6.380 13.926 473 HD3 LYS 56 HD3 LYS 56 0.011 6.442 13.660 474 HE2 LYS 56 HE2 LYS 56 -0.089 8.864 13.404 475 HE3 LYS 56 HE3 LYS 56 -1.841 8.824 13.589 476 HZ1 LYS 56 HZ1 LYS 56 0.104 7.981 15.672 477 HZ2 LYS 56 HZ2 LYS 56 -1.574 8.044 15.829 478 HZ3 LYS 56 HZ3 LYS 56 -0.697 9.467 15.623 479 H TRP 57 H TRP 57 0.770 4.344 9.376 480 HA TRP 57 HA TRP 57 1.788 6.851 8.482 481 HB2 TRP 57 HB2 TRP 57 3.827 5.688 7.830 482 HB3 TRP 57 HB3 TRP 57 3.296 5.120 9.398 483 HD1 TRP 57 HD1 TRP 57 2.520 2.530 9.553 484 HE1 TRP 57 HE1 TRP 57 2.947 0.564 8.016 485 HE3 TRP 57 HE3 TRP 57 3.988 5.082 5.415 486 HZ2 TRP 57 HZ2 TRP 57 3.795 0.121 5.355 487 HZ3 TRP 57 HZ3 TRP 57 4.605 3.822 3.407 488 HH2 TRP 57 HH2 TRP 57 4.506 1.389 3.370 489 H ILE 58 H ILE 58 0.102 4.299 6.966 490 HA ILE 58 HA ILE 58 0.624 5.103 4.284 491 HB ILE 58 HB ILE 58 -1.526 3.328 5.496 492 HG12 ILE 58 HG12 ILE 58 0.736 2.382 5.397 493 HG13 ILE 58 HG13 ILE 58 -0.348 1.506 4.349 494 HG21 ILE 58 HG21 ILE 58 -2.169 2.700 3.254 495 HG22 ILE 58 HG22 ILE 58 -1.097 3.949 2.608 496 HG23 ILE 58 HG23 ILE 58 -2.497 4.421 3.596 497 HD11 ILE 58 HD11 ILE 58 1.767 1.836 3.242 498 HD12 ILE 58 HD12 ILE 58 1.635 3.580 3.436 499 HD13 ILE 58 HD13 ILE 58 0.498 2.722 2.401 500 H GLN 59 H GLN 59 -1.763 5.889 6.720 501 HA GLN 59 HA GLN 59 -3.315 7.551 5.044 502 HB2 GLN 59 HB2 GLN 59 -2.972 7.678 8.051 503 HB3 GLN 59 HB3 GLN 59 -4.186 8.566 7.141 504 HG2 GLN 59 HG2 GLN 59 -3.968 5.570 7.382 505 HG3 GLN 59 HG3 GLN 59 -5.166 6.600 8.162 506 HE21 GLN 59 HE21 GLN 59 -4.134 5.170 5.200 507 HE22 GLN 59 HE22 GLN 59 -5.553 5.456 4.279 508 H GLU 60 H GLU 60 -0.419 8.073 6.913 509 HA GLU 60 HA GLU 60 -0.161 10.870 6.530 510 HB2 GLU 60 HB2 GLU 60 2.024 8.772 6.693 511 HB3 GLU 60 HB3 GLU 60 2.256 10.500 6.894 512 HG2 GLU 60 HG2 GLU 60 0.622 8.727 8.692 513 HG3 GLU 60 HG3 GLU 60 2.246 9.324 9.032 514 H TYR 61 H TYR 61 1.009 8.095 4.733 515 HA TYR 61 HA TYR 61 2.305 9.241 2.568 516 HB2 TYR 61 HB2 TYR 61 2.362 6.790 3.040 517 HB3 TYR 61 HB3 TYR 61 0.672 6.711 2.763 518 HD1 TYR 61 HD1 TYR 61 3.674 7.869 0.833 519 HD2 TYR 61 HD2 TYR 61 -0.042 5.818 0.855 520 HE1 TYR 61 HE1 TYR 61 3.981 7.286 -1.545 521 HE2 TYR 61 HE2 TYR 61 0.206 5.244 -1.467 522 HH TYR 61 HH TYR 61 3.184 5.581 -3.125 523 H LEU 62 H LEU 62 -1.045 8.212 2.807 524 HA LEU 62 HA LEU 62 -1.667 9.193 0.260 525 HB2 LEU 62 HB2 LEU 62 -3.283 7.992 2.420 526 HB3 LEU 62 HB3 LEU 62 -3.998 8.565 0.908 527 HG LEU 62 HG LEU 62 -1.643 6.742 0.876 528 HD11 LEU 62 HD11 LEU 62 -3.094 4.940 0.555 529 HD12 LEU 62 HD12 LEU 62 -4.517 5.982 0.952 530 HD13 LEU 62 HD13 LEU 62 -3.205 5.673 2.153 531 HD21 LEU 62 HD21 LEU 62 -2.164 7.880 -1.193 532 HD22 LEU 62 HD22 LEU 62 -3.836 7.320 -1.082 533 HD23 LEU 62 HD23 LEU 62 -2.534 6.160 -1.319 534 H GLU 63 H GLU 63 -2.090 10.554 3.487 535 HA GLU 63 HA GLU 63 -3.707 12.721 2.815 536 HB2 GLU 63 HB2 GLU 63 -2.848 12.052 5.102 537 HB3 GLU 63 HB3 GLU 63 -1.287 12.684 4.645 538 HG2 GLU 63 HG2 GLU 63 -3.821 14.276 4.908 539 HG3 GLU 63 HG3 GLU 63 -2.567 14.124 6.135 540 H LYS 64 H LYS 64 -0.231 12.275 2.734 541 HA LYS 64 HA LYS 64 0.672 14.661 1.674 542 HB2 LYS 64 HB2 LYS 64 2.118 12.944 2.553 543 HB3 LYS 64 HB3 LYS 64 1.634 11.853 1.279 544 HG2 LYS 64 HG2 LYS 64 3.688 12.605 0.652 545 HG3 LYS 64 HG3 LYS 64 2.547 13.409 -0.352 546 HD2 LYS 64 HD2 LYS 64 4.212 15.068 0.385 547 HD3 LYS 64 HD3 LYS 64 2.596 15.471 0.962 548 HE2 LYS 64 HE2 LYS 64 3.214 14.463 3.166 549 HE3 LYS 64 HE3 LYS 64 4.842 14.204 2.539 550 HZ1 LYS 64 HZ1 LYS 64 4.771 16.212 3.810 551 HZ2 LYS 64 HZ2 LYS 64 3.485 16.818 2.917 552 HZ3 LYS 64 HZ3 LYS 64 5.004 16.621 2.209 553 H ALA 65 H ALA 65 0.372 11.693 -0.124 554 HA ALA 65 HA ALA 65 0.527 12.666 -2.719 555 HB1 ALA 65 HB1 ALA 65 -0.447 10.608 -3.490 556 HB2 ALA 65 HB2 ALA 65 -1.123 10.304 -1.898 557 HB3 ALA 65 HB3 ALA 65 0.634 10.272 -2.129 558 H LEU 66 H LEU 66 -2.425 12.522 -0.734 559 HA LEU 66 HA LEU 66 -4.043 13.251 -2.975 560 HB2 LEU 66 HB2 LEU 66 -4.659 13.039 -0.046 561 HB3 LEU 66 HB3 LEU 66 -5.878 13.472 -1.236 562 HG LEU 66 HG LEU 66 -4.371 10.860 -1.059 563 HD11 LEU 66 HD11 LEU 66 -7.245 11.534 -0.470 564 HD12 LEU 66 HD12 LEU 66 -6.003 11.136 0.717 565 HD13 LEU 66 HD13 LEU 66 -6.534 9.918 -0.443 566 HD21 LEU 66 HD21 LEU 66 -6.581 11.706 -2.935 567 HD22 LEU 66 HD22 LEU 66 -5.909 10.081 -2.804 568 HD23 LEU 66 HD23 LEU 66 -4.899 11.402 -3.380 569 H ASN 67 H ASN 67 -2.323 14.877 -0.507 570 HA ASN 67 HA ASN 67 -3.665 17.438 -0.742 571 HB2 ASN 67 HB2 ASN 67 -2.618 16.492 1.354 572 HB3 ASN 67 HB3 ASN 67 -1.056 16.664 0.595 573 HD21 ASN 67 HD21 ASN 67 -2.174 17.704 3.025 574 HD22 ASN 67 HD22 ASN 67 -1.979 19.424 2.986 575 H LYS 68 H LYS 68 -1.068 15.718 -2.142 576 HA LYS 68 HA LYS 68 0.605 17.697 -3.164 577 HB2 LYS 68 HB2 LYS 68 1.190 15.331 -3.067 578 HB3 LYS 68 HB3 LYS 68 -0.035 14.970 -4.267 579 HG2 LYS 68 HG2 LYS 68 1.181 16.227 -5.938 580 HG3 LYS 68 HG3 LYS 68 2.386 16.708 -4.741 581 HD2 LYS 68 HD2 LYS 68 2.949 14.383 -4.377 582 HD3 LYS 68 HD3 LYS 68 1.766 13.884 -5.590 583 HE2 LYS 68 HE2 LYS 68 4.198 15.612 -6.084 584 HE3 LYS 68 HE3 LYS 68 4.051 13.911 -6.512 585 HZ1 LYS 68 HZ1 LYS 68 2.399 16.126 -7.638 586 HZ2 LYS 68 HZ2 LYS 68 2.271 14.492 -8.045 587 HZ3 LYS 68 HZ3 LYS 68 3.666 15.323 -8.406 Start of MODEL 13 1 H LYS 1 H LYS 1 3.003 -20.653 0.142 2 HA LYS 1 HA LYS 1 3.494 -19.367 -1.834 3 HB2 LYS 1 HB2 LYS 1 3.732 -22.392 -2.132 4 HB3 LYS 1 HB3 LYS 1 4.585 -21.241 -3.158 5 HG2 LYS 1 HG2 LYS 1 5.744 -20.489 -1.202 6 HG3 LYS 1 HG3 LYS 1 4.826 -21.645 -0.226 7 HD2 LYS 1 HD2 LYS 1 5.634 -23.464 -1.657 8 HD3 LYS 1 HD3 LYS 1 6.601 -22.301 -2.561 9 HE2 LYS 1 HE2 LYS 1 6.721 -22.793 0.319 10 HE3 LYS 1 HE3 LYS 1 7.825 -23.568 -0.846 11 HZ1 LYS 1 HZ1 LYS 1 7.634 -20.620 -0.236 12 HZ2 LYS 1 HZ2 LYS 1 8.569 -21.283 -1.457 13 HZ3 LYS 1 HZ3 LYS 1 8.933 -21.632 0.125 14 HA PRO 2 HA PRO 2 0.183 -19.275 -4.815 15 HB2 PRO 2 HB2 PRO 2 1.380 -17.798 -6.719 16 HB3 PRO 2 HB3 PRO 2 0.893 -17.096 -5.170 17 HG2 PRO 2 HG2 PRO 2 3.597 -18.058 -6.043 18 HG3 PRO 2 HG3 PRO 2 3.169 -16.551 -5.217 19 HD2 PRO 2 HD2 PRO 2 4.157 -18.688 -3.892 20 HD3 PRO 2 HD3 PRO 2 2.972 -17.584 -3.167 21 H VAL 3 H VAL 3 2.455 -21.385 -4.932 22 HA VAL 3 HA VAL 3 2.925 -22.005 -7.670 23 HB VAL 3 HB VAL 3 4.426 -22.705 -5.823 24 HG11 VAL 3 HG11 VAL 3 2.230 -24.597 -5.035 25 HG12 VAL 3 HG12 VAL 3 2.820 -23.214 -4.115 26 HG13 VAL 3 HG13 VAL 3 3.870 -24.606 -4.386 27 HG21 VAL 3 HG21 VAL 3 4.876 -25.002 -6.574 28 HG22 VAL 3 HG22 VAL 3 4.550 -23.920 -7.929 29 HG23 VAL 3 HG23 VAL 3 3.301 -25.031 -7.374 30 H SER 4 H SER 4 0.332 -22.505 -5.537 31 HA SER 4 HA SER 4 -1.138 -23.975 -7.545 32 HB2 SER 4 HB2 SER 4 -0.927 -24.823 -4.637 33 HB3 SER 4 HB3 SER 4 -1.982 -25.562 -5.839 34 HG SER 4 HG SER 4 0.365 -25.533 -6.904 35 H LEU 5 H LEU 5 -3.533 -23.978 -6.779 36 HA LEU 5 HA LEU 5 -5.378 -22.833 -6.322 37 HB2 LEU 5 HB2 LEU 5 -3.726 -21.645 -4.086 38 HB3 LEU 5 HB3 LEU 5 -5.403 -21.222 -4.337 39 HG LEU 5 HG LEU 5 -5.236 -22.797 -2.545 40 HD11 LEU 5 HD11 LEU 5 -6.374 -24.127 -4.977 41 HD12 LEU 5 HD12 LEU 5 -7.186 -22.976 -3.917 42 HD13 LEU 5 HD13 LEU 5 -6.714 -24.560 -3.302 43 HD21 LEU 5 HD21 LEU 5 -3.124 -23.883 -3.092 44 HD22 LEU 5 HD22 LEU 5 -3.872 -24.671 -4.478 45 HD23 LEU 5 HD23 LEU 5 -4.389 -25.090 -2.845 46 H SER 6 H SER 6 -6.049 -21.643 -7.846 47 HA SER 6 HA SER 6 -4.591 -19.490 -8.908 48 HB2 SER 6 HB2 SER 6 -6.712 -19.245 -10.283 49 HB3 SER 6 HB3 SER 6 -5.858 -20.781 -10.422 50 HG SER 6 HG SER 6 -8.352 -20.383 -9.764 51 H TYR 7 H TYR 7 -4.423 -17.652 -7.896 52 HA TYR 7 HA TYR 7 -6.626 -16.653 -6.326 53 HB2 TYR 7 HB2 TYR 7 -5.030 -14.873 -5.589 54 HB3 TYR 7 HB3 TYR 7 -4.491 -16.503 -5.217 55 HD1 TYR 7 HD1 TYR 7 -2.615 -17.481 -6.446 56 HD2 TYR 7 HD2 TYR 7 -3.833 -13.475 -7.123 57 HE1 TYR 7 HE1 TYR 7 -0.506 -17.046 -7.564 58 HE2 TYR 7 HE2 TYR 7 -1.735 -13.005 -8.243 59 HH TYR 7 HH TYR 7 0.528 -13.888 -8.267 60 H ARG 8 H ARG 8 -7.915 -15.045 -6.958 61 HA ARG 8 HA ARG 8 -7.500 -14.031 -9.651 62 HB2 ARG 8 HB2 ARG 8 -9.756 -13.195 -9.520 63 HB3 ARG 8 HB3 ARG 8 -9.737 -14.877 -9.010 64 HG2 ARG 8 HG2 ARG 8 -9.857 -14.165 -6.677 65 HG3 ARG 8 HG3 ARG 8 -9.828 -12.479 -7.200 66 HD2 ARG 8 HD2 ARG 8 -11.952 -14.518 -7.850 67 HD3 ARG 8 HD3 ARG 8 -12.095 -13.181 -6.710 68 HE ARG 8 HE ARG 8 -11.379 -12.198 -9.256 69 HH11 ARG 8 HH11 ARG 8 -14.170 -13.496 -7.517 70 HH12 ARG 8 HH12 ARG 8 -15.313 -12.736 -8.514 71 HH21 ARG 8 HH21 ARG 8 -12.884 -11.191 -10.599 72 HH22 ARG 8 HH22 ARG 8 -14.571 -11.390 -10.358 73 H CYS 9 H CYS 9 -7.095 -13.089 -6.397 74 HA CYS 9 HA CYS 9 -6.943 -10.296 -7.194 75 HB2 CYS 9 HB2 CYS 9 -7.325 -11.505 -4.457 76 HB3 CYS 9 HB3 CYS 9 -7.227 -9.787 -4.803 77 HA PRO 10 HA PRO 10 -2.507 -10.533 -6.756 78 HB2 PRO 10 HB2 PRO 10 -2.856 -7.673 -5.901 79 HB3 PRO 10 HB3 PRO 10 -1.807 -8.369 -7.145 80 HG2 PRO 10 HG2 PRO 10 -3.999 -7.093 -7.835 81 HG3 PRO 10 HG3 PRO 10 -3.556 -8.605 -8.656 82 HD2 PRO 10 HD2 PRO 10 -5.609 -8.141 -6.520 83 HD3 PRO 10 HD3 PRO 10 -5.697 -9.121 -8.002 84 H CYS 11 H CYS 11 -4.233 -8.768 -4.144 85 HA CYS 11 HA CYS 11 -2.481 -10.127 -2.248 86 HB2 CYS 11 HB2 CYS 11 -3.178 -7.215 -2.280 87 HB3 CYS 11 HB3 CYS 11 -2.589 -8.032 -0.839 88 H ARG 12 H ARG 12 -3.527 -11.254 -0.913 89 HA ARG 12 HA ARG 12 -6.225 -10.457 -0.062 90 HB2 ARG 12 HB2 ARG 12 -4.900 -13.163 -0.086 91 HB3 ARG 12 HB3 ARG 12 -6.470 -12.863 0.627 92 HG2 ARG 12 HG2 ARG 12 -5.775 -12.504 -2.293 93 HG3 ARG 12 HG3 ARG 12 -6.601 -13.899 -1.609 94 HD2 ARG 12 HD2 ARG 12 -8.236 -12.422 -2.621 95 HD3 ARG 12 HD3 ARG 12 -8.443 -12.392 -0.878 96 HE ARG 12 HE ARG 12 -6.731 -10.297 -1.770 97 HH11 ARG 12 HH11 ARG 12 -10.122 -11.167 -1.500 98 HH12 ARG 12 HH12 ARG 12 -10.686 -9.557 -1.471 99 HH21 ARG 12 HH21 ARG 12 -7.432 -8.137 -1.726 100 HH22 ARG 12 HH22 ARG 12 -9.083 -7.746 -1.605 101 H PHE 13 H PHE 13 -3.036 -11.441 0.989 102 HA PHE 13 HA PHE 13 -3.786 -10.871 3.753 103 HB2 PHE 13 HB2 PHE 13 -1.599 -11.871 4.370 104 HB3 PHE 13 HB3 PHE 13 -2.569 -12.990 3.431 105 HD1 PHE 13 HD1 PHE 13 -1.881 -13.625 1.179 106 HD2 PHE 13 HD2 PHE 13 0.461 -10.935 3.502 107 HE1 PHE 13 HE1 PHE 13 0.017 -13.954 -0.353 108 HE2 PHE 13 HE2 PHE 13 2.354 -11.252 1.971 109 HZ PHE 13 HZ PHE 13 2.138 -12.764 0.039 110 H PHE 14 H PHE 14 -2.894 -9.159 4.850 111 HA PHE 14 HA PHE 14 -0.997 -7.391 3.407 112 HB2 PHE 14 HB2 PHE 14 -3.462 -6.551 4.876 113 HB3 PHE 14 HB3 PHE 14 -2.309 -5.441 4.143 114 HD1 PHE 14 HD1 PHE 14 -2.314 -5.204 1.678 115 HD2 PHE 14 HD2 PHE 14 -5.167 -7.621 3.692 116 HE1 PHE 14 HE1 PHE 14 -3.710 -5.198 -0.313 117 HE2 PHE 14 HE2 PHE 14 -6.585 -7.625 1.695 118 HZ PHE 14 HZ PHE 14 -5.867 -6.413 -0.323 119 H GLU 15 H GLU 15 0.454 -6.446 4.711 120 HA GLU 15 HA GLU 15 0.624 -7.457 7.401 121 HB2 GLU 15 HB2 GLU 15 2.380 -5.587 5.818 122 HB3 GLU 15 HB3 GLU 15 2.762 -6.149 7.438 123 HG2 GLU 15 HG2 GLU 15 2.391 -7.858 5.026 124 HG3 GLU 15 HG3 GLU 15 3.955 -7.338 5.662 125 H SER 16 H SER 16 0.315 -6.312 9.196 126 HA SER 16 HA SER 16 -0.850 -3.637 8.849 127 HB2 SER 16 HB2 SER 16 -2.457 -5.428 9.513 128 HB3 SER 16 HB3 SER 16 -1.514 -5.693 10.971 129 HG SER 16 HG SER 16 -3.379 -3.852 10.412 130 H HIS 17 H HIS 17 1.866 -5.072 9.785 131 HA HIS 17 HA HIS 17 2.366 -3.305 12.101 132 HB2 HIS 17 HB2 HIS 17 2.384 -5.802 12.522 133 HB3 HIS 17 HB3 HIS 17 3.688 -5.938 11.365 134 HD1 HIS 17 HD1 HIS 17 2.933 -4.887 14.872 135 HD2 HIS 17 HD2 HIS 17 6.222 -5.240 12.367 136 HE1 HIS 17 HE1 HIS 17 4.936 -4.718 16.364 137 HE2 HIS 17 HE2 HIS 17 6.909 -4.755 14.798 138 H VAL 18 H VAL 18 2.597 -2.930 9.114 139 HA VAL 18 HA VAL 18 5.282 -3.134 8.313 140 HB VAL 18 HB VAL 18 3.249 -1.248 7.120 141 HG11 VAL 18 HG11 VAL 18 4.561 -1.504 5.061 142 HG12 VAL 18 HG12 VAL 18 5.704 -2.524 5.929 143 HG13 VAL 18 HG13 VAL 18 5.528 -0.827 6.377 144 HG21 VAL 18 HG21 VAL 18 2.353 -3.507 7.205 145 HG22 VAL 18 HG22 VAL 18 3.801 -4.122 6.415 146 HG23 VAL 18 HG23 VAL 18 2.725 -3.034 5.548 147 H ALA 19 H ALA 19 6.958 -1.721 8.359 148 HA ALA 19 HA ALA 19 6.557 0.929 9.567 149 HB1 ALA 19 HB1 ALA 19 8.980 0.819 10.070 150 HB2 ALA 19 HB2 ALA 19 9.043 -0.791 9.356 151 HB3 ALA 19 HB3 ALA 19 8.103 -0.516 10.821 152 H ARG 20 H ARG 20 7.002 2.668 8.263 153 HA ARG 20 HA ARG 20 7.233 2.221 5.467 154 HB2 ARG 20 HB2 ARG 20 6.007 4.139 6.322 155 HB3 ARG 20 HB3 ARG 20 7.492 4.813 6.984 156 HG2 ARG 20 HG2 ARG 20 8.410 5.074 4.763 157 HG3 ARG 20 HG3 ARG 20 6.996 4.299 4.060 158 HD2 ARG 20 HD2 ARG 20 5.597 6.049 4.816 159 HD3 ARG 20 HD3 ARG 20 6.939 6.881 5.630 160 HE ARG 20 HE ARG 20 7.326 6.364 2.837 161 HH11 ARG 20 HH11 ARG 20 5.976 8.693 5.145 162 HH12 ARG 20 HH12 ARG 20 6.126 10.028 4.092 163 HH21 ARG 20 HH21 ARG 20 7.474 8.234 1.370 164 HH22 ARG 20 HH22 ARG 20 6.975 9.765 1.946 165 H ALA 21 H ALA 21 9.528 3.143 7.918 166 HA ALA 21 HA ALA 21 11.621 3.869 6.135 167 HB1 ALA 21 HB1 ALA 21 11.573 4.583 8.487 168 HB2 ALA 21 HB2 ALA 21 13.078 3.753 8.090 169 HB3 ALA 21 HB3 ALA 21 11.819 2.908 8.991 170 H ASN 22 H ASN 22 10.232 0.920 6.833 171 HA ASN 22 HA ASN 22 12.645 -0.628 6.290 172 HB2 ASN 22 HB2 ASN 22 11.135 -1.291 8.178 173 HB3 ASN 22 HB3 ASN 22 9.857 -1.566 7.007 174 HD21 ASN 22 HD21 ASN 22 9.669 -3.700 7.568 175 HD22 ASN 22 HD22 ASN 22 10.824 -4.893 7.148 176 H VAL 23 H VAL 23 9.978 0.768 4.661 177 HA VAL 23 HA VAL 23 9.830 -1.267 2.622 178 HB VAL 23 HB VAL 23 8.431 1.421 2.864 179 HG11 VAL 23 HG11 VAL 23 6.967 0.585 1.063 180 HG12 VAL 23 HG12 VAL 23 8.079 -0.789 0.864 181 HG13 VAL 23 HG13 VAL 23 8.635 0.845 0.553 182 HG21 VAL 23 HG21 VAL 23 6.450 0.077 3.379 183 HG22 VAL 23 HG22 VAL 23 7.733 -0.182 4.560 184 HG23 VAL 23 HG23 VAL 23 7.428 -1.389 3.311 185 H LYS 24 H LYS 24 11.027 -1.291 0.880 186 HA LYS 24 HA LYS 24 12.898 0.871 0.257 187 HB2 LYS 24 HB2 LYS 24 13.768 -0.564 -1.435 188 HB3 LYS 24 HB3 LYS 24 13.616 -1.477 0.053 189 HG2 LYS 24 HG2 LYS 24 11.923 -2.809 -0.755 190 HG3 LYS 24 HG3 LYS 24 11.388 -1.605 -1.921 191 HD2 LYS 24 HD2 LYS 24 13.908 -3.293 -2.146 192 HD3 LYS 24 HD3 LYS 24 12.371 -3.494 -3.025 193 HE2 LYS 24 HE2 LYS 24 12.596 -1.297 -3.986 194 HE3 LYS 24 HE3 LYS 24 14.084 -1.021 -3.188 195 HZ1 LYS 24 HZ1 LYS 24 14.461 -1.689 -5.425 196 HZ2 LYS 24 HZ2 LYS 24 13.668 -3.163 -5.197 197 HZ3 LYS 24 HZ3 LYS 24 15.116 -2.841 -4.377 198 H HIS 25 H HIS 25 9.939 -0.398 -0.902 199 HA HIS 25 HA HIS 25 9.668 1.698 -2.856 200 HB2 HIS 25 HB2 HIS 25 11.103 0.184 -4.037 201 HB3 HIS 25 HB3 HIS 25 10.095 -1.182 -3.625 202 HD1 HIS 25 HD1 HIS 25 8.951 2.125 -5.238 203 HD2 HIS 25 HD2 HIS 25 9.324 -1.925 -5.963 204 HE1 HIS 25 HE1 HIS 25 7.791 1.782 -7.391 205 HE2 HIS 25 HE2 HIS 25 7.787 -0.711 -7.729 206 H LEU 26 H LEU 26 7.672 2.310 -2.524 207 HA LEU 26 HA LEU 26 5.617 0.412 -1.672 208 HB2 LEU 26 HB2 LEU 26 6.151 2.479 -0.352 209 HB3 LEU 26 HB3 LEU 26 5.684 3.434 -1.736 210 HG LEU 26 HG LEU 26 3.366 2.585 -1.503 211 HD11 LEU 26 HD11 LEU 26 4.454 1.352 1.012 212 HD12 LEU 26 HD12 LEU 26 3.854 0.466 -0.401 213 HD13 LEU 26 HD13 LEU 26 2.755 1.452 0.570 214 HD21 LEU 26 HD21 LEU 26 4.542 3.856 0.959 215 HD22 LEU 26 HD22 LEU 26 2.842 3.871 0.499 216 HD23 LEU 26 HD23 LEU 26 4.033 4.700 -0.502 217 H LYS 27 H LYS 27 3.985 -0.120 -3.141 218 HA LYS 27 HA LYS 27 3.447 1.669 -5.394 219 HB2 LYS 27 HB2 LYS 27 5.255 -0.290 -5.810 220 HB3 LYS 27 HB3 LYS 27 3.848 -1.252 -5.900 221 HG2 LYS 27 HG2 LYS 27 4.248 1.150 -7.678 222 HG3 LYS 27 HG3 LYS 27 4.697 -0.492 -8.116 223 HD2 LYS 27 HD2 LYS 27 1.899 0.431 -7.429 224 HD3 LYS 27 HD3 LYS 27 2.523 0.214 -9.067 225 HE2 LYS 27 HE2 LYS 27 2.953 -2.158 -8.549 226 HE3 LYS 27 HE3 LYS 27 2.251 -1.912 -6.954 227 HZ1 LYS 27 HZ1 LYS 27 0.680 -2.874 -8.513 228 HZ2 LYS 27 HZ2 LYS 27 0.849 -1.562 -9.535 229 HZ3 LYS 27 HZ3 LYS 27 0.133 -1.316 -8.056 230 H ILE 28 H ILE 28 1.273 1.870 -5.244 231 HA ILE 28 HA ILE 28 -0.212 -0.308 -3.997 232 HB ILE 28 HB ILE 28 -1.273 2.486 -4.586 233 HG12 ILE 28 HG12 ILE 28 -0.190 1.287 -2.047 234 HG13 ILE 28 HG13 ILE 28 0.597 2.556 -2.981 235 HG21 ILE 28 HG21 ILE 28 -3.018 0.763 -4.352 236 HG22 ILE 28 HG22 ILE 28 -3.012 1.857 -2.960 237 HG23 ILE 28 HG23 ILE 28 -2.295 0.256 -2.823 238 HD11 ILE 28 HD11 ILE 28 -0.480 3.432 -0.991 239 HD12 ILE 28 HD12 ILE 28 -2.018 2.744 -1.488 240 HD13 ILE 28 HD13 ILE 28 -1.301 4.052 -2.432 241 H LEU 29 H LEU 29 -1.813 -1.473 -4.943 242 HA LEU 29 HA LEU 29 -2.292 -1.076 -7.805 243 HB2 LEU 29 HB2 LEU 29 -0.944 -3.052 -7.296 244 HB3 LEU 29 HB3 LEU 29 -2.122 -3.572 -6.119 245 HG LEU 29 HG LEU 29 -3.697 -4.143 -7.866 246 HD11 LEU 29 HD11 LEU 29 -3.136 -2.350 -9.460 247 HD12 LEU 29 HD12 LEU 29 -3.071 -3.935 -10.237 248 HD13 LEU 29 HD13 LEU 29 -1.580 -3.117 -9.775 249 HD21 LEU 29 HD21 LEU 29 -0.928 -5.131 -8.478 250 HD22 LEU 29 HD22 LEU 29 -2.434 -5.905 -8.962 251 HD23 LEU 29 HD23 LEU 29 -2.017 -5.780 -7.252 252 H ASN 30 H ASN 30 -4.388 -0.467 -8.195 253 HA ASN 30 HA ASN 30 -6.391 -1.195 -6.188 254 HB2 ASN 30 HB2 ASN 30 -7.820 0.615 -7.112 255 HB3 ASN 30 HB3 ASN 30 -6.280 1.221 -6.540 256 HD21 ASN 30 HD21 ASN 30 -4.799 2.052 -8.047 257 HD22 ASN 30 HD22 ASN 30 -5.252 2.423 -9.664 258 H THR 31 H THR 31 -7.788 -2.752 -6.601 259 HA THR 31 HA THR 31 -8.316 -3.399 -9.413 260 HB THR 31 HB THR 31 -8.100 -5.287 -7.065 261 HG1 THR 31 HG1 THR 31 -6.311 -4.553 -9.127 262 HG21 THR 31 HG21 THR 31 -8.228 -7.081 -8.758 263 HG22 THR 31 HG22 THR 31 -8.437 -5.862 -10.017 264 HG23 THR 31 HG23 THR 31 -9.677 -6.070 -8.785 265 HA PRO 32 HA PRO 32 -12.718 -2.473 -9.116 266 HB2 PRO 32 HB2 PRO 32 -12.430 -5.332 -9.819 267 HB3 PRO 32 HB3 PRO 32 -13.767 -4.353 -10.344 268 HG2 PRO 32 HG2 PRO 32 -11.706 -4.583 -11.940 269 HG3 PRO 32 HG3 PRO 32 -12.230 -2.920 -11.602 270 HD2 PRO 32 HD2 PRO 32 -9.784 -4.318 -10.705 271 HD3 PRO 32 HD3 PRO 32 -10.103 -2.575 -10.794 272 H ASN 33 H ASN 33 -12.122 -5.790 -8.071 273 HA ASN 33 HA ASN 33 -14.114 -5.460 -5.957 274 HB2 ASN 33 HB2 ASN 33 -14.926 -7.678 -6.604 275 HB3 ASN 33 HB3 ASN 33 -15.065 -6.505 -7.908 276 HD21 ASN 33 HD21 ASN 33 -15.124 -9.138 -8.288 277 HD22 ASN 33 HD22 ASN 33 -13.756 -9.702 -9.195 278 H CYS 34 H CYS 34 -11.005 -5.997 -6.544 279 HA CYS 34 HA CYS 34 -10.722 -7.823 -4.280 280 HB2 CYS 34 HB2 CYS 34 -8.707 -6.944 -6.345 281 HB3 CYS 34 HB3 CYS 34 -8.341 -8.010 -4.996 282 H ALA 35 H ALA 35 -11.011 -4.717 -5.063 283 HA ALA 35 HA ALA 35 -10.914 -2.827 -3.942 284 HB1 ALA 35 HB1 ALA 35 -9.789 -4.465 -1.722 285 HB2 ALA 35 HB2 ALA 35 -11.506 -4.210 -2.057 286 HB3 ALA 35 HB3 ALA 35 -10.493 -2.836 -1.561 287 H LEU 36 H LEU 36 -9.040 -1.692 -2.151 288 HA LEU 36 HA LEU 36 -6.995 -1.127 -3.951 289 HB2 LEU 36 HB2 LEU 36 -8.297 0.549 -2.754 290 HB3 LEU 36 HB3 LEU 36 -7.838 -0.173 -1.227 291 HG LEU 36 HG LEU 36 -5.624 0.267 -1.689 292 HD11 LEU 36 HD11 LEU 36 -6.717 1.847 -4.062 293 HD12 LEU 36 HD12 LEU 36 -5.613 0.474 -4.138 294 HD13 LEU 36 HD13 LEU 36 -5.056 2.015 -3.492 295 HD21 LEU 36 HD21 LEU 36 -5.697 2.740 -1.244 296 HD22 LEU 36 HD22 LEU 36 -6.816 1.784 -0.274 297 HD23 LEU 36 HD23 LEU 36 -7.407 2.695 -1.664 298 H GLN 37 H GLN 37 -5.112 -2.222 -3.850 299 HA GLN 37 HA GLN 37 -4.407 -3.680 -1.403 300 HB2 GLN 37 HB2 GLN 37 -4.037 -4.396 -4.310 301 HB3 GLN 37 HB3 GLN 37 -3.466 -5.352 -2.946 302 HG2 GLN 37 HG2 GLN 37 -5.615 -5.948 -2.308 303 HG3 GLN 37 HG3 GLN 37 -6.360 -4.643 -3.229 304 HE21 GLN 37 HE21 GLN 37 -6.579 -4.856 -5.360 305 HE22 GLN 37 HE22 GLN 37 -6.498 -6.345 -6.217 306 H ILE 38 H ILE 38 -2.433 -3.050 -0.649 307 HA ILE 38 HA ILE 38 -0.820 -1.335 -2.382 308 HB ILE 38 HB ILE 38 -0.728 -1.849 0.558 309 HG12 ILE 38 HG12 ILE 38 -1.732 0.600 -0.894 310 HG13 ILE 38 HG13 ILE 38 -2.745 -0.654 -0.195 311 HG21 ILE 38 HG21 ILE 38 1.471 -1.220 -0.161 312 HG22 ILE 38 HG22 ILE 38 0.776 0.219 0.599 313 HG23 ILE 38 HG23 ILE 38 0.863 0.084 -1.151 314 HD11 ILE 38 HD11 ILE 38 -1.937 -0.108 2.008 315 HD12 ILE 38 HD12 ILE 38 -2.570 1.340 1.182 316 HD13 ILE 38 HD13 ILE 38 -0.831 1.085 1.308 317 H VAL 39 H VAL 39 1.297 -1.942 -2.946 318 HA VAL 39 HA VAL 39 2.267 -4.516 -1.918 319 HB VAL 39 HB VAL 39 2.731 -3.232 -4.630 320 HG11 VAL 39 HG11 VAL 39 4.669 -4.436 -3.973 321 HG12 VAL 39 HG12 VAL 39 3.846 -5.329 -5.248 322 HG13 VAL 39 HG13 VAL 39 3.712 -5.876 -3.575 323 HG21 VAL 39 HG21 VAL 39 1.453 -5.121 -5.562 324 HG22 VAL 39 HG22 VAL 39 0.475 -4.123 -4.483 325 HG23 VAL 39 HG23 VAL 39 1.098 -5.675 -3.924 326 H ALA 40 H ALA 40 4.164 -4.383 -0.883 327 HA ALA 40 HA ALA 40 5.989 -2.229 -1.595 328 HB1 ALA 40 HB1 ALA 40 6.326 -1.609 0.725 329 HB2 ALA 40 HB2 ALA 40 5.108 -2.779 1.213 330 HB3 ALA 40 HB3 ALA 40 4.644 -1.380 0.249 331 H ARG 41 H ARG 41 8.051 -2.900 -1.619 332 HA ARG 41 HA ARG 41 8.571 -5.369 -0.261 333 HB2 ARG 41 HB2 ARG 41 9.584 -4.219 -2.698 334 HB3 ARG 41 HB3 ARG 41 10.870 -4.841 -1.685 335 HG2 ARG 41 HG2 ARG 41 9.758 -6.930 -1.485 336 HG3 ARG 41 HG3 ARG 41 8.384 -6.400 -2.403 337 HD2 ARG 41 HD2 ARG 41 11.197 -6.762 -3.303 338 HD3 ARG 41 HD3 ARG 41 9.727 -7.756 -3.610 339 HE ARG 41 HE ARG 41 9.253 -5.183 -4.537 340 HH11 ARG 41 HH11 ARG 41 11.316 -7.969 -5.390 341 HH12 ARG 41 HH12 ARG 41 11.239 -7.683 -7.046 342 HH21 ARG 41 HH21 ARG 41 9.169 -4.810 -6.883 343 HH22 ARG 41 HH22 ARG 41 10.011 -5.847 -7.915 344 H LEU 42 H LEU 42 10.177 -5.687 1.051 345 HA LEU 42 HA LEU 42 10.749 -3.405 2.730 346 HB2 LEU 42 HB2 LEU 42 11.567 -6.270 3.078 347 HB3 LEU 42 HB3 LEU 42 11.542 -5.005 4.279 348 HG LEU 42 HG LEU 42 9.089 -6.158 2.965 349 HD11 LEU 42 HD11 LEU 42 10.209 -6.560 5.718 350 HD12 LEU 42 HD12 LEU 42 10.138 -7.754 4.413 351 HD13 LEU 42 HD13 LEU 42 8.649 -7.150 5.139 352 HD21 LEU 42 HD21 LEU 42 9.370 -4.174 5.229 353 HD22 LEU 42 HD22 LEU 42 7.856 -4.881 4.661 354 HD23 LEU 42 HD23 LEU 42 8.783 -3.819 3.604 355 H LYS 43 H LYS 43 12.825 -2.908 3.439 356 HA LYS 43 HA LYS 43 14.875 -2.982 1.419 357 HB2 LYS 43 HB2 LYS 43 14.865 -1.886 4.221 358 HB3 LYS 43 HB3 LYS 43 16.114 -1.615 3.014 359 HG2 LYS 43 HG2 LYS 43 14.586 -0.375 1.639 360 HG3 LYS 43 HG3 LYS 43 13.242 -0.780 2.704 361 HD2 LYS 43 HD2 LYS 43 14.035 1.492 3.120 362 HD3 LYS 43 HD3 LYS 43 14.297 0.462 4.520 363 HE2 LYS 43 HE2 LYS 43 16.642 0.165 3.839 364 HE3 LYS 43 HE3 LYS 43 16.347 1.230 2.467 365 HZ1 LYS 43 HZ1 LYS 43 15.871 3.029 4.013 366 HZ2 LYS 43 HZ2 LYS 43 17.382 2.368 4.366 367 HZ3 LYS 43 HZ3 LYS 43 16.047 1.994 5.317 368 H ASN 44 H ASN 44 14.601 -4.092 4.790 369 HA ASN 44 HA ASN 44 17.248 -5.226 4.748 370 HB2 ASN 44 HB2 ASN 44 16.364 -4.154 6.753 371 HB3 ASN 44 HB3 ASN 44 15.071 -5.330 6.849 372 HD21 ASN 44 HD21 ASN 44 18.500 -6.004 6.128 373 HD22 ASN 44 HD22 ASN 44 18.755 -6.904 7.557 374 H ASN 45 H ASN 45 13.957 -6.504 4.703 375 HA ASN 45 HA ASN 45 15.021 -9.220 4.622 376 HB2 ASN 45 HB2 ASN 45 12.979 -8.675 6.117 377 HB3 ASN 45 HB3 ASN 45 12.104 -8.414 4.620 378 HD21 ASN 45 HD21 ASN 45 10.672 -10.015 5.468 379 HD22 ASN 45 HD22 ASN 45 11.087 -11.661 5.316 380 H ASN 46 H ASN 46 13.675 -6.827 2.549 381 HA ASN 46 HA ASN 46 13.340 -6.613 0.300 382 HB2 ASN 46 HB2 ASN 46 15.654 -7.700 0.239 383 HB3 ASN 46 HB3 ASN 46 14.846 -9.239 -0.017 384 HD21 ASN 46 HD21 ASN 46 15.675 -6.146 -1.414 385 HD22 ASN 46 HD22 ASN 46 15.303 -6.586 -3.039 386 H ARG 47 H ARG 47 11.759 -8.571 2.088 387 HA ARG 47 HA ARG 47 10.282 -10.174 0.213 388 HB2 ARG 47 HB2 ARG 47 10.065 -9.567 3.118 389 HB3 ARG 47 HB3 ARG 47 8.634 -10.142 2.287 390 HG2 ARG 47 HG2 ARG 47 10.120 -11.738 3.510 391 HG3 ARG 47 HG3 ARG 47 9.618 -12.272 1.869 392 HD2 ARG 47 HD2 ARG 47 11.903 -11.246 1.245 393 HD3 ARG 47 HD3 ARG 47 12.195 -11.208 2.966 394 HE ARG 47 HE ARG 47 11.330 -13.788 2.211 395 HH11 ARG 47 HH11 ARG 47 14.183 -11.697 2.213 396 HH12 ARG 47 HH12 ARG 47 15.300 -12.963 2.159 397 HH21 ARG 47 HH21 ARG 47 12.849 -15.553 2.139 398 HH22 ARG 47 HH22 ARG 47 14.521 -15.240 2.123 399 H GLN 48 H GLN 48 8.404 -9.935 -0.664 400 HA GLN 48 HA GLN 48 7.478 -7.213 -0.843 401 HB2 GLN 48 HB2 GLN 48 7.969 -8.642 -2.876 402 HB3 GLN 48 HB3 GLN 48 6.628 -9.662 -2.386 403 HG2 GLN 48 HG2 GLN 48 5.136 -7.783 -2.542 404 HG3 GLN 48 HG3 GLN 48 6.471 -6.754 -3.013 405 HE21 GLN 48 HE21 GLN 48 4.339 -9.297 -4.043 406 HE22 GLN 48 HE22 GLN 48 4.722 -9.215 -5.713 407 H VAL 49 H VAL 49 5.867 -6.631 0.378 408 HA VAL 49 HA VAL 49 4.026 -8.692 1.297 409 HB VAL 49 HB VAL 49 3.791 -7.476 3.418 410 HG11 VAL 49 HG11 VAL 49 5.961 -8.050 4.426 411 HG12 VAL 49 HG12 VAL 49 6.650 -8.208 2.809 412 HG13 VAL 49 HG13 VAL 49 5.378 -9.309 3.339 413 HG21 VAL 49 HG21 VAL 49 4.378 -5.223 2.676 414 HG22 VAL 49 HG22 VAL 49 6.048 -5.727 2.416 415 HG23 VAL 49 HG23 VAL 49 5.381 -5.695 4.049 416 H CYS 50 H CYS 50 1.902 -7.910 1.704 417 HA CYS 50 HA CYS 50 1.267 -5.652 -0.001 418 HB2 CYS 50 HB2 CYS 50 -0.674 -7.567 1.321 419 HB3 CYS 50 HB3 CYS 50 -0.952 -6.444 0.019 420 H ILE 51 H ILE 51 0.245 -3.892 0.829 421 HA ILE 51 HA ILE 51 0.336 -3.793 3.740 422 HB ILE 51 HB ILE 51 0.701 -1.492 1.811 423 HG12 ILE 51 HG12 ILE 51 2.574 -3.117 3.475 424 HG13 ILE 51 HG13 ILE 51 2.597 -2.854 1.761 425 HG21 ILE 51 HG21 ILE 51 -0.398 -0.761 3.859 426 HG22 ILE 51 HG22 ILE 51 1.265 -0.174 3.785 427 HG23 ILE 51 HG23 ILE 51 0.863 -1.555 4.803 428 HD11 ILE 51 HD11 ILE 51 3.174 -0.524 2.010 429 HD12 ILE 51 HD12 ILE 51 4.356 -1.538 2.841 430 HD13 ILE 51 HD13 ILE 51 3.115 -0.675 3.764 431 H ASP 52 H ASP 52 -1.248 -2.991 4.870 432 HA ASP 52 HA ASP 52 -3.839 -3.037 3.720 433 HB2 ASP 52 HB2 ASP 52 -3.444 -4.024 5.726 434 HB3 ASP 52 HB3 ASP 52 -2.771 -2.585 6.477 435 HA PRO 53 HA PRO 53 -3.937 1.255 2.764 436 HB2 PRO 53 HB2 PRO 53 -6.642 1.472 2.393 437 HB3 PRO 53 HB3 PRO 53 -5.504 0.848 1.196 438 HG2 PRO 53 HG2 PRO 53 -7.324 -0.639 3.030 439 HG3 PRO 53 HG3 PRO 53 -6.847 -1.013 1.368 440 HD2 PRO 53 HD2 PRO 53 -5.822 -2.258 3.547 441 HD3 PRO 53 HD3 PRO 53 -4.935 -2.067 2.022 442 H LYS 54 H LYS 54 -5.507 0.020 5.643 443 HA LYS 54 HA LYS 54 -6.255 2.757 6.241 444 HB2 LYS 54 HB2 LYS 54 -7.617 1.995 8.051 445 HB3 LYS 54 HB3 LYS 54 -8.060 1.216 6.545 446 HG2 LYS 54 HG2 LYS 54 -6.840 -0.777 7.283 447 HG3 LYS 54 HG3 LYS 54 -6.503 0.044 8.810 448 HD2 LYS 54 HD2 LYS 54 -9.135 -0.279 7.639 449 HD3 LYS 54 HD3 LYS 54 -8.517 -1.496 8.805 450 HE2 LYS 54 HE2 LYS 54 -8.294 0.518 10.403 451 HE3 LYS 54 HE3 LYS 54 -9.199 1.444 9.213 452 HZ1 LYS 54 HZ1 LYS 54 -10.658 0.572 10.947 453 HZ2 LYS 54 HZ2 LYS 54 -10.164 -0.995 10.578 454 HZ3 LYS 54 HZ3 LYS 54 -11.035 -0.104 9.451 455 H LEU 55 H LEU 55 -3.534 1.144 6.528 456 HA LEU 55 HA LEU 55 -2.783 1.450 9.188 457 HB2 LEU 55 HB2 LEU 55 -1.254 1.574 6.633 458 HB3 LEU 55 HB3 LEU 55 -0.427 1.827 8.135 459 HG LEU 55 HG LEU 55 -1.852 -0.701 7.243 460 HD11 LEU 55 HD11 LEU 55 1.061 -0.106 7.720 461 HD12 LEU 55 HD12 LEU 55 0.273 -0.216 6.139 462 HD13 LEU 55 HD13 LEU 55 0.347 -1.641 7.174 463 HD21 LEU 55 HD21 LEU 55 -2.035 -0.476 9.657 464 HD22 LEU 55 HD22 LEU 55 -0.303 -0.115 9.748 465 HD23 LEU 55 HD23 LEU 55 -0.820 -1.697 9.230 466 H LYS 56 H LYS 56 -1.913 3.109 10.296 467 HA LYS 56 HA LYS 56 -3.063 5.605 9.735 468 HB2 LYS 56 HB2 LYS 56 -0.942 4.955 11.790 469 HB3 LYS 56 HB3 LYS 56 -1.922 6.405 11.755 470 HG2 LYS 56 HG2 LYS 56 -3.942 5.097 12.094 471 HG3 LYS 56 HG3 LYS 56 -2.997 3.611 12.067 472 HD2 LYS 56 HD2 LYS 56 -1.760 4.431 14.052 473 HD3 LYS 56 HD3 LYS 56 -2.817 5.839 14.095 474 HE2 LYS 56 HE2 LYS 56 -3.689 2.957 14.355 475 HE3 LYS 56 HE3 LYS 56 -3.555 4.106 15.680 476 HZ1 LYS 56 HZ1 LYS 56 -5.831 3.861 14.935 477 HZ2 LYS 56 HZ2 LYS 56 -5.432 4.311 13.377 478 HZ3 LYS 56 HZ3 LYS 56 -5.311 5.430 14.635 479 H TRP 57 H TRP 57 0.303 4.492 9.438 480 HA TRP 57 HA TRP 57 1.123 7.090 8.574 481 HB2 TRP 57 HB2 TRP 57 3.301 6.148 8.048 482 HB3 TRP 57 HB3 TRP 57 2.764 5.541 9.600 483 HD1 TRP 57 HD1 TRP 57 2.375 2.880 9.783 484 HE1 TRP 57 HE1 TRP 57 3.087 0.946 8.295 485 HE3 TRP 57 HE3 TRP 57 3.574 5.508 5.570 486 HZ2 TRP 57 HZ2 TRP 57 4.031 0.556 5.666 487 HZ3 TRP 57 HZ3 TRP 57 4.380 4.268 3.602 488 HH2 TRP 57 HH2 TRP 57 4.606 1.853 