NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598504 | 2n4p | 25675 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 1.221 24.952 8.038 2 H2 MET 1 H2 MET 1 0.003 25.780 7.288 3 H3 MET 1 H3 MET 1 -0.000 24.127 7.288 4 HA MET 1 HA MET 1 2.027 25.793 6.033 5 HB2 MET 1 HB3 MET 1 1.493 22.817 5.982 6 HB3 MET 1 HB2 MET 1 2.624 23.633 4.907 7 HG2 MET 1 HG3 MET 1 3.753 24.484 7.037 8 HG3 MET 1 HG2 MET 1 2.801 23.257 7.873 9 HE1 MET 1 HE1 MET 1 5.426 24.271 5.586 10 HE2 MET 1 HE2 MET 1 6.535 23.474 6.706 11 HE3 MET 1 HE3 MET 1 6.312 22.831 5.075 12 H ALA 2 H ALA 2 -0.878 26.162 5.894 13 HA ALA 2 HA ALA 2 -2.455 26.630 4.318 14 HB1 ALA 2 HB1 ALA 2 -1.698 27.480 2.369 15 HB2 ALA 2 HB2 ALA 2 -1.709 27.444 2.347 16 HB3 ALA 2 HB3 ALA 2 -0.713 26.032 2.009 17 H GLY 3 H GLY 3 -2.397 24.030 5.343 18 HA2 GLY 3 HA3 GLY 3 -3.805 22.643 3.216 19 HA3 GLY 3 HA2 GLY 3 -2.335 21.845 3.763 20 H SER 4 H SER 4 -5.557 21.782 4.087 21 HA SER 4 HA SER 4 -5.369 20.525 6.732 22 HB2 SER 4 HB3 SER 4 -7.250 22.750 5.958 23 HB3 SER 4 HB2 SER 4 -7.661 21.606 7.238 24 HG SER 4 HG SER 4 -5.617 22.210 8.220 25 H HIS 5 H HIS 5 -6.804 18.843 7.080 26 HA HIS 5 HA HIS 5 -7.710 17.475 4.759 27 HB2 HIS 5 HB3 HIS 5 -8.197 16.991 7.705 28 HB3 HIS 5 HB2 HIS 5 -8.756 15.903 6.435 29 HD1 HIS 5 HD1 HIS 5 -6.610 15.246 8.714 30 HD2 HIS 5 HD2 HIS 5 -5.817 16.135 4.726 31 HE1 HIS 5 HE1 HIS 5 -4.357 14.229 8.227 32 HE2 HIS 5 HE2 HIS 5 -3.877 14.775 5.784 33 H HIS 6 H HIS 6 -9.200 19.707 6.954 34 HA HIS 6 HA HIS 6 -11.900 19.087 6.610 35 HB2 HIS 6 HB3 HIS 6 -10.499 21.716 7.105 36 HB3 HIS 6 HB2 HIS 6 -12.255 21.573 7.060 37 HD1 HIS 6 HD1 HIS 6 -13.266 21.276 9.288 38 HD2 HIS 6 HD2 HIS 6 -9.404 19.736 9.129 39 HE1 HIS 6 HE1 HIS 6 -12.776 20.430 11.610 40 HE2 HIS 6 HE2 HIS 6 -10.410 19.487 11.507 41 H HIS 7 H HIS 7 -9.642 20.631 4.465 42 HA HIS 7 HA HIS 7 -11.450 21.945 2.753 43 HB2 HIS 7 HB3 HIS 7 -8.648 20.935 2.495 44 HB3 HIS 7 HB2 HIS 7 -9.502 21.427 1.035 45 HD1 HIS 7 HD1 HIS 7 -8.199 23.539 0.566 46 HD2 HIS 7 HD2 HIS 7 -9.773 23.420 4.416 47 HE1 HIS 7 HE1 HIS 7 -7.844 25.845 1.516 48 HE2 HIS 7 HE2 HIS 7 -8.811 25.767 3.874 49 H HIS 8 H HIS 8 -13.142 20.967 1.848 50 HA HIS 8 HA HIS 8 -12.655 18.664 0.124 51 HB2 HIS 8 HB3 HIS 8 -13.295 17.656 2.271 52 HB3 HIS 8 HB2 HIS 8 -14.761 18.636 2.301 53 HD1 HIS 8 HD1 HIS 8 -13.163 16.025 0.027 54 HD2 HIS 8 HD2 HIS 8 -16.905 17.353 1.271 55 HE1 HIS 8 HE1 HIS 8 -14.826 14.456 -1.030 56 HE2 HIS 8 HE2 HIS 8 -17.116 15.273 -0.265 57 H HIS 9 H HIS 9 -13.797 18.767 -1.716 58 HA HIS 