3.647 489 H ILE 58 H ILE 58 -0.225 4.352 7.033 490 HA ILE 58 HA ILE 58 0.411 5.080 4.354 491 HB ILE 58 HB ILE 58 -1.673 3.225 5.523 492 HG12 ILE 58 HG12 ILE 58 0.660 2.445 5.545 493 HG13 ILE 58 HG13 ILE 58 -0.340 1.462 4.492 494 HG21 ILE 58 HG21 ILE 58 -2.237 2.487 3.304 495 HG22 ILE 58 HG22 ILE 58 -1.160 3.721 2.625 496 HG23 ILE 58 HG23 ILE 58 -2.616 4.214 3.513 497 HD11 ILE 58 HD11 ILE 58 1.795 1.879 3.464 498 HD12 ILE 58 HD12 ILE 58 1.549 3.620 3.583 499 HD13 ILE 58 HD13 ILE 58 0.509 2.652 2.541 500 H GLN 59 H GLN 59 -2.299 5.669 6.504 501 HA GLN 59 HA GLN 59 -3.817 7.126 4.699 502 HB2 GLN 59 HB2 GLN 59 -3.621 7.312 7.691 503 HB3 GLN 59 HB3 GLN 59 -4.720 8.320 6.757 504 HG2 GLN 59 HG2 GLN 59 -4.720 5.312 6.796 505 HG3 GLN 59 HG3 GLN 59 -5.861 6.360 7.652 506 HE21 GLN 59 HE21 GLN 59 -4.931 5.074 4.556 507 HE22 GLN 59 HE22 GLN 59 -6.277 5.663 3.676 508 H GLU 60 H GLU 60 -1.353 8.275 6.963 509 HA GLU 60 HA GLU 60 -1.390 10.947 6.133 510 HB2 GLU 60 HB2 GLU 60 0.897 9.295 7.196 511 HB3 GLU 60 HB3 GLU 60 0.950 11.039 7.000 512 HG2 GLU 60 HG2 GLU 60 -0.956 9.533 8.774 513 HG3 GLU 60 HG3 GLU 60 0.497 10.400 9.283 514 H TYR 61 H TYR 61 0.235 8.157 4.783 515 HA TYR 61 HA TYR 61 1.812 9.402 2.831 516 HB2 TYR 61 HB2 TYR 61 2.092 6.974 3.248 517 HB3 TYR 61 HB3 TYR 61 0.435 6.712 2.859 518 HD1 TYR 61 HD1 TYR 61 3.376 8.271 1.116 519 HD2 TYR 61 HD2 TYR 61 -0.034 5.749 0.913 520 HE1 TYR 61 HE1 TYR 61 3.846 7.826 -1.262 521 HE2 TYR 61 HE2 TYR 61 0.379 5.300 -1.409 522 HH TYR 61 HH TYR 61 3.353 6.162 -2.924 523 H LEU 62 H LEU 62 -1.460 8.139 2.642 524 HA LEU 62 HA LEU 62 -1.790 8.958 -0.007 525 HB2 LEU 62 HB2 LEU 62 -3.628 7.822 2.014 526 HB3 LEU 62 HB3 LEU 62 -4.139 8.218 0.369 527 HG LEU 62 HG LEU 62 -1.705 6.571 0.829 528 HD11 LEU 62 HD11 LEU 62 -2.973 4.657 0.468 529 HD12 LEU 62 HD12 LEU 62 -4.508 5.611 0.596 530 HD13 LEU 62 HD13 LEU 62 -3.349 5.485 1.980 531 HD21 LEU 62 HD21 LEU 62 -2.003 7.488 -1.384 532 HD22 LEU 62 HD22 LEU 62 -3.636 6.833 -1.440 533 HD23 LEU 62 HD23 LEU 62 -2.254 5.740 -1.400 534 H GLU 63 H GLU 63 -2.653 10.348 3.057 535 HA GLU 63 HA GLU 63 -4.218 12.489 2.064 536 HB2 GLU 63 HB2 GLU 63 -2.255 12.559 4.376 537 HB3 GLU 63 HB3 GLU 63 -3.515 13.741 4.074 538 HG2 GLU 63 HG2 GLU 63 -3.942 10.844 4.758 539 HG3 GLU 63 HG3 GLU 63 -4.132 12.217 5.844 540 H LYS 64 H LYS 64 -0.763 12.186 2.634 541 HA LYS 64 HA LYS 64 0.192 14.596 1.682 542 HB2 LYS 64 HB2 LYS 64 1.579 13.014 2.816 543 HB3 LYS 64 HB3 LYS 64 1.345 11.828 1.545 544 HG2 LYS 64 HG2 LYS 64 3.428 12.656 1.197 545 HG3 LYS 64 HG3 LYS 64 2.431 13.411 -0.001 546 HD2 LYS 64 HD2 LYS 64 2.170 15.446 1.329 547 HD3 LYS 64 HD3 LYS 64 3.221 14.767 2.576 548 HE2 LYS 64 HE2 LYS 64 5.062 14.697 0.977 549 HE3 LYS 64 HE3 LYS 64 4.013 15.353 -0.274 550 HZ1 LYS 64 HZ1 LYS 64 4.806 16.721 2.238 551 HZ2 LYS 64 HZ2 LYS 64 3.716 17.335 1.091 552 HZ3 LYS 64 HZ3 LYS 64 5.339 17.093 0.695 553 H ALA 65 H ALA 65 0.361 11.586 -0.089 554 HA ALA 65 HA ALA 65 1.024 12.573 -2.588 555 HB1 ALA 65 HB1 ALA 65 0.387 10.455 -3.523 556 HB2 ALA 65 HB2 ALA 65 -0.591 10.088 -2.106 557 HB3 ALA 65 HB3 ALA 65 1.169 10.202 -1.957 558 H LEU 66 H LEU 66 -2.352 12.096 -1.365 559 HA LEU 66 HA LEU 66 -3.298 12.902 -3.894 560 HB2 LEU 66 HB2 LEU 66 -4.643 12.238 -1.315 561 HB3 LEU 66 HB3 LEU 66 -5.539 12.959 -2.635 562 HG LEU 66 HG LEU 66 -5.811 10.565 -2.497 563 HD11 LEU 66 HD11 LEU 66 -4.334 11.451 -4.983 564 HD12 LEU 66 HD12 LEU 66 -6.059 11.646 -4.668 565 HD13 LEU 66 HD13 LEU 66 -5.377 10.037 -4.880 566 HD21 LEU 66 HD21 LEU 66 -4.006 9.008 -3.183 567 HD22 LEU 66 HD22 LEU 66 -3.655 9.843 -1.669 568 HD23 LEU 66 HD23 LEU 66 -2.875 10.359 -3.162 569 H ASN 67 H ASN 67 -2.582 14.601 -0.905 570 HA ASN 67 HA ASN 67 -3.964 16.983 -1.830 571 HB2 ASN 67 HB2 ASN 67 -2.127 16.613 0.560 572 HB3 ASN 67 HB3 ASN 67 -2.959 18.111 0.175 573 HD21 ASN 67 HD21 ASN 67 -3.136 16.483 2.556 574 HD22 ASN 67 HD22 ASN 67 -4.783 16.038 2.734 575 H LYS 68 H LYS 68 -1.085 15.513 -2.396 576 HA LYS 68 HA LYS 68 0.716 17.559 -2.959 577 HB2 LYS 68 HB2 LYS 68 1.328 15.234 -2.939 578 HB3 LYS 68 HB3 LYS 68 0.256 14.901 -4.285 579 HG2 LYS 68 HG2 LYS 68 1.644 16.348 -5.707 580 HG3 LYS 68 HG3 LYS 68 2.748 16.583 -4.346 581 HD2 LYS 68 HD2 LYS 68 3.163 14.250 -4.223 582 HD3 LYS 68 HD3 LYS 68 1.982 13.928 -5.497 583 HE2 LYS 68 HE2 LYS 68 3.360 15.257 -7.063 584 HE3 LYS 68 HE3 LYS 68 4.552 15.484 -5.789 585 HZ1 LYS 68 HZ1 LYS 68 3.710 12.859 -6.850 586 HZ2 LYS 68 HZ2 LYS 68 4.925 13.128 -5.720 587 HZ3 LYS 68 HZ3 LYS 68 5.130 13.659 -7.315 Start of MODEL 14 1 H LYS 1 H LYS 1 -3.009 -26.951 -7.726 2 HA LYS 1 HA LYS 1 -1.886 -25.075 -5.731 3 HB2 LYS 1 HB2 LYS 1 -0.489 -24.278 -7.584 4 HB3 LYS 1 HB3 LYS 1 -0.161 -25.969 -7.248 5 HG2 LYS 1 HG2 LYS 1 -1.512 -26.631 -9.171 6 HG3 LYS 1 HG3 LYS 1 -1.905 -24.945 -9.489 7 HD2 LYS 1 HD2 LYS 1 0.872 -26.142 -9.555 8 HD3 LYS 1 HD3 LYS 1 -0.132 -25.804 -10.963 9 HE2 LYS 1 HE2 LYS 1 -0.110 -23.411 -10.403 10 HE3 LYS 1 HE3 LYS 1 0.864 -23.758 -8.981 11 HZ1 LYS 1 HZ1 LYS 1 2.218 -22.961 -10.808 12 HZ2 LYS 1 HZ2 LYS 1 1.725 -24.257 -11.785 13 HZ3 LYS 1 HZ3 LYS 1 2.639 -24.521 -10.388 14 HA PRO 2 HA PRO 2 -4.911 -22.294 -7.477 15 HB2 PRO 2 HB2 PRO 2 -3.797 -19.905 -6.811 16 HB3 PRO 2 HB3 PRO 2 -4.594 -20.941 -5.620 17 HG2 PRO 2 HG2 PRO 2 -1.680 -20.550 -6.140 18 HG3 PRO 2 HG3 PRO 2 -2.520 -20.783 -4.601 19 HD2 PRO 2 HD2 PRO 2 -1.152 -22.759 -5.945 20 HD3 PRO 2 HD3 PRO 2 -2.449 -23.056 -4.774 21 H VAL 3 H VAL 3 -5.028 -21.967 -9.607 22 HA VAL 3 HA VAL 3 -2.594 -21.458 -11.121 23 HB VAL 3 HB VAL 3 -4.153 -23.227 -11.866 24 HG11 VAL 3 HG11 VAL 3 -6.249 -22.324 -11.183 25 HG12 VAL 3 HG12 VAL 3 -6.300 -22.659 -12.916 26 HG13 VAL 3 HG13 VAL 3 -6.101 -21.004 -12.336 27 HG21 VAL 3 HG21 VAL 3 -2.720 -22.219 -13.548 28 HG22 VAL 3 HG22 VAL 3 -3.916 -20.954 -13.838 29 HG23 VAL 3 HG23 VAL 3 -4.285 -22.630 -14.254 30 H SER 4 H SER 4 -5.158 -19.769 -9.813 31 HA SER 4 HA SER 4 -5.728 -17.664 -9.677 32 HB2 SER 4 HB2 SER 4 -3.354 -17.049 -11.451 33 HB3 SER 4 HB3 SER 4 -4.318 -15.837 -10.602 34 HG SER 4 HG SER 4 -2.467 -17.676 -9.634 35 H LEU 5 H LEU 5 -7.604 -18.327 -10.619 36 HA LEU 5 HA LEU 5 -8.236 -16.913 -13.076 37 HB2 LEU 5 HB2 LEU 5 -9.049 -19.759 -12.400 38 HB3 LEU 5 HB3 LEU 5 -9.796 -18.806 -13.657 39 HG LEU 5 HG LEU 5 -6.906 -19.697 -13.644 40 HD11 LEU 5 HD11 LEU 5 -7.604 -21.213 -15.437 41 HD12 LEU 5 HD12 LEU 5 -9.277 -20.691 -15.226 42 HD13 LEU 5 HD13 LEU 5 -8.454 -21.567 -13.934 43 HD21 LEU 5 HD21 LEU 5 -6.913 -18.922 -15.973 44 HD22 LEU 5 HD22 LEU 5 -7.226 -17.604 -14.852 45 HD23 LEU 5 HD23 LEU 5 -8.557 -18.317 -15.766 46 H SER 6 H SER 6 -10.815 -17.014 -13.161 47 HA SER 6 HA SER 6 -12.729 -16.263 -12.260 48 HB2 SER 6 HB2 SER 6 -11.771 -17.760 -9.797 49 HB3 SER 6 HB3 SER 6 -13.427 -17.231 -10.108 50 HG SER 6 HG SER 6 -13.603 -18.633 -11.749 51 H TYR 7 H TYR 7 -13.408 -15.283 -9.690 52 HA TYR 7 HA TYR 7 -11.909 -12.824 -9.831 53 HB2 TYR 7 HB2 TYR 7 -14.410 -13.555 -8.329 54 HB3 TYR 7 HB3 TYR 7 -13.646 -11.974 -8.247 55 HD1 TYR 7 HD1 TYR 7 -15.404 -14.347 -10.455 56 HD2 TYR 7 HD2 TYR 7 -13.958 -10.383 -9.994 57 HE1 TYR 7 HE1 TYR 7 -16.700 -13.653 -12.415 58 HE2 TYR 7 HE2 TYR 7 -15.256 -9.674 -11.963 59 HH TYR 7 HH TYR 7 -16.235 -10.673 -13.945 60 H ARG 8 H ARG 8 -10.081 -12.903 -8.805 61 HA ARG 8 HA ARG 8 -10.122 -13.636 -5.961 62 HB2 ARG 8 HB2 ARG 8 -7.805 -14.383 -6.160 63 HB3 ARG 8 HB3 ARG 8 -8.871 -15.359 -7.159 64 HG2 ARG 8 HG2 ARG 8 -8.095 -14.359 -9.145 65 HG3 ARG 8 HG3 ARG 8 -7.326 -13.038 -8.270 66 HD2 ARG 8 HD2 ARG 8 -6.511 -15.931 -8.121 67 HD3 ARG 8 HD3 ARG 8 -5.695 -14.707 -9.094 68 HE ARG 8 HE ARG 8 -5.926 -14.533 -6.161 69 HH11 ARG 8 HH11 ARG 8 -3.955 -14.201 -9.099 70 HH12 ARG 8 HH12 ARG 8 -2.553 -13.736 -8.277 71 HH21 ARG 8 HH21 ARG 8 -4.023 -13.851 -5.041 72 HH22 ARG 8 HH22 ARG 8 -2.585 -13.521 -5.900 73 H CYS 9 H CYS 9 -8.186 -12.589 -4.827 74 HA CYS 9 HA CYS 9 -7.837 -9.915 -5.952 75 HB2 CYS 9 HB2 CYS 9 -7.744 -10.755 -3.045 76 HB3 CYS 9 HB3 CYS 9 -7.518 -9.134 -3.662 77 HA PRO 10 HA PRO 10 -3.456 -10.667 -6.470 78 HB2 PRO 10 HB2 PRO 10 -3.327 -7.780 -5.623 79 HB3 PRO 10 HB3 PRO 10 -2.572 -8.586 -7.003 80 HG2 PRO 10 HG2 PRO 10 -4.706 -7.095 -7.354 81 HG3 PRO 10 HG3 PRO 10 -4.542 -8.635 -8.218 82 HD2 PRO 10 HD2 PRO 10 -6.234 -7.963 -5.851 83 HD3 PRO 10 HD3 PRO 10 -6.584 -9.017 -7.241 84 H CYS 11 H CYS 11 -4.606 -8.903 -3.616 85 HA CYS 11 HA CYS 11 -2.688 -10.412 -2.031 86 HB2 CYS 11 HB2 CYS 11 -3.194 -7.445 -1.809 87 HB3 CYS 11 HB3 CYS 11 -2.452 -8.390 -0.529 88 H ARG 12 H ARG 12 -3.997 -11.740 -0.981 89 HA ARG 12 HA ARG 12 -6.380 -10.642 0.263 90 HB2 ARG 12 HB2 ARG 12 -5.329 -13.472 0.251 91 HB3 ARG 12 HB3 ARG 12 -6.824 -12.955 1.013 92 HG2 ARG 12 HG2 ARG 12 -7.635 -12.224 -1.215 93 HG3 ARG 12 HG3 ARG 12 -6.178 -12.940 -1.921 94 HD2 ARG 12 HD2 ARG 12 -8.027 -14.499 -2.060 95 HD3 ARG 12 HD3 ARG 12 -6.784 -15.090 -0.947 96 HE ARG 12 HE ARG 12 -8.611 -13.681 0.575 97 HH11 ARG 12 HH11 ARG 12 -8.705 -16.588 -1.428 98 HH12 ARG 12 HH12 ARG 12 -9.932 -17.333 -0.500 99 HH21 ARG 12 HH21 ARG 12 -10.301 -14.708 1.810 100 HH22 ARG 12 HH22 ARG 12 -10.845 -16.264 1.367 101 H PHE 13 H PHE 13 -3.140 -11.421 0.951 102 HA PHE 13 HA PHE 13 -3.665 -11.033 3.785 103 HB2 PHE 13 HB2 PHE 13 -1.452 -12.095 4.212 104 HB3 PHE 13 HB3 PHE 13 -2.578 -13.176 3.407 105 HD1 PHE 13 HD1 PHE 13 -2.192 -13.861 1.087 106 HD2 PHE 13 HD2 PHE 13 0.546 -11.313 3.121 107 HE1 PHE 13 HE1 PHE 13 -0.499 -14.305 -0.639 108 HE2 PHE 13 HE2 PHE 13 2.243 -11.756 1.397 109 HZ PHE 13 HZ PHE 13 1.724 -13.248 -0.483 110 H PHE 14 H PHE 14 -2.731 -9.386 4.817 111 HA PHE 14 HA PHE 14 -0.819 -7.604 3.407 112 HB2 PHE 14 HB2 PHE 14 -3.185 -6.789 5.018 113 HB3 PHE 14 HB3 PHE 14 -2.053 -5.681 4.260 114 HD1 PHE 14 HD1 PHE 14 -2.115 -5.577 1.713 115 HD2 PHE 14 HD2 PHE 14 -5.110 -7.502 4.029 116 HE1 PHE 14 HE1 PHE 14 -3.670 -5.419 -0.174 117 HE2 PHE 14 HE2 PHE 14 -6.674 -7.350 2.155 118 HZ PHE 14 HZ PHE 14 -5.966 -6.306 0.049 119 H GLU 15 H GLU 15 0.579 -6.568 4.855 120 HA GLU 15 HA GLU 15 0.581 -7.699 7.480 121 HB2 GLU 15 HB2 GLU 15 2.669 -7.528 6.148 122 HB3 GLU 15 HB3 GLU 15 2.475 -5.786 6.082 123 HG2 GLU 15 HG2 GLU 15 2.777 -5.602 8.418 124 HG3 GLU 15 HG3 GLU 15 2.708 -7.365 8.569 125 H SER 16 H SER 16 -0.397 -6.641 9.153 126 HA SER 16 HA SER 16 -1.478 -4.008 8.593 127 HB2 SER 16 HB2 SER 16 -2.919 -4.471 10.575 128 HB3 SER 16 HB3 SER 16 -3.089 -5.660 9.286 129 HG SER 16 HG SER 16 -1.980 -5.871 11.813 130 H HIS 17 H HIS 17 1.322 -4.765 9.541 131 HA HIS 17 HA HIS 17 1.584 -2.437 11.150 132 HB2 HIS 17 HB2 HIS 17 1.173 -4.154 12.895 133 HB3 HIS 17 HB3 HIS 17 2.510 -5.104 12.272 134 HD1 HIS 17 HD1 HIS 17 1.753 -2.013 14.282 135 HD2 HIS 17 HD2 HIS 17 5.040 -4.222 13.054 136 HE1 HIS 17 HE1 HIS 17 3.665 -1.158 15.622 137 HE2 HIS 17 HE2 HIS 17 5.526 -2.757 15.100 138 H VAL 18 H VAL 18 2.709 -1.651 9.479 139 HA VAL 18 HA VAL 18 5.086 -3.125 8.617 140 HB VAL 18 HB VAL 18 3.506 -1.038 7.117 141 HG11 VAL 18 HG11 VAL 18 4.843 -1.713 5.152 142 HG12 VAL 18 HG12 VAL 18 5.774 -2.804 6.177 143 HG13 VAL 18 HG13 VAL 18 5.855 -1.066 6.445 144 HG21 VAL 18 HG21 VAL 18 2.225 -3.079 7.337 145 HG22 VAL 18 HG22 VAL 18 3.588 -4.019 6.729 146 HG23 VAL 18 HG23 VAL 18 2.760 -2.875 5.669 147 H ALA 19 H ALA 19 7.031 -1.951 8.525 148 HA ALA 19 HA ALA 19 6.930 0.647 9.834 149 HB1 ALA 19 HB1 ALA 19 9.346 0.358 10.216 150 HB2 ALA 19 HB2 ALA 19 9.298 -1.164 9.325 151 HB3 ALA 19 HB3 ALA 19 8.428 -1.009 10.850 152 H ARG 20 H ARG 20 7.236 2.438 8.696 153 HA ARG 20 HA ARG 20 7.494 2.312 5.881 154 HB2 ARG 20 HB2 ARG 20 6.124 3.989 6.948 155 HB3 ARG 20 HB3 ARG 20 7.518 4.666 7.769 156 HG2 ARG 20 HG2 ARG 20 8.418 5.455 5.694 157 HG3 ARG 20 HG3 ARG 20 7.156 4.621 4.782 158 HD2 ARG 20 HD2 ARG 20 5.486 5.929 5.784 159 HD3 ARG 20 HD3 ARG 20 6.650 6.779 6.821 160 HE ARG 20 HE ARG 20 7.451 7.132 4.206 161 HH11 ARG 20 HH11 ARG 20 4.599 7.998 6.151 162 HH12 ARG 20 HH12 ARG 20 4.258 9.400 5.252 163 HH21 ARG 20 HH21 ARG 20 6.941 9.081 2.986 164 HH22 ARG 20 HH22 ARG 20 5.578 10.002 3.424 165 H ALA 21 H ALA 21 9.725 2.678 8.431 166 HA ALA 21 HA ALA 21 11.873 3.687 6.808 167 HB1 ALA 21 HB1 ALA 21 11.798 4.123 9.221 168 HB2 ALA 21 HB2 ALA 21 13.265 3.252 8.781 169 HB3 ALA 21 HB3 ALA 21 11.927 2.395 9.541 170 H ASN 22 H ASN 22 10.361 0.695 7.119 171 HA ASN 22 HA ASN 22 12.791 -0.835 6.564 172 HB2 ASN 22 HB2 ASN 22 11.245 -1.654 8.326 173 HB3 ASN 22 HB3 ASN 22 9.986 -1.833 7.115 174 HD21 ASN 22 HD21 ASN 22 9.768 -4.014 7.447 175 HD22 ASN 22 HD22 ASN 22 10.955 -5.179 7.002 176 H VAL 23 H VAL 23 9.933 0.415 4.932 177 HA VAL 23 HA VAL 23 10.226 -1.426 2.773 178 HB VAL 23 HB VAL 23 8.412 -0.123 1.744 179 HG11 VAL 23 HG11 VAL 23 6.656 -0.893 3.314 180 HG12 VAL 23 HG12 VAL 23 7.909 -1.163 4.534 181 HG13 VAL 23 HG13 VAL 23 7.915 -2.096 3.035 182 HG21 VAL 23 HG21 VAL 23 8.773 2.036 2.746 183 HG22 VAL 23 HG22 VAL 23 8.450 1.382 4.347 184 HG23 VAL 23 HG23 VAL 23 7.148 1.485 3.160 185 H LYS 24 H LYS 24 10.817 -0.987 0.753 186 HA LYS 24 HA LYS 24 12.547 1.385 0.323 187 HB2 LYS 24 HB2 LYS 24 13.431 0.193 -1.549 188 HB3 LYS 24 HB3 LYS 24 13.591 -0.774 -0.101 189 HG2 LYS 24 HG2 LYS 24 11.995 -2.309 -0.750 190 HG3 LYS 24 HG3 LYS 24 11.241 -1.200 -1.887 191 HD2 LYS 24 HD2 LYS 24 13.953 -2.508 -2.227 192 HD3 LYS 24 HD3 LYS 24 12.433 -2.972 -3.023 193 HE2 LYS 24 HE2 LYS 24 12.255 -0.752 -3.981 194 HE3 LYS 24 HE3 LYS 24 13.732 -0.262 -3.318 195 HZ1 LYS 24 HZ1 LYS 24 14.129 -0.915 -5.550 196 HZ2 LYS 24 HZ2 LYS 24 13.475 -2.459 -5.301 197 HZ3 LYS 24 HZ3 LYS 24 14.911 -2.000 -4.532 198 H HIS 25 H HIS 25 9.689 -0.138 -0.779 199 HA HIS 25 HA HIS 25 9.177 1.945 -2.719 200 HB2 HIS 25 HB2 HIS 25 10.733 0.681 -3.975 201 HB3 HIS 25 HB3 HIS 25 10.037 -0.829 -3.456 202 HD1 HIS 25 HD1 HIS 25 8.954 2.137 -5.629 203 HD2 HIS 25 HD2 HIS 25 8.717 -1.942 -5.284 204 HE1 HIS 25 HE1 HIS 25 7.678 1.424 -7.662 205 HE2 HIS 25 HE2 HIS 25 7.891 -1.081 -7.606 206 H LEU 26 H LEU 26 7.111 2.316 -2.385 207 HA LEU 26 HA LEU 26 5.257 0.139 -1.753 208 HB2 LEU 26 HB2 LEU 26 4.826 3.108 -1.848 209 HB3 LEU 26 HB3 LEU 26 3.681 1.939 -1.247 210 HG LEU 26 HG LEU 26 6.318 2.673 0.040 211 HD11 LEU 26 HD11 LEU 26 4.924 3.652 1.787 212 HD12 LEU 26 HD12 LEU 26 3.478 3.262 0.855 213 HD13 LEU 26 HD13 LEU 26 4.643 4.425 0.228 214 HD21 LEU 26 HD21 LEU 26 5.777 0.349 0.468 215 HD22 LEU 26 HD22 LEU 26 4.138 0.807 0.946 216 HD23 LEU 26 HD23 LEU 26 5.509 1.321 1.917 217 H LYS 27 H LYS 27 3.904 -0.586 -3.305 218 HA LYS 27 HA LYS 27 3.318 1.122 -5.615 219 HB2 LYS 27 HB2 LYS 27 5.090 -0.792 -6.063 220 HB3 LYS 27 HB3 LYS 27 3.764 -1.851 -5.785 221 HG2 LYS 27 HG2 LYS 27 3.635 0.243 -7.942 222 HG3 LYS 27 HG3 LYS 27 4.293 -1.362 -8.202 223 HD2 LYS 27 HD2 LYS 27 1.488 -0.836 -7.195 224 HD3 LYS 27 HD3 LYS 27 1.887 -1.071 -8.896 225 HE2 LYS 27 HE2 LYS 27 2.527 -3.028 -6.721 226 HE3 LYS 27 HE3 LYS 27 1.068 -3.140 -7.729 227 HZ1 LYS 27 HZ1 LYS 27 2.854 -4.566 -8.575 228 HZ2 LYS 27 HZ2 LYS 27 3.883 -3.237 -8.708 229 HZ3 LYS 27 HZ3 LYS 27 2.518 -3.331 -9.660 230 H ILE 28 H ILE 28 1.212 1.475 -5.274 231 HA ILE 28 HA ILE 28 -0.324 -0.651 -4.037 232 HB ILE 28 HB ILE 28 -1.307 2.155 -4.659 233 HG12 ILE 28 HG12 ILE 28 -0.126 0.984 -2.151 234 HG13 ILE 28 HG13 ILE 28 0.578 2.261 -3.128 235 HG21 ILE 28 HG21 ILE 28 -3.051 0.392 -4.316 236 HG22 ILE 28 HG22 ILE 28 -3.056 1.591 -3.009 237 HG23 ILE 28 HG23 ILE 28 -2.302 0.023 -2.752 238 HD11 ILE 28 HD11 ILE 28 -0.432 3.087 -1.062 239 HD12 ILE 28 HD12 ILE 28 -1.989 2.451 -1.559 240 HD13 ILE 28 HD13 ILE 28 -1.246 3.766 -2.483 241 H LEU 29 H LEU 29 -1.854 -1.768 -5.008 242 HA LEU 29 HA LEU 29 -2.221 -1.432 -7.897 243 HB2 LEU 29 HB2 LEU 29 -0.932 -3.394 -7.291 244 HB3 LEU 29 HB3 LEU 29 -2.152 -3.871 -6.135 245 HG LEU 29 HG LEU 29 -3.700 -4.398 -7.930 246 HD11 LEU 29 HD11 LEU 29 -2.976 -2.722 -9.566 247 HD12 LEU 29 HD12 LEU 29 -2.961 -4.335 -10.275 248 HD13 LEU 29 HD13 LEU 29 -1.447 -3.575 -9.777 249 HD21 LEU 29 HD21 LEU 29 -0.969 -5.591 -8.316 250 HD22 LEU 29 HD22 LEU 29 -2.488 -6.300 -8.861 251 HD23 LEU 29 HD23 LEU 29 -2.176 -6.102 -7.139 252 H ASN 30 H ASN 30 -4.188 -0.526 -8.160 253 HA ASN 30 HA ASN 30 -6.359 -1.285 -6.379 254 HB2 ASN 30 HB2 ASN 30 -7.695 0.489 -7.443 255 HB3 ASN 30 HB3 ASN 30 -6.171 1.116 -6.843 256 HD21 ASN 30 HD21 ASN 30 -4.634 1.818 -8.304 257 HD22 ASN 30 HD22 ASN 30 -5.012 2.124 -9.954 258 H THR 31 H THR 31 -7.833 -2.651 -6.779 259 HA THR 31 HA THR 31 -8.132 -3.659 -9.521 260 HB THR 31 HB THR 31 -8.349 -5.194 -6.920 261 HG1 THR 31 HG1 THR 31 -6.251 -4.288 -8.072 262 HG21 THR 31 HG21 THR 31 -8.294 -7.195 -8.339 263 HG22 THR 31 HG22 THR 31 -8.135 -6.180 -9.780 264 HG23 THR 31 HG23 THR 31 -9.616 -6.133 -8.841 265 HA PRO 32 HA PRO 32 -12.387 -2.291 -9.688 266 HB2 PRO 32 HB2 PRO 32 -12.800 -5.224 -10.073 267 HB3 PRO 32 HB3 PRO 32 -13.594 -3.871 -10.890 268 HG2 PRO 32 HG2 PRO 32 -11.509 -5.123 -12.018 269 HG3 PRO 32 HG3 PRO 32 -11.746 -3.380 -12.188 270 HD2 PRO 32 HD2 PRO 32 -9.672 -4.827 -10.707 271 HD3 PRO 32 HD3 PRO 32 -9.721 -3.117 -11.175 272 H ASN 33 H ASN 33 -12.186 -5.380 -7.857 273 HA ASN 33 HA ASN 33 -14.233 -4.298 -6.020 274 HB2 ASN 33 HB2 ASN 33 -13.815 -7.199 -6.804 275 HB3 ASN 33 HB3 ASN 33 -14.905 -6.650 -5.548 276 HD21 ASN 33 HD21 ASN 33 -14.366 -6.946 -8.975 277 HD22 ASN 33 HD22 ASN 33 -15.963 -6.476 -9.423 278 H CYS 34 H CYS 34 -11.200 -5.842 -6.394 279 HA CYS 34 HA CYS 34 -10.975 -6.513 -3.619 280 HB2 CYS 34 HB2 CYS 34 -8.963 -6.656 -5.851 281 HB3 CYS 34 HB3 CYS 34 -8.683 -7.220 -4.204 282 H ALA 35 H ALA 35 -10.795 -3.668 -5.202 283 HA ALA 35 HA ALA 35 -10.345 -1.583 -4.478 284 HB1 ALA 35 HB1 ALA 35 -9.488 -2.949 -1.996 285 HB2 ALA 35 HB2 ALA 35 -11.161 -2.487 -2.373 286 HB3 ALA 35 HB3 ALA 35 -9.915 -1.223 -2.126 287 H LEU 36 H LEU 36 -8.358 -0.469 -2.993 288 HA LEU 36 HA LEU 36 -6.135 -1.251 -4.561 289 HB2 LEU 36 HB2 LEU 36 -5.012 0.850 -3.802 290 HB3 LEU 36 HB3 LEU 36 -6.433 1.032 -4.787 291 HG LEU 36 HG LEU 36 -7.676 1.546 -2.627 292 HD11 LEU 36 HD11 LEU 36 -4.882 1.887 -1.587 293 HD12 LEU 36 HD12 LEU 36 -6.060 0.689 -1.052 294 HD13 LEU 36 HD13 LEU 36 -6.366 2.406 -0.779 295 HD21 LEU 36 HD21 LEU 36 -5.505 3.344 -3.607 296 HD22 LEU 36 HD22 LEU 36 -6.927 3.870 -2.680 297 HD23 LEU 36 HD23 LEU 36 -7.121 3.150 -4.287 298 H GLN 37 H GLN 37 -4.919 -2.579 -4.116 299 HA GLN 37 HA GLN 37 -4.312 -3.360 -1.366 300 HB2 GLN 37 HB2 GLN 37 -4.042 -4.644 -4.063 301 HB3 GLN 37 HB3 GLN 37 -3.254 -5.293 -2.638 302 HG2 GLN 37 HG2 GLN 37 -5.122 -6.176 -1.850 303 HG3 GLN 37 HG3 GLN 37 -6.101 -4.761 -2.256 304 HE21 GLN 37 HE21 GLN 37 -5.590 -4.715 -4.982 305 HE22 GLN 37 HE22 GLN 37 -6.328 -6.095 -5.710 306 H ILE 38 H ILE 38 -2.294 -3.064 -0.602 307 HA ILE 38 HA ILE 38 -0.558 -1.473 -2.317 308 HB ILE 38 HB ILE 38 -0.529 -2.017 0.602 309 HG12 ILE 38 HG12 ILE 38 -1.490 0.464 -0.820 310 HG13 ILE 38 HG13 ILE 38 -2.521 -0.784 -0.131 311 HG21 ILE 38 HG21 ILE 38 1.696 -1.390 -0.163 312 HG22 ILE 38 HG22 ILE 38 1.027 0.002 0.695 313 HG23 ILE 38 HG23 ILE 38 1.062 -0.022 -1.064 314 HD11 ILE 38 HD11 ILE 38 -1.725 -0.275 2.070 315 HD12 ILE 38 HD12 ILE 38 -2.289 1.212 1.243 316 HD13 ILE 38 HD13 ILE 38 -0.564 0.876 1.384 317 H VAL 39 H VAL 39 1.353 -2.281 -2.972 318 HA VAL 39 HA VAL 39 2.344 -4.764 -1.749 319 HB VAL 39 HB VAL 39 2.736 -3.682 -4.570 320 HG11 VAL 39 HG11 VAL 39 4.715 -4.813 -3.849 321 HG12 VAL 39 HG12 VAL 39 3.889 -5.778 -5.064 322 HG13 VAL 39 HG13 VAL 39 3.781 -6.236 -3.359 323 HG21 VAL 39 HG21 VAL 39 1.473 -5.653 -5.319 324 HG22 VAL 39 HG22 VAL 39 0.504 -4.612 -4.272 325 HG23 VAL 39 HG23 VAL 39 1.192 -6.103 -3.637 326 H ALA 40 H ALA 40 4.339 -4.635 -0.859 327 HA ALA 40 HA ALA 40 5.998 -2.322 -1.555 328 HB1 ALA 40 HB1 ALA 40 6.391 -1.825 0.783 329 HB2 ALA 40 HB2 ALA 40 5.235 -3.071 1.245 330 HB3 ALA 40 HB3 ALA 40 4.685 -1.652 0.363 331 H ARG 41 H ARG 41 8.147 -2.791 -1.516 332 HA ARG 41 HA ARG 41 8.882 -5.315 -0.341 333 HB2 ARG 41 HB2 ARG 41 9.742 -3.897 -2.685 334 HB3 ARG 41 HB3 ARG 41 11.088 -4.494 -1.727 335 HG2 ARG 41 HG2 ARG 41 10.219 -6.665 -1.727 336 HG3 ARG 41 HG3 ARG 41 8.747 -6.250 -2.532 337 HD2 ARG 41 HD2 ARG 41 11.549 -6.248 -3.563 338 HD3 ARG 41 HD3 ARG 41 10.146 -7.303 -3.961 339 HE ARG 41 HE ARG 41 9.504 -4.666 -4.609 340 HH11 ARG 41 HH11 ARG 41 11.658 -7.227 -5.754 341 HH12 ARG 41 HH12 ARG 41 11.583 -6.790 -7.391 342 HH21 ARG 41 HH21 ARG 41 9.398 -4.030 -6.911 343 HH22 ARG 41 HH22 ARG 41 10.275 -4.928 -8.051 344 H LEU 42 H LEU 42 10.523 -5.536 0.944 345 HA LEU 42 HA LEU 42 10.981 -3.270 2.697 346 HB2 LEU 42 HB2 LEU 42 11.984 -6.085 2.974 347 HB3 LEU 42 HB3 LEU 42 11.819 -4.880 4.217 348 HG LEU 42 HG LEU 42 9.490 -6.144 2.779 349 HD11 LEU 42 HD11 LEU 42 10.555 -6.617 5.538 350 HD12 LEU 42 HD12 LEU 42 10.578 -7.740 4.172 351 HD13 LEU 42 HD13 LEU 42 9.043 -7.257 4.880 352 HD21 LEU 42 HD21 LEU 42 9.559 -4.261 5.137 353 HD22 LEU 42 HD22 LEU 42 8.122 -5.055 4.491 354 HD23 LEU 42 HD23 LEU 42 8.992 -3.879 3.507 355 H LYS 43 H LYS 43 13.079 -2.669 3.344 356 HA LYS 43 HA LYS 43 15.023 -2.700 1.209 357 HB2 LYS 43 HB2 LYS 43 15.176 -1.479 3.965 358 HB3 LYS 43 HB3 LYS 43 16.296 -1.197 2.639 359 HG2 LYS 43 HG2 LYS 43 14.572 -0.150 1.353 360 HG3 LYS 43 HG3 LYS 43 13.367 -0.468 2.615 361 HD2 LYS 43 HD2 LYS 43 14.123 1.819 2.715 362 HD3 LYS 43 HD3 LYS 43 14.727 0.951 4.128 363 HE2 LYS 43 HE2 LYS 43 16.881 0.679 3.066 364 HE3 LYS 43 HE3 LYS 43 16.276 1.467 1.607 365 HZ1 LYS 43 HZ1 LYS 43 15.938 3.479 2.979 366 HZ2 LYS 43 HZ2 LYS 43 17.557 2.982 2.918 367 HZ3 LYS 43 HZ3 LYS 43 16.631 2.661 4.286 368 H ASN 44 H ASN 44 14.927 -3.682 4.601 369 HA ASN 44 HA ASN 44 17.583 -4.764 4.475 370 HB2 ASN 44 HB2 ASN 44 16.741 -3.686 6.508 371 HB3 ASN 44 HB3 ASN 44 15.511 -4.926 6.667 372 HD21 ASN 44 HD21 ASN 44 18.868 -5.527 5.709 373 HD22 ASN 44 HD22 ASN 44 19.282 -6.388 7.142 374 H ASN 45 H ASN 45 14.325 -6.053 4.519 375 HA ASN 45 HA ASN 45 15.425 -8.756 4.460 376 HB2 ASN 45 HB2 ASN 45 13.441 -8.264 5.999 377 HB3 ASN 45 HB3 ASN 45 12.505 -7.963 4.544 378 HD21 ASN 45 HD21 ASN 45 11.095 -9.537 5.432 379 HD22 ASN 45 HD22 ASN 45 11.456 -11.195 5.263 380 H ASN 46 H ASN 46 13.998 -6.431 2.294 381 HA ASN 46 HA ASN 46 13.631 -6.340 0.062 382 HB2 ASN 46 HB2 ASN 46 15.910 -7.291 -0.166 383 HB3 ASN 46 HB3 ASN 46 15.251 -8.915 -0.063 384 HD21 ASN 46 HD21 ASN 46 15.583 -6.071 -2.043 385 HD22 ASN 46 HD22 ASN 46 15.167 -6.820 -3.539 386 H ARG 47 H ARG 47 12.204 -8.449 1.932 387 HA ARG 47 HA ARG 47 10.696 -10.023 0.084 388 HB2 ARG 47 HB2 ARG 47 10.473 -9.407 2.997 389 HB3 ARG 47 HB3 ARG 47 9.115 -10.119 2.155 390 HG2 ARG 47 HG2 ARG 47 10.766 -11.531 3.437 391 HG3 ARG 47 HG3 ARG 47 10.248 -12.176 1.841 392 HD2 ARG 47 HD2 ARG 47 12.421 -11.124 1.047 393 HD3 ARG 47 HD3 ARG 47 12.786 -10.822 2.736 394 HE ARG 47 HE ARG 47 12.100 -13.525 2.349 395 HH11 ARG 47 HH11 ARG 47 14.790 -11.246 1.922 396 HH12 ARG 47 HH12 ARG 47 15.990 -12.453 1.940 397 HH21 ARG 47 HH21 ARG 47 13.776 -15.181 2.422 398 HH22 ARG 47 HH22 ARG 47 15.402 -14.715 2.271 399 H GLN 48 H GLN 48 8.793 -9.858 -0.740 400 HA GLN 48 HA GLN 48 7.773 -7.153 -0.926 401 HB2 GLN 48 HB2 GLN 48 8.460 -8.545 -2.938 402 HB3 GLN 48 HB3 GLN 48 7.117 -9.608 -2.548 403 HG2 GLN 48 HG2 GLN 48 5.627 -7.647 -2.743 404 HG3 GLN 48 HG3 GLN 48 7.005 -6.728 -3.282 405 HE21 GLN 48 HE21 GLN 48 4.781 -9.228 -4.110 406 HE22 GLN 48 HE22 GLN 48 5.184 -9.310 -5.780 407 H VAL 49 H VAL 49 6.066 -6.766 0.301 408 HA VAL 49 HA VAL 49 4.283 -8.981 1.011 409 HB VAL 49 HB VAL 49 3.936 -7.958 3.225 410 HG11 VAL 49 HG11 VAL 49 6.115 -8.468 4.238 411 HG12 VAL 49 HG12 VAL 49 6.840 -8.493 2.633 412 HG13 VAL 49 HG13 VAL 49 5.614 -9.688 3.068 413 HG21 VAL 49 HG21 VAL 49 4.418 -5.621 2.677 414 HG22 VAL 49 HG22 VAL 49 6.119 -6.017 2.430 415 HG23 VAL 49 HG23 VAL 49 5.402 -6.152 4.037 416 H CYS 50 H CYS 50 2.142 -8.066 1.793 417 HA CYS 50 HA CYS 50 1.446 -5.831 0.053 418 HB2 CYS 50 HB2 CYS 50 -0.501 -7.770 1.346 419 HB3 CYS 50 HB3 CYS 50 -0.779 -6.616 0.082 420 H ILE 51 H ILE 51 0.384 -4.110 0.920 421 HA ILE 51 HA ILE 51 0.469 -4.015 3.836 422 HB ILE 51 HB ILE 51 0.819 -1.694 1.920 423 HG12 ILE 51 HG12 ILE 51 2.683 -3.271 3.624 424 HG13 ILE 51 HG13 ILE 51 2.729 -3.061 1.899 425 HG21 ILE 51 HG21 ILE 51 -0.311 -0.980 3.982 426 HG22 ILE 51 HG22 ILE 51 1.333 -0.362 3.907 427 HG23 ILE 51 HG23 ILE 51 0.958 -1.744 4.928 428 HD11 ILE 51 HD11 ILE 51 3.252 -0.697 2.116 429 HD12 ILE 51 HD12 ILE 51 4.465 -1.689 2.928 430 HD13 ILE 51 HD13 ILE 51 3.234 -0.838 3.872 431 H ASP 52 H ASP 52 -1.118 -3.254 4.927 432 HA ASP 52 HA ASP 52 -3.725 -3.391 3.870 433 HB2 ASP 52 HB2 ASP 52 -3.155 -4.134 5.943 434 HB3 ASP 52 HB3 ASP 52 -2.585 -2.575 6.522 435 HA PRO 53 HA PRO 53 -3.786 0.830 2.556 436 HB2 PRO 53 HB2 PRO 53 -6.297 0.934 1.631 437 HB3 PRO 53 HB3 PRO 53 -5.028 0.010 0.817 438 HG2 PRO 53 HG2 PRO 53 -7.173 -0.952 2.664 439 HG3 PRO 53 HG3 PRO 53 -6.620 -1.659 1.136 440 HD2 PRO 53 HD2 PRO 53 -5.820 -2.560 3.587 441 HD3 PRO 53 HD3 PRO 53 -4.818 -2.684 2.125 442 H LYS 54 H LYS 54 -5.250 -0.158 5.386 443 HA LYS 54 HA LYS 54 -6.095 2.585 5.710 444 HB2 LYS 54 HB2 LYS 54 -7.902 1.914 7.395 445 HB3 LYS 54 HB3 LYS 54 -8.192 1.319 5.782 446 HG2 LYS 54 HG2 LYS 54 -6.954 -0.300 7.840 447 HG3 LYS 54 HG3 LYS 54 -8.717 -0.108 7.711 448 HD2 LYS 54 HD2 LYS 54 -8.333 -0.751 5.254 449 HD3 LYS 54 HD3 LYS 54 -6.754 -1.327 5.810 450 HE2 LYS 54 HE2 LYS 54 -7.975 -2.529 7.589 451 HE3 LYS 54 HE3 LYS 54 -9.421 -2.022 6.682 452 HZ1 LYS 54 HZ1 LYS 54 -8.721 -4.344 6.030 453 HZ2 LYS 54 HZ2 LYS 54 -7.225 -3.695 5.593 454 HZ3 LYS 54 HZ3 LYS 54 -8.626 -3.275 4.732 455 H LEU 55 H LEU 55 -3.618 0.882 6.392 456 HA LEU 55 HA LEU 55 -3.058 1.296 9.097 457 HB2 LEU 55 HB2 LEU 55 -1.353 1.431 6.643 458 HB3 LEU 55 HB3 LEU 55 -0.653 1.734 8.198 459 HG LEU 55 HG LEU 55 -1.916 -0.837 7.233 460 HD11 LEU 55 HD11 LEU 55 0.935 -0.102 7.887 461 HD12 LEU 55 HD12 LEU 55 0.279 -0.286 6.264 462 HD13 LEU 55 HD13 LEU 55 0.368 -1.684 7.348 463 HD21 LEU 55 HD21 LEU 55 -2.270 -0.571 9.631 464 HD22 LEU 55 HD22 LEU 55 -0.553 -0.183 9.824 465 HD23 LEU 55 HD23 LEU 55 -1.024 -1.787 9.292 466 H LYS 56 H LYS 56 -2.305 3.038 10.223 467 HA LYS 56 HA LYS 56 -3.393 5.506 9.421 468 HB2 LYS 56 HB2 LYS 56 -3.251 4.924 11.786 469 HB3 LYS 56 HB3 LYS 56 -1.502 5.000 11.729 470 HG2 LYS 56 HG2 LYS 56 -1.627 7.387 11.163 471 HG3 LYS 56 HG3 LYS 56 -3.383 7.306 11.255 472 HD2 LYS 56 HD2 LYS 56 -3.199 6.660 13.625 473 HD3 LYS 56 HD3 LYS 56 -1.442 6.786 13.509 474 HE2 LYS 56 HE2 LYS 56 -1.665 9.149 12.883 475 HE3 LYS 56 HE3 LYS 56 -3.413 9.022 13.046 476 HZ1 LYS 56 HZ1 LYS 56 -1.438 8.623 15.222 477 HZ2 LYS 56 HZ2 LYS 56 -3.108 8.521 15.395 478 HZ3 LYS 56 HZ3 LYS 56 -2.391 9.993 15.017 479 H TRP 57 H TRP 57 0.042 4.485 9.572 480 HA TRP 57 HA TRP 57 0.881 7.019 8.623 481 HB2 TRP 57 HB2 TRP 57 3.100 6.081 8.284 482 HB3 TRP 57 HB3 TRP 57 2.468 5.505 9.809 483 HD1 TRP 57 HD1 TRP 57 2.122 2.838 10.028 484 HE1 TRP 57 HE1 TRP 57 2.954 0.904 8.616 485 HE3 TRP 57 HE3 TRP 57 3.492 5.451 5.880 486 HZ2 TRP 57 HZ2 TRP 57 4.048 0.514 6.013 487 HZ3 TRP 57 HZ3 TRP 57 4.425 4.237 3.969 488 HH2 TRP 57 HH2 TRP 57 4.696 1.856 4.016 489 H ILE 58 H ILE 58 -0.362 4.242 7.079 490 HA ILE 58 HA ILE 58 0.401 4.962 4.437 491 HB ILE 58 HB ILE 58 -1.733 3.085 5.499 492 HG12 ILE 58 HG12 ILE 58 0.575 2.283 5.673 493 HG13 ILE 58 HG13 ILE 58 -0.322 1.312 4.536 494 HG21 ILE 58 HG21 ILE 58 -2.151 2.319 3.259 495 HG22 ILE 58 HG22 ILE 58 -1.054 3.564 2.636 496 HG23 ILE 58 HG23 ILE 58 -2.565 4.039 3.438 497 HD11 ILE 58 HD11 ILE 58 1.879 1.749 3.686 498 HD12 ILE 58 HD12 ILE 58 1.620 3.487 3.807 499 HD13 ILE 58 HD13 ILE 58 0.666 2.538 2.672 500 H GLN 59 H GLN 59 -2.234 5.776 6.570 501 HA GLN 59 HA GLN 59 -3.775 7.088 4.584 502 HB2 GLN 59 HB2 GLN 59 -3.743 7.603 7.562 503 HB3 GLN 59 HB3 GLN 59 -4.978 8.154 6.435 504 HG2 GLN 59 HG2 GLN 59 -4.362 5.315 7.218 505 HG3 GLN 59 HG3 GLN 59 -5.802 6.251 7.615 506 HE21 GLN 59 HE21 GLN 59 -4.114 4.517 5.182 507 HE22 GLN 59 HE22 GLN 59 -5.407 4.379 4.048 508 H GLU 60 H GLU 60 -1.280 8.101 6.821 509 HA GLU 60 HA GLU 60 -1.129 10.850 6.206 510 HB2 GLU 60 HB2 GLU 60 1.177 8.937 6.695 511 HB3 GLU 60 HB3 GLU 60 1.229 10.681 6.876 512 HG2 GLU 60 HG2 GLU 60 -0.460 8.831 8.536 513 HG3 GLU 60 HG3 GLU 60 1.128 9.441 8.996 514 H TYR 61 H TYR 61 0.493 8.066 4.767 515 HA TYR 61 HA TYR 61 1.902 9.174 2.665 516 HB2 TYR 61 HB2 TYR 61 2.107 6.763 3.251 517 HB3 TYR 61 HB3 TYR 61 0.448 6.537 2.857 518 HD1 TYR 61 HD1 TYR 61 3.489 7.834 1.073 519 HD2 TYR 61 HD2 TYR 61 -0.053 5.506 0.959 520 HE1 TYR 61 HE1 TYR 61 3.977 7.207 -1.269 521 HE2 TYR 61 HE2 TYR 61 0.368 4.887 -1.323 522 HH TYR 61 HH TYR 61 3.405 5.436 -2.839 523 H LEU 62 H LEU 62 -1.388 7.941 2.601 524 HA LEU 62 HA LEU 62 -1.803 8.681 -0.079 525 HB2 LEU 62 HB2 LEU 62 -3.564 7.605 2.033 526 HB3 LEU 62 HB3 LEU 62 -4.154 7.989 0.415 527 HG LEU 62 HG LEU 62 -1.720 6.310 0.744 528 HD11 LEU 62 HD11 LEU 62 -3.018 4.401 0.555 529 HD12 LEU 62 HD12 LEU 62 -4.540 5.346 0.707 530 HD13 LEU 62 HD13 LEU 62 -3.327 5.319 2.045 531 HD21 LEU 62 HD21 LEU 62 -2.187 7.191 -1.458 532 HD22 LEU 62 HD22 LEU 62 -3.822 6.521 -1.370 533 HD23 LEU 62 HD23 LEU 62 -2.434 5.439 -1.408 534 H GLU 63 H GLU 63 -2.842 10.126 2.962 535 HA GLU 63 HA GLU 63 -4.306 12.193 1.764 536 HB2 GLU 63 HB2 GLU 63 -2.806 12.045 4.341 537 HB3 GLU 63 HB3 GLU 63 -3.627 13.522 3.946 538 HG2 GLU 63 HG2 GLU 63 -5.729 12.101 3.711 539 HG3 GLU 63 HG3 GLU 63 -4.784 10.787 4.407 540 H LYS 64 H LYS 64 -0.907 11.887 2.395 541 HA LYS 64 HA LYS 64 0.011 14.398 1.591 542 HB2 LYS 64 HB2 LYS 64 1.457 12.792 2.615 543 HB3 LYS 64 HB3 LYS 64 1.203 11.652 1.303 544 HG2 LYS 64 HG2 LYS 64 3.247 12.524 0.893 545 HG3 LYS 64 HG3 LYS 64 2.192 13.342 -0.203 546 HD2 LYS 64 HD2 LYS 64 1.982 15.291 1.283 547 HD3 LYS 64 HD3 LYS 64 3.105 14.538 2.407 548 HE2 LYS 64 HE2 LYS 64 4.842 14.556 0.687 549 HE3 LYS 64 HE3 LYS 64 3.721 15.323 -0.432 550 HZ1 LYS 64 HZ1 LYS 64 4.681 16.496 2.127 551 HZ2 LYS 64 HZ2 LYS 64 3.603 17.244 1.066 552 HZ3 LYS 64 HZ3 LYS 64 5.184 16.950 0.597 553 H ALA 65 H ALA 65 0.145 11.450 -0.282 554 HA ALA 65 HA ALA 65 0.651 12.475 -2.806 555 HB1 ALA 65 HB1 ALA 65 -0.093 10.365 -3.719 556 HB2 ALA 65 HB2 ALA 65 -0.947 10.001 -2.222 557 HB3 ALA 65 HB3 ALA 65 0.817 10.095 -2.227 558 H LEU 66 H LEU 66 -2.516 12.042 -1.289 559 HA LEU 66 HA LEU 66 -3.893 12.735 -3.672 560 HB2 LEU 66 HB2 LEU 66 -4.804 12.478 -0.830 561 HB3 LEU 66 HB3 LEU 66 -5.920 12.908 -2.128 562 HG LEU 66 HG LEU 66 -4.376 10.329 -1.804 563 HD11 LEU 66 HD11 LEU 66 -7.317 10.932 -1.585 564 HD12 LEU 66 HD12 LEU 66 -6.226 10.540 -0.253 565 HD13 LEU 66 HD13 LEU 66 -6.584 9.332 -1.487 566 HD21 LEU 66 HD21 LEU 66 -6.328 11.156 -3.955 567 HD22 LEU 66 HD22 LEU 66 -5.673 9.534 -3.740 568 HD23 LEU 66 HD23 LEU 66 -4.603 10.867 -4.171 569 H ASN 67 H ASN 67 -2.731 14.544 -0.903 570 HA ASN 67 HA ASN 67 -4.081 16.950 -1.791 571 HB2 ASN 67 HB2 ASN 67 -2.118 16.495 0.471 572 HB3 ASN 67 HB3 ASN 67 -2.783 18.070 0.062 573 HD21 ASN 67 HD21 ASN 67 -3.021 16.481 2.504 574 HD22 ASN 67 HD22 ASN 67 -4.708 16.272 2.772 575 H LYS 68 H LYS 68 -1.268 15.360 -2.533 576 HA LYS 68 HA LYS 68 0.474 17.454 -3.230 577 HB2 LYS 68 HB2 LYS 68 1.224 15.156 -3.033 578 HB3 LYS 68 HB3 LYS 68 0.196 14.682 -4.376 579 HG2 LYS 68 HG2 LYS 68 1.527 16.022 -5.889 580 HG3 LYS 68 HG3 LYS 68 2.532 16.569 -4.545 581 HD2 LYS 68 HD2 LYS 68 3.249 14.346 -4.108 582 HD3 LYS 68 HD3 LYS 68 2.174 13.699 -5.354 583 HE2 LYS 68 HE2 LYS 68 4.488 15.590 -5.842 584 HE3 LYS 68 HE3 LYS 68 4.538 13.853 -6.118 585 HZ1 LYS 68 HZ1 LYS 68 2.773 15.790 -7.548 586 HZ2 LYS 68 HZ2 LYS 68 2.785 14.115 -7.761 587 HZ3 LYS 68 HZ3 LYS 68 4.139 15.023 -8.158 Start of MODEL 15 1 H LYS 1 H LYS 1 -2.668 -27.453 -3.449 2 HA LYS 1 HA LYS 1 -4.399 -28.387 -1.256 3 HB2 LYS 1 HB2 LYS 1 -3.813 -26.186 -0.169 4 HB3 LYS 1 HB3 LYS 1 -2.366 -27.161 -0.410 5 HG2 LYS 1 HG2 LYS 1 -1.822 -25.823 -2.303 6 HG3 LYS 1 HG3 LYS 1 -3.300 -24.877 -2.072 7 HD2 LYS 1 HD2 LYS 1 -2.518 -24.269 0.179 8 HD3 LYS 1 HD3 LYS 1 -1.029 -25.175 -0.119 9 HE2 LYS 1 HE2 LYS 1 -0.594 -23.820 -2.023 10 HE3 LYS 1 HE3 LYS 1 -2.068 -22.892 -1.690 11 HZ1 LYS 1 HZ1 LYS 1 -1.081 -22.123 0.398 12 HZ2 LYS 1 HZ2 LYS 1 -0.057 -21.752 -0.874 13 HZ3 LYS 1 HZ3 LYS 1 0.309 -23.053 0.127 14 HA PRO 2 HA PRO 2 -7.496 -26.014 -3.448 15 HB2 PRO 2 HB2 PRO 2 -8.540 -24.927 -0.925 16 HB3 PRO 2 HB3 PRO 2 -9.316 -26.054 -2.038 17 HG2 PRO 2 HG2 PRO 2 -8.449 -26.806 0.411 18 HG3 PRO 2 HG3 PRO 2 -8.458 -27.905 -0.978 19 HD2 PRO 2 HD2 PRO 2 -6.181 -26.385 0.221 20 HD3 PRO 2 HD3 PRO 2 -6.221 -28.050 -0.401 21 H VAL 3 H VAL 3 -6.602 -24.301 -4.441 22 HA VAL 3 HA VAL 3 -5.265 -22.297 -2.891 23 HB VAL 3 HB VAL 3 -4.250 -23.051 -4.982 24 HG11 VAL 3 HG11 VAL 3 -6.202 -23.516 -6.321 25 HG12 VAL 3 HG12 VAL 3 -5.146 -22.393 -7.175 26 HG13 VAL 3 HG13 VAL 3 -6.603 -21.802 -6.379 27 HG21 VAL 3 HG21 VAL 3 -3.710 -20.851 -5.958 28 HG22 VAL 3 HG22 VAL 3 -3.668 -20.843 -4.195 29 HG23 VAL 3 HG23 VAL 3 -5.044 -20.144 -5.047 30 H SER 4 H SER 4 -6.058 -20.483 -2.196 31 HA SER 4 HA SER 4 -8.590 -19.562 -3.296 32 HB2 SER 4 HB2 SER 4 -8.673 -18.273 -1.102 33 HB3 SER 4 HB3 SER 4 -8.875 -20.026 -1.004 34 HG SER 4 HG SER 4 -7.280 -18.711 0.390 35 H LEU 5 H LEU 5 -5.407 -18.672 -2.488 36 HA LEU 5 HA LEU 5 -5.793 -16.067 -3.739 37 HB2 LEU 5 HB2 LEU 5 -4.562 -16.013 -1.621 38 HB3 LEU 5 HB3 LEU 5 -3.399 -17.162 -2.243 39 HG LEU 5 HG LEU 5 -2.591 -15.474 -3.847 40 HD11 LEU 5 HD11 LEU 5 -4.639 -14.204 -4.157 41 HD12 LEU 5 HD12 LEU 5 -3.317 -13.151 -3.652 42 HD13 LEU 5 HD13 LEU 5 -4.548 -13.639 -2.486 43 HD21 LEU 5 HD21 LEU 5 -1.528 -15.676 -1.665 44 HD22 LEU 5 HD22 LEU 5 -2.675 -14.518 -0.988 45 HD23 LEU 5 HD23 LEU 5 -1.519 -14.003 -2.219 46 H SER 6 H SER 6 -6.143 -16.881 -5.744 47 HA SER 6 HA SER 6 -4.130 -18.480 -7.075 48 HB2 SER 6 HB2 SER 6 -6.690 -17.298 -8.144 49 HB3 SER 6 HB3 SER 6 -5.764 -18.638 -8.817 50 HG SER 6 HG SER 6 -6.986 -19.847 -7.612 51 H TYR 7 H TYR 7 -4.192 -15.382 -6.264 52 HA TYR 7 HA TYR 7 -3.482 -13.547 -6.858 53 HB2 TYR 7 HB2 TYR 7 -1.756 -15.227 -8.612 54 HB3 TYR 7 HB3 TYR 7 -1.701 -13.454 -8.557 55 HD1 TYR 7 HD1 TYR 7 -0.961 -12.259 -6.602 56 HD2 TYR 7 HD2 TYR 7 -0.977 -16.516 -6.632 57 HE1 TYR 7 HE1 TYR 7 0.426 -12.265 -4.574 58 HE2 TYR 7 HE2 TYR 7 0.416 -16.524 -4.589 59 HH TYR 7 HH TYR 7 0.937 -13.722 -2.715 60 H ARG 8 H ARG 8 -5.891 -14.527 -8.325 61 HA ARG 8 HA ARG 8 -5.865 -12.748 -10.603 62 HB2 ARG 8 HB2 ARG 8 -8.312 -12.899 -10.632 63 HB3 ARG 8 HB3 ARG 8 -7.659 -14.508 -10.384 64 HG2 ARG 8 HG2 ARG 8 -8.177 -14.417 -8.055 65 HG3 ARG 8 HG3 ARG 8 -8.674 -12.728 -8.197 66 HD2 ARG 8 HD2 ARG 8 -10.592 -14.324 -8.130 67 HD3 ARG 8 HD3 ARG 8 -10.543 -13.350 -9.599 68 HE ARG 8 HE ARG 8 -9.296 -15.450 -10.479 69 HH11 ARG 8 HH11 ARG 8 -12.133 -15.442 -8.370 70 HH12 ARG 8 HH12 ARG 8 -12.719 -16.926 -8.958 71 HH21 ARG 8 HH21 ARG 8 -10.106 -17.427 -11.277 72 HH22 ARG 8 HH22 ARG 8 -11.541 -18.099 -10.624 73 H CYS 9 H CYS 9 -6.215 -12.643 -7.233 74 HA CYS 9 HA CYS 9 -6.528 -9.761 -7.318 75 HB2 CYS 9 HB2 CYS 9 -6.751 -11.710 -5.012 76 HB3 CYS 9 HB3 CYS 9 -7.008 -9.974 -4.914 77 HA PRO 10 HA PRO 10 -2.116 -9.824 -6.502 78 HB2 PRO 10 HB2 PRO 10 -2.759 -7.127 -5.364 79 HB3 PRO 10 HB3 PRO 10 -1.566 -7.592 -6.590 80 HG2 PRO 10 HG2 PRO 10 -3.804 -6.379 -7.267 81 HG3 PRO 10 HG3 PRO 10 -3.157 -7.704 -8.255 82 HD2 PRO 10 HD2 PRO 10 -5.404 -7.743 -6.280 83 HD3 PRO 10 HD3 PRO 10 -5.279 -8.491 -7.886 84 H CYS 11 H CYS 11 -4.359 -8.633 -3.963 85 HA CYS 11 HA CYS 11 -2.611 -9.957 -2.057 86 HB2 CYS 11 HB2 CYS 11 -3.519 -7.119 -1.882 87 HB3 CYS 11 HB3 CYS 11 -2.912 -8.019 -0.502 88 H ARG 12 H ARG 12 -3.519 -11.086 -0.608 89 HA ARG 12 HA ARG 12 -6.252 -10.480 0.230 90 HB2 ARG 12 HB2 ARG 12 -4.993 -13.201 -0.160 91 HB3 ARG 12 HB3 ARG 12 -6.432 -12.957 0.816 92 HG2 ARG 12 HG2 ARG 12 -6.181 -12.318 -2.118 93 HG3 ARG 12 HG3 ARG 12 -6.988 -13.732 -1.430 94 HD2 ARG 12 HD2 ARG 12 -8.495 -12.227 -0.206 95 HD3 ARG 12 HD3 ARG 12 -7.750 -10.841 -0.998 96 HE ARG 12 HE ARG 12 -8.748 -12.805 -2.800 97 HH11 ARG 12 HH11 ARG 12 -9.555 -9.914 -0.922 98 HH12 ARG 12 HH12 ARG 12 -10.983 -9.567 -1.774 99 HH21 ARG 12 HH21 ARG 12 -10.738 -12.317 -3.989 100 HH22 ARG 12 HH22 ARG 12 -11.686 -10.975 -3.530 101 H PHE 13 H PHE 13 -3.044 -11.589 1.144 102 HA PHE 13 HA PHE 13 -3.745 -11.227 3.955 103 HB2 PHE 13 HB2 PHE 13 -1.168 -12.182 2.676 104 HB3 PHE 13 HB3 PHE 13 -1.513 -12.152 4.394 105 HD1 PHE 13 HD1 PHE 13 -3.089 -13.750 5.372 106 HD2 PHE 13 HD2 PHE 13 -2.021 -13.885 1.261 107 HE1 PHE 13 HE1 PHE 13 -3.983 -16.036 5.218 108 HE2 PHE 13 HE2 PHE 13 -2.906 -16.152 1.090 109 HZ PHE 13 HZ PHE 13 -3.894 -17.247 3.077 110 H PHE 14 H PHE 14 -3.293 -9.335 4.884 111 HA PHE 14 HA PHE 14 -1.281 -7.526 3.676 112 HB2 PHE 14 HB2 PHE 14 -3.874 -6.886 5.044 113 HB3 PHE 14 HB3 PHE 14 -2.694 -5.678 4.564 114 HD1 PHE 14 HD1 PHE 14 -5.139 -8.168 3.359 115 HD2 PHE 14 HD2 PHE 14 -2.707 -4.843 2.352 116 HE1 PHE 14 HE1 PHE 14 -6.338 -7.942 1.235 117 HE2 PHE 14 HE2 PHE 14 -3.867 -4.604 0.249 118 HZ PHE 14 HZ PHE 14 -5.707 -6.157 -0.341 119 H GLU 15 H GLU 15 0.034 -6.476 5.107 120 HA GLU 15 HA GLU 15 0.067 -7.628 7.713 121 HB2 GLU 15 HB2 GLU 15 2.085 -7.601 6.275 122 HB3 GLU 15 HB3 GLU 15 2.051 -5.852 6.286 123 HG2 GLU 15 HG2 GLU 15 2.457 -5.762 8.589 124 HG3 GLU 15 HG3 GLU 15 2.194 -7.508 8.731 125 H SER 16 H SER 16 -0.730 -6.519 9.419 126 HA SER 16 HA SER 16 -1.677 -3.817 8.946 127 HB2 SER 16 HB2 SER 16 -2.996 -4.236 11.034 128 HB3 SER 16 HB3 SER 16 -3.335 -5.358 9.716 129 HG SER 16 HG SER 16 -3.054 -6.688 11.319 130 H HIS 17 H HIS 17 1.154 -4.789 9.837 131 HA HIS 17 HA HIS 17 1.603 -2.460 11.500 132 HB2 HIS 17 HB2 HIS 17 1.121 -4.274 13.151 133 HB3 HIS 17 HB3 HIS 17 2.461 -5.194 12.471 134 HD1 HIS 17 HD1 HIS 17 4.680 -4.754 13.442 135 HD2 HIS 17 HD2 HIS 17 1.985 -1.759 14.359 136 HE1 HIS 17 HE1 HIS 17 5.878 -3.230 15.014 137 HE2 HIS 17 HE2 HIS 17 4.135 -1.578 15.747 138 H VAL 18 H VAL 18 2.699 -1.626 9.885 139 HA VAL 18 HA VAL 18 5.131 -3.042 9.068 140 HB VAL 18 HB VAL 18 3.478 -1.151 7.376 141 HG11 VAL 18 HG11 VAL 18 4.874 -1.925 5.488 142 HG12 VAL 18 HG12 VAL 18 5.840 -2.863 6.626 143 HG13 VAL 18 HG13 VAL 18 5.809 -1.107 6.739 144 HG21 VAL 18 HG21 VAL 18 2.252 -3.218 7.693 145 HG22 VAL 18 HG22 VAL 18 3.657 -4.152 7.181 146 HG23 VAL 18 HG23 VAL 18 2.829 -3.104 6.030 147 H ALA 19 H ALA 19 6.998 -1.510 8.617 148 HA ALA 19 HA ALA 19 6.646 0.973 10.098 149 HB1 ALA 19 HB1 ALA 19 9.079 0.890 10.369 150 HB2 ALA 19 HB2 ALA 19 9.120 -0.624 9.475 151 HB3 ALA 19 HB3 ALA 19 8.305 -0.552 11.037 152 H ARG 20 H ARG 20 7.088 2.851 9.129 153 HA ARG 20 HA ARG 20 7.123 3.098 6.335 154 HB2 ARG 20 HB2 ARG 20 6.338 4.920 7.708 155 HB3 ARG 20 HB3 ARG 20 7.881 5.050 8.523 156 HG2 ARG 20 HG2 ARG 20 7.583 6.877 6.968 157 HG3 ARG 20 HG3 ARG 20 8.908 5.845 6.433 158 HD2 ARG 20 HD2 ARG 20 7.344 4.753 4.848 159 HD3 ARG 20 HD3 ARG 20 6.089 5.878 5.358 160 HE ARG 20 HE ARG 20 8.370 7.297 4.575 161 HH11 ARG 20 HH11 ARG 20 5.665 5.522 3.169 162 HH12 ARG 20 HH12 ARG 20 5.824 6.244 1.619 163 HH21 ARG 20 HH21 ARG 20 8.560 8.266 2.482 164 HH22 ARG 20 HH22 ARG 20 7.489 7.826 1.223 165 H ALA 21 H ALA 21 9.679 2.785 8.661 166 HA ALA 21 HA ALA 21 11.753 3.549 6.831 167 HB1 ALA 21 HB1 ALA 21 11.916 4.067 9.213 168 HB2 ALA 21 HB2 ALA 21 13.283 3.110 8.640 169 HB3 ALA 21 HB3 ALA 21 12.000 2.343 9.574 170 H ASN 22 H ASN 22 10.096 0.493 7.359 171 HA ASN 22 HA ASN 22 12.513 -0.894 6.652 172 HB2 ASN 22 HB2 ASN 22 11.567 -2.846 7.495 173 HB3 ASN 22 HB3 ASN 22 10.923 -1.636 8.557 174 HD21 ASN 22 HD21 ASN 22 10.292 -4.161 6.484 175 HD22 ASN 22 HD22 ASN 22 8.569 -4.084 6.546 176 H VAL 23 H VAL 23 9.693 0.336 5.124 177 HA VAL 23 HA VAL 23 9.938 -1.459 2.894 178 HB VAL 23 HB VAL 23 8.064 -0.129 1.979 179 HG11 VAL 23 HG11 VAL 23 6.357 -1.100 3.499 180 HG12 VAL 23 HG12 VAL 23 7.650 -1.461 4.654 181 HG13 VAL 23 HG13 VAL 23 7.644 -2.223 3.064 182 HG21 VAL 23 HG21 VAL 23 6.758 1.294 3.496 183 HG22 VAL 23 HG22 VAL 23 8.375 1.935 3.200 184 HG23 VAL 23 HG23 VAL 23 8.016 1.118 4.722 185 H LYS 24 H LYS 24 10.495 -0.826 0.859 186 HA LYS 24 HA LYS 24 12.022 1.705 0.647 187 HB2 LYS 24 HB2 LYS 24 12.964 0.777 -1.385 188 HB3 LYS 24 HB3 LYS 24 13.279 -0.285 -0.029 189 HG2 LYS 24 HG2 LYS 24 11.750 -1.893 -0.767 190 HG3 LYS 24 HG3 LYS 24 10.941 -0.760 -1.839 191 HD2 LYS 24 HD2 LYS 24 13.732 -1.876 -2.219 192 HD3 LYS 24 HD3 LYS 24 12.261 -2.368 -3.080 193 HE2 LYS 24 HE2 LYS 24 12.004 -0.005 -3.829 194 HE3 LYS 24 HE3 LYS 24 13.542 0.354 -3.163 195 HZ1 LYS 24 HZ1 LYS 24 13.826 -0.141 -5.506 196 HZ2 LYS 24 HZ2 LYS 24 13.112 -1.649 -5.302 197 HZ3 LYS 24 HZ3 LYS 24 14.589 -1.312 -4.588 198 H HIS 25 H HIS 25 9.331 -0.015 -0.686 199 HA HIS 25 HA HIS 25 8.697 2.255 -2.379 200 HB2 HIS 25 HB2 HIS 25 10.307 1.045 -3.656 201 HB3 HIS 25 HB3 HIS 25 9.505 -0.463 -3.337 202 HD1 HIS 25 HD1 HIS 25 8.048 2.764 -4.901 203 HD2 HIS 25 HD2 HIS 25 8.770 -1.234 -5.633 204 HE1 HIS 25 HE1 HIS 25 6.977 2.318 -7.120 205 HE2 HIS 25 HE2 HIS 25 7.833 0.054 -7.697 206 H LEU 26 H LEU 26 6.646 2.566 -2.129 207 HA LEU 26 HA LEU 26 4.831 0.367 -1.507 208 HB2 LEU 26 HB2 LEU 26 4.402 3.363 -1.536 209 HB3 LEU 26 HB3 LEU 26 3.182 2.195 -1.102 210 HG LEU 26 HG LEU 26 3.935 3.212 0.888 211 HD11 LEU 26 HD11 LEU 26 5.182 0.516 0.684 212 HD12 LEU 26 HD12 LEU 26 3.515 0.901 1.112 213 HD13 LEU 26 HD13 LEU 26 4.842 1.386 2.177 214 HD21 LEU 26 HD21 LEU 26 6.769 2.542 0.091 215 HD22 LEU 26 HD22 LEU 26 6.280 3.232 1.639 216 HD23 LEU 26 HD23 LEU 26 6.052 4.152 0.155 217 H LYS 27 H LYS 27 3.378 -0.296 -3.004 218 HA LYS 27 HA LYS 27 2.905 1.373 -5.347 219 HB2 LYS 27 HB2 LYS 27 4.807 -0.502 -5.549 220 HB3 LYS 27 HB3 LYS 27 3.443 -1.549 -5.661 221 HG2 LYS 27 HG2 LYS 27 3.851 0.772 -7.538 222 HG3 LYS 27 HG3 LYS 27 4.391 -0.865 -7.868 223 HD2 LYS 27 HD2 LYS 27 1.538 -0.031 -7.366 224 HD3 LYS 27 HD3 LYS 27 2.249 -0.311 -8.959 225 HE2 LYS 27 HE2 LYS 27 2.748 -2.630 -8.271 226 HE3 LYS 27 HE3 LYS 27 1.938 -2.320 -6.741 227 HZ1 LYS 27 HZ1 LYS 27 0.526 -3.422 -8.352 228 HZ2 LYS 27 HZ2 LYS 27 0.714 -2.145 -9.413 229 HZ3 LYS 27 HZ3 LYS 27 -0.092 -1.868 -7.956 230 H ILE 28 H ILE 28 0.809 1.628 -4.925 231 HA ILE 28 HA ILE 28 -0.713 -0.572 -3.808 232 HB ILE 28 HB ILE 28 -1.751 2.218 -4.453 233 HG12 ILE 28 HG12 ILE 28 -0.655 1.087 -1.888 234 HG13 ILE 28 HG13 ILE 28 0.106 2.343 -2.852 235 HG21 ILE 28 HG21 ILE 28 -3.467 0.460 -4.184 236 HG22 ILE 28 HG22 ILE 28 -3.509 1.629 -2.857 237 HG23 ILE 28 HG23 ILE 28 -2.763 0.053 -2.613 238 HD11 ILE 28 HD11 ILE 28 -1.029 3.239 -0.866 239 HD12 ILE 28 HD12 ILE 28 -2.552 2.582 -1.444 240 HD13 ILE 28 HD13 ILE 28 -1.734 3.855 -2.361 241 H LEU 29 H LEU 29 -2.220 -1.726 -4.881 242 HA LEU 29 HA LEU 29 -2.591 -1.118 -7.710 243 HB2 LEU 29 HB2 LEU 29 -1.180 -3.113 -7.283 244 HB3 LEU 29 HB3 LEU 29 -2.489 -3.778 -6.332 245 HG LEU 29 HG LEU 29 -3.779 -4.305 -8.208 246 HD11 LEU 29 HD11 LEU 29 -3.494 -2.112 -9.414 247 HD12 LEU 29 HD12 LEU 29 -3.256 -3.494 -10.483 248 HD13 LEU 29 HD13 LEU 29 -1.861 -2.615 -9.862 249 HD21 LEU 29 HD21 LEU 29 -0.913 -4.653 -9.040 250 HD22 LEU 29 HD22 LEU 29 -2.292 -5.582 -9.621 251 HD23 LEU 29 HD23 LEU 29 -1.794 -5.701 -7.931 252 H ASN 30 H ASN 30 -4.642 -0.998 -8.437 253 HA ASN 30 HA ASN 30 -6.765 -1.752 -6.574 254 HB2 ASN 30 HB2 ASN 30 -8.215 -0.091 -7.702 255 HB3 ASN 30 HB3 ASN 30 -6.777 0.672 -7.050 256 HD21 ASN 30 HD21 ASN 30 -5.208 1.458 -8.495 257 HD22 ASN 30 HD22 ASN 30 -5.546 1.746 -10.152 258 H THR 31 H THR 31 -8.034 -3.371 -7.146 259 HA THR 31 HA THR 31 -8.039 -4.205 -9.970 260 HB THR 31 HB THR 31 -8.299 -5.964 -7.537 261 HG1 THR 31 HG1 THR 31 -5.981 -5.612 -9.197 262 HG21 THR 31 HG21 THR 31 -7.818 -7.809 -9.098 263 HG22 THR 31 HG22 THR 31 -7.700 -6.645 -10.420 264 HG23 THR 31 HG23 THR 31 -9.239 -6.888 -9.604 265 HA PRO 32 HA PRO 32 -12.395 -3.283 -10.185 266 HB2 PRO 32 HB2 PRO 32 -12.486 -6.133 -11.081 267 HB3 PRO 32 HB3 PRO 32 -13.347 -4.727 -11.724 268 HG2 PRO 32 HG2 PRO 32 -11.126 -5.594 -12.905 269 HG3 PRO 32 HG3 PRO 32 -11.469 -3.862 -12.751 270 HD2 PRO 32 HD2 PRO 32 -9.437 -5.497 -11.369 271 HD3 PRO 32 HD3 PRO 32 -9.485 -3.746 -11.635 272 H ASN 33 H ASN 33 -11.894 -6.624 -8.911 273 HA ASN 33 HA ASN 33 -14.163 -6.081 -7.103 274 HB2 ASN 33 HB2 ASN 33 -13.216 -8.812 -8.022 275 HB3 ASN 33 HB3 ASN 33 -14.573 -8.480 -6.966 276 HD21 ASN 33 HD21 ASN 33 -13.410 -8.469 -10.208 277 HD22 ASN 33 HD22 ASN 33 -14.926 -8.183 -10.966 278 H CYS 34 H CYS 34 -10.860 -7.021 -7.299 279 HA CYS 34 HA CYS 34 -10.784 -8.060 -4.625 280 HB2 CYS 34 HB2 CYS 34 -8.389 -7.319 -6.324 281 HB3 CYS 34 HB3 CYS 34 -8.464 -8.432 -4.983 282 H ALA 35 H ALA 35 -10.828 -4.988 -5.966 283 HA ALA 35 HA ALA 35 -11.004 -2.988 -5.038 284 HB1 ALA 35 HB1 ALA 35 -10.519 -4.357 -2.411 285 HB2 ALA 35 HB2 ALA 35 -12.072 -4.204 -3.231 286 HB3 ALA 35 HB3 ALA 35 -11.241 -2.750 -2.642 287 H LEU 36 H LEU 36 -9.595 -1.702 -2.878 288 HA LEU 36 HA LEU 36 -7.229 -1.058 -4.146 289 HB2 LEU 36 HB2 LEU 36 -8.769 0.481 -3.053 290 HB3 LEU 36 HB3 LEU 36 -8.544 -0.360 -1.533 291 HG LEU 36 HG LEU 36 -6.280 0.120 -1.655 292 HD11 LEU 36 HD11 LEU 36 -7.100 1.984 -3.923 293 HD12 LEU 36 HD12 LEU 36 -5.935 0.663 -4.010 294 HD13 LEU 36 HD13 LEU 36 -5.543 2.125 -3.111 295 HD21 LEU 36 HD21 LEU 36 -6.470 2.514 -0.895 296 HD22 LEU 36 HD22 LEU 36 -7.642 1.404 -0.195 297 HD23 LEU 36 HD23 LEU 36 -8.128 2.487 -1.499 298 H GLN 37 H GLN 37 -5.358 -2.133 -3.817 299 HA GLN 37 HA GLN 37 -4.904 -3.659 -1.330 300 HB2 GLN 37 HB2 GLN 37 -4.303 -4.406 -4.185 301 HB3 GLN 37 HB3 GLN 37 -3.866 -5.352 -2.768 302 HG2 GLN 37 HG2 GLN 37 -6.031 -5.912 -2.312 303 HG3 GLN 37 HG3 GLN 37 -6.714 -4.618 -3.307 304 HE21 GLN 37 HE21 GLN 37 -6.711 -4.864 -5.448 305 HE22 GLN 37 HE22 GLN 37 -6.549 -6.355 -6.284 306 H ILE 38 H ILE 38 -2.927 -3.067 -0.446 307 HA ILE 38 HA ILE 38 -1.185 -1.395 -2.100 308 HB ILE 38 HB ILE 38 -1.184 -1.902 0.849 309 HG12 ILE 38 HG12 ILE 38 -2.143 0.532 -0.663 310 HG13 ILE 38 HG13 ILE 38 -3.157 -0.668 0.122 311 HG21 ILE 38 HG21 ILE 38 1.046 -1.330 0.142 312 HG22 ILE 38 HG22 ILE 38 0.369 0.085 0.959 313 HG23 ILE 38 HG23 ILE 38 0.470 0.040 -0.793 314 HD11 ILE 38 HD11 ILE 38 -2.290 -0.058 2.267 315 HD12 ILE 38 HD12 ILE 38 -2.904 1.365 1.393 316 HD13 ILE 38 HD13 ILE 38 -1.167 1.084 1.486 317 H VAL 39 H VAL 39 0.743 -2.146 -2.782 318 HA VAL 39 HA VAL 39 1.817 -4.594 -1.573 319 HB VAL 39 HB VAL 39 2.259 -3.411 -4.345 320 HG11 VAL 39 HG11 VAL 39 4.212 -4.560 -3.584 321 HG12 VAL 39 HG12 VAL 39 3.433 -5.483 -4.867 322 HG13 VAL 39 HG13 VAL 39 3.269 -5.997 -3.187 323 HG21 VAL 39 HG21 VAL 39 1.028 -5.358 -5.206 324 HG22 VAL 39 HG22 VAL 39 0.020 -4.354 -4.162 325 HG23 VAL 39 HG23 VAL 39 0.690 -5.867 -3.552 326 H ALA 40 H ALA 40 3.847 -4.446 -0.727 327 HA ALA 40 HA ALA 40 5.420 -2.064 -1.346 328 HB1 ALA 40 HB1 ALA 40 5.876 -1.700 1.006 329 HB2 ALA 40 HB2 ALA 40 4.752 -2.991 1.422 330 HB3 ALA 40 HB3 ALA 40 4.153 -1.534 0.638 331 H ARG 41 H ARG 41 7.553 -2.542 -1.535 332 HA ARG 41 HA ARG 41 8.337 -5.052 -0.394 333 HB2 ARG 41 HB2 ARG 41 8.951 -3.776 -2.863 334 HB3 ARG 41 HB3 ARG 41 10.403 -4.351 -2.040 335 HG2 ARG 41 HG2 ARG 41 9.410 -6.507 -1.743 336 HG3 ARG 41 HG3 ARG 41 7.931 -6.039 -2.521 337 HD2 ARG 41 HD2 ARG 41 10.650 -6.176 -3.700 338 HD3 ARG 41 HD3 ARG 41 9.310 -7.360 -3.839 339 HE ARG 41 HE ARG 41 8.414 -4.912 -4.785 340 HH11 ARG 41 HH11 ARG 41 10.792 -7.379 -5.658 341 HH12 ARG 41 HH12 ARG 41 10.662 -7.137 -7.336 342 HH21 ARG 41 HH21 ARG 41 8.208 -4.589 -7.119 343 HH22 ARG 41 HH22 ARG 41 9.157 -5.512 -8.182 344 H LEU 42 H LEU 42 10.140 -5.326 0.689 345 HA LEU 42 HA LEU 42 10.686 -3.077 2.400 346 HB2 LEU 42 HB2 LEU 42 12.012 -5.760 2.655 347 HB3 LEU 42 HB3 LEU 42 11.702 -4.544 3.833 348 HG LEU 42 HG LEU 42 9.523 -6.186 2.585 349 HD11 LEU 42 HD11 LEU 42 10.668 -6.218 5.360 350 HD12 LEU 42 HD12 LEU 42 10.775 -7.488 4.136 351 HD13 LEU 42 HD13 LEU 42 9.218 -7.077 4.839 352 HD21 LEU 42 HD21 LEU 42 9.376 -4.049 4.710 353 HD22 LEU 42 HD22 LEU 42 8.044 -5.065 4.146 354 HD23 LEU 42 HD23 LEU 42 8.799 -3.920 3.045 355 H LYS 43 H LYS 43 12.799 -2.435 2.991 356 HA LYS 43 HA LYS 43 14.416 -1.889 0.706 357 HB2 LYS 43 HB2 LYS 43 15.003 -1.410 3.629 358 HB3 LYS 43 HB3 LYS 43 15.843 -0.693 2.265 359 HG2 LYS 43 HG2 LYS 43 13.838 0.521 1.641 360 HG3 LYS 43 HG3 LYS 43 12.942 -0.257 2.950 361 HD2 LYS 43 HD2 LYS 43 13.594 1.975 3.587 362 HD3 LYS 43 HD3 LYS 43 14.490 0.805 4.554 363 HE2 LYS 43 HE2 LYS 43 16.423 1.074 3.062 364 HE3 LYS 43 HE3 LYS 43 15.514 2.256 2.121 365 HZ1 LYS 43 HZ1 LYS 43 15.392 3.638 4.134 366 HZ2 LYS 43 HZ2 LYS 43 16.990 3.316 3.686 367 HZ3 LYS 43 HZ3 LYS 43 16.296 2.480 4.958 368 H ASN 44 H ASN 44 15.261 -3.342 3.793 369 HA ASN 44 HA ASN 44 17.724 -4.386 2.699 370 HB2 ASN 44 HB2 ASN 44 17.692 -3.386 4.940 371 HB3 ASN 44 HB3 ASN 44 16.546 -4.605 5.474 372 HD21 ASN 44 HD21 ASN 44 19.819 -3.955 4.603 373 HD22 ASN 44 HD22 ASN 44 20.489 -5.437 5.200 374 H ASN 45 H ASN 45 14.672 -5.565 3.826 375 HA ASN 45 HA ASN 45 15.536 -8.327 3.669 376 HB2 ASN 45 HB2 ASN 45 14.061 -7.496 5.500 377 HB3 ASN 45 HB3 ASN 45 12.802 -7.210 4.314 378 HD21 ASN 45 HD21 ASN 45 11.444 -8.609 5.484 379 HD22 ASN 45 HD22 ASN 45 11.659 -10.320 5.434 380 H ASN 46 H ASN 46 13.973 -6.038 1.677 381 HA ASN 46 HA ASN 46 13.308 -6.014 -0.512 382 HB2 ASN 46 HB2 ASN 46 15.514 -7.144 -0.799 383 HB3 ASN 46 HB3 ASN 46 14.708 -8.698 -0.670 384 HD21 ASN 46 HD21 ASN 46 13.496 -5.860 -2.419 385 HD22 ASN 46 HD22 ASN 46 13.603 -6.577 -3.978 386 H ARG 47 H ARG 47 11.890 -8.134 1.586 387 HA ARG 47 HA ARG 47 10.392 -9.699 -0.246 388 HB2 ARG 47 HB2 ARG 47 9.963 -9.173 2.675 389 HB3 ARG 47 HB3 ARG 47 9.048 -10.318 1.722 390 HG2 ARG 47 HG2 ARG 47 11.180 -11.527 1.262 391 HG3 ARG 47 HG3 ARG 47 11.964 -10.415 2.391 392 HD2 ARG 47 HD2 ARG 47 11.371 -12.458 3.544 393 HD3 ARG 47 HD3 ARG 47 10.408 -11.099 4.133 394 HE ARG 47 HE ARG 47 9.043 -12.459 2.076 395 HH11 ARG 47 HH11 ARG 47 9.859 -12.772 5.515 396 HH12 ARG 47 HH12 ARG 47 8.569 -13.814 5.877 397 HH21 ARG 47 HH21 ARG 47 7.278 -13.910 2.573 398 HH22 ARG 47 HH22 ARG 47 7.048 -14.486 4.150 399 H GLN 48 H GLN 48 8.287 -9.696 -0.686 400 HA GLN 48 HA GLN 48 7.180 -7.014 -0.889 401 HB2 GLN 48 HB2 GLN 48 7.690 -8.497 -2.888 402 HB3 GLN 48 HB3 GLN 48 6.395 -9.536 -2.318 403 HG2 GLN 48 HG2 GLN 48 4.859 -7.637 -2.495 404 HG3 GLN 48 HG3 GLN 48 6.183 -6.675 -3.118 405 HE21 GLN 48 HE21 GLN 48 5.705 -10.035 -3.930 406 HE22 GLN 48 HE22 GLN 48 5.320 -9.766 -5.593 407 H VAL 49 H VAL 49 5.608 -6.577 0.521 408 HA VAL 49 HA VAL 49 3.849 -8.763 1.336 409 HB VAL 49 HB VAL 49 3.580 -7.758 3.555 410 HG11 VAL 49 HG11 VAL 49 5.773 -8.271 4.527 411 HG12 VAL 49 HG12 VAL 49 6.470 -8.277 2.907 412 HG13 VAL 49 HG13 VAL 49 5.256 -9.474 3.348 413 HG21 VAL 49 HG21 VAL 49 4.012 -5.423 3.010 414 HG22 VAL 49 HG22 VAL 49 5.718 -5.781 2.727 415 HG23 VAL 49 HG23 VAL 49 5.027 -5.945 4.349 416 H CYS 50 H CYS 50 1.738 -7.921 2.077 417 HA CYS 50 HA CYS 50 0.993 -5.666 0.392 418 HB2 CYS 50 HB2 CYS 50 -0.841 -7.683 1.715 419 HB3 CYS 50 HB3 CYS 50 -1.238 -6.475 0.520 420 H ILE 51 H ILE 51 -0.033 -3.937 1.260 421 HA ILE 51 HA ILE 51 0.094 -3.870 4.170 422 HB ILE 51 HB ILE 51 0.565 -1.560 2.280 423 HG12 ILE 51 HG12 ILE 51 2.373 -3.346 3.853 424 HG13 ILE 51 HG13 ILE 51 2.412 -2.949 2.169 425 HG21 ILE 51 HG21 ILE 51 -0.496 -0.865 4.374 426 HG22 ILE 51 HG22 ILE 51 1.184 -0.312 4.284 427 HG23 ILE 51 HG23 ILE 51 0.771 -1.717 5.266 428 HD11 ILE 51 HD11 ILE 51 3.099 -0.666 2.607 429 HD12 ILE 51 HD12 ILE 51 4.232 -1.812 3.328 430 HD13 ILE 51 HD13 ILE 51 3.056 -0.973 4.344 431 H ASP 52 H ASP 52 -1.476 -3.004 5.283 432 HA ASP 52 HA ASP 52 -4.063 -2.916 4.092 433 HB2 ASP 52 HB2 ASP 52 -3.658 -3.929 6.080 434 HB3 ASP 52 HB3 ASP 52 -3.023 -2.490 6.888 435 HA PRO 53 HA PRO 53 -3.811 1.419 3.205 436 HB2 PRO 53 HB2 PRO 53 -6.391 1.829 2.536 437 HB3 PRO 53 HB3 PRO 53 -5.255 0.977 1.485 438 HG2 PRO 53 HG2 PRO 53 -7.331 -0.148 3.329 439 HG3 PRO 53 HG3 PRO 53 -6.886 -0.658 1.692 440 HD2 PRO 53 HD2 PRO 53 -6.044 -1.933 3.924 441 HD3 PRO 53 HD3 PRO 53 -5.101 -1.881 2.422 442 H LYS 54 H LYS 54 -5.207 0.256 5.998 443 HA LYS 54 HA LYS 54 -6.324 2.887 6.687 444 HB2 LYS 54 HB2 LYS 54 -6.659 0.240 8.043 445 HB3 LYS 54 HB3 LYS 54 -7.519 1.736 8.428 446 HG2 LYS 54 HG2 LYS 54 -8.472 1.760 6.217 447 HG3 LYS 54 HG3 LYS 54 -7.497 0.314 5.884 448 HD2 LYS 54 HD2 LYS 54 -9.608 0.414 8.041 449 HD3 LYS 54 HD3 LYS 54 -9.959 -0.160 6.409 450 HE2 LYS 54 HE2 LYS 54 -8.191 -1.880 6.691 451 HE3 LYS 54 HE3 LYS 54 -7.939 -1.308 8.332 452 HZ1 LYS 54 HZ1 LYS 54 -10.151 -1.961 8.916 453 HZ2 LYS 54 HZ2 LYS 54 -9.380 -3.269 8.198 454 HZ3 LYS 54 HZ3 LYS 54 -10.505 -2.382 7.323 455 H LEU 55 H LEU 55 -3.611 1.264 6.875 456 HA LEU 55 HA LEU 55 -2.747 1.657 9.538 457 HB2 LEU 55 HB2 LEU 55 -1.266 1.502 6.974 458 HB3 LEU 55 HB3 LEU 55 -0.411 1.833 8.449 459 HG LEU 55 HG LEU 55 -2.011 -0.671 7.824 460 HD11 LEU 55 HD11 LEU 55 0.945 -0.222 8.172 461 HD12 LEU 55 HD12 LEU 55 0.118 -0.455 6.630 462 HD13 LEU 55 HD13 LEU 55 0.153 -1.761 7.818 463 HD21 LEU 55 HD21 LEU 55 -2.102 -0.144 10.222 464 HD22 LEU 55 HD22 LEU 55 -0.342 0.043 10.218 465 HD23 LEU 55 HD23 LEU 55 -1.046 -1.526 9.892 466 H LYS 56 H LYS 56 -1.713 3.237 10.568 467 HA LYS 56 HA LYS 56 -2.686 5.814 10.029 468 HB2 LYS 56 HB2 LYS 56 -2.258 4.934 12.270 469 HB3 LYS 56 HB3 LYS 56 -0.540 4.930 11.934 470 HG2 LYS 56 HG2 LYS 56 -0.547 7.354 11.793 471 HG3 LYS 56 HG3 LYS 56 -2.293 7.373 12.078 472 HD2 LYS 56 HD2 LYS 56 -1.942 6.258 14.230 473 HD3 LYS 56 HD3 LYS 56 -0.205 6.278 13.955 474 HE2 LYS 56 HE2 LYS 56 -0.264 8.736 13.915 475 HE3 LYS 56 HE3 LYS 56 -2.004 8.675 14.213 476 HZ1 LYS 56 HZ1 LYS 56 0.082 7.609 16.021 477 HZ2 LYS 56 HZ2 LYS 56 -1.574 7.555 16.296 478 HZ3 LYS 56 HZ3 LYS 56 -0.783 9.039 16.277 479 H TRP 57 H TRP 57 0.609 4.471 9.711 480 HA TRP 57 HA TRP 57 1.593 6.984 8.743 481 HB2 TRP 57 HB2 TRP 57 3.708 5.861 8.262 482 HB3 TRP 57 HB3 TRP 57 3.129 5.353 9.841 483 HD1 TRP 57 HD1 TRP 57 2.351 2.794 10.064 484 HE1 TRP 57 HE1 TRP 57 2.875 0.748 8.645 485 HE3 TRP 57 HE3 TRP 57 4.138 5.151 5.932 486 HZ2 TRP 57 HZ2 TRP 57 3.925 0.192 6.071 487 HZ3 TRP 57 HZ3 TRP 57 4.889 3.805 4.038 488 HH2 TRP 57 HH2 TRP 57 4.771 1.361 4.111 489 H ILE 58 H ILE 58 -0.043 4.355 7.351 490 HA ILE 58 HA ILE 58 0.681 4.936 4.652 491 HB ILE 58 HB ILE 58 -1.571 3.266 5.820 492 HG12 ILE 58 HG12 ILE 58 0.686 2.335 6.029 493 HG13 ILE 58 HG13 ILE 58 -0.295 1.361 4.957 494 HG21 ILE 58 HG21 ILE 58 -2.031 2.458 3.582 495 HG22 ILE 58 HG22 ILE 58 -0.830 3.584 2.938 496 HG23 ILE 58 HG23 ILE 58 -2.312 4.210 3.692 497 HD11 ILE 58 HD11 ILE 58 1.936 1.615 4.057 498 HD12 ILE 58 HD12 ILE 58 1.785 3.363 4.080 499 HD13 ILE 58 HD13 ILE 58 0.755 2.408 3.013 500 H GLN 59 H GLN 59 -1.813 5.929 6.872 501 HA GLN 59 HA GLN 59 -3.283 7.455 5.009 502 HB2 GLN 59 HB2 GLN 59 -2.963 7.862 7.996 503 HB3 GLN 59 HB3 GLN 59 -4.127 8.720 6.995 504 HG2 GLN 59 HG2 GLN 59 -4.047 5.744 7.448 505 HG3 GLN 59 HG3 GLN 59 -5.180 6.878 8.189 506 HE21 GLN 59 HE21 GLN 59 -4.276 5.238 5.279 507 HE22 GLN 59 HE22 GLN 59 -5.698 5.564 4.383 508 H GLU 60 H GLU 60 -0.512 8.151 7.046 509 HA GLU 60 HA GLU 60 -0.120 10.832 6.279 510 HB2 GLU 60 HB2 GLU 60 1.967 8.758 6.995 511 HB3 GLU 60 HB3 GLU 60 2.237 10.489 6.941 512 HG2 GLU 60 HG2 GLU 60 0.594 10.771 8.765 513 HG3 GLU 60 HG3 GLU 60 0.433 9.019 8.848 514 H TYR 61 H TYR 61 1.008 7.803 4.910 515 HA TYR 61 HA TYR 61 2.576 8.670 2.773 516 HB2 TYR 61 HB2 TYR 61 2.470 6.254 3.381 517 HB3 TYR 61 HB3 TYR 61 0.778 6.284 3.027 518 HD1 TYR 61 HD1 TYR 61 3.887 7.182 1.105 519 HD2 TYR 61 HD2 TYR 61 0.108 5.246 1.180 520 HE1 TYR 61 HE1 TYR 61 4.184 6.502 -1.250 521 HE2 TYR 61 HE2 TYR 61 0.354 4.586 -1.123 522 HH TYR 61 HH TYR 61 3.355 4.826 -2.806 523 H LEU 62 H LEU 62 -0.841 7.831 2.761 524 HA LEU 62 HA LEU 62 -1.170 8.560 0.104 525 HB2 LEU 62 HB2 LEU 62 -3.035 7.824 2.267 526 HB3 LEU 62 HB3 LEU 62 -3.618 8.293 0.670 527 HG LEU 62 HG LEU 62 -1.453 6.265 0.872 528 HD11 LEU 62 HD11 LEU 62 -3.016 4.559 0.861 529 HD12 LEU 62 HD12 LEU 62 -4.382 5.705 1.075 530 HD13 LEU 62 HD13 LEU 62 -3.102 5.545 2.335 531 HD21 LEU 62 HD21 LEU 62 -2.001 7.210 -1.290 532 HD22 LEU 62 HD22 LEU 62 -3.692 6.738 -1.051 533 HD23 LEU 62 HD23 LEU 62 -2.448 5.502 -1.195 534 H GLU 63 H GLU 63 -1.631 10.272 3.091 535 HA GLU 63 HA GLU 63 -2.990 12.509 2.129 536 HB2 GLU 63 HB2 GLU 63 -2.545 12.072 4.511 537 HB3 GLU 63 HB3 GLU 63 -0.830 12.300 4.233 538 HG2 GLU 63 HG2 GLU 63 -1.227 14.612 3.655 539 HG3 GLU 63 HG3 GLU 63 -2.957 14.375 3.921 540 H LYS 64 H LYS 64 0.420 11.788 2.424 541 HA LYS 64 HA LYS 64 1.645 13.988 1.244 542 HB2 LYS 64 HB2 LYS 64 2.817 12.299 2.466 543 HB3 LYS 64 HB3 LYS 64 2.359 11.073 1.301 544 HG2 LYS 64 HG2 LYS 64 4.490 11.493 0.794 545 HG3 LYS 64 HG3 LYS 64 3.619 12.423 -0.380 546 HD2 LYS 64 HD2 LYS 64 3.847 14.491 0.923 547 HD3 LYS 64 HD3 LYS 64 4.766 13.615 2.145 548 HE2 LYS 64 HE2 LYS 64 6.517 13.143 0.520 549 HE3 LYS 64 HE3 LYS 64 5.589 13.975 -0.730 550 HZ1 LYS 64 HZ1 LYS 64 6.682 15.239 1.733 551 HZ2 LYS 64 HZ2 LYS 64 5.796 16.025 0.554 552 HZ3 LYS 64 HZ3 LYS 64 7.314 15.410 0.206 553 H ALA 65 H ALA 65 1.203 10.844 -0.197 554 HA ALA 65 HA ALA 65 1.827 11.353 -2.844 555 HB1 ALA 65 HB1 ALA 65 0.701 9.295 -3.410 556 HB2 ALA 65 HB2 ALA 65 -0.154 9.325 -1.874 557 HB3 ALA 65 HB3 ALA 65 1.600 9.107 -1.894 558 H LEU 66 H LEU 66 -1.376 11.710 -1.339 559 HA LEU 66 HA LEU 66 -2.541 12.292 -3.891 560 HB2 LEU 66 HB2 LEU 66 -3.710 12.486 -1.119 561 HB3 LEU 66 HB3 LEU 66 -4.614 12.771 -2.595 562 HG LEU 66 HG LEU 66 -3.309 10.148 -1.860 563 HD11 LEU 66 HD11 LEU 66 -6.196 10.981 -1.769 564 HD12 LEU 66 HD12 LEU 66 -5.166 10.643 -0.382 565 HD13 LEU 66 HD13 LEU 66 -5.585 9.346 -1.502 566 HD21 LEU 66 HD21 LEU 66 -5.164 10.893 -4.123 567 HD22 LEU 66 HD22 LEU 66 -4.626 9.262 -3.734 568 HD23 LEU 66 HD23 LEU 66 -3.456 10.466 -4.269 569 H ASN 67 H ASN 67 -1.247 14.095 -1.211 570 HA ASN 67 HA ASN 67 -2.195 16.659 -2.047 571 HB2 ASN 67 HB2 ASN 67 -1.420 16.214 0.268 572 HB3 ASN 67 HB3 ASN 67 0.197 15.903 -0.334 573 HD21 ASN 67 HD21 ASN 67 1.501 17.650 -0.924 574 HD22 ASN 67 HD22 ASN 67 1.076 19.272 -0.529 575 H LYS 68 H LYS 68 0.336 14.572 -2.942 576 HA LYS 68 HA LYS 68 2.158 16.256 -4.314 577 HB2 LYS 68 HB2 LYS 68 2.515 13.906 -3.710 578 HB3 LYS 68 HB3 LYS 68 1.334 13.440 -4.920 579 HG2 LYS 68 HG2 LYS 68 2.811 14.664 -6.594 580 HG3 LYS 68 HG3 LYS 68 4.034 14.662 -5.321 581 HD2 LYS 68 HD2 LYS 68 4.539 12.746 -6.456 582 HD3 LYS 68 HD3 LYS 68 3.484 12.208 -5.132 583 HE2 LYS 68 HE2 LYS 68 2.643 12.635 -8.025 584 HE3 LYS 68 HE3 LYS 68 2.835 11.081 -7.237 585 HZ1 LYS 68 HZ1 LYS 68 0.779 13.153 -6.632 586 HZ2 LYS 68 HZ2 LYS 68 0.927 11.718 -5.758 587 HZ3 LYS 68 HZ3 LYS 68 0.525 11.695 -7.399 Start of MODEL 16 1 H LYS 1 H LYS 1 -10.198 -27.276 -15.826 2 HA LYS 1 HA LYS 1 -11.861 -29.226 -14.373 3 HB2 LYS 1 HB2 LYS 1 -9.927 -27.120 -13.372 4 HB3 LYS 1 HB3 LYS 1 -11.001 -28.077 -12.364 5 HG2 LYS 1 HG2 LYS 1 -9.814 -30.108 -13.009 6 HG3 LYS 1 HG3 LYS 1 -8.760 -29.165 -14.061 7 HD2 LYS 1 HD2 LYS 1 -7.643 -29.646 -11.953 8 HD3 LYS 1 HD3 LYS 1 -7.943 -27.920 -12.108 9 HE2 LYS 1 HE2 LYS 1 -9.915 -28.136 -10.669 10 HE3 LYS 1 HE3 LYS 1 -9.606 -29.867 -10.511 11 HZ1 LYS 1 HZ1 LYS 1 -8.766 -28.670 -8.603 12 HZ2 LYS 1 HZ2 LYS 1 -7.823 -27.676 -9.594 13 HZ3 LYS 1 HZ3 LYS 1 -7.480 -29.308 -9.478 14 HA PRO 2 HA PRO 2 -14.791 -25.960 -14.947 15 HB2 PRO 2 HB2 PRO 2 -16.693 -26.832 -13.203 16 HB3 PRO 2 HB3 PRO 2 -16.471 -27.523 -14.819 17 HG2 PRO 2 HG2 PRO 2 -15.551 -28.540 -12.168 18 HG3 PRO 2 HG3 PRO 2 -16.187 -29.443 -13.548 19 HD2 PRO 2 HD2 PRO 2 -13.533 -29.283 -12.964 20 HD3 PRO 2 HD3 PRO 2 -14.146 -29.489 -14.616 21 H VAL 3 H VAL 3 -13.514 -24.363 -14.059 22 HA VAL 3 HA VAL 3 -14.617 -23.015 -11.919 23 HB VAL 3 HB VAL 3 -13.403 -24.599 -10.463 24 HG11 VAL 3 HG11 VAL 3 -10.878 -23.730 -11.853 25 HG12 VAL 3 HG12 VAL 3 -11.629 -25.323 -11.938 26 HG13 VAL 3 HG13 VAL 3 -10.956 -24.745 -10.412 27 HG21 VAL 3 HG21 VAL 3 -12.118 -21.869 -10.472 28 HG22 VAL 3 HG22 VAL 3 -12.079 -23.007 -9.127 29 HG23 VAL 3 HG23 VAL 3 -13.613 -22.322 -9.654 30 H SER 4 H SER 4 -14.458 -21.021 -12.615 31 HA SER 4 HA SER 4 -12.119 -20.344 -14.230 32 HB2 SER 4 HB2 SER 4 -14.189 -20.362 -15.540 33 HB3 SER 4 HB3 SER 4 -14.936 -19.245 -14.402 34 HG SER 4 HG SER 4 -13.883 -17.639 -15.260 35 H LEU 5 H LEU 5 -10.907 -18.738 -13.581 36 HA LEU 5 HA LEU 5 -11.937 -16.991 -11.491 37 HB2 LEU 5 HB2 LEU 5 -9.046 -17.618 -12.190 38 HB3 LEU 5 HB3 LEU 5 -9.534 -16.421 -11.021 39 HG LEU 5 HG LEU 5 -8.764 -18.301 -9.825 40 HD11 LEU 5 HD11 LEU 5 -11.754 -18.336 -9.727 41 HD12 LEU 5 HD12 LEU 5 -10.668 -17.272 -8.831 42 HD13 LEU 5 HD13 LEU 5 -10.672 -19.004 -8.510 43 HD21 LEU 5 HD21 LEU 5 -8.878 -20.025 -11.535 44 HD22 LEU 5 HD22 LEU 5 -10.643 -20.027 -11.441 45 HD23 LEU 5 HD23 LEU 5 -9.688 -20.575 -10.065 46 H SER 6 H SER 6 -12.990 -15.619 -12.846 47 HA SER 6 HA SER 6 -11.689 -14.496 -15.126 48 HB2 SER 6 HB2 SER 6 -14.250 -13.689 -13.723 49 HB3 SER 6 HB3 SER 6 -13.725 -13.111 -15.307 50 HG SER 6 HG SER 6 -15.075 -15.331 -14.714 51 H TYR 7 H TYR 7 -12.064 -13.746 -11.789 52 HA TYR 7 HA TYR 7 -10.258 -11.499 -12.121 53 HB2 TYR 7 HB2 TYR 7 -12.714 -11.569 -10.374 54 HB3 TYR 7 HB3 TYR 7 -11.465 -10.341 -10.295 55 HD1 TYR 7 HD1 TYR 7 -11.021 -9.099 -12.578 56 HD2 TYR 7 HD2 TYR 7 -14.603 -11.186 -11.646 57 HE1 TYR 7 HE1 TYR 7 -12.214 -7.794 -14.276 58 HE2 TYR 7 HE2 TYR 7 -15.812 -9.879 -13.349 59 HH TYR 7 HH TYR 7 -14.239 -8.065 -15.673 60 H ARG 8 H ARG 8 -8.507 -11.929 -10.949 61 HA ARG 8 HA ARG 8 -8.915 -13.179 -8.347 62 HB2 ARG 8 HB2 ARG 8 -6.682 -14.233 -8.494 63 HB3 ARG 8 HB3 ARG 8 -7.728 -14.811 -9.779 64 HG2 ARG 8 HG2 ARG 8 -6.593 -13.350 -11.364 65 HG3 ARG 8 HG3 ARG 8 -5.569 -12.729 -10.065 66 HD2 ARG 8 HD2 ARG 8 -5.691 -15.598 -11.010 67 HD3 ARG 8 HD3 ARG 8 -4.421 -14.444 -11.407 68 HE ARG 8 HE ARG 8 -4.715 -14.692 -8.591 69 HH11 ARG 8 HH11 ARG 8 -3.338 -16.415 -11.379 70 HH12 ARG 8 HH12 ARG 8 -2.193 -17.259 -10.443 71 HH21 ARG 8 HH21 ARG 8 -3.138 -15.861 -7.338 72 HH22 ARG 8 HH22 ARG 8 -2.075 -16.932 -8.100 73 H CYS 9 H CYS 9 -7.533 -12.309 -6.681 74 HA CYS 9 HA CYS 9 -6.719 -9.642 -7.478 75 HB2 CYS 9 HB2 CYS 9 -7.803 -10.614 -4.843 76 HB3 CYS 9 HB3 CYS 9 -7.315 -8.946 -5.173 77 HA PRO 10 HA PRO 10 -2.524 -10.596 -6.636 78 HB2 PRO 10 HB2 PRO 10 -2.377 -7.853 -5.509 79 HB3 PRO 10 HB3 PRO 10 -1.399 -8.607 -6.771 80 HG2 PRO 10 HG2 PRO 10 -3.293 -6.839 -7.386 81 HG3 PRO 10 HG3 PRO 10 -3.019 -8.267 -8.408 82 HD2 PRO 10 HD2 PRO 10 -5.178 -7.705 -6.436 83 HD3 PRO 10 HD3 PRO 10 -5.235 -8.552 -8.000 84 H CYS 11 H CYS 11 -4.027 -8.730 -3.958 85 HA CYS 11 HA CYS 11 -2.331 -10.324 -2.190 86 HB2 CYS 11 HB2 CYS 11 -3.087 -7.440 -1.919 87 HB3 CYS 11 HB3 CYS 11 -2.352 -8.382 -0.629 88 H ARG 12 H ARG 12 -3.390 -11.677 -1.085 89 HA ARG 12 HA ARG 12 -6.052 -11.000 -0.078 90 HB2 ARG 12 HB2 ARG 12 -5.794 -13.131 -1.303 91 HB3 ARG 12 HB3 ARG 12 -4.557 -13.626 -0.161 92 HG2 ARG 12 HG2 ARG 12 -6.211 -13.663 1.630 93 HG3 ARG 12 HG3 ARG 12 -7.450 -13.114 0.500 94 HD2 ARG 12 HD2 ARG 12 -7.559 -15.533 0.809 95 HD3 ARG 12 HD3 ARG 12 -7.133 -15.104 -0.847 96 HE ARG 12 HE ARG 12 -5.014 -15.734 1.050 97 HH11 ARG 12 HH11 ARG 12 -6.875 -16.637 -1.833 98 HH12 ARG 12 HH12 ARG 12 -5.797 -17.849 -2.329 99 HH21 ARG 12 HH21 ARG 12 -3.510 -17.477 0.354 100 HH22 ARG 12 HH22 ARG 12 -3.868 -18.333 -1.060 101 H PHE 13 H PHE 13 -2.772 -11.728 0.799 102 HA PHE 13 HA PHE 13 -3.435 -11.375 3.614 103 HB2 PHE 13 HB2 PHE 13 -1.215 -12.417 4.094 104 HB3 PHE 13 HB3 PHE 13 -2.276 -13.485 3.201 105 HD1 PHE 13 HD1 PHE 13 -1.841 -13.877 0.763 106 HD2 PHE 13 HD2 PHE 13 0.885 -11.756 3.242 107 HE1 PHE 13 HE1 PHE 13 -0.058 -14.229 -0.901 108 HE2 PHE 13 HE2 PHE 13 2.670 -12.099 1.589 109 HZ PHE 13 HZ PHE 13 2.197 -13.339 -0.491 110 H PHE 14 H PHE 14 -2.636 -9.659 4.717 111 HA PHE 14 HA PHE 14 -0.754 -7.781 3.354 112 HB2 PHE 14 HB2 PHE 14 -3.210 -7.019 4.892 113 HB3 PHE 14 HB3 PHE 14 -2.103 -5.909 4.117 114 HD1 PHE 14 HD1 PHE 14 -4.871 -8.254 3.698 115 HD2 PHE 14 HD2 PHE 14 -2.329 -5.465 1.733 116 HE1 PHE 14 HE1 PHE 14 -6.405 -8.214 1.795 117 HE2 PHE 14 HE2 PHE 14 -3.862 -5.410 -0.170 118 HZ PHE 14 HZ PHE 14 -5.916 -6.796 -0.145 119 H GLU 15 H GLU 15 0.568 -6.675 4.793 120 HA GLU 15 HA GLU 15 0.376 -7.590 7.495 121 HB2 GLU 15 HB2 GLU 15 2.518 -6.011 6.111 122 HB3 GLU 15 HB3 GLU 15 2.463 -6.085 7.869 123 HG2 GLU 15 HG2 GLU 15 2.455 -8.485 7.702 124 HG3 GLU 15 HG3 GLU 15 2.739 -8.352 5.945 125 H SER 16 H SER 16 -0.480 -6.513 9.137 126 HA SER 16 HA SER 16 -1.622 -3.918 8.558 127 HB2 SER 16 HB2 SER 16 -2.915 -4.433 10.662 128 HB3 SER 16 HB3 SER 16 -3.192 -5.546 9.318 129 HG SER 16 HG SER 16 -2.868 -6.818 11.000 130 H HIS 17 H HIS 17 1.165 -4.999 9.711 131 HA HIS 17 HA HIS 17 1.574 -2.609 11.316 132 HB2 HIS 17 HB2 HIS 17 2.494 -5.369 12.185 133 HB3 HIS 17 HB3 HIS 17 2.908 -3.868 12.993 134 HD1 HIS 17 HD1 HIS 17 0.151 -6.309 12.525 135 HD2 HIS 17 HD2 HIS 17 0.811 -2.744 14.539 136 HE1 HIS 17 HE1 HIS 17 -1.787 -6.050 14.082 137 HE2 HIS 17 HE2 HIS 17 -1.324 -3.911 15.346 138 H VAL 18 H VAL 18 2.853 -1.686 9.763 139 HA VAL 18 HA VAL 18 5.155 -3.249 8.862 140 HB VAL 18 HB VAL 18 3.487 -1.399 7.130 141 HG11 VAL 18 HG11 VAL 18 4.865 -2.193 5.251 142 HG12 VAL 18 HG12 VAL 18 5.858 -3.105 6.386 143 HG13 VAL 18 HG13 VAL 18 5.827 -1.346 6.465 144 HG21 VAL 18 HG21 VAL 18 2.303 -3.484 7.523 145 HG22 VAL 18 HG22 VAL 18 3.692 -4.439 7.048 146 HG23 VAL 18 HG23 VAL 18 2.873 -3.447 5.866 147 H ALA 19 H ALA 19 7.091 -2.003 8.481 148 HA ALA 19 HA ALA 19 7.045 0.635 9.713 149 HB1 ALA 19 HB1 ALA 19 9.479 0.331 9.897 150 HB2 ALA 19 HB2 ALA 19 9.344 -1.222 9.075 151 HB3 ALA 19 HB3 ALA 19 8.611 -1.000 10.664 152 H ARG 20 H ARG 20 7.144 2.340 8.461 153 HA ARG 20 HA ARG 20 7.232 2.123 5.634 154 HB2 ARG 20 HB2 ARG 20 5.947 3.864 6.742 155 HB3 ARG 20 HB3 ARG 20 7.418 4.555 7.405 156 HG2 ARG 20 HG2 ARG 20 8.160 5.223 5.217 157 HG3 ARG 20 HG3 ARG 20 6.811 4.365 4.459 158 HD2 ARG 20 HD2 ARG 20 5.254 5.770 5.521 159 HD3 ARG 20 HD3 ARG 20 6.499 6.666 6.390 160 HE ARG 20 HE ARG 20 7.006 6.827 3.638 161 HH11 ARG 20 HH11 ARG 20 4.571 7.930 5.986 162 HH12 ARG 20 HH12 ARG 20 4.115 9.278 5.068 163 HH21 ARG 20 HH21 ARG 20 6.363 8.702 2.413 164 HH22 ARG 20 HH22 ARG 20 5.140 9.741 3.001 165 H ALA 21 H ALA 21 9.596 2.882 8.067 166 HA ALA 21 HA ALA 21 11.599 3.820 6.270 167 HB1 ALA 21 HB1 ALA 21 11.601 4.383 8.655 168 HB2 ALA 21 HB2 ALA 21 13.111 3.612 8.174 169 HB3 ALA 21 HB3 ALA 21 11.887 2.690 9.051 170 H ASN 22 H ASN 22 10.348 0.732 6.956 171 HA ASN 22 HA ASN 22 12.776 -0.613 6.072 172 HB2 ASN 22 HB2 ASN 22 11.577 -1.502 8.080 173 HB3 ASN 22 HB3 ASN 22 10.154 -1.754 7.089 174 HD21 ASN 22 HD21 ASN 22 10.118 -3.920 7.591 175 HD22 ASN 22 HD22 ASN 22 11.225 -5.066 6.956 176 H VAL 23 H VAL 23 9.976 0.751 4.800 177 HA VAL 23 HA VAL 23 9.805 -1.171 2.616 178 HB VAL 23 HB VAL 23 8.086 1.261 3.223 179 HG11 VAL 23 HG11 VAL 23 6.614 0.415 1.449 180 HG12 VAL 23 HG12 VAL 23 7.843 -0.803 1.046 181 HG13 VAL 23 HG13 VAL 23 8.195 0.908 0.851 182 HG21 VAL 23 HG21 VAL 23 6.348 -0.378 3.727 183 HG22 VAL 23 HG22 VAL 23 7.746 -0.585 4.783 184 HG23 VAL 23 HG23 VAL 23 7.489 -1.687 3.430 185 H LYS 24 H LYS 24 10.631 -0.830 0.682 186 HA LYS 24 HA LYS 24 12.206 1.594 0.178 187 HB2 LYS 24 HB2 LYS 24 12.995 0.473 -1.791 188 HB3 LYS 24 HB3 LYS 24 13.157 -0.592 -0.408 189 HG2 LYS 24 HG2 LYS 24 11.427 -1.991 -1.094 190 HG3 LYS 24 HG3 LYS 24 10.751 -0.777 -2.172 191 HD2 LYS 24 HD2 LYS 24 13.339 -2.296 -2.601 192 HD3 LYS 24 HD3 LYS 24 11.777 -2.547 -3.411 193 HE2 LYS 24 HE2 LYS 24 11.872 -0.236 -4.236 194 HE3 LYS 24 HE3 LYS 24 13.438 -0.047 -3.558 195 HZ1 LYS 24 HZ1 LYS 24 13.689 -0.632 -5.864 196 HZ2 LYS 24 HZ2 LYS 24 12.798 -2.048 -5.655 197 HZ3 LYS 24 HZ3 LYS 24 14.295 -1.859 -4.907 198 H HIS 25 H HIS 25 9.279 0.071 -0.913 199 HA HIS 25 HA HIS 25 8.638 2.331 -2.598 200 HB2 HIS 25 HB2 HIS 25 10.227 1.085 -3.953 201 HB3 HIS 25 HB3 HIS 25 9.328 -0.373 -3.680 202 HD1 HIS 25 HD1 HIS 25 7.856 2.962 -4.908 203 HD2 HIS 25 HD2 HIS 25 8.547 -0.948 -6.090 204 HE1 HIS 25 HE1 HIS 25 6.668 2.730 -7.072 205 HE2 HIS 25 HE2 HIS 25 7.399 0.524 -7.937 206 H LEU 26 H LEU 26 6.533 2.568 -2.516 207 HA LEU 26 HA LEU 26 4.792 0.326 -1.879 208 HB2 LEU 26 HB2 LEU 26 4.397 3.294 -1.891 209 HB3 LEU 26 HB3 LEU 26 3.132 2.145 -1.488 210 HG LEU 26 HG LEU 26 5.691 2.547 0.079 211 HD11 LEU 26 HD11 LEU 26 4.255 3.562 1.753 212 HD12 LEU 26 HD12 LEU 26 2.864 3.396 0.684 213 HD13 LEU 26 HD13 LEU 26 4.192 4.469 0.242 214 HD21 LEU 26 HD21 LEU 26 4.823 0.299 0.228 215 HD22 LEU 26 HD22 LEU 26 3.226 0.929 0.641 216 HD23 LEU 26 HD23 LEU 26 4.578 1.171 1.746 217 H LYS 27 H LYS 27 3.550 -0.431 -3.395 218 HA LYS 27 HA LYS 27 3.077 1.103 -5.842 219 HB2 LYS 27 HB2 LYS 27 4.978 -0.533 -6.065 220 HB3 LYS 27 HB3 LYS 27 3.865 -1.795 -5.623 221 HG2 LYS 27 HG2 LYS 27 2.573 -1.411 -7.655 222 HG3 LYS 27 HG3 LYS 27 3.653 -0.072 -8.064 223 HD2 LYS 27 HD2 LYS 27 4.289 -2.079 -9.305 224 HD3 LYS 27 HD3 LYS 27 5.548 -1.602 -8.175 225 HE2 LYS 27 HE2 LYS 27 5.249 -4.006 -8.139 226 HE3 LYS 27 HE3 LYS 27 4.771 -3.330 -6.593 227 HZ1 LYS 27 HZ1 LYS 27 3.179 -5.006 -7.392 228 HZ2 LYS 27 HZ2 LYS 27 2.962 -4.148 -8.788 229 HZ3 LYS 27 HZ3 LYS 27 2.413 -3.502 -7.351 230 H ILE 28 H ILE 28 0.907 1.411 -5.507 231 HA ILE 28 HA ILE 28 -0.553 -0.743 -4.229 232 HB ILE 28 HB ILE 28 -1.587 2.047 -4.831 233 HG12 ILE 28 HG12 ILE 28 -0.289 0.923 -2.356 234 HG13 ILE 28 HG13 ILE 28 0.389 2.173 -3.383 235 HG21 ILE 28 HG21 ILE 28 -3.257 0.275 -4.415 236 HG22 ILE 28 HG22 ILE 28 -3.236 1.475 -3.109 237 HG23 ILE 28 HG23 ILE 28 -2.461 -0.096 -2.882 238 HD11 ILE 28 HD11 ILE 28 -0.517 3.111 -1.333 239 HD12 ILE 28 HD12 ILE 28 -2.088 2.416 -1.669 240 HD13 ILE 28 HD13 ILE 28 -1.450 3.686 -2.724 241 H LEU 29 H LEU 29 -2.102 -1.890 -5.187 242 HA LEU 29 HA LEU 29 -2.540 -1.523 -8.070 243 HB2 LEU 29 HB2 LEU 29 -1.266 -3.529 -7.138 244 HB3 LEU 29 HB3 LEU 29 -2.763 -4.020 -6.400 245 HG LEU 29 HG LEU 29 -2.349 -5.317 -8.306 246 HD11 LEU 29 HD11 LEU 29 -4.579 -3.422 -8.945 247 HD12 LEU 29 HD12 LEU 29 -4.672 -4.897 -7.982 248 HD13 LEU 29 HD13 LEU 29 -4.332 -4.994 -9.712 249 HD21 LEU 29 HD21 LEU 29 -2.168 -2.784 -9.911 250 HD22 LEU 29 HD22 LEU 29 -2.177 -4.410 -10.590 251 HD23 LEU 29 HD23 LEU 29 -0.854 -3.891 -9.536 252 H ASN 30 H ASN 30 -4.607 -0.709 -8.363 253 HA ASN 30 HA ASN 30 -6.613 -1.319 -6.348 254 HB2 ASN 30 HB2 ASN 30 -8.056 0.375 -7.481 255 HB3 ASN 30 HB3 ASN 30 -6.521 1.022 -6.941 256 HD21 ASN 30 HD21 ASN 30 -8.486 0.228 -9.685 257 HD22 ASN 30 HD22 ASN 30 -7.500 1.016 -10.854 258 H THR 31 H THR 31 -8.031 -2.882 -6.452 259 HA THR 31 HA THR 31 -8.599 -4.013 -9.099 260 HB THR 31 HB THR 31 -8.584 -5.427 -6.410 261 HG1 THR 31 HG1 THR 31 -6.652 -4.896 -8.274 262 HG21 THR 31 HG21 THR 31 -8.713 -7.483 -7.744 263 HG22 THR 31 HG22 THR 31 -8.794 -6.525 -9.221 264 HG23 THR 31 HG23 THR 31 -10.114 -6.451 -8.051 265 HA PRO 32 HA PRO 32 -12.951 -2.810 -9.213 266 HB2 PRO 32 HB2 PRO 32 -12.739 -5.747 -9.349 267 HB3 PRO 32 HB3 PRO 32 -14.006 -4.844 -10.129 268 HG2 PRO 32 HG2 PRO 32 -11.905 -5.423 -11.530 269 HG3 PRO 32 HG3 PRO 32 -12.336 -3.697 -11.508 270 HD2 PRO 32 HD2 PRO 32 -10.046 -5.073 -10.242 271 HD3 PRO 32 HD3 PRO 32 -10.218 -3.361 -10.666 272 H ASN 33 H ASN 33 -12.109 -5.566 -7.149 273 HA ASN 33 HA ASN 33 -14.438 -5.026 -5.485 274 HB2 ASN 33 HB2 ASN 33 -15.170 -7.352 -5.724 275 HB3 ASN 33 HB3 ASN 33 -15.223 -6.465 -7.244 276 HD21 ASN 33 HD21 ASN 33 -15.265 -9.118 -7.134 277 HD22 ASN 33 HD22 ASN 33 -13.821 -9.833 -7.790 278 H CYS 34 H CYS 34 -11.307 -5.324 -5.483 279 HA CYS 34 HA CYS 34 -11.273 -6.652 -2.889 280 HB2 CYS 34 HB2 CYS 34 -9.223 -6.883 -5.089 281 HB3 CYS 34 HB3 CYS 34 -8.955 -7.420 -3.442 282 H ALA 35 H ALA 35 -11.197 -3.879 -4.421 283 HA ALA 35 HA ALA 35 -10.545 -1.813 -4.006 284 HB1 ALA 35 HB1 ALA 35 -9.540 -2.956 -1.452 285 HB2 ALA 35 HB2 ALA 35 -11.202 -2.429 -1.746 286 HB3 ALA 35 HB3 ALA 35 -9.875 -1.237 -1.741 287 H LEU 36 H LEU 36 -8.398 -0.694 -2.815 288 HA LEU 36 HA LEU 36 -6.376 -1.630 -4.557 289 HB2 LEU 36 HB2 LEU 36 -5.126 0.469 -3.898 290 HB3 LEU 36 HB3 LEU 36 -6.574 0.635 -4.847 291 HG LEU 36 HG LEU 36 -7.767 1.320 -2.741 292 HD11 LEU 36 HD11 LEU 36 -4.980 1.467 -1.618 293 HD12 LEU 36 HD12 LEU 36 -6.255 0.360 -1.105 294 HD13 LEU 36 HD13 LEU 36 -6.445 2.099 -0.864 295 HD21 LEU 36 HD21 LEU 36 -5.426 2.929 -3.661 296 HD22 LEU 36 HD22 LEU 36 -6.831 3.574 -2.794 297 HD23 LEU 36 HD23 LEU 36 -7.018 2.851 -4.407 298 H GLN 37 H GLN 37 -4.851 -2.836 -4.212 299 HA GLN 37 HA GLN 37 -4.243 -3.576 -1.461 300 HB2 GLN 37 HB2 GLN 37 -3.843 -4.910 -4.132 301 HB3 GLN 37 HB3 GLN 37 -3.240 -5.548 -2.605 302 HG2 GLN 37 HG2 GLN 37 -5.253 -6.282 -1.968 303 HG3 GLN 37 HG3 GLN 37 -6.085 -4.856 -2.595 304 HE21 GLN 37 HE21 GLN 37 -6.775 -4.833 -4.626 305 HE22 GLN 37 HE22 GLN 37 -6.901 -6.208 -5.636 306 H ILE 38 H ILE 38 -2.269 -3.172 -0.718 307 HA ILE 38 HA ILE 38 -0.620 -1.491 -2.430 308 HB ILE 38 HB ILE 38 -0.623 -1.990 0.506 309 HG12 ILE 38 HG12 ILE 38 -1.677 0.398 -0.997 310 HG13 ILE 38 HG13 ILE 38 -2.659 -0.895 -0.321 311 HG21 ILE 38 HG21 ILE 38 1.584 -1.259 -0.209 312 HG22 ILE 38 HG22 ILE 38 0.811 0.081 0.624 313 HG23 ILE 38 HG23 ILE 38 0.919 0.068 -1.139 314 HD11 ILE 38 HD11 ILE 38 -1.951 -0.297 1.898 315 HD12 ILE 38 HD12 ILE 38 -2.609 1.115 1.013 316 HD13 ILE 38 HD13 ILE 38 -0.864 0.926 1.204 317 H VAL 39 H VAL 39 1.225 -2.298 -3.181 318 HA VAL 39 HA VAL 39 2.357 -4.662 -1.866 319 HB VAL 39 HB VAL 39 2.774 -3.570 -4.676 320 HG11 VAL 39 HG11 VAL 39 4.815 -4.559 -3.887 321 HG12 VAL 39 HG12 VAL 39 4.091 -5.594 -5.115 322 HG13 VAL 39 HG13 VAL 39 3.970 -6.031 -3.408 323 HG21 VAL 39 HG21 VAL 39 1.676 -5.633 -5.436 324 HG22 VAL 39 HG22 VAL 39 0.613 -4.648 -4.432 325 HG23 VAL 39 HG23 VAL 39 1.383 -6.084 -3.756 326 H ALA 40 H ALA 40 4.229 -4.465 -0.887 327 HA ALA 40 HA ALA 40 5.841 -2.065 -1.390 328 HB1 ALA 40 HB1 ALA 40 6.091 -1.761 1.012 329 HB2 ALA 40 HB2 ALA 40 4.985 -3.097 1.297 330 HB3 ALA 40 HB3 ALA 40 4.407 -1.634 0.516 331 H ARG 41 H ARG 41 8.033 -2.802 -1.689 332 HA ARG 41 HA ARG 41 8.544 -5.297 -0.448 333 HB2 ARG 41 HB2 ARG 41 9.078 -4.408 -2.902 334 HB3 ARG 41 HB3 ARG 41 10.584 -3.999 -2.079 335 HG2 ARG 41 HG2 ARG 41 10.709 -6.237 -1.184 336 HG3 ARG 41 HG3 ARG 41 9.167 -6.525 -2.008 337 HD2 ARG 41 HD2 ARG 41 11.822 -5.993 -3.269 338 HD3 ARG 41 HD3 ARG 41 10.838 -7.503 -3.144 339 HE ARG 41 HE ARG 41 9.515 -5.363 -4.477 340 HH11 ARG 41 HH11 ARG 41 11.584 -8.216 -4.884 341 HH12 ARG 41 HH12 ARG 41 11.267 -8.418 -6.528 342 HH21 ARG 41 HH21 ARG 41 9.061 -5.631 -6.782 343 HH22 ARG 41 HH22 ARG 41 9.777 -6.905 -7.645 344 H LEU 42 H LEU 42 10.201 -5.554 0.916 345 HA LEU 42 HA LEU 42 10.729 -3.196 2.494 346 HB2 LEU 42 HB2 LEU 42 11.761 -5.956 3.118 347 HB3 LEU 42 HB3 LEU 42 11.529 -4.607 4.149 348 HG LEU 42 HG LEU 42 9.197 -6.037 2.891 349 HD11 LEU 42 HD11 LEU 42 10.231 -6.167 5.712 350 HD12 LEU 42 HD12 LEU 42 10.258 -7.472 4.519 351 HD13 LEU 42 HD13 LEU 42 8.726 -6.870 5.130 352 HD21 LEU 42 HD21 LEU 42 9.301 -3.866 4.988 353 HD22 LEU 42 HD22 LEU 42 7.848 -4.689 4.415 354 HD23 LEU 42 HD23 LEU 42 8.774 -3.676 3.318 355 H LYS 43 H LYS 43 12.666 -2.491 3.041 356 HA LYS 43 HA LYS 43 14.696 -2.493 1.044 357 HB2 LYS 43 HB2 LYS 43 14.586 -1.317 3.820 358 HB3 LYS 43 HB3 LYS 43 15.822 -0.967 2.621 359 HG2 LYS 43 HG2 LYS 43 14.277 0.136 1.219 360 HG3 LYS 43 HG3 LYS 43 12.902 -0.458 2.152 361 HD2 LYS 43 HD2 LYS 43 13.353 1.896 2.627 362 HD3 LYS 43 HD3 LYS 43 13.603 0.902 4.056 363 HE2 LYS 43 HE2 LYS 43 16.017 0.913 3.590 364 HE3 LYS 43 HE3 LYS 43 15.724 1.983 2.219 365 HZ1 LYS 43 HZ1 LYS 43 14.818 3.632 3.774 366 HZ2 LYS 43 HZ2 LYS 43 16.390 3.226 4.181 367 HZ3 LYS 43 HZ3 LYS 43 15.114 2.601 5.068 368 H ASN 44 H ASN 44 14.693 -3.251 4.506 369 HA ASN 44 HA ASN 44 17.338 -4.417 4.295 370 HB2 ASN 44 HB2 ASN 44 16.816 -3.024 6.209 371 HB3 ASN 44 HB3 ASN 44 15.530 -4.129 6.696 372 HD21 ASN 44 HD21 ASN 44 18.953 -3.586 6.595 373 HD22 ASN 44 HD22 ASN 44 19.375 -4.941 7.566 374 H ASN 45 H ASN 45 14.079 -5.497 4.878 375 HA ASN 45 HA ASN 45 15.028 -8.204 5.373 376 HB2 ASN 45 HB2 ASN 45 13.183 -7.135 6.734 377 HB3 ASN 45 HB3 ASN 45 12.162 -7.224 5.311 378 HD21 ASN 45 HD21 ASN 45 10.662 -8.590 6.359 379 HD22 ASN 45 HD22 ASN 45 11.021 -10.219 6.721 380 H ASN 46 H ASN 46 13.942 -6.304 2.780 381 HA ASN 46 HA ASN 46 13.783 -6.624 0.544 382 HB2 ASN 46 HB2 ASN 46 15.902 -7.795 0.843 383 HB3 ASN 46 HB3 ASN 46 15.059 -9.301 1.172 384 HD21 ASN 46 HD21 ASN 46 14.233 -10.444 -0.552 385 HD22 ASN 46 HD22 ASN 46 14.598 -10.094 -2.193 386 H ARG 47 H ARG 47 11.955 -8.532 2.585 387 HA ARG 47 HA ARG 47 10.551 -10.245 0.867 388 HB2 ARG 47 HB2 ARG 47 9.427 -8.785 3.249 389 HB3 ARG 47 HB3 ARG 47 8.838 -10.258 2.523 390 HG2 ARG 47 HG2 ARG 47 11.429 -9.939 4.003 391 HG3 ARG 47 HG3 ARG 47 9.960 -10.692 4.612 392 HD2 ARG 47 HD2 ARG 47 10.089 -12.279 2.813 393 HD3 ARG 47 HD3 ARG 47 11.662 -11.618 2.323 394 HE ARG 47 HE ARG 47 11.230 -12.652 5.047 395 HH11 ARG 47 HH11 ARG 47 13.041 -12.849 2.013 396 HH12 ARG 47 HH12 ARG 47 14.193 -13.948 2.621 397 HH21 ARG 47 HH21 ARG 47 12.747 -14.179 5.836 398 HH22 ARG 47 HH22 ARG 47 14.013 -14.755 4.838 399 H GLN 48 H GLN 48 8.754 -9.932 -0.422 400 HA GLN 48 HA GLN 48 7.914 -7.164 -0.736 401 HB2 GLN 48 HB2 GLN 48 8.613 -8.715 -2.707 402 HB3 GLN 48 HB3 GLN 48 7.078 -9.525 -2.417 403 HG2 GLN 48 HG2 GLN 48 6.064 -7.172 -2.585 404 HG3 GLN 48 HG3 GLN 48 7.609 -6.734 -3.209 405 HE21 GLN 48 HE21 GLN 48 4.796 -8.640 -3.897 406 HE22 GLN 48 HE22 GLN 48 5.120 -8.845 -5.573 407 H VAL 49 H VAL 49 6.110 -6.599 0.296 408 HA VAL 49 HA VAL 49 4.376 -8.796 1.193 409 HB VAL 49 HB VAL 49 3.982 -7.668 3.281 410 HG11 VAL 49 HG11 VAL 49 6.189 -7.698 4.297 411 HG12 VAL 49 HG12 VAL 49 6.920 -7.681 2.689 412 HG13 VAL 49 HG13 VAL 49 5.944 -9.058 3.196 413 HG21 VAL 49 HG21 VAL 49 4.010 -5.346 2.508 414 HG22 VAL 49 HG22 VAL 49 5.763 -5.418 2.298 415 HG23 VAL 49 HG23 VAL 49 5.041 -5.559 3.911 416 H CYS 50 H CYS 50 2.229 -7.774 1.996 417 HA CYS 50 HA CYS 50 1.400 -5.757 0.063 418 HB2 CYS 50 HB2 CYS 50 -0.371 -7.848 1.374 419 HB3 CYS 50 HB3 CYS 50 -0.797 -6.686 0.154 420 H ILE 51 H ILE 51 0.324 -4.058 0.879 421 HA ILE 51 HA ILE 51 0.321 -3.963 3.782 422 HB ILE 51 HB ILE 51 0.759 -1.652 1.876 423 HG12 ILE 51 HG12 ILE 51 2.543 -3.319 3.586 424 HG13 ILE 51 HG13 ILE 51 2.676 -2.937 1.903 425 HG21 ILE 51 HG21 ILE 51 -0.461 -0.970 3.881 426 HG22 ILE 51 HG22 ILE 51 1.192 -0.334 3.869 427 HG23 ILE 51 HG23 ILE 51 0.792 -1.736 4.862 428 HD11 ILE 51 HD11 ILE 51 3.205 -0.606 2.367 429 HD12 ILE 51 HD12 ILE 51 4.359 -1.688 3.153 430 HD13 ILE 51 HD13 ILE 51 3.083 -0.915 4.098 431 H ASP 52 H ASP 52 -1.289 -3.193 4.839 432 HA ASP 52 HA ASP 52 -3.867 -3.307 3.697 433 HB2 ASP 52 HB2 ASP 52 -3.477 -4.148 5.725 434 HB3 ASP 52 HB3 ASP 52 -2.765 -2.688 6.407 435 HA PRO 53 HA PRO 53 -4.062 0.936 2.510 436 HB2 PRO 53 HB2 PRO 53 -6.698 1.030 1.906 437 HB3 PRO 53 HB3 PRO 53 -5.484 0.257 0.882 438 HG2 PRO 53 HG2 PRO 53 -7.397 -0.995 2.810 439 HG3 PRO 53 HG3 PRO 53 -6.898 -1.550 1.201 440 HD2 PRO 53 HD2 PRO 53 -5.910 -2.563 3.510 441 HD3 PRO 53 HD3 PRO 53 -4.997 -2.520 1.990 442 H LYS 54 H LYS 54 -5.592 -0.216 5.383 443 HA LYS 54 HA LYS 54 -6.474 2.509 5.843 444 HB2 LYS 54 HB2 LYS 54 -7.921 1.650 7.678 445 HB3 LYS 54 HB3 LYS 54 -8.413 1.089 6.081 446 HG2 LYS 54 HG2 LYS 54 -8.695 -0.772 7.434 447 HG3 LYS 54 HG3 LYS 54 -7.067 -1.008 6.790 448 HD2 LYS 54 HD2 LYS 54 -6.974 -1.489 9.153 449 HD3 LYS 54 HD3 LYS 54 -6.189 0.068 8.822 450 HE2 LYS 54 HE2 LYS 54 -8.098 1.291 9.617 451 HE3 LYS 54 HE3 LYS 54 -9.023 -0.199 9.802 452 HZ1 LYS 54 HZ1 LYS 54 -8.186 0.577 11.919 453 HZ2 LYS 54 HZ2 LYS 54 -6.598 0.556 11.344 454 HZ3 LYS 54 HZ3 LYS 54 -7.433 -0.882 11.512 455 H LEU 55 H LEU 55 -3.848 0.920 6.277 456 HA LEU 55 HA LEU 55 -3.129 1.204 8.922 457 HB2 LEU 55 HB2 LEU 55 -1.611 1.232 6.408 458 HB3 LEU 55 HB3 LEU 55 -0.773 1.783 7.827 459 HG LEU 55 HG LEU 55 -2.030 -0.955 7.464 460 HD11 LEU 55 HD11 LEU 55 0.846 -0.076 7.614 461 HD12 LEU 55 HD12 LEU 55 -0.000 -0.511 6.128 462 HD13 LEU 55 HD13 LEU 55 0.268 -1.725 7.384 463 HD21 LEU 55 HD21 LEU 55 -2.075 -0.257 9.797 464 HD22 LEU 55 HD22 LEU 55 -0.372 0.212 9.677 465 HD23 LEU 55 HD23 LEU 55 -0.815 -1.471 9.515 466 H LYS 56 H LYS 56 -2.253 2.640 10.119 467 HA LYS 56 HA LYS 56 -3.130 5.242 10.190 468 HB2 LYS 56 HB2 LYS 56 -2.287 4.008 12.078 469 HB3 LYS 56 HB3 LYS 56 -0.675 3.989 11.387 470 HG2 LYS 56 HG2 LYS 56 -0.626 6.460 11.601 471 HG3 LYS 56 HG3 LYS 56 -2.185 6.368 12.434 472 HD2 LYS 56 HD2 LYS 56 -1.208 4.904 14.118 473 HD3 LYS 56 HD3 LYS 56 0.344 4.976 13.290 474 HE2 LYS 56 HE2 LYS 56 0.406 7.402 13.670 475 HE3 LYS 56 HE3 LYS 56 -1.119 7.288 14.546 476 HZ1 LYS 56 HZ1 LYS 56 1.427 5.969 15.306 477 HZ2 LYS 56 HZ2 LYS 56 -0.029 5.809 16.139 478 HZ3 LYS 56 HZ3 LYS 56 0.747 7.302 16.061 479 H TRP 57 H TRP 57 0.097 4.061 9.186 480 HA TRP 57 HA TRP 57 0.797 6.748 8.473 481 HB2 TRP 57 HB2 TRP 57 3.033 5.926 7.990 482 HB3 TRP 57 HB3 TRP 57 2.494 5.349 9.556 483 HD1 TRP 57 HD1 TRP 57 2.265 2.674 9.836 484 HE1 TRP 57 HE1 TRP 57 3.118 0.734 8.400 485 HE3 TRP 57 HE3 TRP 57 3.338 5.250 5.593 486 HZ2 TRP 57 HZ2 TRP 57 4.115 0.342 5.780 487 HZ3 TRP 57 HZ3 TRP 57 4.237 4.052 3.673 488 HH2 TRP 57 HH2 TRP 57 4.615 1.675 3.740 489 H ILE 58 H ILE 58 -0.604 4.130 6.895 490 HA ILE 58 HA ILE 58 0.285 4.870 4.286 491 HB ILE 58 HB ILE 58 -1.958 3.029 5.189 492 HG12 ILE 58 HG12 ILE 58 0.362 2.212 5.460 493 HG13 ILE 58 HG13 ILE 58 -0.522 1.251 4.291 494 HG21 ILE 58 HG21 ILE 58 -2.247 2.375 2.866 495 HG22 ILE 58 HG22 ILE 58 -1.067 3.602 2.390 496 HG23 ILE 58 HG23 ILE 58 -2.612 4.107 3.093 497 HD11 ILE 58 HD11 ILE 58 1.716 1.664 3.517 498 HD12 ILE 58 HD12 ILE 58 1.482 3.403 3.653 499 HD13 ILE 58 HD13 ILE 58 0.559 2.483 2.469 500 H GLN 59 H GLN 59 -2.462 5.602 6.315 501 HA GLN 59 HA GLN 59 -3.789 7.221 4.459 502 HB2 GLN 59 HB2 GLN 59 -3.694 7.350 7.467 503 HB3 GLN 59 HB3 GLN 59 -4.684 8.434 6.500 504 HG2 GLN 59 HG2 GLN 59 -4.892 5.430 6.554 505 HG3 GLN 59 HG3 GLN 59 -5.991 6.561 7.349 506 HE21 GLN 59 HE21 GLN 59 -5.007 5.171 4.324 507 HE22 GLN 59 HE22 GLN 59 -6.277 5.827 3.373 508 H GLU 60 H GLU 60 -1.277 7.963 6.803 509 HA GLU 60 HA GLU 60 -0.881 10.688 6.299 510 HB2 GLU 60 HB2 GLU 60 1.192 8.549 6.838 511 HB3 GLU 60 HB3 GLU 60 1.432 10.275 7.041 512 HG2 GLU 60 HG2 GLU 60 -0.616 8.689 8.564 513 HG3 GLU 60 HG3 GLU 60 1.024 8.968 9.142 514 H TYR 61 H TYR 61 0.585 7.863 4.750 515 HA TYR 61 HA TYR 61 2.215 8.986 2.827 516 HB2 TYR 61 HB2 TYR 61 2.218 6.560 3.229 517 HB3 TYR 61 HB3 TYR 61 0.552 6.475 2.794 518 HD1 TYR 61 HD1 TYR 61 3.679 7.721 1.123 519 HD2 TYR 61 HD2 TYR 61 0.075 5.492 0.859 520 HE1 TYR 61 HE1 TYR 61 4.205 7.147 -1.224 521 HE2 TYR 61 HE2 TYR 61 0.538 4.920 -1.430 522 HH TYR 61 HH TYR 61 3.629 5.440 -2.867 523 H LEU 62 H LEU 62 -1.139 7.996 2.410 524 HA LEU 62 HA LEU 62 -1.304 8.896 -0.240 525 HB2 LEU 62 HB2 LEU 62 -3.302 7.948 1.727 526 HB3 LEU 62 HB3 LEU 62 -3.729 8.409 0.079 527 HG LEU 62 HG LEU 62 -1.490 6.504 0.523 528 HD11 LEU 62 HD11 LEU 62 -2.978 4.717 0.241 529 HD12 LEU 62 HD12 LEU 62 -4.388 5.846 0.381 530 HD13 LEU 62 HD13 LEU 62 -3.220 5.618 1.738 531 HD21 LEU 62 HD21 LEU 62 -1.781 7.445 -1.683 532 HD22 LEU 62 HD22 LEU 62 -3.468 6.923 -1.675 533 HD23 LEU 62 HD23 LEU 62 -2.179 5.722 -1.674 534 H GLU 63 H GLU 63 -2.484 10.220 2.791 535 HA GLU 63 HA GLU 63 -3.743 12.487 1.737 536 HB2 GLU 63 HB2 GLU 63 -2.313 12.019 4.326 537 HB3 GLU 63 HB3 GLU 63 -3.168 13.511 4.052 538 HG2 GLU 63 HG2 GLU 63 -4.313 10.723 4.130 539 HG3 GLU 63 HG3 GLU 63 -4.538 11.995 5.328 540 H LYS 64 H LYS 64 -0.414 11.892 2.617 541 HA LYS 64 HA LYS 64 0.697 14.410 2.179 542 HB2 LYS 64 HB2 LYS 64 1.900 12.644 3.279 543 HB3 LYS 64 HB3 LYS 64 1.851 11.667 1.834 544 HG2 LYS 64 HG2 LYS 64 3.979 12.524 1.891 545 HG3 LYS 64 HG3 LYS 64 3.133 13.392 0.671 546 HD2 LYS 64 HD2 LYS 64 4.455 15.000 2.009 547 HD3 LYS 64 HD3 LYS 64 2.723 15.324 2.098 548 HE2 LYS 64 HE2 LYS 64 2.643 14.179 4.279 549 HE3 LYS 64 HE3 LYS 64 4.375 13.872 4.171 550 HZ1 LYS 64 HZ1 LYS 64 3.917 15.781 5.549 551 HZ2 LYS 64 HZ2 LYS 64 3.044 16.511 4.306 552 HZ3 LYS 64 HZ3 LYS 64 4.699 16.302 4.143 553 H ALA 65 H ALA 65 1.120 11.625 0.103 554 HA ALA 65 HA ALA 65 2.091 12.937 -2.129 555 HB1 ALA 65 HB1 ALA 65 1.606 10.969 -3.411 556 HB2 ALA 65 HB2 ALA 65 0.447 10.435 -2.197 557 HB3 ALA 65 HB3 ALA 65 2.174 10.510 -1.799 558 H LEU 66 H LEU 66 -1.327 12.452 -1.319 559 HA LEU 66 HA LEU 66 -2.155 13.385 -3.869 560 HB2 LEU 66 HB2 LEU 66 -3.691 13.021 -1.311 561 HB3 LEU 66 HB3 LEU 66 -4.451 13.542 -2.813 562 HG LEU 66 HG LEU 66 -3.100 10.890 -2.282 563 HD11 LEU 66 HD11 LEU 66 -5.997 11.586 -2.717 564 HD12 LEU 66 HD12 LEU 66 -5.257 11.097 -1.193 565 HD13 LEU 66 HD13 LEU 66 -5.340 9.960 -2.539 566 HD21 LEU 66 HD21 LEU 66 -4.477 11.900 -4.770 567 HD22 LEU 66 HD22 LEU 66 -3.933 10.247 -4.505 568 HD23 LEU 66 HD23 LEU 66 -2.756 11.554 -4.604 569 H ASN 67 H ASN 67 -1.603 14.918 -0.739 570 HA ASN 67 HA ASN 67 -2.594 17.482 -1.679 571 HB2 ASN 67 HB2 ASN 67 -2.966 16.878 0.644 572 HB3 ASN 67 HB3 ASN 67 -1.246 16.638 0.892 573 HD21 ASN 67 HD21 ASN 67 0.052 18.409 1.284 574 HD22 ASN 67 HD22 ASN 67 -0.573 19.984 1.548 575 H LYS 68 H LYS 68 0.411 15.838 -1.500 576 HA LYS 68 HA LYS 68 2.238 17.953 -1.450 577 HB2 LYS 68 HB2 LYS 68 2.782 15.597 -0.947 578 HB3 LYS 68 HB3 LYS 68 2.523 15.206 -2.630 579 HG2 LYS 68 HG2 LYS 68 4.410 16.604 -3.277 580 HG3 LYS 68 HG3 LYS 68 4.665 17.051 -1.589 581 HD2 LYS 68 HD2 LYS 68 5.048 14.759 -1.011 582 HD3 LYS 68 HD3 LYS 68 4.758 14.252 -2.678 583 HE2 LYS 68 HE2 LYS 68 6.693 15.629 -3.392 584 HE3 LYS 68 HE3 LYS 68 6.995 16.040 -1.706 585 HZ1 LYS 68 HZ1 LYS 68 7.110 13.302 -2.866 586 HZ2 LYS 68 HZ2 LYS 68 7.364 13.666 -1.250 587 HZ3 LYS 68 HZ3 LYS 68 8.428 14.232 -2.428 Start of MODEL 17 1 H LYS 1 H LYS 1 -7.513 -31.412 -8.241 2 HA LYS 1 HA LYS 1 -8.492 -30.777 -5.545 3 HB2 LYS 1 HB2 LYS 1 -6.721 -32.479 -5.526 4 HB3 LYS 1 HB3 LYS 1 -5.728 -31.471 -6.570 5 HG2 LYS 1 HG2 LYS 1 -5.640 -29.767 -4.784 6 HG3 LYS 1 HG3 LYS 1 -6.566 -30.837 -3.741 7 HD2 LYS 1 HD2 LYS 1 -3.852 -31.442 -4.921 8 HD3 LYS 1 HD3 LYS 1 -4.161 -30.924 -3.270 9 HE2 LYS 1 HE2 LYS 1 -5.515 -32.967 -2.922 10 HE3 LYS 1 HE3 LYS 1 -5.117 -33.481 -4.556 11 HZ1 LYS 1 HZ1 LYS 1 -3.663 -34.513 -2.899 12 HZ2 LYS 1 HZ2 LYS 1 -3.164 -32.998 -2.386 13 HZ3 LYS 1 HZ3 LYS 1 -2.771 -33.525 -3.928 14 HA PRO 2 HA PRO 2 -7.489 -26.747 -7.172 15 HB2 PRO 2 HB2 PRO 2 -8.575 -25.307 -5.122 16 HB3 PRO 2 HB3 PRO 2 -9.531 -25.965 -6.450 17 HG2 PRO 2 HG2 PRO 2 -9.344 -26.847 -3.653 18 HG3 PRO 2 HG3 PRO 2 -10.635 -27.127 -4.826 19 HD2 PRO 2 HD2 PRO 2 -8.601 -28.947 -4.010 20 HD3 PRO 2 HD3 PRO 2 -9.813 -29.182 -5.280 21 H VAL 3 H VAL 3 -5.416 -26.168 -6.973 22 HA VAL 3 HA VAL 3 -4.138 -26.376 -4.365 23 HB VAL 3 HB VAL 3 -1.994 -26.052 -5.552 24 HG11 VAL 3 HG11 VAL 3 -1.975 -28.168 -6.755 25 HG12 VAL 3 HG12 VAL 3 -3.738 -28.186 -6.775 26 HG13 VAL 3 HG13 VAL 3 -2.868 -28.299 -5.244 27 HG21 VAL 3 HG21 VAL 3 -1.925 -26.043 -8.008 28 HG22 VAL 3 HG22 VAL 3 -2.775 -24.628 -7.383 29 HG23 VAL 3 HG23 VAL 3 -3.688 -25.976 -8.057 30 H SER 4 H SER 4 -2.499 -24.607 -3.851 31 HA SER 4 HA SER 4 -3.998 -22.189 -3.944 32 HB2 SER 4 HB2 SER 4 -1.366 -22.740 -2.553 33 HB3 SER 4 HB3 SER 4 -2.354 -21.293 -2.355 34 HG SER 4 HG SER 4 -3.490 -23.804 -1.994 35 H LEU 5 H LEU 5 -3.855 -21.897 -6.153 36 HA LEU 5 HA LEU 5 -2.076 -19.865 -6.835 37 HB2 LEU 5 HB2 LEU 5 -0.537 -21.749 -7.336 38 HB3 LEU 5 HB3 LEU 5 -1.726 -22.427 -8.428 39 HG LEU 5 HG LEU 5 -1.503 -20.423 -9.869 40 HD11 LEU 5 HD11 LEU 5 -0.796 -18.802 -8.226 41 HD12 LEU 5 HD12 LEU 5 0.389 -18.905 -9.531 42 HD13 LEU 5 HD13 LEU 5 0.716 -19.672 -7.980 43 HD21 LEU 5 HD21 LEU 5 1.084 -21.871 -9.307 44 HD22 LEU 5 HD22 LEU 5 0.695 -20.974 -10.777 45 HD23 LEU 5 HD23 LEU 5 -0.212 -22.426 -10.368 46 H SER 6 H SER 6 -4.453 -19.506 -6.610 47 HA SER 6 HA SER 6 -5.422 -18.914 -9.238 48 HB2 SER 6 HB2 SER 6 -7.163 -20.457 -7.272 49 HB3 SER 6 HB3 SER 6 -7.673 -19.826 -8.839 50 HG SER 6 HG SER 6 -5.496 -21.307 -9.150 51 H TYR 7 H TYR 7 -5.094 -16.804 -8.641 52 HA TYR 7 HA TYR 7 -6.575 -15.928 -6.283 53 HB2 TYR 7 HB2 TYR 7 -3.934 -14.891 -7.304 54 HB3 TYR 7 HB3 TYR 7 -4.857 -14.186 -5.980 55 HD1 TYR 7 HD1 TYR 7 -5.311 -15.629 -3.957 56 HD2 TYR 7 HD2 TYR 7 -2.450 -16.695 -6.905 57 HE1 TYR 7 HE1 TYR 7 -4.273 -17.186 -2.374 58 HE2 TYR 7 HE2 TYR 7 -1.396 -18.260 -5.324 59 HH TYR 7 HH TYR 7 -2.946 -19.145 -2.427 60 H ARG 8 H ARG 8 -8.140 -14.610 -6.669 61 HA ARG 8 HA ARG 8 -8.350 -13.313 -9.250 62 HB2 ARG 8 HB2 ARG 8 -10.541 -12.528 -8.512 63 HB3 ARG 8 HB3 ARG 8 -10.392 -14.235 -8.129 64 HG2 ARG 8 HG2 ARG 8 -9.963 -13.717 -5.811 65 HG3 ARG 8 HG3 ARG 8 -9.960 -11.992 -6.176 66 HD2 ARG 8 HD2 ARG 8 -12.336 -12.203 -6.884 67 HD3 ARG 8 HD3 ARG 8 -12.295 -13.897 -6.384 68 HE ARG 8 HE ARG 8 -11.431 -12.426 -4.228 69 HH11 ARG 8 HH11 ARG 8 -14.439 -12.720 -6.082 70 HH12 ARG 8 HH12 ARG 8 -15.444 -12.272 -4.791 71 HH21 ARG 8 HH21 ARG 8 -12.819 -11.777 -2.463 72 HH22 ARG 8 HH22 ARG 8 -14.508 -11.707 -2.684 73 H CYS 9 H CYS 9 -7.390 -12.618 -6.014 74 HA CYS 9 HA CYS 9 -7.186 -9.763 -6.625 75 HB2 CYS 9 HB2 CYS 9 -7.180 -11.154 -3.938 76 HB3 CYS 9 HB3 CYS 9 -7.174 -9.425 -4.222 77 HA PRO 10 HA PRO 10 -2.729 -10.404 -6.567 78 HB2 PRO 10 HB2 PRO 10 -2.578 -7.468 -5.889 79 HB3 PRO 10 HB3 PRO 10 -1.922 -8.376 -7.238 80 HG2 PRO 10 HG2 PRO 10 -4.039 -6.763 -7.525 81 HG3 PRO 10 HG3 PRO 10 -3.812 -8.230 -8.487 82 HD2 PRO 10 HD2 PRO 10 -5.616 -7.773 -6.140 83 HD3 PRO 10 HD3 PRO 10 -5.896 -8.700 -7.623 84 H CYS 11 H CYS 11 -4.400 -8.588 -4.009 85 HA CYS 11 HA CYS 11 -2.615 -9.884 -2.128 86 HB2 CYS 11 HB2 CYS 11 -3.343 -6.974 -2.130 87 HB3 CYS 11 HB3 CYS 11 -2.691 -7.799 -0.719 88 H ARG 12 H ARG 12 -3.728 -11.180 -1.041 89 HA ARG 12 HA ARG 12 -6.507 -10.765 -0.304 90 HB2 ARG 12 HB2 ARG 12 -4.479 -12.867 0.451 91 HB3 ARG 12 HB3 ARG 12 -6.186 -12.919 0.858 92 HG2 ARG 12 HG2 ARG 12 -6.787 -13.187 -1.435 93 HG3 ARG 12 HG3 ARG 12 -5.127 -12.881 -1.954 94 HD2 ARG 12 HD2 ARG 12 -5.968 -15.161 -0.184 95 HD3 ARG 12 HD3 ARG 12 -5.722 -15.297 -1.925 96 HE ARG 12 HE ARG 12 -3.398 -14.363 -1.329 97 HH11 ARG 12 HH11 ARG 12 -5.186 -16.623 0.731 98 HH12 ARG 12 HH12 ARG 12 -3.806 -17.422 1.294 99 HH21 ARG 12 HH21 ARG 12 -1.493 -15.489 -0.536 100 HH22 ARG 12 HH22 ARG 12 -1.656 -16.755 0.591 101 H PHE 13 H PHE 13 -3.399 -11.239 1.252 102 HA PHE 13 HA PHE 13 -4.352 -10.134 3.761 103 HB2 PHE 13 HB2 PHE 13 -2.226 -11.068 4.649 104 HB3 PHE 13 HB3 PHE 13 -3.232 -12.301 3.899 105 HD1 PHE 13 HD1 PHE 13 -0.130 -10.357 3.605 106 HD2 PHE 13 HD2 PHE 13 -2.551 -13.384 1.847 107 HE1 PHE 13 HE1 PHE 13 1.737 -10.999 2.146 108 HE2 PHE 13 HE2 PHE 13 -0.686 -14.028 0.388 109 HZ PHE 13 HZ PHE 13 1.454 -12.837 0.531 110 H PHE 14 H PHE 14 -3.088 -8.527 4.768 111 HA PHE 14 HA PHE 14 -1.102 -7.062 3.162 112 HB2 PHE 14 HB2 PHE 14 -3.318 -5.887 4.766 113 HB3 PHE 14 HB3 PHE 14 -2.114 -4.965 3.879 114 HD1 PHE 14 HD1 PHE 14 -2.201 -5.168 1.323 115 HD2 PHE 14 HD2 PHE 14 -5.351 -6.455 3.860 116 HE1 PHE 14 HE1 PHE 14 -3.753 -5.078 -0.564 117 HE2 PHE 14 HE2 PHE 14 -6.918 -6.366 1.978 118 HZ PHE 14 HZ PHE 14 -6.127 -5.679 -0.242 119 H GLU 15 H GLU 15 0.432 -6.081 4.448 120 HA GLU 15 HA GLU 15 0.588 -7.211 7.094 121 HB2 GLU 15 HB2 GLU 15 2.545 -5.543 5.535 122 HB3 GLU 15 HB3 GLU 15 2.846 -6.230 7.122 123 HG2 GLU 15 HG2 GLU 15 2.283 -7.721 4.617 124 HG3 GLU 15 HG3 GLU 15 3.885 -7.463 5.305 125 H SER 16 H SER 16 0.321 -6.111 8.826 126 HA SER 16 HA SER 16 0.018 -3.208 8.660 127 HB2 SER 16 HB2 SER 16 -1.005 -5.129 10.783 128 HB3 SER 16 HB3 SER 16 -1.207 -3.378 10.848 129 HG SER 16 HG SER 16 -2.090 -4.885 8.614 130 H HIS 17 H HIS 17 2.153 -5.444 9.196 131 HA HIS 17 HA HIS 17 3.672 -4.527 11.550 132 HB2 HIS 17 HB2 HIS 17 3.330 -6.922 10.990 133 HB3 HIS 17 HB3 HIS 17 4.139 -6.665 9.457 134 HD1 HIS 17 HD1 HIS 17 6.605 -6.935 9.453 135 HD2 HIS 17 HD2 HIS 17 5.051 -6.631 13.273 136 HE1 HIS 17 HE1 HIS 17 8.505 -7.359 10.964 137 HE2 HIS 17 HE2 HIS 17 7.615 -6.949 13.266 138 H VAL 18 H VAL 18 3.250 -3.048 8.789 139 HA VAL 18 HA VAL 18 5.977 -3.025 7.869 140 HB VAL 18 HB VAL 18 3.690 -1.400 6.797 141 HG11 VAL 18 HG11 VAL 18 5.092 -1.246 4.770 142 HG12 VAL 18 HG12 VAL 18 6.351 -2.160 5.589 143 HG13 VAL 18 HG13 VAL 18 5.907 -0.563 6.182 144 HG21 VAL 18 HG21 VAL 18 3.157 -3.785 6.649 145 HG22 VAL 18 HG22 VAL 18 4.704 -4.101 5.875 146 HG23 VAL 18 HG23 VAL 18 3.492 -3.128 5.055 147 H ALA 19 H ALA 19 7.424 -1.683 8.603 148 HA ALA 19 HA ALA 19 6.655 0.869 9.796 149 HB1 ALA 19 HB1 ALA 19 9.063 0.919 10.463 150 HB2 ALA 19 HB2 ALA 19 9.286 -0.635 9.656 151 HB3 ALA 19 HB3 ALA 19 8.233 -0.524 11.065 152 H ARG 20 H ARG 20 7.177 2.794 8.688 153 HA ARG 20 HA ARG 20 7.643 2.481 5.922 154 HB2 ARG 20 HB2 ARG 20 6.331 4.373 6.774 155 HB3 ARG 20 HB3 ARG 20 7.779 5.056 7.504 156 HG2 ARG 20 HG2 ARG 20 8.781 5.412 5.359 157 HG3 ARG 20 HG3 ARG 20 7.476 4.541 4.556 158 HD2 ARG 20 HD2 ARG 20 5.915 6.201 5.310 159 HD3 ARG 20 HD3 ARG 20 7.227 7.146 6.058 160 HE ARG 20 HE ARG 20 7.919 6.718 3.431 161 HH11 ARG 20 HH11 ARG 20 5.300 8.381 5.140 162 HH12 ARG 20 HH12 ARG 20 4.959 9.459 3.884 163 HH21 ARG 20 HH21 ARG 20 7.434 8.177 1.668 164 HH22 ARG 20 HH22 ARG 20 6.223 9.355 1.853 165 H ALA 21 H ALA 21 9.727 3.065 8.555 166 HA ALA 21 HA ALA 21 12.029 3.890 7.140 167 HB1 ALA 21 HB1 ALA 21 11.804 4.139 9.555 168 HB2 ALA 21 HB2 ALA 21 13.246 3.207 9.159 169 HB3 ALA 21 HB3 ALA 21 11.799 2.386 9.745 170 H ASN 22 H ASN 22 10.394 0.910 7.172 171 HA ASN 22 HA ASN 22 12.813 -0.596 6.484 172 HB2 ASN 22 HB2 ASN 22 11.629 -1.344 8.513 173 HB3 ASN 22 HB3 ASN 22 10.161 -1.551 7.579 174 HD21 ASN 22 HD21 ASN 22 10.006 -3.670 8.180 175 HD22 ASN 22 HD22 ASN 22 11.025 -4.920 7.614 176 H VAL 23 H VAL 23 10.241 0.915 4.956 177 HA VAL 23 HA VAL 23 9.973 -1.239 2.995 178 HB VAL 23 HB VAL 23 7.863 -0.245 3.845 179 HG11 VAL 23 HG11 VAL 23 7.175 2.003 3.186 180 HG12 VAL 23 HG12 VAL 23 8.761 2.273 2.471 181 HG13 VAL 23 HG13 VAL 23 8.614 2.040 4.209 182 HG21 VAL 23 HG21 VAL 23 6.784 0.101 1.684 183 HG22 VAL 23 HG22 VAL 23 7.892 -1.271 1.661 184 HG23 VAL 23 HG23 VAL 23 8.369 0.261 0.924 185 H LYS 24 H LYS 24 10.654 -1.084 0.904 186 HA LYS 24 HA LYS 24 12.460 1.180 0.307 187 HB2 LYS 24 HB2 LYS 24 13.372 -0.142 -1.461 188 HB3 LYS 24 HB3 LYS 24 13.434 -1.055 0.032 189 HG2 LYS 24 HG2 LYS 24 11.737 -2.515 -0.640 190 HG3 LYS 24 HG3 LYS 24 11.195 -1.430 -1.913 191 HD2 LYS 24 HD2 LYS 24 13.805 -2.982 -1.897 192 HD3 LYS 24 HD3 LYS 24 12.342 -3.323 -2.845 193 HE2 LYS 24 HE2 LYS 24 12.531 -1.101 -3.882 194 HE3 LYS 24 HE3 LYS 24 14.023 -0.837 -3.069 195 HZ1 LYS 24 HZ1 LYS 24 14.339 -1.646 -5.338 196 HZ2 LYS 24 HZ2 LYS 24 13.608 -3.093 -4.936 197 HZ3 LYS 24 HZ3 LYS 24 15.070 -2.663 -4.207 198 H HIS 25 H HIS 25 9.609 -0.377 -0.969 199 HA HIS 25 HA HIS 25 9.285 1.737 -2.929 200 HB2 HIS 25 HB2 HIS 25 10.861 0.276 -4.038 201 HB3 HIS 25 HB3 HIS 25 9.910 -1.124 -3.616 202 HD1 HIS 25 HD1 HIS 25 8.453 1.966 -5.342 203 HD2 HIS 25 HD2 HIS 25 9.492 -1.972 -6.075 204 HE1 HIS 25 HE1 HIS 25 7.503 1.462 -7.598 205 HE2 HIS 25 HE2 HIS 25 8.255 -0.865 -8.120 206 H LEU 26 H LEU 26 7.210 2.165 -3.006 207 HA LEU 26 HA LEU 26 5.217 0.173 -2.174 208 HB2 LEU 26 HB2 LEU 26 5.077 3.099 -2.664 209 HB3 LEU 26 HB3 LEU 26 3.728 2.157 -2.057 210 HG LEU 26 HG LEU 26 6.325 2.731 -0.587 211 HD11 LEU 26 HD11 LEU 26 4.933 4.093 0.885 212 HD12 LEU 26 HD12 LEU 26 3.538 3.782 -0.146 213 HD13 LEU 26 HD13 LEU 26 4.910 4.697 -0.771 214 HD21 LEU 26 HD21 LEU 26 5.403 0.573 0.041 215 HD22 LEU 26 HD22 LEU 26 3.826 1.315 0.330 216 HD23 LEU 26 HD23 LEU 26 5.200 1.755 1.339 217 H LYS 27 H LYS 27 3.809 -0.596 -3.674 218 HA LYS 27 HA LYS 27 3.418 0.804 -6.196 219 HB2 LYS 27 HB2 LYS 27 5.288 -0.978 -6.335 220 HB3 LYS 27 HB3 LYS 27 4.060 -2.140 -5.992 221 HG2 LYS 27 HG2 LYS 27 3.673 -0.363 -8.360 222 HG3 LYS 27 HG3 LYS 27 4.823 -1.685 -8.451 223 HD2 LYS 27 HD2 LYS 27 1.927 -2.017 -7.664 224 HD3 LYS 27 HD3 LYS 27 2.535 -2.234 -9.312 225 HE2 LYS 27 HE2 LYS 27 4.101 -3.969 -8.436 226 HE3 LYS 27 HE3 LYS 27 3.344 -3.817 -6.865 227 HZ1 LYS 27 HZ1 LYS 27 2.484 -5.674 -8.116 228 HZ2 LYS 27 HZ2 LYS 27 1.991 -4.682 -9.359 229 HZ3 LYS 27 HZ3 LYS 27 1.255 -4.563 -7.838 230 H ILE 28 H ILE 28 1.338 1.254 -5.775 231 HA ILE 28 HA ILE 28 -0.316 -0.734 -4.414 232 HB ILE 28 HB ILE 28 -1.047 2.153 -5.031 233 HG12 ILE 28 HG12 ILE 28 0.068 0.887 -2.552 234 HG13 ILE 28 HG13 ILE 28 0.955 2.003 -3.588 235 HG21 ILE 28 HG21 ILE 28 -2.952 0.621 -4.578 236 HG22 ILE 28 HG22 ILE 28 -2.731 1.794 -3.273 237 HG23 ILE 28 HG23 ILE 28 -2.167 0.139 -3.071 238 HD11 ILE 28 HD11 ILE 28 0.184 3.085 -1.567 239 HD12 ILE 28 HD12 ILE 28 -1.471 2.606 -1.891 240 HD13 ILE 28 HD13 ILE 28 -0.665 3.774 -2.955 241 H LEU 29 H LEU 29 -2.076 -1.726 -5.316 242 HA LEU 29 HA LEU 29 -2.640 -1.199 -8.157 243 HB2 LEU 29 HB2 LEU 29 -3.174 -3.726 -6.605 244 HB3 LEU 29 HB3 LEU 29 -3.411 -3.480 -8.318 245 HG LEU 29 HG LEU 29 -0.837 -3.768 -6.818 246 HD11 LEU 29 HD11 LEU 29 -2.061 -5.318 -9.052 247 HD12 LEU 29 HD12 LEU 29 -1.921 -5.805 -7.362 248 HD13 LEU 29 HD13 LEU 29 -0.469 -5.600 -8.342 249 HD21 LEU 29 HD21 LEU 29 -0.587 -1.921 -8.413 250 HD22 LEU 29 HD22 LEU 29 -1.222 -2.948 -9.697 251 HD23 LEU 29 HD23 LEU 29 0.322 -3.342 -8.929 252 H ASN 30 H ASN 30 -4.677 -0.753 -8.708 253 HA ASN 30 HA ASN 30 -6.683 -0.894 -6.591 254 HB2 ASN 30 HB2 ASN 30 -7.972 0.830 -7.838 255 HB3 ASN 30 HB3 ASN 30 -6.366 1.413 -7.449 256 HD21 ASN 30 HD21 ASN 30 -4.891 1.782 -9.132 257 HD22 ASN 30 HD22 ASN 30 -5.364 1.795 -10.785 258 H THR 31 H THR 31 -7.969 -2.604 -6.748 259 HA THR 31 HA THR 31 -8.513 -3.603 -9.438 260 HB THR 31 HB THR 31 -8.406 -5.164 -6.858 261 HG1 THR 31 HG1 THR 31 -6.516 -4.761 -8.949 262 HG21 THR 31 HG21 THR 31 -8.457 -7.149 -8.364 263 HG22 THR 31 HG22 THR 31 -8.643 -6.046 -9.732 264 HG23 THR 31 HG23 THR 31 -9.908 -6.148 -8.513 265 HA PRO 32 HA PRO 32 -12.617 -2.211 -8.402 266 HB2 PRO 32 HB2 PRO 32 -13.958 -3.426 -10.436 267 HB3 PRO 32 HB3 PRO 32 -12.981 -1.973 -10.648 268 HG2 PRO 32 HG2 PRO 32 -12.274 -4.829 -11.198 269 HG3 PRO 32 HG3 PRO 32 -11.943 -3.390 -12.179 270 HD2 PRO 32 HD2 PRO 32 -10.071 -4.532 -10.608 271 HD3 PRO 32 HD3 PRO 32 -10.115 -2.780 -10.874 272 H ASN 33 H ASN 33 -11.624 -5.340 -7.998 273 HA ASN 33 HA ASN 33 -14.234 -6.121 -6.871 274 HB2 ASN 33 HB2 ASN 33 -12.394 -7.963 -8.425 275 HB3 ASN 33 HB3 ASN 33 -13.822 -8.472 -7.550 276 HD21 ASN 33 HD21 ASN 33 -15.370 -6.084 -8.494 277 HD22 ASN 33 HD22 ASN 33 -15.727 -6.413 -10.126 278 H CYS 34 H CYS 34 -11.054 -5.452 -6.313 279 HA CYS 34 HA CYS 34 -10.960 -7.263 -4.049 280 HB2 CYS 34 HB2 CYS 34 -8.812 -6.885 -6.101 281 HB3 CYS 34 HB3 CYS 34 -8.563 -7.644 -4.540 282 H ALA 35 H ALA 35 -11.186 -4.248 -4.853 283 HA ALA 35 HA ALA 35 -10.906 -2.335 -3.732 284 HB1 ALA 35 HB1 ALA 35 -9.452 -3.969 -1.746 285 HB2 ALA 35 HB2 ALA 35 -11.213 -3.814 -1.810 286 HB3 ALA 35 HB3 ALA 35 -10.200 -2.385 -1.439 287 H LEU 36 H LEU 36 -8.754 -1.322 -2.148 288 HA LEU 36 HA LEU 36 -6.844 -0.882 -4.165 289 HB2 LEU 36 HB2 LEU 36 -8.015 0.924 -3.007 290 HB3 LEU 36 HB3 LEU 36 -7.482 0.294 -1.465 291 HG LEU 36 HG LEU 36 -5.279 0.579 -2.160 292 HD11 LEU 36 HD11 LEU 36 -6.520 2.157 -4.456 293 HD12 LEU 36 HD12 LEU 36 -5.494 0.730 -4.601 294 HD13 LEU 36 HD13 LEU 36 -4.807 2.261 -4.057 295 HD21 LEU 36 HD21 LEU 36 -5.202 3.068 -1.775 296 HD22 LEU 36 HD22 LEU 36 -6.234 2.166 -0.664 297 HD23 LEU 36 HD23 LEU 36 -6.953 3.077 -1.993 298 H GLN 37 H GLN 37 -5.083 -2.137 -4.079 299 HA GLN 37 HA GLN 37 -4.341 -3.468 -1.563 300 HB2 GLN 37 HB2 GLN 37 -4.325 -4.331 -4.415 301 HB3 GLN 37 HB3 GLN 37 -3.364 -5.146 -3.202 302 HG2 GLN 37 HG2 GLN 37 -5.197 -6.068 -2.159 303 HG3 GLN 37 HG3 GLN 37 -6.264 -4.763 -2.670 304 HE21 GLN 37 HE21 GLN 37 -5.742 -4.719 -5.297 305 HE22 GLN 37 HE22 GLN 37 -6.311 -6.134 -6.081 306 H ILE 38 H ILE 38 -2.345 -2.970 -0.857 307 HA ILE 38 HA ILE 38 -0.603 -1.429 -2.630 308 HB ILE 38 HB ILE 38 -0.537 -1.890 0.321 309 HG12 ILE 38 HG12 ILE 38 -1.436 0.567 -1.184 310 HG13 ILE 38 HG13 ILE 38 -2.495 -0.607 -0.407 311 HG21 ILE 38 HG21 ILE 38 1.691 -1.397 -0.426 312 HG22 ILE 38 HG22 ILE 38 1.085 0.084 0.326 313 HG23 ILE 38 HG23 ILE 38 1.156 -0.057 -1.419 314 HD11 ILE 38 HD11 ILE 38 -1.575 -0.041 1.741 315 HD12 ILE 38 HD12 ILE 38 -2.199 1.389 0.890 316 HD13 ILE 38 HD13 ILE 38 -0.453 1.097 0.933 317 H VAL 39 H VAL 39 1.322 -2.298 -3.304 318 HA VAL 39 HA VAL 39 2.280 -4.759 -2.012 319 HB VAL 39 HB VAL 39 2.747 -3.735 -4.823 320 HG11 VAL 39 HG11 VAL 39 4.655 -4.936 -4.076 321 HG12 VAL 39 HG12 VAL 39 3.800 -5.922 -5.255 322 HG13 VAL 39 HG13 VAL 39 3.673 -6.300 -3.528 323 HG21 VAL 39 HG21 VAL 39 1.407 -5.648 -5.587 324 HG22 VAL 39 HG22 VAL 39 0.471 -4.541 -4.579 325 HG23 VAL 39 HG23 VAL 39 1.058 -6.064 -3.910 326 H ALA 40 H ALA 40 4.148 -4.477 -0.957 327 HA ALA 40 HA ALA 40 5.982 -2.405 -1.880 328 HB1 ALA 40 HB1 ALA 40 6.265 -1.541 0.341 329 HB2 ALA 40 HB2 ALA 40 5.003 -2.631 0.931 330 HB3 ALA 40 HB3 ALA 40 4.599 -1.354 -0.216 331 H ARG 41 H ARG 41 8.180 -3.092 -1.565 332 HA ARG 41 HA ARG 41 8.483 -5.560 -0.165 333 HB2 ARG 41 HB2 ARG 41 9.167 -5.033 -2.576 334 HB3 ARG 41 HB3 ARG 41 10.519 -4.180 -1.839 335 HG2 ARG 41 HG2 ARG 41 11.206 -6.183 -0.711 336 HG3 ARG 41 HG3 ARG 41 9.632 -6.822 -1.304 337 HD2 ARG 41 HD2 ARG 41 10.332 -6.720 -3.546 338 HD3 ARG 41 HD3 ARG 41 11.901 -5.983 -3.041 339 HE ARG 41 HE ARG 41 11.811 -8.396 -1.801 340 HH11 ARG 41 HH11 ARG 41 11.593 -7.426 -5.219 341 HH12 ARG 41 HH12 ARG 41 12.213 -8.902 -5.793 342 HH21 ARG 41 HH21 ARG 41 12.646 -10.405 -2.631 343 HH22 ARG 41 HH22 ARG 41 12.814 -10.613 -4.316 344 H LEU 42 H LEU 42 9.953 -5.751 1.430 345 HA LEU 42 HA LEU 42 10.550 -3.319 2.913 346 HB2 LEU 42 HB2 LEU 42 11.296 -6.129 3.679 347 HB3 LEU 42 HB3 LEU 42 11.263 -4.742 4.686 348 HG LEU 42 HG LEU 42 8.743 -5.896 3.488 349 HD11 LEU 42 HD11 LEU 42 9.845 -6.153 6.273 350 HD12 LEU 42 HD12 LEU 42 9.639 -7.455 5.092 351 HD13 LEU 42 HD13 LEU 42 8.235 -6.638 5.757 352 HD21 LEU 42 HD21 LEU 42 9.167 -3.749 5.571 353 HD22 LEU 42 HD22 LEU 42 7.609 -4.406 5.067 354 HD23 LEU 42 HD23 LEU 42 8.594 -3.500 3.921 355 H LYS 43 H LYS 43 12.554 -2.699 3.557 356 HA LYS 43 HA LYS 43 14.625 -2.995 1.602 357 HB2 LYS 43 HB2 LYS 43 14.690 -1.609 4.284 358 HB3 LYS 43 HB3 LYS 43 15.906 -1.460 3.022 359 HG2 LYS 43 HG2 LYS 43 14.294 -0.439 1.565 360 HG3 LYS 43 HG3 LYS 43 13.023 -0.609 2.790 361 HD2 LYS 43 HD2 LYS 43 13.846 1.650 2.781 362 HD3 LYS 43 HD3 LYS 43 14.404 0.863 4.257 363 HE2 LYS 43 HE2 LYS 43 16.584 0.514 3.291 364 HE3 LYS 43 HE3 LYS 43 16.033 1.161 1.745 365 HZ1 LYS 43 HZ1 LYS 43 15.664 3.301 2.868 366 HZ2 LYS 43 HZ2 LYS 43 17.269 2.834 2.961 367 HZ3 LYS 43 HZ3 LYS 43 16.274 2.671 4.305 368 H ASN 44 H ASN 44 14.390 -3.708 5.061 369 HA ASN 44 HA ASN 44 16.998 -4.931 5.085 370 HB2 ASN 44 HB2 ASN 44 16.193 -3.660 7.012 371 HB3 ASN 44 HB3 ASN 44 14.867 -4.798 7.218 372 HD21 ASN 44 HD21 ASN 44 15.436 -5.476 9.221 373 HD22 ASN 44 HD22 ASN 44 16.872 -6.383 9.541 374 H ASN 45 H ASN 45 13.688 -5.982 5.129 375 HA ASN 45 HA ASN 45 14.542 -8.722 5.617 376 HB2 ASN 45 HB2 ASN 45 12.634 -7.725 6.876 377 HB3 ASN 45 HB3 ASN 45 11.726 -7.652 5.376 378 HD21 ASN 45 HD21 ASN 45 10.153 -8.935 6.394 379 HD22 ASN 45 HD22 ASN 45 10.392 -10.629 6.603 380 H ASN 46 H ASN 46 13.716 -6.742 2.955 381 HA ASN 46 HA ASN 46 13.613 -7.053 0.687 382 HB2 ASN 46 HB2 ASN 46 15.815 -8.168 1.166 383 HB3 ASN 46 HB3 ASN 46 14.984 -9.707 1.302 384 HD21 ASN 46 HD21 ASN 46 14.385 -10.769 -0.595 385 HD22 ASN 46 HD22 ASN 46 14.877 -10.254 -2.159 386 H ARG 47 H ARG 47 11.540 -8.428 2.552 387 HA ARG 47 HA ARG 47 10.440 -10.322 0.691 388 HB2 ARG 47 HB2 ARG 47 9.501 -9.326 3.344 389 HB3 ARG 47 HB3 ARG 47 8.573 -10.413 2.345 390 HG2 ARG 47 HG2 ARG 47 10.443 -12.045 2.496 391 HG3 ARG 47 HG3 ARG 47 11.229 -10.911 3.616 392 HD2 ARG 47 HD2 ARG 47 9.981 -12.511 4.951 393 HD3 ARG 47 HD3 ARG 47 9.300 -10.882 4.950 394 HE ARG 47 HE ARG 47 8.043 -12.480 2.990 395 HH11 ARG 47 HH11 ARG 47 8.037 -11.831 6.497 396 HH12 ARG 47 HH12 ARG 47 6.393 -12.181 6.688 397 HH21 ARG 47 HH21 ARG 47 5.770 -12.965 3.299 398 HH22 ARG 47 HH22 ARG 47 5.064 -12.840 4.838 399 H GLN 48 H GLN 48 8.772 -9.995 -0.497 400 HA GLN 48 HA GLN 48 7.803 -7.260 -0.795 401 HB2 GLN 48 HB2 GLN 48 8.709 -8.624 -2.725 402 HB3 GLN 48 HB3 GLN 48 7.343 -9.698 -2.521 403 HG2 GLN 48 HG2 GLN 48 5.863 -7.715 -2.908 404 HG3 GLN 48 HG3 GLN 48 7.345 -6.830 -3.234 405 HE21 GLN 48 HE21 GLN 48 8.464 -7.149 -5.126 406 HE22 GLN 48 HE22 GLN 48 7.860 -8.068 -6.435 407 H VAL 49 H VAL 49 5.951 -6.779 0.179 408 HA VAL 49 HA VAL 49 4.072 -8.945 0.709 409 HB VAL 49 HB VAL 49 3.639 -7.986 2.961 410 HG11 VAL 49 HG11 VAL 49 5.644 -8.860 4.078 411 HG12 VAL 49 HG12 VAL 49 6.498 -8.859 2.537 412 HG13 VAL 49 HG13 VAL 49 5.109 -9.919 2.773 413 HG21 VAL 49 HG21 VAL 49 4.449 -5.712 2.591 414 HG22 VAL 49 HG22 VAL 49 6.097 -6.309 2.407 415 HG23 VAL 49 HG23 VAL 49 5.279 -6.435 3.966 416 H CYS 50 H CYS 50 2.019 -7.833 1.672 417 HA CYS 50 HA CYS 50 1.418 -5.617 -0.123 418 HB2 CYS 50 HB2 CYS 50 -0.585 -7.382 1.324 419 HB3 CYS 50 HB3 CYS 50 -0.841 -6.236 0.053 420 H ILE 51 H ILE 51 0.279 -3.853 0.741 421 HA ILE 51 HA ILE 51 0.545 -3.681 3.650 422 HB ILE 51 HB ILE 51 0.910 -1.400 1.697 423 HG12 ILE 51 HG12 ILE 51 2.815 -3.097 3.258 424 HG13 ILE 51 HG13 ILE 51 2.785 -2.742 1.568 425 HG21 ILE 51 HG21 ILE 51 -0.105 -0.657 3.796 426 HG22 ILE 51 HG22 ILE 51 1.559 -0.085 3.646 427 HG23 ILE 51 HG23 ILE 51 1.190 -1.461 4.684 428 HD11 ILE 51 HD11 ILE 51 3.422 -0.436 1.888 429 HD12 ILE 51 HD12 ILE 51 4.604 -1.492 2.659 430 HD13 ILE 51 HD13 ILE 51 3.406 -0.646 3.638 431 H ASP 52 H ASP 52 -0.998 -2.812 4.799 432 HA ASP 52 HA ASP 52 -3.622 -2.786 3.682 433 HB2 ASP 52 HB2 ASP 52 -3.096 -3.772 5.714 434 HB3 ASP 52 HB3 ASP 52 -2.540 -2.277 6.434 435 HA PRO 53 HA PRO 53 -3.344 1.515 2.618 436 HB2 PRO 53 HB2 PRO 53 -6.052 1.893 2.228 437 HB3 PRO 53 HB3 PRO 53 -4.921 1.270 1.023 438 HG2 PRO 53 HG2 PRO 53 -6.798 -0.213 2.803 439 HG3 PRO 53 HG3 PRO 53 -6.350 -0.523 1.116 440 HD2 PRO 53 HD2 PRO 53 -5.360 -1.962 3.148 441 HD3 PRO 53 HD3 PRO 53 -4.397 -1.602 1.699 442 H LYS 54 H LYS 54 -5.193 0.341 5.315 443 HA LYS 54 HA LYS 54 -5.566 3.083 6.054 444 HB2 LYS 54 HB2 LYS 54 -7.160 2.317 7.773 445 HB3 LYS 54 HB3 LYS 54 -7.634 2.112 6.101 446 HG2 LYS 54 HG2 LYS 54 -6.953 -0.275 6.304 447 HG3 LYS 54 HG3 LYS 54 -6.719 0.022 8.032 448 HD2 LYS 54 HD2 LYS 54 -9.161 0.678 6.541 449 HD3 LYS 54 HD3 LYS 54 -9.001 -0.883 7.393 450 HE2 LYS 54 HE2 LYS 54 -8.689 0.450 9.500 451 HE3 LYS 54 HE3 LYS 54 -8.960 1.918 8.570 452 HZ1 LYS 54 HZ1 LYS 54 -10.928 -0.281 8.894 453 HZ2 LYS 54 HZ2 LYS 54 -11.169 1.154 8.042 454 HZ3 LYS 54 HZ3 LYS 54 -10.962 1.193 9.713 455 H LEU 55 H LEU 55 -3.121 1.109 6.537 456 HA LEU 55 HA LEU 55 -2.438 1.283 9.228 457 HB2 LEU 55 HB2 LEU 55 -0.921 1.492 6.685 458 HB3 LEU 55 HB3 LEU 55 -0.067 1.901 8.136 459 HG LEU 55 HG LEU 55 -1.369 -0.797 7.616 460 HD11 LEU 55 HD11 LEU 55 1.527 0.054 7.498 461 HD12 LEU 55 HD12 LEU 55 0.506 -0.265 6.099 462 HD13 LEU 55 HD13 LEU 55 0.891 -1.573 7.219 463 HD21 LEU 55 HD21 LEU 55 -1.109 -0.165 9.985 464 HD22 LEU 55 HD22 LEU 55 0.605 0.142 9.649 465 HD23 LEU 55 HD23 LEU 55 -0.026 -1.487 9.513 466 H LYS 56 H LYS 56 -1.361 2.922 10.430 467 HA LYS 56 HA LYS 56 -2.596 5.418 10.074 468 HB2 LYS 56 HB2 LYS 56 -1.871 4.558 12.282 469 HB3 LYS 56 HB3 LYS 56 -0.198 4.837 11.804 470 HG2 LYS 56 HG2 LYS 56 -0.664 7.228 11.561 471 HG3 LYS 56 HG3 LYS 56 -2.332 6.944 12.056 472 HD2 LYS 56 HD2 LYS 56 -1.068 7.783 13.926 473 HD3 LYS 56 HD3 LYS 56 -1.493 6.095 14.218 474 HE2 LYS 56 HE2 LYS 56 0.729 5.404 13.521 475 HE3 LYS 56 HE3 LYS 56 1.161 7.077 13.180 476 HZ1 LYS 56 HZ1 LYS 56 2.011 6.365 15.281 477 HZ2 LYS 56 HZ2 LYS 56 0.462 5.966 15.841 478 HZ3 LYS 56 HZ3 LYS 56 0.858 7.580 15.512 479 H TRP 57 H TRP 57 0.766 4.409 9.475 480 HA TRP 57 HA TRP 57 1.429 7.035 8.581 481 HB2 TRP 57 HB2 TRP 57 3.616 6.201 7.966 482 HB3 TRP 57 HB3 TRP 57 3.170 5.507 9.511 483 HD1 TRP 57 HD1 TRP 57 2.858 2.778 9.561 484 HE1 TRP 57 HE1 TRP 57 3.641 0.988 7.970 485 HE3 TRP 57 HE3 TRP 57 3.910 5.715 5.515 486 HZ2 TRP 57 HZ2 TRP 57 4.584 0.791 5.334 487 HZ3 TRP 57 HZ3 TRP 57 4.766 4.633 3.481 488 HH2 TRP 57 HH2 TRP 57 5.099 2.235 3.387 489 H ILE 58 H ILE 58 -0.022 4.350 7.114 490 HA ILE 58 HA ILE 58 0.536 5.174 4.433 491 HB ILE 58 HB ILE 58 -1.424 3.122 5.515 492 HG12 ILE 58 HG12 ILE 58 1.003 2.573 5.646 493 HG13 ILE 58 HG13 ILE 58 0.097 1.478 4.606 494 HG21 ILE 58 HG21 ILE 58 -1.714 2.398 3.219 495 HG22 ILE 58 HG22 ILE 58 -0.756 3.783 2.666 496 HG23 ILE 58 HG23 ILE 58 -2.312 4.045 3.479 497 HD11 ILE 58 HD11 ILE 58 2.226 2.043 3.615 498 HD12 ILE 58 HD12 ILE 58 1.840 3.760 3.698 499 HD13 ILE 58 HD13 ILE 58 0.910 2.696 2.643 500 H GLN 59 H GLN 59 -2.098 5.587 6.733 501 HA GLN 59 HA GLN 59 -3.749 7.013 4.964 502 HB2 GLN 59 HB2 GLN 59 -3.540 7.071 7.966 503 HB3 GLN 59 HB3 GLN 59 -4.684 8.081 7.095 504 HG2 GLN 59 HG2 GLN 59 -4.579 5.073 6.977 505 HG3 GLN 59 HG3 GLN 59 -5.706 6.018 7.952 506 HE21 GLN 59 HE21 GLN 59 -4.920 4.928 4.747 507 HE22 GLN 59 HE22 GLN 59 -6.349 5.465 3.980 508 H GLU 60 H GLU 60 -1.024 7.978 6.913 509 HA GLU 60 HA GLU 60 -1.126 10.757 6.383 510 HB2 GLU 60 HB2 GLU 60 1.259 8.946 6.836 511 HB3 GLU 60 HB3 GLU 60 1.308 10.704 6.878 512 HG2 GLU 60 HG2 GLU 60 -0.333 8.987 8.723 513 HG3 GLU 60 HG3 GLU 60 1.251 9.659 9.108 514 H TYR 61 H TYR 61 0.535 8.081 4.820 515 HA TYR 61 HA TYR 61 1.748 9.288 2.657 516 HB2 TYR 61 HB2 TYR 61 2.057 6.858 3.233 517 HB3 TYR 61 HB3 TYR 61 0.394 6.625 2.831 518 HD1 TYR 61 HD1 TYR 61 3.365 8.084 1.081 519 HD2 TYR 61 HD2 TYR 61 -0.071 5.604 0.915 520 HE1 TYR 61 HE1 TYR 61 3.862 7.556 -1.263 521 HE2 TYR 61 HE2 TYR 61 0.362 5.071 -1.380 522 HH TYR 61 HH TYR 61 3.387 5.820 -2.851 523 H LEU 62 H LEU 62 -1.474 7.906 2.812 524 HA LEU 62 HA LEU 62 -2.065 8.713 0.187 525 HB2 LEU 62 HB2 LEU 62 -3.667 7.390 2.286 526 HB3 LEU 62 HB3 LEU 62 -4.341 7.831 0.715 527 HG LEU 62 HG LEU 62 -1.787 6.315 0.889 528 HD11 LEU 62 HD11 LEU 62 -2.940 4.344 0.563 529 HD12 LEU 62 HD12 LEU 62 -4.533 5.157 0.753 530 HD13 LEU 62 HD13 LEU 62 -3.343 5.130 2.110 531 HD21 LEU 62 HD21 LEU 62 -2.312 7.329 -1.244 532 HD22 LEU 62 HD22 LEU 62 -3.900 6.556 -1.220 533 HD23 LEU 62 HD23 LEU 62 -2.446 5.571 -1.338 534 H GLU 63 H GLU 63 -2.701 10.181 3.282 535 HA GLU 63 HA GLU 63 -4.516 12.131 2.356 536 HB2 GLU 63 HB2 GLU 63 -3.766 11.605 4.754 537 HB3 GLU 63 HB3 GLU 63 -2.294 12.480 4.392 538 HG2 GLU 63 HG2 GLU 63 -5.072 13.616 4.390 539 HG3 GLU 63 HG3 GLU 63 -3.893 13.760 5.689 540 H LYS 64 H LYS 64 -1.024 12.023 2.648 541 HA LYS 64 HA LYS 64 -0.128 14.328 1.445 542 HB2 LYS 64 HB2 LYS 64 1.286 12.741 2.537 543 HB3 LYS 64 HB3 LYS 64 0.888 11.503 1.367 544 HG2 LYS 64 HG2 LYS 64 2.964 12.172 0.788 545 HG3 LYS 64 HG3 LYS 64 1.927 12.985 -0.341 546 HD2 LYS 64 HD2 LYS 64 1.977 15.051 0.902 547 HD3 LYS 64 HD3 LYS 64 2.981 14.304 2.150 548 HE2 LYS 64 HE2 LYS 64 4.754 13.955 0.498 549 HE3 LYS 64 HE3 LYS 64 3.748 14.719 -0.732 550 HZ1 LYS 64 HZ1 LYS 64 4.750 16.037 1.735 551 HZ2 LYS 64 HZ2 LYS 64 3.789 16.758 0.547 552 HZ3 LYS 64 HZ3 LYS 64 5.355 16.253 0.174 553 H ALA 65 H ALA 65 -0.238 11.210 -0.127 554 HA ALA 65 HA ALA 65 0.164 11.962 -2.757 555 HB1 ALA 65 HB1 ALA 65 -0.660 9.802 -3.413 556 HB2 ALA 65 HB2 ALA 65 -1.428 9.593 -1.843 557 HB3 ALA 65 HB3 ALA 65 0.334 9.667 -1.955 558 H LEU 66 H LEU 66 -3.000 11.761 -1.113 559 HA LEU 66 HA LEU 66 -4.331 12.223 -3.609 560 HB2 LEU 66 HB2 LEU 66 -5.376 12.174 -0.791 561 HB3 LEU 66 HB3 LEU 66 -6.412 12.364 -2.204 562 HG LEU 66 HG LEU 66 -4.732 9.956 -1.487 563 HD11 LEU 66 HD11 LEU 66 -7.704 10.361 -1.526 564 HD12 LEU 66 HD12 LEU 66 -6.689 10.172 -0.098 565 HD13 LEU 66 HD13 LEU 66 -6.884 8.828 -1.226 566 HD21 LEU 66 HD21 LEU 66 -6.567 10.384 -3.849 567 HD22 LEU 66 HD22 LEU 66 -5.812 8.858 -3.401 568 HD23 LEU 66 HD23 LEU 66 -4.811 10.213 -3.911 569 H ASN 67 H ASN 67 -3.401 14.156 -0.837 570 HA ASN 67 HA ASN 67 -4.753 16.534 -1.655 571 HB2 ASN 67 HB2 ASN 67 -4.096 16.096 0.691 572 HB3 ASN 67 HB3 ASN 67 -2.408 16.138 0.215 573 HD21 ASN 67 HD21 ASN 67 -5.244 17.990 0.864 574 HD22 ASN 67 HD22 ASN 67 -4.491 19.539 0.881 575 H LYS 68 H LYS 68 -1.857 14.979 -2.507 576 HA LYS 68 HA LYS 68 -0.071 16.845 -3.345 577 HB2 LYS 68 HB2 LYS 68 0.300 14.448 -3.457 578 HB3 LYS 68 HB3 LYS 68 -0.783 14.287 -4.808 579 HG2 LYS 68 HG2 LYS 68 0.675 15.767 -6.115 580 HG3 LYS 68 HG3 LYS 68 1.781 15.825 -4.750 581 HD2 LYS 68 HD2 LYS 68 2.689 14.165 -6.134 582 HD3 LYS 68 HD3 LYS 68 1.763 13.356 -4.855 583 HE2 LYS 68 HE2 LYS 68 0.601 13.843 -7.600 584 HE3 LYS 68 HE3 LYS 68 1.514 12.395 -7.215 585 HZ1 LYS 68 HZ1 LYS 68 -1.099 13.215 -5.993 586 HZ2 LYS 68 HZ2 LYS 68 -0.154 11.901 -5.493 587 HZ3 LYS 68 HZ3 LYS 68 -0.781 11.963 -7.032 Start of MODEL 18 1 H LYS 1 H LYS 1 -5.309 -30.289 -13.615 2 HA LYS 1 HA LYS 1 -6.620 -30.884 -16.172 3 HB2 LYS 1 HB2 LYS 1 -6.605 -32.839 -14.687 4 HB3 LYS 1 HB3 LYS 1 -7.196 -31.865 -13.350 5 HG2 LYS 1 HG2 LYS 1 -9.320 -31.534 -14.498 6 HG3 LYS 1 HG3 LYS 1 -8.723 -32.430 -15.890 7 HD2 LYS 1 HD2 LYS 1 -9.060 -33.575 -13.114 8 HD3 LYS 1 HD3 LYS 1 -10.213 -33.780 -14.435 9 HE2 LYS 1 HE2 LYS 1 -8.422 -34.878 -15.761 10 HE3 LYS 1 HE3 LYS 1 -7.351 -34.714 -14.375 11 HZ1 LYS 1 HZ1 LYS 1 -8.352 -36.923 -14.530 12 HZ2 LYS 1 HZ2 LYS 1 -9.887 -36.248 -14.385 13 HZ3 LYS 1 HZ3 LYS 1 -8.801 -36.151 -13.102 14 HA PRO 2 HA PRO 2 -8.677 -26.985 -15.846 15 HB2 PRO 2 HB2 PRO 2 -11.090 -28.644 -16.422 16 HB3 PRO 2 HB3 PRO 2 -10.571 -27.124 -17.154 17 HG2 PRO 2 HG2 PRO 2 -10.200 -29.455 -18.400 18 HG3 PRO 2 HG3 PRO 2 -9.012 -28.151 -18.508 19 HD2 PRO 2 HD2 PRO 2 -8.871 -30.715 -17.050 20 HD3 PRO 2 HD3 PRO 2 -7.559 -29.692 -17.667 21 H VAL 3 H VAL 3 -9.421 -25.894 -14.160 22 HA VAL 3 HA VAL 3 -11.287 -27.132 -12.289 23 HB VAL 3 HB VAL 3 -10.160 -26.010 -10.390 24 HG11 VAL 3 HG11 VAL 3 -9.609 -28.322 -10.804 25 HG12 VAL 3 HG12 VAL 3 -8.190 -27.460 -10.203 26 HG13 VAL 3 HG13 VAL 3 -8.332 -27.843 -11.920 27 HG21 VAL 3 HG21 VAL 3 -9.081 -24.182 -11.606 28 HG22 VAL 3 HG22 VAL 3 -7.990 -25.335 -12.373 29 HG23 VAL 3 HG23 VAL 3 -7.906 -25.079 -10.633 30 H SER 4 H SER 4 -11.964 -25.166 -10.724 31 HA SER 4 HA SER 4 -13.213 -23.246 -12.438 32 HB2 SER 4 HB2 SER 4 -13.196 -23.488 -9.425 33 HB3 SER 4 HB3 SER 4 -14.307 -22.505 -10.381 34 HG SER 4 HG SER 4 -14.597 -24.747 -11.447 35 H LEU 5 H LEU 5 -11.847 -21.693 -13.202 36 HA LEU 5 HA LEU 5 -10.057 -20.400 -11.281 37 HB2 LEU 5 HB2 LEU 5 -9.078 -21.297 -13.441 38 HB3 LEU 5 HB3 LEU 5 -10.063 -20.142 -14.305 39 HG LEU 5 HG LEU 5 -7.858 -19.389 -12.370 40 HD11 LEU 5 HD11 LEU 5 -6.550 -18.857 -14.362 41 HD12 LEU 5 HD12 LEU 5 -7.832 -19.527 -15.369 42 HD13 LEU 5 HD13 LEU 5 -6.945 -20.574 -14.256 43 HD21 LEU 5 HD21 LEU 5 -7.978 -17.172 -13.427 44 HD22 LEU 5 HD22 LEU 5 -9.524 -17.598 -12.693 45 HD23 LEU 5 HD23 LEU 5 -9.310 -17.721 -14.438 46 H SER 6 H SER 6 -10.970 -18.745 -10.318 47 HA SER 6 HA SER 6 -12.752 -17.046 -11.891 48 HB2 SER 6 HB2 SER 6 -13.872 -18.298 -10.018 49 HB3 SER 6 HB3 SER 6 -12.784 -17.496 -8.886 50 HG SER 6 HG SER 6 -14.696 -16.317 -10.593 51 H TYR 7 H TYR 7 -12.540 -14.749 -11.492 52 HA TYR 7 HA TYR 7 -9.911 -13.882 -11.465 53 HB2 TYR 7 HB2 TYR 7 -11.823 -12.709 -12.533 54 HB3 TYR 7 HB3 TYR 7 -12.424 -12.282 -10.939 55 HD1 TYR 7 HD1 TYR 7 -9.695 -11.797 -13.317 56 HD2 TYR 7 HD2 TYR 7 -11.528 -10.418 -9.769 57 HE1 TYR 7 HE1 TYR 7 -8.295 -9.768 -13.408 58 HE2 TYR 7 HE2 TYR 7 -10.147 -8.367 -9.830 59 HH TYR 7 HH TYR 7 -7.922 -7.687 -10.831 60 H ARG 8 H ARG 8 -8.561 -13.595 -9.861 61 HA ARG 8 HA ARG 8 -9.636 -13.437 -7.151 62 HB2 ARG 8 HB2 ARG 8 -7.475 -14.286 -6.366 63 HB3 ARG 8 HB3 ARG 8 -8.191 -15.378 -7.536 64 HG2 ARG 8 HG2 ARG 8 -6.700 -14.481 -9.261 65 HG3 ARG 8 HG3 ARG 8 -5.967 -13.422 -8.052 66 HD2 ARG 8 HD2 ARG 8 -5.311 -15.427 -6.763 67 HD3 ARG 8 HD3 ARG 8 -5.993 -16.436 -8.035 68 HE ARG 8 HE ARG 8 -4.101 -14.576 -9.030 69 HH11 ARG 8 HH11 ARG 8 -4.389 -17.721 -7.457 70 HH12 ARG 8 HH12 ARG 8 -2.910 -18.334 -7.984 71 HH21 ARG 8 HH21 ARG 8 -2.046 -15.367 -9.785 72 HH22 ARG 8 HH22 ARG 8 -1.502 -16.925 -9.381 73 H CYS 9 H CYS 9 -7.821 -12.338 -5.682 74 HA CYS 9 HA CYS 9 -7.505 -9.643 -6.816 75 HB2 CYS 9 HB2 CYS 9 -7.589 -10.471 -3.910 76 HB3 CYS 9 HB3 CYS 9 -7.751 -8.849 -4.573 77 HA PRO 10 HA PRO 10 -3.085 -10.192 -6.759 78 HB2 PRO 10 HB2 PRO 10 -2.855 -7.417 -5.560 79 HB3 PRO 10 HB3 PRO 10 -2.154 -8.131 -6.991 80 HG2 PRO 10 HG2 PRO 10 -4.228 -6.463 -7.151 81 HG3 PRO 10 HG3 PRO 10 -3.968 -7.791 -8.292 82 HD2 PRO 10 HD2 PRO 10 -5.933 -7.567 -6.062 83 HD3 PRO 10 HD3 PRO 10 -6.078 -8.385 -7.628 84 H CYS 11 H CYS 11 -4.345 -8.712 -3.785 85 HA CYS 11 HA CYS 11 -2.669 -10.576 -2.279 86 HB2 CYS 11 HB2 CYS 11 -3.049 -7.646 -1.678 87 HB3 CYS 11 HB3 CYS 11 -2.335 -8.799 -0.563 88 H ARG 12 H ARG 12 -3.894 -11.768 -0.982 89 HA ARG 12 HA ARG 12 -6.512 -10.749 -0.224 90 HB2 ARG 12 HB2 ARG 12 -5.293 -13.500 0.106 91 HB3 ARG 12 HB3 ARG 12 -6.894 -13.047 0.668 92 HG2 ARG 12 HG2 ARG 12 -7.571 -12.556 -1.618 93 HG3 ARG 12 HG3 ARG 12 -5.961 -12.998 -2.185 94 HD2 ARG 12 HD2 ARG 12 -6.260 -15.256 -1.414 95 HD3 ARG 12 HD3 ARG 12 -7.822 -14.849 -0.706 96 HE ARG 12 HE ARG 12 -8.211 -14.161 -3.217 97 HH11 ARG 12 HH11 ARG 12 -6.764 -17.147 -1.948 98 HH12 ARG 12 HH12 ARG 12 -7.403 -18.118 -3.201 99 HH21 ARG 12 HH21 ARG 12 -9.062 -15.544 -4.920 100 HH22 ARG 12 HH22 ARG 12 -8.718 -17.216 -4.887 101 H PHE 13 H PHE 13 -3.397 -11.508 1.064 102 HA PHE 13 HA PHE 13 -4.331 -10.667 3.711 103 HB2 PHE 13 HB2 PHE 13 -2.406 -11.840 4.669 104 HB3 PHE 13 HB3 PHE 13 -3.327 -12.957 3.679 105 HD1 PHE 13 HD1 PHE 13 -2.405 -13.733 1.524 106 HD2 PHE 13 HD2 PHE 13 -0.149 -11.235 4.123 107 HE1 PHE 13 HE1 PHE 13 -0.348 -14.318 0.303 108 HE2 PHE 13 HE2 PHE 13 1.908 -11.816 2.910 109 HZ PHE 13 HZ PHE 13 1.809 -13.358 0.996 110 H PHE 14 H PHE 14 -3.113 -9.081 4.770 111 HA PHE 14 HA PHE 14 -0.998 -7.703 3.237 112 HB2 PHE 14 HB2 PHE 14 -3.232 -6.423 4.758 113 HB3 PHE 14 HB3 PHE 14 -1.974 -5.570 3.880 114 HD1 PHE 14 HD1 PHE 14 -2.019 -5.784 1.328 115 HD2 PHE 14 HD2 PHE 14 -5.273 -6.957 3.796 116 HE1 PHE 14 HE1 PHE 14 -3.526 -5.679 -0.604 117 HE2 PHE 14 HE2 PHE 14 -6.782 -6.853 1.880 118 HZ PHE 14 HZ PHE 14 -5.914 -6.213 -0.338 119 H GLU 15 H GLU 15 0.579 -6.782 4.563 120 HA GLU 15 HA GLU 15 0.690 -7.806 7.207 121 HB2 GLU 15 HB2 GLU 15 2.632 -7.839 5.735 122 HB3 GLU 15 HB3 GLU 15 2.506 -6.109 5.494 123 HG2 GLU 15 HG2 GLU 15 4.271 -6.734 6.934 124 HG3 GLU 15 HG3 GLU 15 3.120 -5.700 7.777 125 H SER 16 H SER 16 0.322 -6.612 8.978 126 HA SER 16 HA SER 16 -0.605 -3.858 8.549 127 HB2 SER 16 HB2 SER 16 -2.369 -5.506 9.175 128 HB3 SER 16 HB3 SER 16 -1.486 -5.857 10.656 129 HG SER 16 HG SER 16 -1.726 -3.540 11.084 130 H HIS 17 H HIS 17 2.047 -5.295 9.425 131 HA HIS 17 HA HIS 17 2.569 -3.563 11.768 132 HB2 HIS 17 HB2 HIS 17 3.710 -6.279 11.088 133 HB3 HIS 17 HB3 HIS 17 4.337 -5.249 12.366 134 HD1 HIS 17 HD1 HIS 17 3.163 -5.344 14.564 135 HD2 HIS 17 HD2 HIS 17 1.074 -7.292 11.568 136 HE1 HIS 17 HE1 HIS 17 1.281 -6.542 15.730 137 HE2 HIS 17 HE2 HIS 17 0.377 -8.024 13.935 138 H VAL 18 H VAL 18 2.860 -2.973 8.895 139 HA VAL 18 HA VAL 18 5.633 -3.211 8.252 140 HB VAL 18 HB VAL 18 3.635 -1.411 6.913 141 HG11 VAL 18 HG11 VAL 18 5.073 -1.730 4.917 142 HG12 VAL 18 HG12 VAL 18 6.176 -2.696 5.891 143 HG13 VAL 18 HG13 VAL 18 5.942 -0.991 6.263 144 HG21 VAL 18 HG21 VAL 18 2.715 -3.649 6.991 145 HG22 VAL 18 HG22 VAL 18 4.208 -4.304 6.308 146 HG23 VAL 18 HG23 VAL 18 3.198 -3.227 5.349 147 H ALA 19 H ALA 19 7.200 -1.645 8.286 148 HA ALA 19 HA ALA 19 6.579 0.842 9.684 149 HB1 ALA 19 HB1 ALA 19 8.994 0.943 10.150 150 HB2 ALA 19 HB2 ALA 19 9.222 -0.555 9.240 151 HB3 ALA 19 HB3 ALA 19 8.285 -0.564 10.732 152 H ARG 20 H ARG 20 6.773 2.732 8.644 153 HA ARG 20 HA ARG 20 7.046 2.896 5.832 154 HB2 ARG 20 HB2 ARG 20 5.712 4.520 7.010 155 HB3 ARG 20 HB3 ARG 20 7.076 5.015 7.983 156 HG2 ARG 20 HG2 ARG 20 6.494 6.697 6.316 157 HG3 ARG 20 HG3 ARG 20 8.112 6.064 6.047 158 HD2 ARG 20 HD2 ARG 20 7.267 4.701 4.169 159 HD3 ARG 20 HD3 ARG 20 5.630 5.235 4.481 160 HE ARG 20 HE ARG 20 6.768 7.560 4.175 161 HH11 ARG 20 HH11 ARG 20 7.311 4.654 2.184 162 HH12 ARG 20 HH12 ARG 20 7.618 5.523 0.766 163 HH21 ARG 20 HH21 ARG 20 7.160 8.732 2.212 164 HH22 ARG 20 HH22 ARG 20 7.511 7.905 0.775 165 H ALA 21 H ALA 21 9.348 3.123 8.386 166 HA ALA 21 HA ALA 21 11.391 4.291 6.727 167 HB1 ALA 21 HB1 ALA 21 11.317 4.736 9.144 168 HB2 ALA 21 HB2 ALA 21 12.849 4.012 8.649 169 HB3 ALA 21 HB3 ALA 21 11.624 3.027 9.447 170 H ASN 22 H ASN 22 10.070 1.229 6.943 171 HA ASN 22 HA ASN 22 12.624 -0.053 6.268 172 HB2 ASN 22 HB2 ASN 22 11.431 -0.937 8.283 173 HB3 ASN 22 HB3 ASN 22 10.075 -1.362 7.253 174 HD21 ASN 22 HD21 ASN 22 10.237 -3.516 7.794 175 HD22 ASN 22 HD22 ASN 22 11.499 -4.552 7.251 176 H VAL 23 H VAL 23 10.019 1.271 4.747 177 HA VAL 23 HA VAL 23 9.885 -0.842 2.760 178 HB VAL 23 HB VAL 23 7.705 0.029 3.469 179 HG11 VAL 23 HG11 VAL 23 6.984 2.306 2.964 180 HG12 VAL 23 HG12 VAL 23 8.621 2.697 2.428 181 HG13 VAL 23 HG13 VAL 23 8.319 2.280 4.114 182 HG21 VAL 23 HG21 VAL 23 6.743 0.515 1.278 183 HG22 VAL 23 HG22 VAL 23 7.973 -0.755 1.181 184 HG23 VAL 23 HG23 VAL 23 8.355 0.877 0.653 185 H LYS 24 H LYS 24 10.810 -0.744 0.854 186 HA LYS 24 HA LYS 24 12.508 1.583 0.149 187 HB2 LYS 24 HB2 LYS 24 13.412 0.191 -1.590 188 HB3 LYS 24 HB3 LYS 24 13.518 -0.635 -0.045 189 HG2 LYS 24 HG2 LYS 24 11.825 -2.148 -0.589 190 HG3 LYS 24 HG3 LYS 24 11.243 -1.155 -1.918 191 HD2 LYS 24 HD2 LYS 24 13.880 -2.654 -1.863 192 HD3 LYS 24 HD3 LYS 24 12.393 -3.119 -2.715 193 HE2 LYS 24 HE2 LYS 24 12.469 -0.984 -3.924 194 HE3 LYS 24 HE3 LYS 24 13.971 -0.614 -3.219 195 HZ1 LYS 24 HZ1 LYS 24 14.297 -1.629 -5.415 196 HZ2 LYS 24 HZ2 LYS 24 13.587 -3.052 -4.882 197 HZ3 LYS 24 HZ3 LYS 24 15.039 -2.539 -4.210 198 H HIS 25 H HIS 25 9.675 -0.011 -0.870 199 HA HIS 25 HA HIS 25 9.169 1.937 -2.923 200 HB2 HIS 25 HB2 HIS 25 10.685 0.568 -4.131 201 HB3 HIS 25 HB3 HIS 25 9.967 -0.892 -3.494 202 HD1 HIS 25 HD1 HIS 25 8.347 1.981 -5.496 203 HD2 HIS 25 HD2 HIS 25 9.030 -2.083 -5.482 204 HE1 HIS 25 HE1 HIS 25 7.081 1.138 -7.474 205 HE2 HIS 25 HE2 HIS 25 7.694 -1.318 -7.603 206 H LEU 26 H LEU 26 7.179 2.408 -2.471 207 HA LEU 26 HA LEU 26 5.297 0.360 -1.560 208 HB2 LEU 26 HB2 LEU 26 5.924 2.582 -0.351 209 HB3 LEU 26 HB3 LEU 26 5.047 3.376 -1.626 210 HG LEU 26 HG LEU 26 3.765 3.274 0.425 211 HD11 LEU 26 HD11 LEU 26 1.742 2.298 -0.337 212 HD12 LEU 26 HD12 LEU 26 2.603 1.527 -1.693 213 HD13 LEU 26 HD13 LEU 26 2.522 3.302 -1.554 214 HD21 LEU 26 HD21 LEU 26 3.922 0.303 0.144 215 HD22 LEU 26 HD22 LEU 26 2.969 1.188 1.343 216 HD23 LEU 26 HD23 LEU 26 4.731 1.276 1.368 217 H LYS 27 H LYS 27 3.692 -0.267 -3.054 218 HA LYS 27 HA LYS 27 3.167 1.397 -5.435 219 HB2 LYS 27 HB2 LYS 27 4.954 -0.450 -5.629 220 HB3 LYS 27 HB3 LYS 27 3.640 -1.592 -5.565 221 HG2 LYS 27 HG2 LYS 27 4.283 0.436 -7.733 222 HG3 LYS 27 HG3 LYS 27 4.456 -1.303 -7.840 223 HD2 LYS 27 HD2 LYS 27 2.530 -0.850 -9.074 224 HD3 LYS 27 HD3 LYS 27 1.883 -1.318 -7.505 225 HE2 LYS 27 HE2 LYS 27 0.705 0.666 -8.135 226 HE3 LYS 27 HE3 LYS 27 1.933 0.992 -6.882 227 HZ1 LYS 27 HZ1 LYS 27 2.401 1.578 -9.765 228 HZ2 LYS 27 HZ2 LYS 27 3.366 2.042 -8.458 229 HZ3 LYS 27 HZ3 LYS 27 1.866 2.706 -8.651 230 H ILE 28 H ILE 28 0.918 1.625 -5.170 231 HA ILE 28 HA ILE 28 -0.527 -0.626 -3.952 232 HB ILE 28 HB ILE 28 -1.602 2.159 -4.441 233 HG12 ILE 28 HG12 ILE 28 -0.386 0.962 -1.963 234 HG13 ILE 28 HG13 ILE 28 0.312 2.257 -2.923 235 HG21 ILE 28 HG21 ILE 28 -3.307 0.378 -4.153 236 HG22 ILE 28 HG22 ILE 28 -3.309 1.480 -2.767 237 HG23 ILE 28 HG23 ILE 28 -2.528 -0.093 -2.639 238 HD11 ILE 28 HD11 ILE 28 -0.684 3.120 -0.887 239 HD12 ILE 28 HD12 ILE 28 -2.231 2.394 -1.308 240 HD13 ILE 28 HD13 ILE 28 -1.580 3.711 -2.289 241 H LEU 29 H LEU 29 -2.022 -1.799 -5.021 242 HA LEU 29 HA LEU 29 -2.492 -1.237 -7.866 243 HB2 LEU 29 HB2 LEU 29 -3.166 -3.739 -6.302 244 HB3 LEU 29 HB3 LEU 29 -3.287 -3.532 -8.023 245 HG LEU 29 HG LEU 29 -0.790 -3.850 -6.372 246 HD11 LEU 29 HD11 LEU 29 -1.902 -5.395 -8.647 247 HD12 LEU 29 HD12 LEU 29 -1.877 -5.845 -6.943 248 HD13 LEU 29 HD13 LEU 29 -0.361 -5.693 -7.832 249 HD21 LEU 29 HD21 LEU 29 -0.377 -2.023 -7.970 250 HD22 LEU 29 HD22 LEU 29 -0.969 -3.039 -9.278 251 HD23 LEU 29 HD23 LEU 29 0.514 -3.478 -8.425 252 H ASN 30 H ASN 30 -4.525 -0.826 -8.566 253 HA ASN 30 HA ASN 30 -6.622 -0.836 -6.526 254 HB2 ASN 30 HB2 ASN 30 -7.816 0.878 -7.918 255 HB3 ASN 30 HB3 ASN 30 -6.266 1.428 -7.323 256 HD21 ASN 30 HD21 ASN 30 -4.603 1.817 -8.779 257 HD22 ASN 30 HD22 ASN 30 -4.850 1.909 -10.481 258 H THR 31 H THR 31 -7.916 -2.541 -6.644 259 HA THR 31 HA THR 31 -8.417 -3.658 -9.291 260 HB THR 31 HB THR 31 -8.724 -4.945 -6.601 261 HG1 THR 31 HG1 THR 31 -6.526 -4.760 -6.898 262 HG21 THR 31 HG21 THR 31 -8.815 -7.056 -7.893 263 HG22 THR 31 HG22 THR 31 -8.725 -6.127 -9.387 264 HG23 THR 31 HG23 THR 31 -10.130 -5.964 -8.333 265 HA PRO 32 HA PRO 32 -12.512 -1.896 -9.499 266 HB2 PRO 32 HB2 PRO 32 -12.943 -4.653 -10.549 267 HB3 PRO 32 HB3 PRO 32 -13.572 -3.126 -11.168 268 HG2 PRO 32 HG2 PRO 32 -11.447 -4.224 -12.289 269 HG3 PRO 32 HG3 PRO 32 -11.495 -2.477 -12.011 270 HD2 PRO 32 HD2 PRO 32 -9.902 -4.556 -10.600 271 HD3 PRO 32 HD3 PRO 32 -9.577 -2.823 -10.832 272 H ASN 33 H ASN 33 -12.163 -5.085 -7.951 273 HA ASN 33 HA ASN 33 -14.560 -4.521 -6.402 274 HB2 ASN 33 HB2 ASN 33 -15.369 -6.900 -6.754 275 HB3 ASN 33 HB3 ASN 33 -15.532 -5.820 -8.128 276 HD21 ASN 33 HD21 ASN 33 -15.637 -7.555 -9.529 277 HD22 ASN 33 HD22 ASN 33 -14.250 -8.478 -9.974 278 H CYS 34 H CYS 34 -11.484 -5.184 -6.327 279 HA CYS 34 HA CYS 34 -11.714 -6.834 -3.909 280 HB2 CYS 34 HB2 CYS 34 -9.399 -6.515 -5.806 281 HB3 CYS 34 HB3 CYS 34 -9.296 -7.369 -4.283 282 H ALA 35 H ALA 35 -11.525 -3.777 -4.909 283 HA ALA 35 HA ALA 35 -10.938 -1.826 -4.030 284 HB1 ALA 35 HB1 ALA 35 -10.097 -3.450 -1.639 285 HB2 ALA 35 HB2 ALA 35 -11.718 -2.859 -1.976 286 HB3 ALA 35 HB3 ALA 35 -10.415 -1.697 -1.648 287 H LEU 36 H LEU 36 -8.625 -1.181 -2.408 288 HA LEU 36 HA LEU 36 -6.704 -1.860 -4.426 289 HB2 LEU 36 HB2 LEU 36 -5.346 0.073 -3.600 290 HB3 LEU 36 HB3 LEU 36 -6.857 0.443 -4.381 291 HG LEU 36 HG LEU 36 -7.824 0.834 -2.105 292 HD11 LEU 36 HD11 LEU 36 -4.940 0.726 -1.235 293 HD12 LEU 36 HD12 LEU 36 -6.212 -0.393 -0.746 294 HD13 LEU 36 HD13 LEU 36 -6.299 1.300 -0.262 295 HD21 LEU 36 HD21 LEU 36 -5.515 2.504 -2.997 296 HD22 LEU 36 HD22 LEU 36 -6.812 3.050 -1.917 297 HD23 LEU 36 HD23 LEU 36 -7.170 2.571 -3.592 298 H GLN 37 H GLN 37 -4.814 -2.706 -4.162 299 HA GLN 37 HA GLN 37 -4.239 -3.941 -1.545 300 HB2 GLN 37 HB2 GLN 37 -3.335 -4.869 -4.292 301 HB3 GLN 37 HB3 GLN 37 -2.969 -5.665 -2.777 302 HG2 GLN 37 HG2 GLN 37 -4.654 -6.914 -3.847 303 HG3 GLN 37 HG3 GLN 37 -5.423 -6.053 -2.515 304 HE21 GLN 37 HE21 GLN 37 -7.378 -6.117 -3.407 305 HE22 GLN 37 HE22 GLN 37 -7.840 -5.148 -4.765 306 H ILE 38 H ILE 38 -2.350 -3.346 -0.646 307 HA ILE 38 HA ILE 38 -0.707 -1.562 -2.253 308 HB ILE 38 HB ILE 38 -0.725 -2.152 0.676 309 HG12 ILE 38 HG12 ILE 38 -1.810 0.271 -0.768 310 HG13 ILE 38 HG13 ILE 38 -2.770 -1.046 -0.103 311 HG21 ILE 38 HG21 ILE 38 1.473 -1.380 0.010 312 HG22 ILE 38 HG22 ILE 38 0.681 -0.057 0.849 313 HG23 ILE 38 HG23 ILE 38 0.809 -0.051 -0.916 314 HD11 ILE 38 HD11 ILE 38 -2.030 -0.471 2.120 315 HD12 ILE 38 HD12 ILE 38 -2.754 0.930 1.288 316 HD13 ILE 38 HD13 ILE 38 -1.000 0.798 1.440 317 H VAL 39 H VAL 39 1.233 -2.247 -2.938 318 HA VAL 39 HA VAL 39 2.330 -4.746 -1.825 319 HB VAL 39 HB VAL 39 2.641 -3.572 -4.601 320 HG11 VAL 39 HG11 VAL 39 4.647 -4.693 -3.968 321 HG12 VAL 39 HG12 VAL 39 3.798 -5.651 -5.173 322 HG13 VAL 39 HG13 VAL 39 3.743 -6.140 -3.473 323 HG21 VAL 39 HG21 VAL 39 1.375 -5.527 -5.389 324 HG22 VAL 39 HG22 VAL 39 0.431 -4.530 -4.283 325 HG23 VAL 39 HG23 VAL 39 1.144 -6.041 -3.717 326 H ALA 40 H ALA 40 4.258 -4.530 -0.864 327 HA ALA 40 HA ALA 40 5.960 -2.315 -1.676 328 HB1 ALA 40 HB1 ALA 40 6.261 -1.530 0.547 329 HB2 ALA 40 HB2 ALA 40 5.203 -2.803 1.167 330 HB3 ALA 40 HB3 ALA 40 4.541 -1.541 0.140 331 H ARG 41 H ARG 41 8.091 -2.694 -1.455 332 HA ARG 41 HA ARG 41 8.796 -5.191 -0.199 333 HB2 ARG 41 HB2 ARG 41 9.751 -3.859 -2.578 334 HB3 ARG 41 HB3 ARG 41 11.060 -4.441 -1.559 335 HG2 ARG 41 HG2 ARG 41 10.198 -6.608 -1.548 336 HG3 ARG 41 HG3 ARG 41 8.720 -6.182 -2.349 337 HD2 ARG 41 HD2 ARG 41 11.504 -6.131 -3.398 338 HD3 ARG 41 HD3 ARG 41 10.161 -7.275 -3.750 339 HE ARG 41 HE ARG 41 9.278 -4.741 -4.430 340 HH11 ARG 41 HH11 ARG 41 11.755 -6.979 -5.600 341 HH12 ARG 41 HH12 ARG 41 11.569 -6.528 -7.241 342 HH21 ARG 41 HH21 ARG 41 9.058 -4.130 -6.743 343 HH22 ARG 41 HH22 ARG 41 10.056 -4.910 -7.872 344 H LEU 42 H LEU 42 10.320 -5.394 1.201 345 HA LEU 42 HA LEU 42 10.706 -3.080 2.906 346 HB2 LEU 42 HB2 LEU 42 11.602 -5.906 3.312 347 HB3 LEU 42 HB3 LEU 42 11.531 -4.662 4.516 348 HG LEU 42 HG LEU 42 9.103 -5.817 3.148 349 HD11 LEU 42 HD11 LEU 42 10.174 -6.271 5.923 350 HD12 LEU 42 HD12 LEU 42 10.076 -7.466 4.625 351 HD13 LEU 42 HD13 LEU 42 8.609 -6.814 5.335 352 HD21 LEU 42 HD21 LEU 42 9.336 -3.855 5.430 353 HD22 LEU 42 HD22 LEU 42 7.833 -4.553 4.825 354 HD23 LEU 42 HD23 LEU 42 8.788 -3.486 3.795 355 H LYS 43 H LYS 43 12.657 -2.401 3.621 356 HA LYS 43 HA LYS 43 14.792 -2.460 1.676 357 HB2 LYS 43 HB2 LYS 43 14.665 -1.087 4.359 358 HB3 LYS 43 HB3 LYS 43 15.896 -0.850 3.127 359 HG2 LYS 43 HG2 LYS 43 14.222 0.039 1.616 360 HG3 LYS 43 HG3 LYS 43 12.971 -0.193 2.843 361 HD2 LYS 43 HD2 LYS 43 13.712 2.125 2.792 362 HD3 LYS 43 HD3 LYS 43 14.192 1.369 4.313 363 HE2 LYS 43 HE2 LYS 43 16.432 1.051 3.506 364 HE3 LYS 43 HE3 LYS 43 15.972 1.641 1.908 365 HZ1 LYS 43 HZ1 LYS 43 15.573 3.804 2.893 366 HZ2 LYS 43 HZ2 LYS 43 17.146 3.299 3.201 367 HZ3 LYS 43 HZ3 LYS 43 15.983 3.232 4.422 368 H ASN 44 H ASN 44 14.361 -3.415 5.048 369 HA ASN 44 HA ASN 44 17.052 -4.412 5.258 370 HB2 ASN 44 HB2 ASN 44 15.900 -3.466 7.185 371 HB3 ASN 44 HB3 ASN 44 14.680 -4.723 7.097 372 HD21 ASN 44 HD21 ASN 44 15.098 -5.494 9.134 373 HD22 ASN 44 HD22 ASN 44 16.550 -6.344 9.546 374 H ASN 45 H ASN 45 13.886 -5.794 4.747 375 HA ASN 45 HA ASN 45 14.992 -8.498 4.995 376 HB2 ASN 45 HB2 ASN 45 12.735 -7.740 5.983 377 HB3 ASN 45 HB3 ASN 45 12.138 -7.847 4.330 378 HD21 ASN 45 HD21 ASN 45 11.121 -9.370 6.459 379 HD22 ASN 45 HD22 ASN 45 11.498 -11.020 6.165 380 H ASN 46 H ASN 46 13.787 -6.287 2.516 381 HA ASN 46 HA ASN 46 13.719 -6.318 0.220 382 HB2 ASN 46 HB2 ASN 46 16.095 -7.321 0.538 383 HB3 ASN 46 HB3 ASN 46 15.343 -8.891 0.335 384 HD21 ASN 46 HD21 ASN 46 14.743 -9.559 -1.773 385 HD22 ASN 46 HD22 ASN 46 15.209 -8.640 -3.157 386 H ARG 47 H ARG 47 12.032 -8.145 2.103 387 HA ARG 47 HA ARG 47 10.809 -9.925 0.181 388 HB2 ARG 47 HB2 ARG 47 10.225 -9.176 3.003 389 HB3 ARG 47 HB3 ARG 47 9.090 -10.149 2.144 390 HG2 ARG 47 HG2 ARG 47 10.965 -11.795 1.809 391 HG3 ARG 47 HG3 ARG 47 11.899 -10.802 2.939 392 HD2 ARG 47 HD2 ARG 47 10.830 -12.513 4.245 393 HD3 ARG 47 HD3 ARG 47 10.043 -10.987 4.544 394 HE ARG 47 HE ARG 47 8.769 -12.426 2.462 395 HH11 ARG 47 HH11 ARG 47 8.900 -12.066 6.003 396 HH12 ARG 47 HH12 ARG 47 7.354 -12.711 6.250 397 HH21 ARG 47 HH21 ARG 47 6.616 -13.305 2.850 398 HH22 ARG 47 HH22 ARG 47 6.024 -13.453 4.428 399 H GLN 48 H GLN 48 8.852 -9.809 -0.632 400 HA GLN 48 HA GLN 48 7.809 -7.114 -0.895 401 HB2 GLN 48 HB2 GLN 48 8.470 -8.574 -2.865 402 HB3 GLN 48 HB3 GLN 48 7.148 -9.633 -2.399 403 HG2 GLN 48 HG2 GLN 48 5.626 -7.696 -2.653 404 HG3 GLN 48 HG3 GLN 48 6.996 -6.799 -3.261 405 HE21 GLN 48 HE21 GLN 48 4.808 -9.412 -3.950 406 HE22 GLN 48 HE22 GLN 48 5.213 -9.535 -5.620 407 H VAL 49 H VAL 49 6.104 -6.677 0.356 408 HA VAL 49 HA VAL 49 4.344 -8.886 1.106 409 HB VAL 49 HB VAL 49 3.970 -7.816 3.300 410 HG11 VAL 49 HG11 VAL 49 6.119 -8.389 4.354 411 HG12 VAL 49 HG12 VAL 49 6.871 -8.429 2.759 412 HG13 VAL 49 HG13 VAL 49 5.615 -9.596 3.171 413 HG21 VAL 49 HG21 VAL 49 4.515 -5.501 2.725 414 HG22 VAL 49 HG22 VAL 49 6.206 -5.938 2.499 415 HG23 VAL 49 HG23 VAL 49 5.478 -6.034 4.104 416 H CYS 50 H CYS 50 2.188 -8.140 1.686 417 HA CYS 50 HA CYS 50 1.430 -5.883 0.019 418 HB2 CYS 50 HB2 CYS 50 -0.442 -7.865 1.365 419 HB3 CYS 50 HB3 CYS 50 -0.754 -6.764 0.061 420 H ILE 51 H ILE 51 0.142 -4.238 0.952 421 HA ILE 51 HA ILE 51 0.364 -4.146 3.872 422 HB ILE 51 HB ILE 51 0.717 -1.809 1.981 423 HG12 ILE 51 HG12 ILE 51 2.612 -3.474 3.566 424 HG13 ILE 51 HG13 ILE 51 2.599 -3.205 1.849 425 HG21 ILE 51 HG21 ILE 51 -0.321 -1.157 4.091 426 HG22 ILE 51 HG22 ILE 51 1.338 -0.560 3.980 427 HG23 ILE 51 HG23 ILE 51 0.974 -1.979 4.963 428 HD11 ILE 51 HD11 ILE 51 3.203 -0.875 2.114 429 HD12 ILE 51 HD12 ILE 51 4.402 -1.912 2.885 430 HD13 ILE 51 HD13 ILE 51 3.206 -1.058 3.867 431 H ASP 52 H ASP 52 -1.259 -3.293 5.004 432 HA ASP 52 HA ASP 52 -3.828 -3.330 3.698 433 HB2 ASP 52 HB2 ASP 52 -3.200 -4.409 5.855 434 HB3 ASP 52 HB3 ASP 52 -3.188 -2.798 6.563 435 HA PRO 53 HA PRO 53 -3.935 1.126 3.329 436 HB2 PRO 53 HB2 PRO 53 -6.689 1.345 3.201 437 HB3 PRO 53 HB3 PRO 53 -5.631 1.019 1.828 438 HG2 PRO 53 HG2 PRO 53 -7.247 -0.880 3.473 439 HG3 PRO 53 HG3 PRO 53 -6.937 -0.895 1.730 440 HD2 PRO 53 HD2 PRO 53 -5.683 -2.540 3.421 441 HD3 PRO 53 HD3 PRO 53 -4.872 -1.886 1.984 442 H LYS 54 H LYS 54 -5.409 -0.628 5.980 443 HA LYS 54 HA LYS 54 -6.584 1.640 7.311 444 HB2 LYS 54 HB2 LYS 54 -6.962 0.258 9.151 445 HB3 LYS 54 HB3 LYS 54 -7.236 -0.710 7.713 446 HG2 LYS 54 HG2 LYS 54 -5.087 -1.781 7.988 447 HG3 LYS 54 HG3 LYS 54 -4.746 -0.768 9.395 448 HD2 LYS 54 HD2 LYS 54 -5.551 -2.804 10.286 449 HD3 LYS 54 HD3 LYS 54 -6.820 -1.551 10.310 450 HE2 LYS 54 HE2 LYS 54 -7.960 -2.479 8.450 451 HE3 LYS 54 HE3 LYS 54 -6.659 -3.624 8.136 452 HZ1 LYS 54 HZ1 LYS 54 -8.425 -3.604 10.511 453 HZ2 LYS 54 HZ2 LYS 54 -7.186 -4.721 10.229 454 HZ3 LYS 54 HZ3 LYS 54 -8.539 -4.673 9.213 455 H LEU 55 H LEU 55 -3.362 0.610 6.999 456 HA LEU 55 HA LEU 55 -2.346 1.289 9.498 457 HB2 LEU 55 HB2 LEU 55 -1.184 1.152 6.791 458 HB3 LEU 55 HB3 LEU 55 -0.157 1.608 8.097 459 HG LEU 55 HG LEU 55 -1.622 -1.037 7.792 460 HD11 LEU 55 HD11 LEU 55 1.316 -0.381 7.742 461 HD12 LEU 55 HD12 LEU 55 0.300 -0.720 6.341 462 HD13 LEU 55 HD13 LEU 55 0.580 -1.981 7.540 463 HD21 LEU 55 HD21 LEU 55 -1.477 -0.419 10.164 464 HD22 LEU 55 HD22 LEU 55 0.260 -0.126 9.961 465 HD23 LEU 55 HD23 LEU 55 -0.386 -1.748 9.771 466 H LYS 56 H LYS 56 -1.534 3.026 10.354 467 HA LYS 56 HA LYS 56 -2.786 5.473 9.739 468 HB2 LYS 56 HB2 LYS 56 -2.159 4.822 12.026 469 HB3 LYS 56 HB3 LYS 56 -0.464 4.933 11.602 470 HG2 LYS 56 HG2 LYS 56 -0.715 7.342 11.222 471 HG3 LYS 56 HG3 LYS 56 -2.426 7.213 11.642 472 HD2 LYS 56 HD2 LYS 56 -1.812 6.399 13.865 473 HD3 LYS 56 HD3 LYS 56 -0.106 6.564 13.453 474 HE2 LYS 56 HE2 LYS 56 -0.419 8.975 13.145 475 HE3 LYS 56 HE3 LYS 56 -2.124 8.806 13.556 476 HZ1 LYS 56 HZ1 LYS 56 0.155 8.191 15.347 477 HZ2 LYS 56 HZ2 LYS 56 -1.474 8.048 15.771 478 HZ3 LYS 56 HZ3 LYS 56 -0.798 9.559 15.433 479 H TRP 57 H TRP 57 0.585 4.371 9.348 480 HA TRP 57 HA TRP 57 1.372 6.869 8.246 481 HB2 TRP 57 HB2 TRP 57 3.497 5.845 7.628 482 HB3 TRP 57 HB3 TRP 57 3.077 5.368 9.255 483 HD1 TRP 57 HD1 TRP 57 2.577 2.709 9.634 484 HE1 TRP 57 HE1 TRP 57 3.201 0.681 8.257 485 HE3 TRP 57 HE3 TRP 57 3.707 5.046 5.239 486 HZ2 TRP 57 HZ2 TRP 57 4.066 0.108 5.629 487 HZ3 TRP 57 HZ3 TRP 57 4.433 3.672 3.338 488 HH2 TRP 57 HH2 TRP 57 4.607 1.259 3.532 489 H ILE 58 H ILE 58 -0.153 4.119 6.960 490 HA ILE 58 HA ILE 58 0.347 4.736 4.211 491 HB ILE 58 HB ILE 58 -1.713 2.923 5.512 492 HG12 ILE 58 HG12 ILE 58 0.635 2.139 5.600 493 HG13 ILE 58 HG13 ILE 58 -0.352 1.088 4.615 494 HG21 ILE 58 HG21 ILE 58 -2.193 2.093 3.287 495 HG22 ILE 58 HG22 ILE 58 -1.117 3.335 2.610 496 HG23 ILE 58 HG23 ILE 58 -2.601 3.819 3.433 497 HD11 ILE 58 HD11 ILE 58 1.775 1.452 3.560 498 HD12 ILE 58 HD12 ILE 58 1.525 3.195 3.579 499 HD13 ILE 58 HD13 ILE 58 0.487 2.167 2.593 500 H GLN 59 H GLN 59 -2.315 5.284 6.460 501 HA GLN 59 HA GLN 59 -4.018 6.661 4.754 502 HB2 GLN 59 HB2 GLN 59 -3.476 7.068 7.689 503 HB3 GLN 59 HB3 GLN 59 -4.761 7.907 6.832 504 HG2 GLN 59 HG2 GLN 59 -4.518 4.915 7.060 505 HG3 GLN 59 HG3 GLN 59 -5.514 5.924 8.108 506 HE21 GLN 59 HE21 GLN 59 -5.193 4.529 4.961 507 HE22 GLN 59 HE22 GLN 59 -6.760 4.950 4.387 508 H GLU 60 H GLU 60 -1.407 7.918 6.768 509 HA GLU 60 HA GLU 60 -1.527 10.605 5.913 510 HB2 GLU 60 HB2 GLU 60 0.936 9.085 6.799 511 HB3 GLU 60 HB3 GLU 60 0.707 10.821 6.833 512 HG2 GLU 60 HG2 GLU 60 -0.680 8.770 8.544 513 HG3 GLU 60 HG3 GLU 60 0.522 9.942 9.059 514 H TYR 61 H TYR 61 0.090 7.752 4.642 515 HA TYR 61 HA TYR 61 1.739 8.919 2.712 516 HB2 TYR 61 HB2 TYR 61 2.058 6.572 3.234 517 HB3 TYR 61 HB3 TYR 61 0.409 6.221 2.772 518 HD1 TYR 61 HD1 TYR 61 3.626 7.452 1.336 519 HD2 TYR 61 HD2 TYR 61 -0.081 5.491 0.670 520 HE1 TYR 61 HE1 TYR 61 4.318 6.921 -0.967 521 HE2 TYR 61 HE2 TYR 61 0.558 4.961 -1.588 522 HH TYR 61 HH TYR 61 3.808 5.405 -2.705 523 H LEU 62 H LEU 62 -1.571 7.634 2.312 524 HA LEU 62 HA LEU 62 -1.510 8.494 -0.379 525 HB2 LEU 62 HB2 LEU 62 -3.930 7.655 1.203 526 HB3 LEU 62 HB3 LEU 62 -3.977 8.071 -0.495 527 HG LEU 62 HG LEU 62 -2.076 6.141 -0.549 528 HD11 LEU 62 HD11 LEU 62 -2.625 4.329 0.807 529 HD12 LEU 62 HD12 LEU 62 -3.761 5.331 1.716 530 HD13 LEU 62 HD13 LEU 62 -2.038 5.718 1.715 531 HD21 LEU 62 HD21 LEU 62 -4.081 6.188 -1.954 532 HD22 LEU 62 HD22 LEU 62 -5.053 5.647 -0.583 533 HD23 LEU 62 HD23 LEU 62 -3.822 4.586 -1.265 534 H GLU 63 H GLU 63 -2.764 9.938 2.527 535 HA GLU 63 HA GLU 63 -3.872 12.185 1.217 536 HB2 GLU 63 HB2 GLU 63 -2.558 12.034 3.920 537 HB3 GLU 63 HB3 GLU 63 -3.435 13.448 3.383 538 HG2 GLU 63 HG2 GLU 63 -5.452 11.978 3.139 539 HG3 GLU 63 HG3 GLU 63 -4.503 10.689 3.883 540 H LYS 64 H LYS 64 -0.616 11.504 2.252 541 HA LYS 64 HA LYS 64 0.731 13.848 1.591 542 HB2 LYS 64 HB2 LYS 64 1.824 12.082 2.793 543 HB3 LYS 64 HB3 LYS 64 1.548 10.957 1.487 544 HG2 LYS 64 HG2 LYS 64 3.790 11.484 1.363 545 HG3 LYS 64 HG3 LYS 64 3.018 12.329 0.072 546 HD2 LYS 64 HD2 LYS 64 4.645 13.822 1.144 547 HD3 LYS 64 HD3 LYS 64 2.999 14.434 1.295 548 HE2 LYS 64 HE2 LYS 64 2.897 13.605 3.593 549 HE3 LYS 64 HE3 LYS 64 4.514 12.919 3.426 550 HZ1 LYS 64 HZ1 LYS 64 4.531 15.017 4.590 551 HZ2 LYS 64 HZ2 LYS 64 3.844 15.813 3.266 552 HZ3 LYS 64 HZ3 LYS 64 5.380 15.124 3.140 553 H ALA 65 H ALA 65 0.835 10.913 -0.314 554 HA ALA 65 HA ALA 65 1.817 12.011 -2.656 555 HB1 ALA 65 HB1 ALA 65 1.224 9.986 -3.766 556 HB2 ALA 65 HB2 ALA 65 0.068 9.590 -2.499 557 HB3 ALA 65 HB3 ALA 65 1.804 9.614 -2.135 558 H LEU 66 H LEU 66 -1.562 11.834 -1.673 559 HA LEU 66 HA LEU 66 -2.390 12.601 -4.284 560 HB2 LEU 66 HB2 LEU 66 -3.973 12.442 -1.728 561 HB3 LEU 66 HB3 LEU 66 -4.673 12.875 -3.278 562 HG LEU 66 HG LEU 66 -3.385 10.222 -2.608 563 HD11 LEU 66 HD11 LEU 66 -6.274 10.948 -3.029 564 HD12 LEU 66 HD12 LEU 66 -5.512 10.499 -1.501 565 HD13 LEU 66 HD13 LEU 66 -5.638 9.318 -2.803 566 HD21 LEU 66 HD21 LEU 66 -4.773 11.148 -5.126 567 HD22 LEU 66 HD22 LEU 66 -4.256 9.498 -4.794 568 HD23 LEU 66 HD23 LEU 66 -3.060 10.782 -4.960 569 H ASN 67 H ASN 67 -1.664 14.316 -1.316 570 HA ASN 67 HA ASN 67 -2.662 16.828 -2.350 571 HB2 ASN 67 HB2 ASN 67 -2.610 16.402 0.081 572 HB3 ASN 67 HB3 ASN 67 -0.862 16.235 0.005 573 HD21 ASN 67 HD21 ASN 67 0.407 18.085 -0.138 574 HD22 ASN 67 HD22 ASN 67 -0.217 19.667 0.103 575 H LYS 68 H LYS 68 0.303 15.078 -2.286 576 HA LYS 68 HA LYS 68 2.165 17.078 -2.849 577 HB2 LYS 68 HB2 LYS 68 2.676 14.792 -2.004 578 HB3 LYS 68 HB3 LYS 68 2.257 14.165 -3.580 579 HG2 LYS 68 HG2 LYS 68 4.079 15.328 -4.610 580 HG3 LYS 68 HG3 LYS 68 4.469 16.135 -3.088 581 HD2 LYS 68 HD2 LYS 68 4.923 13.986 -2.067 582 HD3 LYS 68 HD3 LYS 68 4.559 13.170 -3.595 583 HE2 LYS 68 HE2 LYS 68 6.984 13.429 -3.292 584 HE3 LYS 68 HE3 LYS 68 6.404 14.362 -4.670 585 HZ1 LYS 68 HZ1 LYS 68 7.961 15.640 -3.316 586 HZ2 LYS 68 HZ2 LYS 68 6.988 15.467 -1.970 587 HZ3 LYS 68 HZ3 LYS 68 6.435 16.350 -3.289 Start of MODEL 19 1 H LYS 1 H LYS 1 -14.193 -27.339 1.912 2 HA LYS 1 HA LYS 1 -15.052 -25.356 1.104 3 HB2 LYS 1 HB2 LYS 1 -13.490 -23.462 0.528 4 HB3 LYS 1 HB3 LYS 1 -13.762 -23.702 2.245 5 HG2 LYS 1 HG2 LYS 1 -11.577 -24.907 2.365 6 HG3 LYS 1 HG3 LYS 1 -11.316 -24.511 0.671 7 HD2 LYS 1 HD2 LYS 1 -11.755 -22.464 2.852 8 HD3 LYS 1 HD3 LYS 1 -10.172 -22.974 2.268 9 HE2 LYS 1 HE2 LYS 1 -12.319 -21.713 0.547 10 HE3 LYS 1 HE3 LYS 1 -10.982 -20.828 1.273 11 HZ1 LYS 1 HZ1 LYS 1 -10.714 -23.043 -0.702 12 HZ2 LYS 1 HZ2 LYS 1 -9.443 -22.177 -0.010 13 HZ3 LYS 1 HZ3 LYS 1 -10.534 -21.399 -1.012 14 HA PRO 2 HA PRO 2 -13.525 -27.350 -2.631 15 HB2 PRO 2 HB2 PRO 2 -15.795 -28.494 -3.356 16 HB3 PRO 2 HB3 PRO 2 -14.910 -29.113 -1.957 17 HG2 PRO 2 HG2 PRO 2 -17.404 -27.504 -2.047 18 HG3 PRO 2 HG3 PRO 2 -16.895 -28.714 -0.862 19 HD2 PRO 2 HD2 PRO 2 -16.645 -25.861 -0.664 20 HD3 PRO 2 HD3 PRO 2 -16.053 -27.086 0.479 21 H VAL 3 H VAL 3 -14.703 -24.585 -2.137 22 HA VAL 3 HA VAL 3 -16.416 -24.156 -4.403 23 HB VAL 3 HB VAL 3 -16.962 -22.925 -2.377 24 HG11 VAL 3 HG11 VAL 3 -15.522 -21.160 -1.467 25 HG12 VAL 3 HG12 VAL 3 -14.258 -21.619 -2.606 26 HG13 VAL 3 HG13 VAL 3 -14.770 -22.754 -1.357 27 HG21 VAL 3 HG21 VAL 3 -15.929 -21.058 -4.516 28 HG22 VAL 3 HG22 VAL 3 -17.081 -20.624 -3.254 29 HG23 VAL 3 HG23 VAL 3 -17.522 -21.816 -4.472 30 H SER 4 H SER 4 -15.824 -23.486 -6.338 31 HA SER 4 HA SER 4 -13.054 -22.849 -6.777 32 HB2 SER 4 HB2 SER 4 -15.379 -23.022 -8.700 33 HB3 SER 4 HB3 SER 4 -13.675 -22.870 -9.141 34 HG SER 4 HG SER 4 -13.949 -24.889 -7.444 35 H LEU 5 H LEU 5 -12.797 -20.917 -5.798 36 HA LEU 5 HA LEU 5 -14.658 -18.784 -6.140 37 HB2 LEU 5 HB2 LEU 5 -13.051 -19.318 -4.141 38 HB3 LEU 5 HB3 LEU 5 -11.829 -18.536 -5.109 39 HG LEU 5 HG LEU 5 -12.695 -17.041 -3.383 40 HD11 LEU 5 HD11 LEU 5 -13.578 -16.166 -6.095 41 HD12 LEU 5 HD12 LEU 5 -11.953 -16.010 -5.424 42 HD13 LEU 5 HD13 LEU 5 -13.294 -15.122 -4.700 43 HD21 LEU 5 HD21 LEU 5 -15.372 -17.386 -4.714 44 HD22 LEU 5 HD22 LEU 5 -15.004 -16.255 -3.417 45 HD23 LEU 5 HD23 LEU 5 -14.914 -17.991 -3.124 46 H SER 6 H SER 6 -14.808 -17.750 -7.980 47 HA SER 6 HA SER 6 -12.993 -18.149 -10.100 48 HB2 SER 6 HB2 SER 6 -15.417 -17.935 -10.442 49 HB3 SER 6 HB3 SER 6 -15.350 -16.264 -9.898 50 HG SER 6 HG SER 6 -14.632 -15.679 -11.777 51 H TYR 7 H TYR 7 -13.351 -15.643 -7.787 52 HA TYR 7 HA TYR 7 -11.846 -13.698 -9.265 53 HB2 TYR 7 HB2 TYR 7 -12.538 -13.776 -6.324 54 HB3 TYR 7 HB3 TYR 7 -11.774 -12.429 -7.147 55 HD1 TYR 7 HD1 TYR 7 -13.047 -11.030 -8.667 56 HD2 TYR 7 HD2 TYR 7 -14.897 -14.229 -6.575 57 HE1 TYR 7 HE1 TYR 7 -15.253 -10.078 -9.176 58 HE2 TYR 7 HE2 TYR 7 -17.107 -13.291 -7.080 59 HH TYR 7 HH TYR 7 -17.526 -10.783 -9.352 60 H ARG 8 H ARG 8 -9.767 -13.145 -9.012 61 HA ARG 8 HA ARG 8 -8.142 -14.669 -7.171 62 HB2 ARG 8 HB2 ARG 8 -6.400 -14.832 -8.965 63 HB3 ARG 8 HB3 ARG 8 -7.818 -15.831 -9.243 64 HG2 ARG 8 HG2 ARG 8 -8.663 -14.061 -10.770 65 HG3 ARG 8 HG3 ARG 8 -7.129 -13.218 -10.557 66 HD2 ARG 8 HD2 ARG 8 -7.119 -14.548 -12.602 67 HD3 ARG 8 HD3 ARG 8 -5.941 -15.154 -11.439 68 HE ARG 8 HE ARG 8 -7.993 -16.725 -10.885 69 HH11 ARG 8 HH11 ARG 8 -6.822 -15.738 -14.086 70 HH12 ARG 8 HH12 ARG 8 -7.188 -17.241 -14.811 71 HH21 ARG 8 HH21 ARG 8 -8.469 -18.775 -11.903 72 HH22 ARG 8 HH22 ARG 8 -8.142 -18.972 -13.564 73 H CYS 9 H CYS 9 -6.898 -13.370 -6.023 74 HA CYS 9 HA CYS 9 -6.921 -10.586 -6.888 75 HB2 CYS 9 HB2 CYS 9 -6.967 -11.694 -4.090 76 HB3 CYS 9 HB3 CYS 9 -6.956 -9.987 -4.514 77 HA PRO 10 HA PRO 10 -2.467 -10.357 -6.964 78 HB2 PRO 10 HB2 PRO 10 -3.099 -7.597 -5.892 79 HB3 PRO 10 HB3 PRO 10 -2.047 -8.078 -7.227 80 HG2 PRO 10 HG2 PRO 10 -4.426 -7.066 -7.709 81 HG3 PRO 10 HG3 PRO 10 -3.820 -8.425 -8.669 82 HD2 PRO 10 HD2 PRO 10 -5.846 -8.410 -6.476 83 HD3 PRO 10 HD3 PRO 10 -5.799 -9.357 -7.983 84 H CYS 11 H CYS 11 -4.043 -8.713 -4.183 85 HA CYS 11 HA CYS 11 -2.157 -10.083 -2.431 86 HB2 CYS 11 HB2 CYS 11 -3.222 -7.284 -2.229 87 HB3 CYS 11 HB3 CYS 11 -2.467 -8.119 -0.881 88 H ARG 12 H ARG 12 -3.240 -11.663 -1.591 89 HA ARG 12 HA ARG 12 -6.002 -11.489 -0.877 90 HB2 ARG 12 HB2 ARG 12 -4.987 -13.612 -1.568 91 HB3 ARG 12 HB3 ARG 12 -3.892 -13.557 -0.197 92 HG2 ARG 12 HG2 ARG 12 -5.700 -15.128 0.192 93 HG3 ARG 12 HG3 ARG 12 -5.804 -13.772 1.317 94 HD2 ARG 12 HD2 ARG 12 -7.517 -12.741 -0.063 95 HD3 ARG 12 HD3 ARG 12 -7.404 -14.062 -1.227 96 HE ARG 12 HE ARG 12 -7.919 -15.221 1.187 97 HH11 ARG 12 HH11 ARG 12 -9.514 -12.854 -0.881 98 HH12 ARG 12 HH12 ARG 12 -11.097 -13.265 -0.394 99 HH21 ARG 12 HH21 ARG 12 -10.096 -15.788 1.881 100 HH22 ARG 12 HH22 ARG 12 -11.440 -14.972 1.244 101 H PHE 13 H PHE 13 -2.919 -11.150 0.707 102 HA PHE 13 HA PHE 13 -4.268 -10.454 3.208 103 HB2 PHE 13 HB2 PHE 13 -2.340 -11.348 4.426 104 HB3 PHE 13 HB3 PHE 13 -3.048 -12.606 3.425 105 HD1 PHE 13 HD1 PHE 13 -1.871 -13.346 1.363 106 HD2 PHE 13 HD2 PHE 13 -0.106 -10.573 4.074 107 HE1 PHE 13 HE1 PHE 13 0.331 -13.763 0.354 108 HE2 PHE 13 HE2 PHE 13 2.096 -10.984 3.068 109 HZ PHE 13 HZ PHE 13 2.318 -12.578 1.203 110 H PHE 14 H PHE 14 -3.078 -8.925 4.486 111 HA PHE 14 HA PHE 14 -1.078 -7.260 3.089 112 HB2 PHE 14 HB2 PHE 14 -3.405 -6.301 4.706 113 HB3 PHE 14 HB3 PHE 14 -2.191 -5.265 3.964 114 HD1 PHE 14 HD1 PHE 14 -2.102 -5.502 1.332 115 HD2 PHE 14 HD2 PHE 14 -5.448 -6.543 3.725 116 HE1 PHE 14 HE1 PHE 14 -3.567 -5.268 -0.622 117 HE2 PHE 14 HE2 PHE 14 -6.921 -6.315 1.779 118 HZ PHE 14 HZ PHE 14 -5.994 -5.678 -0.393 119 H GLU 15 H GLU 15 0.386 -6.317 4.532 120 HA GLU 15 HA GLU 15 0.602 -7.734 7.018 121 HB2 GLU 15 HB2 GLU 15 2.342 -7.210 5.100 122 HB3 GLU 15 HB3 GLU 15 2.451 -5.656 5.889 123 HG2 GLU 15 HG2 GLU 15 3.045 -8.313 7.152 124 HG3 GLU 15 HG3 GLU 15 4.203 -7.173 6.472 125 H SER 16 H SER 16 0.448 -6.567 9.002 126 HA SER 16 HA SER 16 -0.771 -3.908 8.729 127 HB2 SER 16 HB2 SER 16 -2.090 -4.528 10.758 128 HB3 SER 16 HB3 SER 16 -2.435 -5.501 9.327 129 HG SER 16 HG SER 16 -1.523 -7.202 10.209 130 H HIS 17 H HIS 17 2.000 -5.347 9.863 131 HA HIS 17 HA HIS 17 2.253 -3.439 12.111 132 HB2 HIS 17 HB2 HIS 17 3.886 -5.939 11.530 133 HB3 HIS 17 HB3 HIS 17 4.089 -4.882 12.915 134 HD1 HIS 17 HD1 HIS 17 2.587 -5.322 14.945 135 HD2 HIS 17 HD2 HIS 17 1.512 -7.547 11.607 136 HE1 HIS 17 HE1 HIS 17 0.892 -6.964 15.750 137 HE2 HIS 17 HE2 HIS 17 0.516 -8.476 13.797 138 H VAL 18 H VAL 18 2.525 -3.094 9.196 139 HA VAL 18 HA VAL 18 5.197 -3.047 8.385 140 HB VAL 18 HB VAL 18 2.941 -1.386 7.271 141 HG11 VAL 18 HG11 VAL 18 4.232 -1.434 5.200 142 HG12 VAL 18 HG12 VAL 18 5.489 -2.360 6.011 143 HG13 VAL 18 HG13 VAL 18 5.158 -0.704 6.517 144 HG21 VAL 18 HG21 VAL 18 2.314 -3.742 7.329 145 HG22 VAL 18 HG22 VAL 18 3.808 -4.180 6.528 146 HG23 VAL 18 HG23 VAL 18 2.607 -3.219 5.669 147 H ALA 19 H ALA 19 6.755 -1.715 8.907 148 HA ALA 19 HA ALA 19 6.178 0.964 9.940 149 HB1 ALA 19 HB1 ALA 19 8.565 0.931 10.601 150 HB2 ALA 19 HB2 ALA 19 8.720 -0.672 9.873 151 HB3 ALA 19 HB3 ALA 19 7.683 -0.441 11.276 152 H ARG 20 H ARG 20 6.730 2.745 8.737 153 HA ARG 20 HA ARG 20 7.073 2.414 5.957 154 HB2 ARG 20 HB2 ARG 20 5.926 4.349 6.866 155 HB3 ARG 20 HB3 ARG 20 7.418 4.898 7.623 156 HG2 ARG 20 HG2 ARG 20 8.421 5.316 5.480 157 HG3 ARG 20 HG3 ARG 20 7.039 4.601 4.651 158 HD2 ARG 20 HD2 ARG 20 5.605 6.286 5.476 159 HD3 ARG 20 HD3 ARG 20 6.908 7.048 6.412 160 HE ARG 20 HE ARG 20 7.554 6.845 3.652 161 HH11 ARG 20 HH11 ARG 20 5.545 8.732 5.882 162 HH12 ARG 20 HH12 ARG 20 5.570 10.142 4.937 163 HH21 ARG 20 HH21 ARG 20 7.585 8.756 2.359 164 HH22 ARG 20 HH22 ARG 20 6.769 10.172 2.902 165 H ALA 21 H ALA 21 9.394 3.037 8.482 166 HA ALA 21 HA ALA 21 11.556 3.728 6.757 167 HB1 ALA 21 HB1 ALA 21 11.509 4.392 9.108 168 HB2 ALA 21 HB2 ALA 21 12.951 3.441 8.756 169 HB3 ALA 21 HB3 ALA 21 11.588 2.701 9.598 170 H ASN 22 H ASN 22 10.000 0.862 7.360 171 HA ASN 22 HA ASN 22 12.335 -0.800 6.885 172 HB2 ASN 22 HB2 ASN 22 11.050 -1.467 8.801 173 HB3 ASN 22 HB3 ASN 22 9.552 -1.361 7.911 174 HD21 ASN 22 HD21 ASN 22 8.809 -3.131 6.998 175 HD22 ASN 22 HD22 ASN 22 9.602 -4.646 6.985 176 H VAL 23 H VAL 23 9.871 0.690 5.142 177 HA VAL 23 HA VAL 23 9.788 -1.383 3.080 178 HB VAL 23 HB VAL 23 8.122 1.157 3.313 179 HG11 VAL 23 HG11 VAL 23 6.721 0.175 1.626 180 HG12 VAL 23 HG12 VAL 23 7.851 -1.183 1.479 181 HG13 VAL 23 HG13 VAL 23 8.362 0.446 1.035 182 HG21 VAL 23 HG21 VAL 23 6.308 -0.318 3.965 183 HG22 VAL 23 HG22 VAL 23 7.645 -0.416 5.111 184 HG23 VAL 23 HG23 VAL 23 7.405 -1.698 3.930 185 H LYS 24 H LYS 24 10.606 -1.069 1.057 186 HA LYS 24 HA LYS 24 12.401 1.238 0.581 187 HB2 LYS 24 HB2 LYS 24 13.175 0.027 -1.335 188 HB3 LYS 24 HB3 LYS 24 13.278 -1.018 0.079 189 HG2 LYS 24 HG2 LYS 24 11.429 -2.303 -0.618 190 HG3 LYS 24 HG3 LYS 24 10.947 -1.108 -1.808 191 HD2 LYS 24 HD2 LYS 24 13.414 -2.869 -1.952 192 HD3 LYS 24 HD3 LYS 24 11.895 -3.046 -2.858 193 HE2 LYS 24 HE2 LYS 24 12.227 -0.803 -3.771 194 HE3 LYS 24 HE3 LYS 24 13.761 -0.716 -3.027 195 HZ1 LYS 24 HZ1 LYS 24 14.040 -1.475 -5.315 196 HZ2 LYS 24 HZ2 LYS 24 13.053 -2.805 -5.010 197 HZ3 LYS 24 HZ3 LYS 24 14.543 -2.678 -4.239 198 H HIS 25 H HIS 25 9.425 -0.125 -0.535 199 HA HIS 25 HA HIS 25 8.939 2.119 -2.269 200 HB2 HIS 25 HB2 HIS 25 10.554 0.927 -3.602 201 HB3 HIS 25 HB3 HIS 25 9.711 -0.568 -3.334 202 HD1 HIS 25 HD1 HIS 25 8.368 2.746 -4.723 203 HD2 HIS 25 HD2 HIS 25 8.790 -1.268 -5.587 204 HE1 HIS 25 HE1 HIS 25 7.074 2.415 -6.849 205 HE2 HIS 25 HE2 HIS 25 7.670 0.089 -7.535 206 H LEU 26 H LEU 26 6.780 2.353 -2.562 207 HA LEU 26 HA LEU 26 5.049 0.049 -2.009 208 HB2 LEU 26 HB2 LEU 26 4.384 2.998 -1.747 209 HB3 LEU 26 HB3 LEU 26 3.258 1.692 -1.503 210 HG LEU 26 HG LEU 26 4.712 0.976 0.455 211 HD11 LEU 26 HD11 LEU 26 6.136 2.669 1.476 212 HD12 LEU 26 HD12 LEU 26 5.912 3.711 0.068 213 HD13 LEU 26 HD13 LEU 26 6.743 2.164 -0.101 214 HD21 LEU 26 HD21 LEU 26 2.585 2.085 0.746 215 HD22 LEU 26 HD22 LEU 26 3.356 3.660 0.550 216 HD23 LEU 26 HD23 LEU 26 3.743 2.660 1.948 217 H LYS 27 H LYS 27 3.512 -0.450 -3.483 218 HA LYS 27 HA LYS 27 3.065 1.266 -5.814 219 HB2 LYS 27 HB2 LYS 27 4.852 -0.644 -6.208 220 HB3 LYS 27 HB3 LYS 27 3.530 -1.714 -6.001 221 HG2 LYS 27 HG2 LYS 27 3.530 0.394 -8.156 222 HG3 LYS 27 HG3 LYS 27 4.169 -1.228 -8.377 223 HD2 LYS 27 HD2 LYS 27 1.323 -0.627 -7.542 224 HD3 LYS 27 HD3 LYS 27 1.818 -0.909 -9.211 225 HE2 LYS 27 HE2 LYS 27 2.272 -2.837 -6.963 226 HE3 LYS 27 HE3 LYS 27 0.871 -2.933 -8.044 227 HZ1 LYS 27 HZ1 LYS 27 2.597 -4.442 -8.786 228 HZ2 LYS 27 HZ2 LYS 27 3.753 -3.227 -8.834 229 HZ3 LYS 27 HZ3 LYS 27 2.450 -3.219 -9.896 230 H ILE 28 H ILE 28 0.946 1.615 -5.503 231 HA ILE 28 HA ILE 28 -0.629 -0.485 -4.240 232 HB ILE 28 HB ILE 28 -1.551 2.339 -4.850 233 HG12 ILE 28 HG12 ILE 28 -0.406 1.148 -2.338 234 HG13 ILE 28 HG13 ILE 28 0.388 2.361 -3.332 235 HG21 ILE 28 HG21 ILE 28 -3.333 0.644 -4.479 236 HG22 ILE 28 HG22 ILE 28 -3.261 1.809 -3.148 237 HG23 ILE 28 HG23 ILE 28 -2.559 0.206 -2.954 238 HD11 ILE 28 HD11 ILE 28 -0.585 3.276 -1.283 239 HD12 ILE 28 HD12 ILE 28 -2.172 2.727 -1.781 240 HD13 ILE 28 HD13 ILE 28 -1.345 3.989 -2.713 241 H LEU 29 H LEU 29 -2.078 -1.678 -5.233 242 HA LEU 29 HA LEU 29 -2.727 -1.145 -8.041 243 HB2 LEU 29 HB2 LEU 29 -1.268 -3.082 -7.750 244 HB3 LEU 29 HB3 LEU 29 -2.358 -3.725 -6.539 245 HG LEU 29 HG LEU 29 -4.002 -4.276 -8.175 246 HD11 LEU 29 HD11 LEU 29 -3.764 -2.313 -9.650 247 HD12 LEU 29 HD12 LEU 29 -3.659 -3.805 -10.577 248 HD13 LEU 29 HD13 LEU 29 -2.190 -2.904 -10.194 249 HD21 LEU 29 HD21 LEU 29 -1.256 -5.003 -9.171 250 HD22 LEU 29 HD22 LEU 29 -2.758 -5.846 -9.557 251 HD23 LEU 29 HD23 LEU 29 -2.158 -5.828 -7.897 252 H ASN 30 H ASN 30 -4.804 -0.611 -8.287 253 HA ASN 30 HA ASN 30 -6.709 -1.466 -6.251 254 HB2 ASN 30 HB2 ASN 30 -8.213 0.318 -7.154 255 HB3 ASN 30 HB3 ASN 30 -6.687 0.929 -6.545 256 HD21 ASN 30 HD21 ASN 30 -8.621 0.391 -9.360 257 HD22 ASN 30 HD22 ASN 30 -7.664 1.336 -10.453 258 H THR 31 H THR 31 -8.086 -3.040 -6.610 259 HA THR 31 HA THR 31 -8.807 -3.678 -9.374 260 HB THR 31 HB THR 31 -8.517 -5.551 -7.006 261 HG1 THR 31 HG1 THR 31 -6.746 -4.937 -9.153 262 HG21 THR 31 HG21 THR 31 -8.584 -7.336 -8.683 263 HG22 THR 31 HG22 THR 31 -8.754 -6.137 -9.965 264 HG23 THR 31 HG23 THR 31 -10.036 -6.338 -8.772 265 HA PRO 32 HA PRO 32 -13.030 -2.696 -8.136 266 HB2 PRO 32 HB2 PRO 32 -13.710 -5.291 -9.445 267 HB3 PRO 32 HB3 PRO 32 -14.473 -3.707 -9.628 268 HG2 PRO 32 HG2 PRO 32 -12.819 -4.566 -11.496 269 HG3 PRO 32 HG3 PRO 32 -12.745 -2.879 -10.956 270 HD2 PRO 32 HD2 PRO 32 -10.905 -5.145 -10.340 271 HD3 PRO 32 HD3 PRO 32 -10.540 -3.428 -10.592 272 H ASN 33 H ASN 33 -12.646 -6.288 -7.833 273 HA ASN 33 HA ASN 33 -14.271 -6.082 -5.416 274 HB2 ASN 33 HB2 ASN 33 -13.722 -8.509 -7.156 275 HB3 ASN 33 HB3 ASN 33 -14.514 -8.590 -5.597 276 HD21 ASN 33 HD21 ASN 33 -14.835 -7.582 -8.931 277 HD22 ASN 33 HD22 ASN 33 -16.529 -7.335 -8.872 278 H CYS 34 H CYS 34 -11.115 -6.853 -6.490 279 HA CYS 34 HA CYS 34 -10.448 -8.115 -3.982 280 HB2 CYS 34 HB2 CYS 34 -8.675 -7.332 -6.300 281 HB3 CYS 34 HB3 CYS 34 -8.155 -8.239 -4.884 282 H ALA 35 H ALA 35 -10.929 -5.058 -4.997 283 HA ALA 35 HA ALA 35 -10.853 -3.109 -3.965 284 HB1 ALA 35 HB1 ALA 35 -9.572 -4.579 -1.708 285 HB2 ALA 35 HB2 ALA 35 -11.309 -4.451 -2.024 286 HB3 ALA 35 HB3 ALA 35 -10.377 -2.991 -1.605 287 H LEU 36 H LEU 36 -9.061 -1.705 -2.430 288 HA LEU 36 HA LEU 36 -7.008 -1.155 -4.222 289 HB2 LEU 36 HB2 LEU 36 -8.390 0.484 -3.075 290 HB3 LEU 36 HB3 LEU 36 -7.880 -0.152 -1.522 291 HG LEU 36 HG LEU 36 -5.684 0.367 -2.096 292 HD11 LEU 36 HD11 LEU 36 -6.973 1.922 -4.381 293 HD12 LEU 36 HD12 LEU 36 -5.806 0.610 -4.537 294 HD13 LEU 36 HD13 LEU 36 -5.298 2.175 -3.902 295 HD21 LEU 36 HD21 LEU 36 -5.862 2.833 -1.606 296 HD22 LEU 36 HD22 LEU 36 -6.856 1.796 -0.588 297 HD23 LEU 36 HD23 LEU 36 -7.591 2.691 -1.915 298 H GLN 37 H GLN 37 -5.230 -2.451 -4.133 299 HA GLN 37 HA GLN 37 -4.452 -3.666 -1.576 300 HB2 GLN 37 HB2 GLN 37 -4.008 -4.505 -4.432 301 HB3 GLN 37 HB3 GLN 37 -3.460 -5.391 -3.011 302 HG2 GLN 37 HG2 GLN 37 -5.594 -5.937 -2.368 303 HG3 GLN 37 HG3 GLN 37 -6.347 -4.709 -3.389 304 HE21 GLN 37 HE21 GLN 37 -6.475 -5.086 -5.528 305 HE22 GLN 37 HE22 GLN 37 -6.422 -6.642 -6.241 306 H ILE 38 H ILE 38 -2.542 -2.989 -0.800 307 HA ILE 38 HA ILE 38 -0.877 -1.314 -2.519 308 HB ILE 38 HB ILE 38 -0.862 -1.790 0.429 309 HG12 ILE 38 HG12 ILE 38 -1.894 0.619 -1.075 310 HG13 ILE 38 HG13 ILE 38 -2.891 -0.641 -0.353 311 HG21 ILE 38 HG21 ILE 38 1.341 -1.137 -0.268 312 HG22 ILE 38 HG22 ILE 38 0.618 0.280 0.501 313 HG23 ILE 38 HG23 ILE 38 0.729 0.180 -1.249 314 HD11 ILE 38 HD11 ILE 38 -2.067 -0.034 1.837 315 HD12 ILE 38 HD12 ILE 38 -2.802 1.347 0.996 316 HD13 ILE 38 HD13 ILE 38 -1.042 1.214 1.077 317 H VAL 39 H VAL 39 1.053 -2.140 -3.221 318 HA VAL 39 HA VAL 39 2.059 -4.585 -1.917 319 HB VAL 39 HB VAL 39 2.560 -3.518 -4.713 320 HG11 VAL 39 HG11 VAL 39 4.503 -4.670 -3.927 321 HG12 VAL 39 HG12 VAL 39 3.705 -5.645 -5.159 322 HG13 VAL 39 HG13 VAL 39 3.542 -6.072 -3.448 323 HG21 VAL 39 HG21 VAL 39 1.303 -5.479 -5.511 324 HG22 VAL 39 HG22 VAL 39 0.314 -4.409 -4.521 325 HG23 VAL 39 HG23 VAL 39 0.941 -5.912 -3.839 326 H ALA 40 H ALA 40 3.971 -4.420 -0.894 327 HA ALA 40 HA ALA 40 5.750 -2.261 -1.673 328 HB1 ALA 40 HB1 ALA 40 6.018 -1.441 0.588 329 HB2 ALA 40 HB2 ALA 40 4.840 -2.616 1.162 330 HB3 ALA 40 HB3 ALA 40 4.337 -1.319 0.082 331 H ARG 41 H ARG 41 7.840 -2.721 -1.465 332 HA ARG 41 HA ARG 41 8.455 -5.262 -0.258 333 HB2 ARG 41 HB2 ARG 41 9.217 -3.991 -2.663 334 HB3 ARG 41 HB3 ARG 41 10.659 -4.317 -1.714 335 HG2 ARG 41 HG2 ARG 41 10.157 -6.582 -1.541 336 HG3 ARG 41 HG3 ARG 41 8.529 -6.372 -2.139 337 HD2 ARG 41 HD2 ARG 41 11.094 -6.049 -3.632 338 HD3 ARG 41 HD3 ARG 41 9.891 -7.374 -3.731 339 HE ARG 41 HE ARG 41 8.837 -4.767 -4.335 340 HH11 ARG 41 HH11 ARG 41 10.231 -7.719 -5.734 341 HH12 ARG 41 HH12 ARG 41 9.632 -7.401 -7.294 342 HH21 ARG 41 HH21 ARG 41 8.018 -4.381 -6.486 343 HH22 ARG 41 HH22 ARG 41 8.364 -5.478 -7.733 344 H LEU 42 H LEU 42 10.082 -5.462 1.116 345 HA LEU 42 HA LEU 42 10.590 -3.112 2.729 346 HB2 LEU 42 HB2 LEU 42 11.651 -5.887 3.224 347 HB3 LEU 42 HB3 LEU 42 11.491 -4.560 4.338 348 HG LEU 42 HG LEU 42 9.181 -6.078 3.144 349 HD11 LEU 42 HD11 LEU 42 10.215 -5.986 5.968 350 HD12 LEU 42 HD12 LEU 42 10.350 -7.341 4.856 351 HD13 LEU 42 HD13 LEU 42 8.767 -6.827 5.421 352 HD21 LEU 42 HD21 LEU 42 9.178 -3.775 5.100 353 HD22 LEU 42 HD22 LEU 42 7.766 -4.712 4.617 354 HD23 LEU 42 HD23 LEU 42 8.608 -3.713 3.431 355 H LYS 43 H LYS 43 12.838 -2.782 3.610 356 HA LYS 43 HA LYS 43 14.574 -2.457 1.329 357 HB2 LYS 43 HB2 LYS 43 14.916 -1.559 4.180 358 HB3 LYS 43 HB3 LYS 43 15.921 -1.086 2.815 359 HG2 LYS 43 HG2 LYS 43 14.020 0.003 1.777 360 HG3 LYS 43 HG3 LYS 43 12.986 -0.505 3.108 361 HD2 LYS 43 HD2 LYS 43 13.651 1.814 3.376 362 HD3 LYS 43 HD3 LYS 43 14.360 0.824 4.654 363 HE2 LYS 43 HE2 LYS 43 16.470 0.778 3.480 364 HE3 LYS 43 HE3 LYS 43 15.753 1.672 2.135 365 HZ1 LYS 43 HZ1 LYS 43 15.403 3.535 3.648 366 HZ2 LYS 43 HZ2 LYS 43 17.033 3.118 3.588 367 HZ3 LYS 43 HZ3 LYS 43 16.118 2.670 4.911 368 H ASN 44 H ASN 44 14.985 -3.848 4.616 369 HA ASN 44 HA ASN 44 17.607 -4.861 3.912 370 HB2 ASN 44 HB2 ASN 44 17.089 -4.060 6.198 371 HB3 ASN 44 HB3 ASN 44 15.907 -5.340 6.383 372 HD21 ASN 44 HD21 ASN 44 18.170 -4.721 7.980 373 HD22 ASN 44 HD22 ASN 44 19.211 -6.099 8.024 374 H ASN 45 H ASN 45 14.411 -6.174 4.412 375 HA ASN 45 HA ASN 45 15.358 -8.889 4.001 376 HB2 ASN 45 HB2 ASN 45 13.375 -8.283 5.546 377 HB3 ASN 45 HB3 ASN 45 12.487 -7.934 4.083 378 HD21 ASN 45 HD21 ASN 45 11.850 -9.853 6.094 379 HD22 ASN 45 HD22 ASN 45 11.846 -11.402 5.338 380 H ASN 46 H ASN 46 13.891 -6.289 2.222 381 HA ASN 46 HA ASN 46 13.202 -5.965 0.037 382 HB2 ASN 46 HB2 ASN 46 15.521 -6.945 -0.458 383 HB3 ASN 46 HB3 ASN 46 14.744 -8.515 -0.605 384 HD21 ASN 46 HD21 ASN 46 13.409 -5.448 -1.730 385 HD22 ASN 46 HD22 ASN 46 13.473 -5.841 -3.407 386 H ARG 47 H ARG 47 11.912 -7.753 2.032 387 HA ARG 47 HA ARG 47 10.514 -9.847 0.847 388 HB2 ARG 47 HB2 ARG 47 11.058 -9.432 3.238 389 HB3 ARG 47 HB3 ARG 47 9.974 -8.053 3.151 390 HG2 ARG 47 HG2 ARG 47 8.969 -9.809 4.238 391 HG3 ARG 47 HG3 ARG 47 8.164 -9.544 2.661 392 HD2 ARG 47 HD2 ARG 47 9.508 -11.357 1.748 393 HD3 ARG 47 HD3 ARG 47 10.202 -11.649 3.328 394 HE ARG 47 HE ARG 47 7.372 -11.784 3.466 395 HH11 ARG 47 HH11 ARG 47 10.134 -13.663 2.323 396 HH12 ARG 47 HH12 ARG 47 9.415 -15.168 2.627 397 HH21 ARG 47 HH21 ARG 47 6.366 -13.865 3.849 398 HH22 ARG 47 HH22 ARG 47 7.239 -15.289 3.489 399 H GLN 48 H GLN 48 8.753 -9.794 -0.344 400 HA GLN 48 HA GLN 48 7.544 -7.209 -0.814 401 HB2 GLN 48 HB2 GLN 48 8.377 -8.699 -2.665 402 HB3 GLN 48 HB3 GLN 48 7.139 -9.850 -2.200 403 HG2 GLN 48 HG2 GLN 48 5.436 -8.169 -2.666 404 HG3 GLN 48 HG3 GLN 48 6.715 -7.058 -3.129 405 HE21 GLN 48 HE21 GLN 48 4.503 -8.228 -4.705 406 HE22 GLN 48 HE22 GLN 48 5.271 -8.957 -6.069 407 H VAL 49 H VAL 49 5.834 -6.711 0.269 408 HA VAL 49 HA VAL 49 3.995 -8.816 1.079 409 HB VAL 49 HB VAL 49 3.603 -7.664 3.229 410 HG11 VAL 49 HG11 VAL 49 5.659 -8.299 4.401 411 HG12 VAL 49 HG12 VAL 49 6.488 -8.404 2.847 412 HG13 VAL 49 HG13 VAL 49 5.169 -9.515 3.216 413 HG21 VAL 49 HG21 VAL 49 4.271 -5.396 2.617 414 HG22 VAL 49 HG22 VAL 49 5.953 -5.910 2.477 415 HG23 VAL 49 HG23 VAL 49 5.152 -5.927 4.047 416 H CYS 50 H CYS 50 1.945 -7.640 1.877 417 HA CYS 50 HA CYS 50 1.450 -5.456 0.018 418 HB2 CYS 50 HB2 CYS 50 -0.614 -7.362 1.162 419 HB3 CYS 50 HB3 CYS 50 -0.800 -6.163 -0.087 420 H ILE 51 H ILE 51 0.087 -3.801 0.832 421 HA ILE 51 HA ILE 51 0.195 -3.653 3.749 422 HB ILE 51 HB ILE 51 0.515 -1.336 1.824 423 HG12 ILE 51 HG12 ILE 51 2.458 -2.949 3.416 424 HG13 ILE 51 HG13 ILE 51 2.448 -2.637 1.714 425 HG21 ILE 51 HG21 ILE 51 -0.566 -0.718 3.927 426 HG22 ILE 51 HG22 ILE 51 1.068 -0.052 3.805 427 HG23 ILE 51 HG23 ILE 51 0.767 -1.477 4.804 428 HD11 ILE 51 HD11 ILE 51 2.978 -0.292 2.006 429 HD12 ILE 51 HD12 ILE 51 4.195 -1.292 2.803 430 HD13 ILE 51 HD13 ILE 51 2.952 -0.488 3.762 431 H ASP 52 H ASP 52 -1.505 -2.825 4.793 432 HA ASP 52 HA ASP 52 -3.994 -2.931 3.344 433 HB2 ASP 52 HB2 ASP 52 -3.486 -4.061 5.458 434 HB3 ASP 52 HB3 ASP 52 -3.497 -2.499 6.268 435 HA PRO 53 HA PRO 53 -4.156 1.509 2.948 436 HB2 PRO 53 HB2 PRO 53 -6.906 1.706 2.724 437 HB3 PRO 53 HB3 PRO 53 -5.804 1.340 1.396 438 HG2 PRO 53 HG2 PRO 53 -7.436 -0.532 3.072 439 HG3 PRO 53 HG3 PRO 53 -7.122 -0.578 1.329 440 HD2 PRO 53 HD2 PRO 53 -5.863 -2.182 3.024 441 HD3 PRO 53 HD3 PRO 53 -5.023 -1.510 1.612 442 H LYS 54 H LYS 54 -5.824 -0.186 5.556 443 HA LYS 54 HA LYS 54 -6.783 2.296 6.721 444 HB2 LYS 54 HB2 LYS 54 -7.695 1.056 8.491 445 HB3 LYS 54 HB3 LYS 54 -8.067 0.270 6.969 446 HG2 LYS 54 HG2 LYS 54 -6.317 -1.374 7.421 447 HG3 LYS 54 HG3 LYS 54 -5.991 -0.575 8.963 448 HD2 LYS 54 HD2 LYS 54 -7.490 -2.385 9.445 449 HD3 LYS 54 HD3 LYS 54 -8.294 -0.788 9.485 450 HE2 LYS 54 HE2 LYS 54 -9.666 -2.575 8.363 451 HE3 LYS 54 HE3 LYS 54 -9.395 -1.130 7.408 452 HZ1 LYS 54 HZ1 LYS 54 -7.979 -3.745 7.108 453 HZ2 LYS 54 HZ2 LYS 54 -7.530 -2.358 6.319 454 HZ3 LYS 54 HZ3 LYS 54 -9.026 -3.018 5.992 455 H LEU 55 H LEU 55 -3.763 1.051 6.627 456 HA LEU 55 HA LEU 55 -2.912 1.517 9.271 457 HB2 LEU 55 HB2 LEU 55 -1.534 1.500 6.654 458 HB3 LEU 55 HB3 LEU 55 -0.626 1.877 8.074 459 HG LEU 55 HG LEU 55 -2.059 -0.753 7.528 460 HD11 LEU 55 HD11 LEU 55 0.865 -0.063 7.652 461 HD12 LEU 55 HD12 LEU 55 -0.063 -0.372 6.183 462 HD13 LEU 55 HD13 LEU 55 0.180 -1.667 7.357 463 HD21 LEU 55 HD21 LEU 55 -1.995 -0.232 9.942 464 HD22 LEU 55 HD22 LEU 55 -0.245 0.032 9.794 465 HD23 LEU 55 HD23 LEU 55 -0.908 -1.562 9.515 466 H LYS 56 H LYS 56 -2.210 3.225 10.260 467 HA LYS 56 HA LYS 56 -3.375 5.712 9.540 468 HB2 LYS 56 HB2 LYS 56 -3.099 4.943 11.833 469 HB3 LYS 56 HB3 LYS 56 -1.357 5.165 11.693 470 HG2 LYS 56 HG2 LYS 56 -1.716 7.541 11.227 471 HG3 LYS 56 HG3 LYS 56 -3.450 7.310 11.441 472 HD2 LYS 56 HD2 LYS 56 -1.339 6.773 13.473 473 HD3 LYS 56 HD3 LYS 56 -2.367 8.219 13.428 474 HE2 LYS 56 HE2 LYS 56 -4.338 6.789 13.746 475 HE3 LYS 56 HE3 LYS 56 -3.302 5.365 13.770 476 HZ1 LYS 56 HZ1 LYS 56 -2.227 6.241 15.746 477 HZ2 LYS 56 HZ2 LYS 56 -3.877 6.023 16.000 478 HZ3 LYS 56 HZ3 LYS 56 -3.258 7.566 15.761 479 H TRP 57 H TRP 57 -0.019 4.557 9.480 480 HA TRP 57 HA TRP 57 0.883 7.137 8.651 481 HB2 TRP 57 HB2 TRP 57 3.082 6.201 8.317 482 HB3 TRP 57 HB3 TRP 57 2.414 5.520 9.790 483 HD1 TRP 57 HD1 TRP 57 2.056 2.852 9.825 484 HE1 TRP 57 HE1 TRP 57 2.879 1.006 8.292 485 HE3 TRP 57 HE3 TRP 57 3.510 5.704 5.852 486 HZ2 TRP 57 HZ2 TRP 57 3.995 0.756 5.724 487 HZ3 TRP 57 HZ3 TRP 57 4.457 4.582 3.885 488 HH2 TRP 57 HH2 TRP 57 4.700 2.184 3.809 489 H ILE 58 H ILE 58 -0.463 4.450 7.070 490 HA ILE 58 HA ILE 58 0.380 5.137 4.446 491 HB ILE 58 HB ILE 58 -1.900 3.396 5.446 492 HG12 ILE 58 HG12 ILE 58 0.382 2.521 5.743 493 HG13 ILE 58 HG13 ILE 58 -0.529 1.536 4.618 494 HG21 ILE 58 HG21 ILE 58 -2.224 2.637 3.175 495 HG22 ILE 58 HG22 ILE 58 -1.041 3.835 2.615 496 HG23 ILE 58 HG23 ILE 58 -2.565 4.381 3.335 497 HD11 ILE 58 HD11 ILE 58 1.727 1.862 3.836 498 HD12 ILE 58 HD12 ILE 58 1.526 3.608 3.875 499 HD13 ILE 58 HD13 ILE 58 0.588 2.642 2.742 500 H GLN 59 H GLN 59 -2.265 6.014 6.518 501 HA GLN 59 HA GLN 59 -3.699 7.525 4.619 502 HB2 GLN 59 HB2 GLN 59 -3.517 7.858 7.618 503 HB3 GLN 59 HB3 GLN 59 -4.664 8.713 6.597 504 HG2 GLN 59 HG2 GLN 59 -4.500 5.733 6.976 505 HG3 GLN 59 HG3 GLN 59 -5.716 6.809 7.662 506 HE21 GLN 59 HE21 GLN 59 -4.587 5.240 4.805 507 HE22 GLN 59 HE22 GLN 59 -5.937 5.582 3.808 508 H GLU 60 H GLU 60 -1.132 8.336 6.858 509 HA GLU 60 HA GLU 60 -0.785 11.061 6.158 510 HB2 GLU 60 HB2 GLU 60 1.310 9.038 6.998 511 HB3 GLU 60 HB3 GLU 60 1.505 10.783 7.013 512 HG2 GLU 60 HG2 GLU 60 -0.476 9.258 8.678 513 HG3 GLU 60 HG3 GLU 60 1.096 9.820 9.239 514 H TYR 61 H TYR 61 0.661 8.095 4.895 515 HA TYR 61 HA TYR 61 2.349 9.022 2.914 516 HB2 TYR 61 HB2 TYR 61 2.252 6.612 3.496 517 HB3 TYR 61 HB3 TYR 61 0.594 6.593 3.009 518 HD1 TYR 61 HD1 TYR 61 3.876 7.451 1.387 519 HD2 TYR 61 HD2 TYR 61 0.056 5.626 1.087 520 HE1 TYR 61 HE1 TYR 61 4.398 6.736 -0.921 521 HE2 TYR 61 HE2 TYR 61 0.512 4.923 -1.161 522 HH TYR 61 HH TYR 61 3.685 5.061 -2.535 523 H LEU 62 H LEU 62 -1.037 8.160 2.583 524 HA LEU 62 HA LEU 62 -1.133 8.889 -0.104 525 HB2 LEU 62 HB2 LEU 62 -3.192 8.154 1.884 526 HB3 LEU 62 HB3 LEU 62 -3.620 8.609 0.233 527 HG LEU 62 HG LEU 62 -1.475 6.603 0.635 528 HD11 LEU 62 HD11 LEU 62 -3.045 4.874 0.506 529 HD12 LEU 62 HD12 LEU 62 -4.406 6.056 0.693 530 HD13 LEU 62 HD13 LEU 62 -3.162 5.831 1.979 531 HD21 LEU 62 HD21 LEU 62 -1.879 7.503 -1.578 532 HD22 LEU 62 HD22 LEU 62 -3.575 7.008 -1.456 533 HD23 LEU 62 HD23 LEU 62 -2.308 5.788 -1.488 534 H GLU 63 H GLU 63 -2.200 10.512 2.815 535 HA GLU 63 HA GLU 63 -3.189 12.764 1.449 536 HB2 GLU 63 HB2 GLU 63 -2.157 12.421 4.234 537 HB3 GLU 63 HB3 GLU 63 -2.783 13.968 3.731 538 HG2 GLU 63 HG2 GLU 63 -4.916 12.758 3.102 539 HG3 GLU 63 HG3 GLU 63 -4.233 11.332 3.876 540 H LYS 64 H LYS 64 -0.007 11.913 2.456 541 HA LYS 64 HA LYS 64 1.470 14.230 1.890 542 HB2 LYS 64 HB2 LYS 64 2.386 12.287 2.989 543 HB3 LYS 64 HB3 LYS 64 2.090 11.306 1.575 544 HG2 LYS 64 HG2 LYS 64 4.286 11.683 1.499 545 HG3 LYS 64 HG3 LYS 64 3.651 12.841 0.375 546 HD2 LYS 64 HD2 LYS 64 3.721 14.645 2.009 547 HD3 LYS 64 HD3 LYS 64 4.371 13.536 3.221 548 HE2 LYS 64 HE2 LYS 64 6.336 13.177 1.803 549 HE3 LYS 64 HE3 LYS 64 5.687 14.312 0.631 550 HZ1 LYS 64 HZ1 LYS 64 6.448 14.947 3.422 551 HZ2 LYS 64 HZ2 LYS 64 5.777 16.038 2.336 552 HZ3 LYS 64 HZ3 LYS 64 7.297 15.376 2.028 553 H ALA 65 H ALA 65 1.197 11.343 -0.066 554 HA ALA 65 HA ALA 65 2.150 12.271 -2.495 555 HB1 ALA 65 HB1 ALA 65 1.135 10.339 -3.533 556 HB2 ALA 65 HB2 ALA 65 0.070 10.130 -2.146 557 HB3 ALA 65 HB3 ALA 65 1.813 9.897 -1.961 558 H LEU 66 H LEU 66 -1.287 12.267 -1.442 559 HA LEU 66 HA LEU 66 -2.070 13.387 -3.891 560 HB2 LEU 66 HB2 LEU 66 -3.526 12.884 -1.333 561 HB3 LEU 66 HB3 LEU 66 -4.272 13.873 -2.575 562 HG LEU 66 HG LEU 66 -4.083 11.964 -4.140 563 HD11 LEU 66 HD11 LEU 66 -2.254 10.730 -3.212 564 HD12 LEU 66 HD12 LEU 66 -3.683 9.706 -3.331 565 HD13 LEU 66 HD13 LEU 66 -3.198 10.365 -1.768 566 HD21 LEU 66 HD21 LEU 66 -6.159 12.364 -2.999 567 HD22 LEU 66 HD22 LEU 66 -5.615 11.402 -1.621 568 HD23 LEU 66 HD23 LEU 66 -5.901 10.632 -3.182 569 H ASN 67 H ASN 67 -0.997 14.821 -0.904 570 HA ASN 67 HA ASN 67 -1.878 17.473 -1.575 571 HB2 ASN 67 HB2 ASN 67 -1.392 16.859 0.761 572 HB3 ASN 67 HB3 ASN 67 0.279 16.532 0.339 573 HD21 ASN 67 HD21 ASN 67 -2.090 18.993 0.931 574 HD22 ASN 67 HD22 ASN 67 -0.977 20.308 1.049 575 H LYS 68 H LYS 68 0.825 15.500 -2.261 576 HA LYS 68 HA LYS 68 2.826 17.237 -3.055 577 HB2 LYS 68 HB2 LYS 68 3.086 14.818 -2.846 578 HB3 LYS 68 HB3 LYS 68 2.070 14.592 -4.252 579 HG2 LYS 68 HG2 LYS 68 3.710 15.729 -5.636 580 HG3 LYS 68 HG3 LYS 68 4.731 15.980 -4.216 581 HD2 LYS 68 HD2 LYS 68 4.901 13.615 -3.888 582 HD3 LYS 68 HD3 LYS 68 3.848 13.313 -5.274 583 HE2 LYS 68 HE2 LYS 68 6.564 14.630 -5.327 584 HE3 LYS 68 HE3 LYS 68 6.185 13.007 -5.888 585 HZ1 LYS 68 HZ1 LYS 68 4.700 14.023 -7.574 586 HZ2 LYS 68 HZ2 LYS 68 6.298 14.524 -7.743 587 HZ3 LYS 68 HZ3 LYS 68 5.179 15.550 -7.052 Start of MODEL 20 1 H LYS 1 H LYS 1 -10.381 -22.816 -7.991 2 HA LYS 1 HA LYS 1 -7.675 -23.977 -7.998 3 HB2 LYS 1 HB2 LYS 1 -10.236 -24.935 -9.312 4 HB3 LYS 1 HB3 LYS 1 -8.644 -25.632 -9.526 5 HG2 LYS 1 HG2 LYS 1 -8.618 -26.317 -7.178 6 HG3 LYS 1 HG3 LYS 1 -10.203 -25.579 -6.943 7 HD2 LYS 1 HD2 LYS 1 -10.432 -27.994 -7.273 8 HD3 LYS 1 HD3 LYS 1 -11.163 -27.115 -8.616 9 HE2 LYS 1 HE2 LYS 1 -9.098 -27.502 -9.943 10 HE3 LYS 1 HE3 LYS 1 -8.449 -28.446 -8.605 11 HZ1 LYS 1 HZ1 LYS 1 -9.408 -29.840 -10.326 12 HZ2 LYS 1 HZ2 LYS 1 -10.887 -29.063 -10.167 13 HZ3 LYS 1 HZ3 LYS 1 -10.311 -30.012 -8.911 14 HA PRO 2 HA PRO 2 -7.377 -21.458 -11.713 15 HB2 PRO 2 HB2 PRO 2 -5.153 -23.163 -12.549 16 HB3 PRO 2 HB3 PRO 2 -5.109 -21.464 -12.076 17 HG2 PRO 2 HG2 PRO 2 -4.027 -23.433 -10.555 18 HG3 PRO 2 HG3 PRO 2 -4.710 -21.952 -9.867 19 HD2 PRO 2 HD2 PRO 2 -5.904 -24.686 -10.059 20 HD3 PRO 2 HD3 PRO 2 -5.952 -23.510 -8.723 21 H VAL 3 H VAL 3 -8.643 -21.820 -13.419 22 HA VAL 3 HA VAL 3 -8.480 -24.179 -15.023 23 HB VAL 3 HB VAL 3 -9.821 -25.128 -13.197 24 HG11 VAL 3 HG11 VAL 3 -12.084 -24.323 -12.674 25 HG12 VAL 3 HG12 VAL 3 -11.821 -22.941 -13.740 26 HG13 VAL 3 HG13 VAL 3 -10.841 -23.132 -12.288 27 HG21 VAL 3 HG21 VAL 3 -11.765 -25.927 -14.477 28 HG22 VAL 3 HG22 VAL 3 -10.282 -25.939 -15.434 29 HG23 VAL 3 HG23 VAL 3 -11.476 -24.666 -15.675 30 H SER 4 H SER 4 -10.266 -21.300 -14.184 31 HA SER 4 HA SER 4 -10.386 -20.530 -16.965 32 HB2 SER 4 HB2 SER 4 -12.799 -20.558 -15.114 33 HB3 SER 4 HB3 SER 4 -12.772 -19.948 -16.767 34 HG SER 4 HG SER 4 -11.870 -22.366 -16.942 35 H LEU 5 H LEU 5 -11.627 -18.088 -16.615 36 HA LEU 5 HA LEU 5 -9.875 -16.872 -14.736 37 HB2 LEU 5 HB2 LEU 5 -11.952 -15.674 -16.567 38 HB3 LEU 5 HB3 LEU 5 -11.096 -14.711 -15.386 39 HG LEU 5 HG LEU 5 -10.100 -14.363 -17.528 40 HD11 LEU 5 HD11 LEU 5 -8.299 -16.097 -15.874 41 HD12 LEU 5 HD12 LEU 5 -8.576 -14.365 -15.675 42 HD13 LEU 5 HD13 LEU 5 -7.792 -14.976 -17.131 43 HD21 LEU 5 HD21 LEU 5 -9.031 -16.166 -18.827 44 HD22 LEU 5 HD22 LEU 5 -10.776 -16.377 -18.705 45 HD23 LEU 5 HD23 LEU 5 -9.696 -17.353 -17.706 46 H SER 6 H SER 6 -10.509 -17.925 -12.940 47 HA SER 6 HA SER 6 -13.050 -17.264 -11.804 48 HB2 SER 6 HB2 SER 6 -12.197 -18.709 -9.909 49 HB3 SER 6 HB3 SER 6 -12.298 -19.528 -11.466 50 HG SER 6 HG SER 6 -10.344 -19.824 -10.187 51 H TYR 7 H TYR 7 -13.151 -16.182 -9.747 52 HA TYR 7 HA TYR 7 -11.366 -13.993 -9.823 53 HB2 TYR 7 HB2 TYR 7 -13.799 -14.505 -8.156 54 HB3 TYR 7 HB3 TYR 7 -12.762 -13.100 -7.903 55 HD1 TYR 7 HD1 TYR 7 -12.485 -11.438 -9.684 56 HD2 TYR 7 HD2 TYR 7 -15.298 -14.603 -10.040 57 HE1 TYR 7 HE1 TYR 7 -13.589 -10.237 -11.505 58 HE2 TYR 7 HE2 TYR 7 -16.417 -13.401 -11.873 59 HH TYR 7 HH TYR 7 -14.982 -10.715 -13.394 60 H ARG 8 H ARG 8 -9.776 -13.464 -8.704 61 HA ARG 8 HA ARG 8 -9.290 -14.581 -6.116 62 HB2 ARG 8 HB2 ARG 8 -6.907 -14.977 -6.632 63 HB3 ARG 8 HB3 ARG 8 -7.932 -16.066 -7.545 64 HG2 ARG 8 HG2 ARG 8 -7.503 -14.939 -9.564 65 HG3 ARG 8 HG3 ARG 8 -6.880 -13.515 -8.728 66 HD2 ARG 8 HD2 ARG 8 -5.568 -16.234 -8.654 67 HD3 ARG 8 HD3 ARG 8 -5.095 -14.936 -9.755 68 HE ARG 8 HE ARG 8 -5.064 -13.837 -7.224 69 HH11 ARG 8 HH11 ARG 8 -3.310 -16.450 -8.811 70 HH12 ARG 8 HH12 ARG 8 -1.887 -16.228 -7.912 71 HH21 ARG 8 HH21 ARG 8 -3.130 -13.521 -6.009 72 HH22 ARG 8 HH22 ARG 8 -1.775 -14.522 -6.281 73 H CYS 9 H CYS 9 -7.154 -13.345 -5.410 74 HA CYS 9 HA CYS 9 -7.460 -10.611 -6.376 75 HB2 CYS 9 HB2 CYS 9 -6.753 -11.550 -3.587 76 HB3 CYS 9 HB3 CYS 9 -6.928 -9.878 -4.105 77 HA PRO 10 HA PRO 10 -3.127 -10.842 -7.600 78 HB2 PRO 10 HB2 PRO 10 -3.133 -8.037 -6.468 79 HB3 PRO 10 HB3 PRO 10 -2.496 -8.626 -8.010 80 HG2 PRO 10 HG2 PRO 10 -4.780 -7.333 -7.952 81 HG3 PRO 10 HG3 PRO 10 -4.601 -8.780 -8.968 82 HD2 PRO 10 HD2 PRO 10 -6.016 -8.464 -6.349 83 HD3 PRO 10 HD3 PRO 10 -6.458 -9.431 -7.773 84 H CYS 11 H CYS 11 -3.928 -9.222 -4.559 85 HA CYS 11 HA CYS 11 -2.150 -11.057 -3.210 86 HB2 CYS 11 HB2 CYS 11 -0.953 -8.809 -3.435 87 HB3 CYS 11 HB3 CYS 11 -2.267 -8.107 -2.492 88 H ARG 12 H ARG 12 -3.173 -11.900 -1.475 89 HA ARG 12 HA ARG 12 -5.859 -10.849 -0.990 90 HB2 ARG 12 HB2 ARG 12 -5.605 -13.227 -1.674 91 HB3 ARG 12 HB3 ARG 12 -4.713 -13.529 -0.193 92 HG2 ARG 12 HG2 ARG 12 -7.024 -14.280 -0.014 93 HG3 ARG 12 HG3 ARG 12 -6.693 -12.969 1.125 94 HD2 ARG 12 HD2 ARG 12 -7.744 -11.371 -0.349 95 HD3 ARG 12 HD3 ARG 12 -7.985 -12.610 -1.581 96 HE ARG 12 HE ARG 12 -9.281 -13.607 0.529 97 HH11 ARG 12 HH11 ARG 12 -9.372 -10.386 -0.946 98 HH12 ARG 12 HH12 ARG 12 -11.023 -10.124 -0.673 99 HH21 ARG 12 HH21 ARG 12 -11.566 -13.267 0.915 100 HH22 ARG 12 HH22 ARG 12 -12.337 -11.844 0.422 101 H PHE 13 H PHE 13 -2.839 -11.540 0.614 102 HA PHE 13 HA PHE 13 -3.986 -10.837 3.202 103 HB2 PHE 13 HB2 PHE 13 -1.925 -11.728 4.176 104 HB3 PHE 13 HB3 PHE 13 -2.638 -12.914 3.093 105 HD1 PHE 13 HD1 PHE 13 -1.588 -13.277 0.829 106 HD2 PHE 13 HD2 PHE 13 0.264 -10.892 3.838 107 HE1 PHE 13 HE1 PHE 13 0.563 -13.462 -0.344 108 HE2 PHE 13 HE2 PHE 13 2.414 -11.074 2.659 109 HZ PHE 13 HZ PHE 13 2.566 -12.356 0.564 110 H PHE 14 H PHE 14 -3.408 -8.999 4.242 111 HA PHE 14 HA PHE 14 -1.219 -7.355 3.088 112 HB2 PHE 14 HB2 PHE 14 -3.739 -6.322 4.305 113 HB3 PHE 14 HB3 PHE 14 -2.485 -5.347 3.556 114 HD1 PHE 14 HD1 PHE 14 -2.150 -6.369 0.940 115 HD2 PHE 14 HD2 PHE 14 -5.707 -6.242 3.240 116 HE1 PHE 14 HE1 PHE 14 -3.443 -6.401 -1.092 117 HE2 PHE 14 HE2 PHE 14 -7.029 -6.275 1.214 118 HZ PHE 14 HZ PHE 14 -5.921 -6.357 -0.992 119 H GLU 15 H GLU 15 -0.005 -6.360 4.578 120 HA GLU 15 HA GLU 15 -0.071 -7.448 7.198 121 HB2 GLU 15 HB2 GLU 15 1.622 -5.306 5.948 122 HB3 GLU 15 HB3 GLU 15 1.878 -5.983 7.550 123 HG2 GLU 15 HG2 GLU 15 1.887 -7.530 5.017 124 HG3 GLU 15 HG3 GLU 15 3.355 -6.905 5.799 125 H SER 16 H SER 16 -1.011 -6.537 8.863 126 HA SER 16 HA SER 16 -2.186 -3.878 8.525 127 HB2 SER 16 HB2 SER 16 -3.585 -4.437 10.513 128 HB3 SER 16 HB3 SER 16 -3.796 -5.578 9.190 129 HG SER 16 HG SER 16 -2.778 -7.088 10.279 130 H HIS 17 H HIS 17 0.521 -5.179 9.669 131 HA HIS 17 HA HIS 17 1.000 -2.809 11.292 132 HB2 HIS 17 HB2 HIS 17 1.800 -5.621 12.101 133 HB3 HIS 17 HB3 HIS 17 2.433 -4.165 12.851 134 HD1 HIS 17 HD1 HIS 17 0.896 -2.935 14.542 135 HD2 HIS 17 HD2 HIS 17 -0.863 -6.260 12.763 136 HE1 HIS 17 HE1 HIS 17 -1.182 -3.395 15.860 137 HE2 HIS 17 HE2 HIS 17 -2.339 -5.230 14.593 138 H VAL 18 H VAL 18 2.378 -1.721 10.071 139 HA VAL 18 HA VAL 18 4.732 -3.124 9.087 140 HB VAL 18 HB VAL 18 3.212 -1.113 7.402 141 HG11 VAL 18 HG11 VAL 18 4.637 -1.902 5.553 142 HG12 VAL 18 HG12 VAL 18 5.486 -2.949 6.693 143 HG13 VAL 18 HG13 VAL 18 5.563 -1.198 6.882 144 HG21 VAL 18 HG21 VAL 18 1.846 -3.115 7.571 145 HG22 VAL 18 HG22 VAL 18 3.215 -4.107 7.077 146 HG23 VAL 18 HG23 VAL 18 2.507 -2.957 5.945 147 H ALA 19 H ALA 19 6.588 -1.544 8.747 148 HA ALA 19 HA ALA 19 6.168 0.920 10.232 149 HB1 ALA 19 HB1 ALA 19 8.604 0.783 10.676 150 HB2 ALA 19 HB2 ALA 19 8.645 -0.724 9.759 151 HB3 ALA 19 HB3 ALA 19 7.747 -0.645 11.278 152 H ARG 20 H ARG 20 6.671 2.797 9.211 153 HA ARG 20 HA ARG 20 6.967 2.938 6.409 154 HB2 ARG 20 HB2 ARG 20 6.006 4.790 7.670 155 HB3 ARG 20 HB3 ARG 20 7.496 5.018 8.554 156 HG2 ARG 20 HG2 ARG 20 7.149 6.762 6.861 157 HG3 ARG 20 HG3 ARG 20 8.598 5.822 6.518 158 HD2 ARG 20 HD2 ARG 20 7.405 4.555 4.827 159 HD3 ARG 20 HD3 ARG 20 5.906 5.388 5.237 160 HE ARG 20 HE ARG 20 7.389 7.444 4.570 161 HH11 ARG 20 HH11 ARG 20 7.221 4.317 2.907 162 HH12 ARG 20 HH12 ARG 20 7.408 4.994 1.338 163 HH21 ARG 20 HH21 ARG 20 7.637 8.343 2.397 164 HH22 ARG 20 HH22 ARG 20 7.675 7.306 1.058 165 H ALA 21 H ALA 21 9.242 2.566 8.941 166 HA ALA 21 HA ALA 21 11.520 3.417 7.427 167 HB1 ALA 21 HB1 ALA 21 11.423 3.737 9.845 168 HB2 ALA 21 HB2 ALA 21 12.812 2.764 9.371 169 HB3 ALA 21 HB3 ALA 21 11.394 1.987 10.069 170 H ASN 22 H ASN 22 9.760 0.345 7.593 171 HA ASN 22 HA ASN 22 12.199 -1.029 6.894 172 HB2 ASN 22 HB2 ASN 22 11.045 -3.074 7.318 173 HB3 ASN 22 HB3 ASN 22 10.678 -2.023 8.662 174 HD21 ASN 22 HD21 ASN 22 9.588 -3.559 5.928 175 HD22 ASN 22 HD22 ASN 22 7.882 -3.533 6.167 176 H VAL 23 H VAL 23 9.782 0.567 5.317 177 HA VAL 23 HA VAL 23 9.692 -1.315 3.062 178 HB VAL 23 HB VAL 23 7.898 1.043 3.683 179 HG11 VAL 23 HG11 VAL 23 6.543 0.244 1.787 180 HG12 VAL 23 HG12 VAL 23 7.835 -0.909 1.391 181 HG13 VAL 23 HG13 VAL 23 8.137 0.817 1.299 182 HG21 VAL 23 HG21 VAL 23 6.180 -0.661 4.013 183 HG22 VAL 23 HG22 VAL 23 7.529 -0.880 5.128 184 HG23 VAL 23 HG23 VAL 23 7.372 -1.926 3.716 185 H LYS 24 H LYS 24 10.633 -0.883 1.201 186 HA LYS 24 HA LYS 24 12.041 1.698 0.831 187 HB2 LYS 24 HB2 LYS 24 13.150 0.707 -0.998 188 HB3 LYS 24 HB3 LYS 24 13.339 -0.336 0.385 189 HG2 LYS 24 HG2 LYS 24 11.878 -1.970 -0.467 190 HG3 LYS 24 HG3 LYS 24 11.194 -0.857 -1.648 191 HD2 LYS 24 HD2 LYS 24 14.006 -1.961 -1.676 192 HD3 LYS 24 HD3 LYS 24 12.653 -2.477 -2.701 193 HE2 LYS 24 HE2 LYS 24 12.457 -0.214 -3.584 194 HE3 LYS 24 HE3 LYS 24 13.769 0.330 -2.667 195 HZ1 LYS 24 HZ1 LYS 24 14.619 -0.147 -4.820 196 HZ2 LYS 24 HZ2 LYS 24 14.046 -1.745 -4.791 197 HZ3 LYS 24 HZ3 LYS 24 15.256 -1.245 -3.743 198 H HIS 25 H HIS 25 9.467 -0.144 -0.592 199 HA HIS 25 HA HIS 25 8.944 2.054 -2.427 200 HB2 HIS 25 HB2 HIS 25 10.557 0.848 -3.643 201 HB3 HIS 25 HB3 HIS 25 9.853 -0.691 -3.207 202 HD1 HIS 25 HD1 HIS 25 8.063 2.242 -4.916 203 HD2 HIS 25 HD2 HIS 25 9.329 -1.625 -5.545 204 HE1 HIS 25 HE1 HIS 25 7.095 1.609 -7.128 205 HE2 HIS 25 HE2 HIS 25 8.099 -0.615 -7.630 206 H LEU 26 H LEU 26 6.882 2.424 -2.492 207 HA LEU 26 HA LEU 26 4.958 0.310 -1.841 208 HB2 LEU 26 HB2 LEU 26 4.732 3.314 -1.863 209 HB3 LEU 26 HB3 LEU 26 3.408 2.230 -1.495 210 HG LEU 26 HG LEU 26 5.938 2.450 0.154 211 HD11 LEU 26 HD11 LEU 26 4.544 3.622 1.771 212 HD12 LEU 26 HD12 LEU 26 3.183 3.571 0.651 213 HD13 LEU 26 HD13 LEU 26 4.619 4.512 0.253 214 HD21 LEU 26 HD21 LEU 26 4.862 0.302 0.297 215 HD22 LEU 26 HD22 LEU 26 3.310 1.072 0.636 216 HD23 LEU 26 HD23 LEU 26 4.637 1.207 1.793 217 H LYS 27 H LYS 27 3.694 -0.403 -3.407 218 HA LYS 27 HA LYS 27 3.219 1.234 -5.795 219 HB2 LYS 27 HB2 LYS 27 5.105 -0.614 -5.959 220 HB3 LYS 27 HB3 LYS 27 3.806 -1.737 -5.943 221 HG2 LYS 27 HG2 LYS 27 4.106 0.444 -8.005 222 HG3 LYS 27 HG3 LYS 27 4.692 -1.194 -8.195 223 HD2 LYS 27 HD2 LYS 27 1.802 -0.430 -7.770 224 HD3 LYS 27 HD3 LYS 27 2.528 -0.774 -9.346 225 HE2 LYS 27 HE2 LYS 27 3.138 -3.026 -8.490 226 HE3 LYS 27 HE3 LYS 27 2.256 -2.652 -7.015 227 HZ1 LYS 27 HZ1 LYS 27 0.861 -3.916 -8.556 228 HZ2 LYS 27 HZ2 LYS 27 1.108 -2.771 -9.747 229 HZ3 LYS 27 HZ3 LYS 27 0.224 -2.353 -8.398 230 H ILE 28 H ILE 28 1.104 1.546 -5.487 231 HA ILE 28 HA ILE 28 -0.453 -0.528 -4.158 232 HB ILE 28 HB ILE 28 -1.365 2.312 -4.765 233 HG12 ILE 28 HG12 ILE 28 -0.175 1.086 -2.291 234 HG13 ILE 28 HG13 ILE 28 0.621 2.281 -3.307 235 HG21 ILE 28 HG21 ILE 28 -3.159 0.641 -4.352 236 HG22 ILE 28 HG22 ILE 28 -3.034 1.805 -3.025 237 HG23 ILE 28 HG23 ILE 28 -2.356 0.190 -2.849 238 HD11 ILE 28 HD11 ILE 28 -0.251 3.267 -1.255 239 HD12 ILE 28 HD12 ILE 28 -1.858 2.697 -1.638 240 HD13 ILE 28 HD13 ILE 28 -1.109 3.927 -2.662 241 H LEU 29 H LEU 29 -1.979 -1.694 -5.066 242 HA LEU 29 HA LEU 29 -2.649 -1.373 -7.917 243 HB2 LEU 29 HB2 LEU 29 -1.239 -3.378 -7.325 244 HB3 LEU 29 HB3 LEU 29 -2.516 -3.842 -6.216 245 HG LEU 29 HG LEU 29 -4.035 -4.304 -7.966 246 HD11 LEU 29 HD11 LEU 29 -3.442 -2.537 -9.547 247 HD12 LEU 29 HD12 LEU 29 -3.378 -4.107 -10.343 248 HD13 LEU 29 HD13 LEU 29 -1.885 -3.306 -9.849 249 HD21 LEU 29 HD21 LEU 29 -1.318 -5.425 -8.564 250 HD22 LEU 29 HD22 LEU 29 -2.863 -6.118 -9.062 251 HD23 LEU 29 HD23 LEU 29 -2.456 -6.015 -7.351 252 H ASN 30 H ASN 30 -4.841 -1.426 -8.405 253 HA ASN 30 HA ASN 30 -6.612 -1.928 -6.126 254 HB2 ASN 30 HB2 ASN 30 -8.270 -0.443 -7.205 255 HB3 ASN 30 HB3 ASN 30 -6.768 0.397 -6.845 256 HD21 ASN 30 HD21 ASN 30 -8.866 -0.783 -9.334 257 HD22 ASN 30 HD22 ASN 30 -8.073 0.020 -10.639 258 H THR 31 H THR 31 -8.069 -3.544 -6.276 259 HA THR 31 HA THR 31 -8.399 -4.761 -8.915 260 HB THR 31 HB THR 31 -9.165 -5.878 -6.233 261 HG1 THR 31 HG1 THR 31 -6.727 -5.471 -7.096 262 HG21 THR 31 HG21 THR 31 -9.136 -8.051 -7.410 263 HG22 THR 31 HG22 THR 31 -8.726 -7.216 -8.906 264 HG23 THR 31 HG23 THR 31 -10.283 -6.926 -8.135 265 HA PRO 32 HA PRO 32 -12.493 -2.792 -9.020 266 HB2 PRO 32 HB2 PRO 32 -13.183 -5.163 -10.626 267 HB3 PRO 32 HB3 PRO 32 -13.330 -3.457 -11.027 268 HG2 PRO 32 HG2 PRO 32 -11.442 -4.949 -12.131 269 HG3 PRO 32 HG3 PRO 32 -11.084 -3.289 -11.622 270 HD2 PRO 32 HD2 PRO 32 -10.357 -5.874 -10.258 271 HD3 PRO 32 HD3 PRO 32 -9.435 -4.364 -10.473 272 H ASN 33 H ASN 33 -12.047 -5.144 -6.915 273 HA ASN 33 HA ASN 33 -14.660 -5.491 -6.079 274 HB2 ASN 33 HB2 ASN 33 -15.058 -7.923 -6.670 275 HB3 ASN 33 HB3 ASN 33 -15.248 -6.752 -7.969 276 HD21 ASN 33 HD21 ASN 33 -14.909 -8.184 -9.583 277 HD22 ASN 33 HD22 ASN 33 -13.377 -8.891 -9.941 278 H CYS 34 H CYS 34 -11.495 -6.944 -6.116 279 HA CYS 34 HA CYS 34 -11.866 -8.227 -3.603 280 HB2 CYS 34 HB2 CYS 34 -9.371 -7.445 -5.072 281 HB3 CYS 34 HB3 CYS 34 -9.287 -8.190 -3.496 282 H ALA 35 H ALA 35 -9.691 -5.516 -4.228 283 HA ALA 35 HA ALA 35 -10.612 -3.726 -2.357 284 HB1 ALA 35 HB1 ALA 35 -8.483 -5.595 -1.315 285 HB2 ALA 35 HB2 ALA 35 -10.137 -5.472 -0.716 286 HB3 ALA 35 HB3 ALA 35 -9.021 -4.108 -0.509 287 H LEU 36 H LEU 36 -8.254 -2.549 -1.490 288 HA LEU 36 HA LEU 36 -6.856 -2.026 -3.910 289 HB2 LEU 36 HB2 LEU 36 -8.017 -0.244 -2.738 290 HB3 LEU 36 HB3 LEU 36 -7.219 -0.676 -1.242 291 HG LEU 36 HG LEU 36 -5.165 -0.206 -2.237 292 HD11 LEU 36 HD11 LEU 36 -6.867 0.952 -4.485 293 HD12 LEU 36 HD12 LEU 36 -5.668 -0.334 -4.636 294 HD13 LEU 36 HD13 LEU 36 -5.155 1.323 -4.318 295 HD21 LEU 36 HD21 LEU 36 -5.342 2.289 -2.090 296 HD22 LEU 36 HD22 LEU 36 -6.149 1.416 -0.791 297 HD23 LEU 36 HD23 LEU 36 -7.095 2.104 -2.109 298 H GLN 37 H GLN 37 -4.896 -3.115 -4.015 299 HA GLN 37 HA GLN 37 -3.746 -4.205 -1.550 300 HB2 GLN 37 HB2 GLN 37 -2.832 -4.639 -4.405 301 HB3 GLN 37 HB3 GLN 37 -2.199 -5.431 -2.984 302 HG2 GLN 37 HG2 GLN 37 -3.533 -6.995 -4.089 303 HG3 GLN 37 HG3 GLN 37 -4.494 -6.465 -2.720 304 HE21 GLN 37 HE21 GLN 37 -6.286 -7.026 -3.601 305 HE22 GLN 37 HE22 GLN 37 -7.032 -6.225 -4.972 306 H ILE 38 H ILE 38 -2.159 -3.104 -0.634 307 HA ILE 38 HA ILE 38 -0.626 -1.280 -2.314 308 HB ILE 38 HB ILE 38 -0.728 -1.722 0.645 309 HG12 ILE 38 HG12 ILE 38 -1.715 0.617 -0.967 310 HG13 ILE 38 HG13 ILE 38 -2.726 -0.661 -0.291 311 HG21 ILE 38 HG21 ILE 38 1.512 -0.981 0.043 312 HG22 ILE 38 HG22 ILE 38 0.680 0.352 0.827 313 HG23 ILE 38 HG23 ILE 38 0.885 0.336 -0.926 314 HD11 ILE 38 HD11 ILE 38 -2.104 0.023 1.932 315 HD12 ILE 38 HD12 ILE 38 -2.750 1.392 0.974 316 HD13 ILE 38 HD13 ILE 38 -1.011 1.237 1.235 317 H VAL 39 H VAL 39 1.241 -2.112 -3.104 318 HA VAL 39 HA VAL 39 2.262 -4.478 -1.737 319 HB VAL 39 HB VAL 39 2.712 -3.495 -4.571 320 HG11 VAL 39 HG11 VAL 39 4.666 -4.610 -3.784 321 HG12 VAL 39 HG12 VAL 39 3.831 -5.645 -4.937 322 HG13 VAL 39 HG13 VAL 39 3.714 -5.984 -3.206 323 HG21 VAL 39 HG21 VAL 39 1.443 -5.487 -5.246 324 HG22 VAL 39 HG22 VAL 39 0.477 -4.381 -4.270 325 HG23 VAL 39 HG23 VAL 39 1.131 -5.853 -3.548 326 H ALA 40 H ALA 40 4.120 -4.398 -0.764 327 HA ALA 40 HA ALA 40 5.810 -2.082 -1.273 328 HB1 ALA 40 HB1 ALA 40 6.069 -1.746 1.079 329 HB2 ALA 40 HB2 ALA 40 4.958 -3.075 1.407 330 HB3 ALA 40 HB3 ALA 40 4.376 -1.624 0.602 331 H ARG 41 H ARG 41 7.833 -2.619 -1.421 332 HA ARG 41 HA ARG 41 8.610 -5.171 -0.364 333 HB2 ARG 41 HB2 ARG 41 9.525 -3.642 -2.668 334 HB3 ARG 41 HB3 ARG 41 10.788 -4.496 -1.786 335 HG2 ARG 41 HG2 ARG 41 9.692 -6.522 -1.977 336 HG3 ARG 41 HG3 ARG 41 8.228 -5.840 -2.616 337 HD2 ARG 41 HD2 ARG 41 10.939 -5.961 -3.877 338 HD3 ARG 41 HD3 ARG 41 9.478 -6.936 -4.241 339 HE ARG 41 HE ARG 41 8.659 -4.392 -4.619 340 HH11 ARG 41 HH11 ARG 41 11.375 -6.234 -5.986 341 HH12 ARG 41 HH12 ARG 41 11.240 -5.548 -7.536 342 HH21 ARG 41 HH21 ARG 41 8.491 -3.447 -6.835 343 HH22 ARG 41 HH22 ARG 41 9.598 -3.953 -8.013 344 H LEU 42 H LEU 42 10.202 -5.505 0.864 345 HA LEU 42 HA LEU 42 10.670 -3.453 2.814 346 HB2 LEU 42 HB2 LEU 42 12.072 -6.101 2.682 347 HB3 LEU 42 HB3 LEU 42 11.749 -5.120 4.045 348 HG LEU 42 HG LEU 42 9.547 -6.503 2.529 349 HD11 LEU 42 HD11 LEU 42 10.734 -7.097 5.207 350 HD12 LEU 42 HD12 LEU 42 10.876 -8.089 3.759 351 HD13 LEU 42 HD13 LEU 42 9.300 -7.863 4.522 352 HD21 LEU 42 HD21 LEU 42 9.467 -4.938 5.076 353 HD22 LEU 42 HD22 LEU 42 8.112 -5.749 4.290 354 HD23 LEU 42 HD23 LEU 42 8.885 -4.373 3.504 355 H LYS 43 H LYS 43 12.694 -2.629 3.399 356 HA LYS 43 HA LYS 43 14.306 -1.945 1.149 357 HB2 LYS 43 HB2 LYS 43 14.914 -1.506 4.075 358 HB3 LYS 43 HB3 LYS 43 15.713 -0.740 2.715 359 HG2 LYS 43 HG2 LYS 43 13.611 0.393 2.136 360 HG3 LYS 43 HG3 LYS 43 12.826 -0.379 3.511 361 HD2 LYS 43 HD2 LYS 43 13.464 1.905 4.040 362 HD3 LYS 43 HD3 LYS 43 14.403 0.766 5.012 363 HE2 LYS 43 HE2 LYS 43 16.301 1.020 3.511 364 HE3 LYS 43 HE3 LYS 43 15.350 2.080 2.471 365 HZ1 LYS 43 HZ1 LYS 43 15.230 3.664 4.274 366 HZ2 LYS 43 HZ2 LYS 43 16.838 3.320 3.938 367 HZ3 LYS 43 HZ3 LYS 43 16.071 2.659 5.292 368 H ASN 44 H ASN 44 15.143 -3.606 4.141 369 HA ASN 44 HA ASN 44 17.695 -4.385 3.025 370 HB2 ASN 44 HB2 ASN 44 17.561 -3.585 5.357 371 HB3 ASN 44 HB3 ASN 44 16.541 -4.960 5.756 372 HD21 ASN 44 HD21 ASN 44 19.742 -3.915 4.943 373 HD22 ASN 44 HD22 ASN 44 20.564 -5.341 5.437 374 H ASN 45 H ASN 45 14.703 -5.903 3.912 375 HA ASN 45 HA ASN 45 15.799 -8.543 3.444 376 HB2 ASN 45 HB2 ASN 45 14.202 -8.128 5.312 377 HB3 ASN 45 HB3 ASN 45 12.960 -7.731 4.140 378 HD21 ASN 45 HD21 ASN 45 11.702 -9.362 5.133 379 HD22 ASN 45 HD22 ASN 45 11.940 -11.014 4.804 380 H ASN 46 H ASN 46 14.098 -6.125 1.676 381 HA ASN 46 HA ASN 46 13.504 -5.902 -0.554 382 HB2 ASN 46 HB2 ASN 46 15.754 -6.908 -0.928 383 HB3 ASN 46 HB3 ASN 46 15.022 -8.504 -0.911 384 HD21 ASN 46 HD21 ASN 46 15.429 -5.573 -2.629 385 HD22 ASN 46 HD22 ASN 46 14.865 -6.103 -4.171 386 H ARG 47 H ARG 47 12.279 -8.402 1.302 387 HA ARG 47 HA ARG 47 10.800 -9.635 -0.726 388 HB2 ARG 47 HB2 ARG 47 10.548 -9.692 2.246 389 HB3 ARG 47 HB3 ARG 47 9.661 -10.723 1.125 390 HG2 ARG 47 HG2 ARG 47 11.838 -11.579 0.258 391 HG3 ARG 47 HG3 ARG 47 12.631 -10.572 1.477 392 HD2 ARG 47 HD2 ARG 47 11.682 -11.762 3.227 393 HD3 ARG 47 HD3 ARG 47 10.607 -12.614 2.103 394 HE ARG 47 HE ARG 47 13.043 -13.298 1.218 395 HH11 ARG 47 HH11 ARG 47 11.679 -13.432 4.477 396 HH12 ARG 47 HH12 ARG 47 12.619 -14.773 4.961 397 HH21 ARG 47 HH21 ARG 47 14.334 -15.158 1.908 398 HH22 ARG 47 HH22 ARG 47 14.147 -15.739 3.499 399 H GLN 48 H GLN 48 8.675 -9.727 -1.052 400 HA GLN 48 HA GLN 48 7.581 -7.053 -1.048 401 HB2 GLN 48 HB2 GLN 48 8.035 -8.333 -3.128 402 HB3 GLN 48 HB3 GLN 48 6.867 -9.527 -2.611 403 HG2 GLN 48 HG2 GLN 48 5.176 -7.737 -2.581 404 HG3 GLN 48 HG3 GLN 48 6.397 -6.669 -3.235 405 HE21 GLN 48 HE21 GLN 48 4.389 -9.412 -3.935 406 HE22 GLN 48 HE22 GLN 48 4.612 -9.413 -5.637 407 H VAL 49 H VAL 49 6.037 -6.635 0.409 408 HA VAL 49 HA VAL 49 4.199 -8.798 1.140 409 HB VAL 49 HB VAL 49 3.877 -7.804 3.351 410 HG11 VAL 49 HG11 VAL 49 6.039 -8.266 4.399 411 HG12 VAL 49 HG12 VAL 49 6.793 -8.279 2.804 412 HG13 VAL 49 HG13 VAL 49 5.576 -9.485 3.214 413 HG21 VAL 49 HG21 VAL 49 4.275 -5.465 2.833 414 HG22 VAL 49 HG22 VAL 49 5.998 -5.778 2.594 415 HG23 VAL 49 HG23 VAL 49 5.264 -5.971 4.196 416 H CYS 50 H CYS 50 2.095 -7.731 1.995 417 HA CYS 50 HA CYS 50 1.565 -5.478 0.230 418 HB2 CYS 50 HB2 CYS 50 -0.523 -7.474 1.148 419 HB3 CYS 50 HB3 CYS 50 -0.594 -6.222 -0.073 420 H ILE 51 H ILE 51 0.188 -3.892 1.028 421 HA ILE 51 HA ILE 51 0.168 -3.785 3.947 422 HB ILE 51 HB ILE 51 0.663 -1.506 2.022 423 HG12 ILE 51 HG12 ILE 51 2.437 -3.194 3.724 424 HG13 ILE 51 HG13 ILE 51 2.529 -2.863 2.031 425 HG21 ILE 51 HG21 ILE 51 -0.515 -0.774 4.041 426 HG22 ILE 51 HG22 ILE 51 1.154 -0.190 4.015 427 HG23 ILE 51 HG23 ILE 51 0.717 -1.567 5.018 428 HD11 ILE 51 HD11 ILE 51 3.159 -0.568 2.374 429 HD12 ILE 51 HD12 ILE 51 4.276 -1.633 3.227 430 HD13 ILE 51 HD13 ILE 51 3.022 -0.763 4.119 431 H ASP 52 H ASP 52 -1.538 -2.956 4.942 432 HA ASP 52 HA ASP 52 -4.004 -2.849 3.487 433 HB2 ASP 52 HB2 ASP 52 -3.830 -3.960 5.480 434 HB3 ASP 52 HB3 ASP 52 -3.306 -2.543 6.399 435 HA PRO 53 HA PRO 53 -3.881 1.467 2.695 436 HB2 PRO 53 HB2 PRO 53 -6.550 1.917 2.357 437 HB3 PRO 53 HB3 PRO 53 -5.493 1.160 1.156 438 HG2 PRO 53 HG2 PRO 53 -7.336 -0.144 3.127 439 HG3 PRO 53 HG3 PRO 53 -7.085 -0.524 1.414 440 HD2 PRO 53 HD2 PRO 53 -5.965 -1.968 3.364 441 HD3 PRO 53 HD3 PRO 53 -5.118 -1.662 1.832 442 H LYS 54 H LYS 54 -5.792 0.376 5.481 443 HA LYS 54 HA LYS 54 -6.206 3.166 6.081 444 HB2 LYS 54 HB2 LYS 54 -7.688 2.504 7.887 445 HB3 LYS 54 HB3 LYS 54 -8.182 1.959 6.299 446 HG2 LYS 54 HG2 LYS 54 -7.273 -0.274 6.869 447 HG3 LYS 54 HG3 LYS 54 -6.983 0.339 8.508 448 HD2 LYS 54 HD2 LYS 54 -9.531 0.516 7.089 449 HD3 LYS 54 HD3 LYS 54 -9.185 -0.867 8.171 450 HE2 LYS 54 HE2 LYS 54 -8.901 0.816 10.013 451 HE3 LYS 54 HE3 LYS 54 -9.354 2.093 8.885 452 HZ1 LYS 54 HZ1 LYS 54 -11.069 -0.177 9.706 453 HZ2 LYS 54 HZ2 LYS 54 -11.502 1.061 8.632 454 HZ3 LYS 54 HZ3 LYS 54 -11.192 1.410 10.259 455 H LEU 55 H LEU 55 -3.659 1.456 6.509 456 HA LEU 55 HA LEU 55 -2.997 1.750 9.226 457 HB2 LEU 55 HB2 LEU 55 -1.402 1.695 6.714 458 HB3 LEU 55 HB3 LEU 55 -0.591 1.846 8.234 459 HG LEU 55 HG LEU 55 -2.276 -0.496 7.279 460 HD11 LEU 55 HD11 LEU 55 0.650 -0.263 7.917 461 HD12 LEU 55 HD12 LEU 55 -0.050 -0.276 6.294 462 HD13 LEU 55 HD13 LEU 55 -0.197 -1.699 7.329 463 HD21 LEU 55 HD21 LEU 55 -2.543 -0.173 9.688 464 HD22 LEU 55 HD22 LEU 55 -0.775 -0.137 9.842 465 HD23 LEU 55 HD23 LEU 55 -1.576 -1.600 9.310 466 H LYS 56 H LYS 56 -2.082 3.401 10.311 467 HA LYS 56 HA LYS 56 -2.861 5.989 9.516 468 HB2 LYS 56 HB2 LYS 56 -1.148 5.109 11.827 469 HB3 LYS 56 HB3 LYS 56 -1.569 6.791 11.537 470 HG2 LYS 56 HG2 LYS 56 -3.904 6.298 11.731 471 HG3 LYS 56 HG3 LYS 56 -3.553 4.576 11.884 472 HD2 LYS 56 HD2 LYS 56 -2.438 4.946 13.982 473 HD3 LYS 56 HD3 LYS 56 -2.607 6.695 13.804 474 HE2 LYS 56 HE2 LYS 56 -4.283 5.681 15.334 475 HE3 LYS 56 HE3 LYS 56 -4.987 6.546 13.973 476 HZ1 LYS 56 HZ1 LYS 56 -4.637 3.599 14.125 477 HZ2 LYS 56 HZ2 LYS 56 -5.368 4.434 12.870 478 HZ3 LYS 56 HZ3 LYS 56 -6.080 4.417 14.390 479 H TRP 57 H TRP 57 0.353 4.508 9.517 480 HA TRP 57 HA TRP 57 1.512 6.935 8.630 481 HB2 TRP 57 HB2 TRP 57 3.572 5.713 8.181 482 HB3 TRP 57 HB3 TRP 57 2.923 5.199 9.723 483 HD1 TRP 57 HD1 TRP 57 2.035 2.658 9.857 484 HE1 TRP 57 HE1 TRP 57 2.539 0.629 8.405 485 HE3 TRP 57 HE3 TRP 57 3.987 5.062 5.841 486 HZ2 TRP 57 HZ2 TRP 57 3.632 0.110 5.846 487 HZ3 TRP 57 HZ3 TRP 57 4.744 3.758 3.928 488 HH2 TRP 57 HH2 TRP 57 4.564 1.313 3.918 489 H ILE 58 H ILE 58 -0.206 4.460 7.084 490 HA ILE 58 HA ILE 58 0.627 5.096 4.420 491 HB ILE 58 HB ILE 58 -1.610 3.379 5.517 492 HG12 ILE 58 HG12 ILE 58 0.655 2.455 5.647 493 HG13 ILE 58 HG13 ILE 58 -0.340 1.530 4.544 494 HG21 ILE 58 HG21 ILE 58 -2.105 2.659 3.291 495 HG22 ILE 58 HG22 ILE 58 -0.933 3.825 2.650 496 HG23 ILE 58 HG23 ILE 58 -2.403 4.404 3.476 497 HD11 ILE 58 HD11 ILE 58 1.863 1.827 3.616 498 HD12 ILE 58 HD12 ILE 58 1.712 3.578 3.723 499 HD13 ILE 58 HD13 ILE 58 0.671 2.667 2.633 500 H GLN 59 H GLN 59 -2.099 5.884 6.495 501 HA GLN 59 HA GLN 59 -3.528 7.371 4.611 502 HB2 GLN 59 HB2 GLN 59 -3.450 7.578 7.614 503 HB3 GLN 59 HB3 GLN 59 -4.535 8.546 6.622 504 HG2 GLN 59 HG2 GLN 59 -4.474 5.533 6.675 505 HG3 GLN 59 HG3 GLN 59 -5.620 6.540 7.560 506 HE21 GLN 59 HE21 GLN 59 -4.693 5.335 4.434 507 HE22 GLN 59 HE22 GLN 59 -6.092 5.872 3.588 508 H GLU 60 H GLU 60 -1.105 8.522 6.985 509 HA GLU 60 HA GLU 60 -1.121 11.177 6.036 510 HB2 GLU 60 HB2 GLU 60 1.100 11.406 7.102 511 HB3 GLU 60 HB3 GLU 60 -0.088 10.671 8.167 512 HG2 GLU 60 HG2 GLU 60 0.819 8.545 7.856 513 HG3 GLU 60 HG3 GLU 60 1.872 9.091 6.556 514 H TYR 61 H TYR 61 0.633 8.315 4.986 515 HA TYR 61 HA TYR 61 2.436 9.380 3.151 516 HB2 TYR 61 HB2 TYR 61 2.560 6.988 3.597 517 HB3 TYR 61 HB3 TYR 61 0.897 6.781 3.243 518 HD1 TYR 61 HD1 TYR 61 3.917 8.018 1.357 519 HD2 TYR 61 HD2 TYR 61 0.358 5.698 1.391 520 HE1 TYR 61 HE1 TYR 61 4.344 7.315 -0.974 521 HE2 TYR 61 HE2 TYR 61 0.749 5.003 -0.903 522 HH TYR 61 HH TYR 61 3.724 5.479 -2.454 523 H LEU 62 H LEU 62 -0.822 8.252 2.609 524 HA LEU 62 HA LEU 62 -0.918 8.971 -0.058 525 HB2 LEU 62 HB2 LEU 62 -2.961 8.205 1.927 526 HB3 LEU 62 HB3 LEU 62 -3.371 8.595 0.255 527 HG LEU 62 HG LEU 62 -1.179 6.662 0.771 528 HD11 LEU 62 HD11 LEU 62 -2.766 4.885 0.687 529 HD12 LEU 62 HD12 LEU 62 -4.107 6.086 0.853 530 HD13 LEU 62 HD13 LEU 62 -2.832 5.915 2.109 531 HD21 LEU 62 HD21 LEU 62 -1.559 7.472 -1.492 532 HD22 LEU 62 HD22 LEU 62 -3.244 6.960 -1.387 533 HD23 LEU 62 HD23 LEU 62 -1.953 5.758 -1.351 534 H GLU 63 H GLU 63 -2.292 10.515 2.815 535 HA GLU 63 HA GLU 63 -3.474 12.700 1.484 536 HB2 GLU 63 HB2 GLU 63 -2.205 12.679 4.224 537 HB3 GLU 63 HB3 GLU 63 -3.211 13.980 3.640 538 HG2 GLU 63 HG2 GLU 63 -5.079 12.332 3.426 539 HG3 GLU 63 HG3 GLU 63 -4.026 11.135 4.179 540 H LYS 64 H LYS 64 -0.201 12.241 2.636 541 HA LYS 64 HA LYS 64 0.863 14.766 2.119 542 HB2 LYS 64 HB2 LYS 64 1.945 13.050 3.467 543 HB3 LYS 64 HB3 LYS 64 2.186 12.073 2.034 544 HG2 LYS 64 HG2 LYS 64 4.181 13.056 2.442 545 HG3 LYS 64 HG3 LYS 64 3.512 13.938 1.101 546 HD2 LYS 64 HD2 LYS 64 2.715 15.749 2.510 547 HD3 LYS 64 HD3 LYS 64 3.279 14.900 3.948 548 HE2 LYS 64 HE2 LYS 64 5.583 15.146 3.189 549 HE3 LYS 64 HE3 LYS 64 5.029 15.953 1.726 550 HZ1 LYS 64 HZ1 LYS 64 4.603 16.940 4.488 551 HZ2 LYS 64 HZ2 LYS 64 4.120 17.720 3.078 552 HZ3 LYS 64 HZ3 LYS 64 5.760 17.527 3.423 553 H ALA 65 H ALA 65 1.668 11.870 0.338 554 HA ALA 65 HA ALA 65 2.759 13.099 -1.887 555 HB1 ALA 65 HB1 ALA 65 2.662 10.986 -3.008 556 HB2 ALA 65 HB2 ALA 65 1.440 10.408 -1.872 557 HB3 ALA 65 HB3 ALA 65 3.086 10.751 -1.308 558 H LEU 66 H LEU 66 -0.668 12.343 -1.391 559 HA LEU 66 HA LEU 66 -1.225 12.892 -4.119 560 HB2 LEU 66 HB2 LEU 66 -3.134 12.699 -1.796 561 HB3 LEU 66 HB3 LEU 66 -3.631 12.878 -3.466 562 HG LEU 66 HG LEU 66 -2.161 10.517 -2.287 563 HD11 LEU 66 HD11 LEU 66 -4.970 10.783 -3.316 564 HD12 LEU 66 HD12 LEU 66 -4.489 10.619 -1.626 565 HD13 LEU 66 HD13 LEU 66 -4.207 9.294 -2.760 566 HD21 LEU 66 HD21 LEU 66 -3.133 10.985 -5.110 567 HD22 LEU 66 HD22 LEU 66 -2.500 9.463 -4.483 568 HD23 LEU 66 HD23 LEU 66 -1.451 10.870 -4.584 569 H ASN 67 H ASN 67 -1.315 14.826 -1.136 570 HA ASN 67 HA ASN 67 -2.287 17.086 -2.695 571 HB2 ASN 67 HB2 ASN 67 -1.676 16.789 0.237 572 HB3 ASN 67 HB3 ASN 67 -2.094 18.337 -0.486 573 HD21 ASN 67 HD21 ASN 67 -3.243 15.190 0.428 574 HD22 ASN 67 HD22 ASN 67 -4.922 15.526 0.250 575 H LYS 68 H LYS 68 0.640 15.725 -2.108 576 HA LYS 68 HA LYS 68 2.210 18.130 -1.982 577 HB2 LYS 68 HB2 LYS 68 2.937 15.967 -0.940 578 HB3 LYS 68 HB3 LYS 68 3.046 15.297 -2.544 579 HG2 LYS 68 HG2 LYS 68 4.822 16.779 -3.147 580 HG3 LYS 68 HG3 LYS 68 4.678 17.649 -1.619 581 HD2 LYS 68 HD2 LYS 68 5.248 15.640 -0.414 582 HD3 LYS 68 HD3 LYS 68 5.391 14.743 -1.928 583 HE2 LYS 68 HE2 LYS 68 7.220 16.210 -2.625 584 HE3 LYS 68 HE3 LYS 68 7.075 17.124 -1.126 585 HZ1 LYS 68 HZ1 LYS 68 7.814 14.250 -1.334 586 HZ2 LYS 68 HZ2 LYS 68 7.701 15.133 0.100 587 HZ3 LYS 68 HZ3 LYS 68 8.877 15.512 -1.030
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