9 HA HIS 9 -16.078 20.639 -1.820 59 HB2 HIS 9 HB3 HIS 9 -15.352 21.154 -4.177 60 HB3 HIS 9 HB2 HIS 9 -14.269 21.752 -2.921 61 HD1 HIS 9 HD1 HIS 9 -11.934 21.509 -3.666 62 HD2 HIS 9 HD2 HIS 9 -14.286 18.306 -4.903 63 HE1 HIS 9 HE1 HIS 9 -10.374 19.950 -4.885 64 HE2 HIS 9 HE2 HIS 9 -11.819 17.991 -5.640 65 H HIS 10 H HIS 10 -17.490 20.248 -3.762 66 HA HIS 10 HA HIS 10 -18.258 17.487 -3.795 67 HB2 HIS 10 HB3 HIS 10 -19.922 19.297 -3.882 68 HB3 HIS 10 HB2 HIS 10 -19.282 19.816 -5.440 69 HD1 HIS 10 HD1 HIS 10 -20.692 19.054 -7.308 70 HD2 HIS 10 HD2 HIS 10 -20.724 16.343 -4.151 71 HE1 HIS 10 HE1 HIS 10 -22.219 17.187 -8.033 72 HE2 HIS 10 HE2 HIS 10 -22.235 15.528 -6.098 73 H GLY 11 H GLY 11 -18.130 15.996 -5.439 74 HA2 GLY 11 HA3 GLY 11 -17.672 15.318 -7.679 75 HA3 GLY 11 HA2 GLY 11 -16.746 16.796 -7.910 76 H SER 12 H SER 12 -16.237 15.032 -4.993 77 HA SER 12 HA SER 12 -13.488 14.756 -5.374 78 HB2 SER 12 HB3 SER 12 -14.551 14.645 -3.163 79 HB3 SER 12 HB2 SER 12 -15.305 13.107 -3.594 80 HG SER 12 HG SER 12 -13.189 12.235 -3.814 81 H MET 13 H MET 13 -12.160 13.070 -5.994 82 HA MET 13 HA MET 13 -13.501 10.924 -7.514 83 HB2 MET 13 HB3 MET 13 -11.247 10.788 -8.712 84 HB3 MET 13 HB2 MET 13 -12.250 12.195 -9.050 85 HG2 MET 13 HG3 MET 13 -10.915 13.571 -7.617 86 HG3 MET 13 HG2 MET 13 -9.996 12.173 -7.056 87 HE1 MET 13 HE1 MET 13 -8.038 11.272 -8.011 88 HE2 MET 13 HE2 MET 13 -8.848 10.524 -9.391 89 HE3 MET 13 HE3 MET 13 -7.403 11.510 -9.641 90 H SER 14 H SER 14 -12.244 8.869 -7.662 91 HA SER 14 HA SER 14 -10.668 8.339 -5.230 92 HB2 SER 14 HB3 SER 14 -12.635 6.296 -6.214 93 HB3 SER 14 HB2 SER 14 -11.935 6.487 -4.605 94 HG SER 14 HG SER 14 -14.268 7.309 -5.352 95 H GLU 15 H GLU 15 -8.801 7.383 -5.668 96 HA GLU 15 HA GLU 15 -8.481 6.096 -8.301 97 HB2 GLU 15 HB3 GLU 15 -6.973 8.054 -7.150 98 HB3 GLU 15 HB2 GLU 15 -6.082 6.622 -6.657 99 HG2 GLU 15 HG3 GLU 15 -5.462 6.093 -8.790 100 HG3 GLU 15 HG2 GLU 15 -6.888 6.843 -9.511 101 H TYR 16 H TYR 16 -6.312 4.543 -7.954 102 HA TYR 16 HA TYR 16 -7.131 2.612 -5.873 103 HB2 TYR 16 HB3 TYR 16 -6.382 0.819 -7.438 104 HB3 TYR 16 HB2 TYR 16 -7.768 1.726 -8.028 105 HD1 TYR 16 HD1 TYR 16 -7.374 3.541 -9.761 106 HD2 TYR 16 HD2 TYR 16 -4.406 0.671 -8.713 107 HE1 TYR 16 HE1 TYR 16 -6.179 4.020 -11.855 108 HE2 TYR 16 HE2 TYR 16 -3.208 1.146 -10.807 109 HH TYR 16 HH TYR 16 -4.132 3.780 -12.906 110 H ILE 17 H ILE 17 -5.402 1.119 -5.190 111 HA ILE 17 HA ILE 17 -2.807 2.523 -5.144 112 HB ILE 17 HB ILE 17 -3.698 2.331 -2.933 113 HG12 ILE 17 HG13 ILE 17 -1.597 0.210 -3.388 114 HG13 ILE 17 HG12 ILE 17 -1.291 1.909 -3.154 115 HG21 ILE 17 HG21 ILE 17 -5.120 0.714 -2.409 116 HG22 ILE 17 HG22 ILE 17 -4.742 -0.134 -3.903 117 HG23 ILE 17 HG23 ILE 17 -3.799 -0.449 -2.449 118 HD11 ILE 17 HD11 ILE 17 -2.400 1.670 -0.898 119 HD12 ILE 17 HD12 ILE 17 -2.306 -0.074 -1.156 120 HD13 ILE 17 HD13 ILE 17 -0.830 0.892 -1.097 121 H ARG 18 H ARG 18 -1.161 1.633 -6.186 122 HA ARG 18 HA ARG 18 -1.289 -1.254 -6.797 123 HB2 ARG 18 HB3 ARG 18 -0.739 1.074 -8.466 124 HB3 ARG 18 HB2 ARG 18 0.524 -0.136 -8.568 125 HG2 ARG 18 HG3 ARG 18 -1.878 -1.554 -8.730 126 HG3 ARG 18 HG2 ARG 18 -2.085 -0.126 -9.745 127 HD2 ARG 18 HD3 ARG 18 0.495 -1.067 -10.290 128 HD3 ARG 18 HD2 ARG 18 -0.525 -2.504 -10.214 129 HE ARG 18 HE ARG 18 -1.605 -0.352 -11.813 130 HH11 ARG 18 HH11 ARG 18 0.400 -3.205 -11.768 131 HH12 ARG 18 HH12 ARG 18 0.229 -3.510 -13.467 132 HH21 ARG 18 HH21 ARG 18 -1.833 -0.744 -14.047 133 HH22 ARG 18 HH22 ARG 18 -1.040 -2.109 -14.762 134 H VAL 19 H VAL 19 -0.038 -2.237 -5.331 135 HA VAL 19 HA VAL 19 2.786 -1.490 -5.230 136 HB VAL 19 HB VAL 19 2.762 -1.803 -2.715 137 HG11 VAL 19 HG11 VAL 19 2.529 0.437 -4.269 138 HG12 VAL 19 HG12 VAL 19 1.216 0.644 -3.109 139 HG13 VAL 19 HG13 VAL 19 2.874 0.425 -2.538 140 HG21 VAL 19 HG21 VAL 19 0.537 -2.787 -2.523 141 HG22 VAL 19 HG22 VAL 19 0.657 -1.313 -1.561 142 HG23 VAL 19 HG23 VAL 19 -0.187 -1.286 -3.110 143 H THR 20 H THR 20 4.164 -3.165 -4.461 144 HA THR 20 HA THR 20 2.887 -5.823 -4.304 145 HB THR 20 HB THR 20 3.774 -5.870 -6.469 146 HG1 THR 20 HG1 THR 20 5.464 -7.359 -6.284 147 HG21 THR 20 HG21 THR 20 5.032 -3.971 -6.791 148 HG22 THR 20 HG22 THR 20 6.306 -5.192 -6.731 149 HG23 THR 20 HG23 THR 20 5.961 -4.206 -5.312 150 H GLU 21 H GLU 21 4.014 -7.410 -3.095 151 HA GLU 21 HA GLU 21 5.420 -6.323 -0.835 152 HB2 GLU 21 HB3 GLU 21 3.799 -8.455 -1.133 153 HB3 GLU 21 HB2 GLU 21 5.343 -9.254 -1.251 154 HG2 GLU 21 HG3 GLU 21 5.020 -7.351 0.979 155 HG3 GLU 21 HG2 GLU 21 4.077 -8.828 1.065 156 H ASP 22 H ASP 22 6.256 -8.591 -3.448 157 HA ASP 22 HA ASP 22 9.086 -8.336 -2.711 158 HB2 ASP 22 HB3 ASP 22 7.545 -10.333 -4.348 159 HB3 ASP 22 HB2 ASP 22 9.297 -10.209 -4.494 160 H GLU 23 H GLU 23 10.681 -8.053 -4.428 161 HA GLU 23 HA GLU 23 9.835 -5.973 -6.261 162 HB2 GLU 23 HB3 GLU 23 12.220 -5.729 -6.755 163 HB3 GLU 23 HB2 GLU 23 11.927 -5.723 -5.019 164 HG2 GLU 23 HG3 GLU 23 12.419 -8.322 -5.336 165 HG3 GLU 23 HG2 GLU 23 13.344 -7.700 -6.704 166 H ASN 24 H ASN 24 10.784 -9.333 -6.386 167 HA ASN 24 HA ASN 24 11.235 -9.459 -9.196 168 HB2 ASN 24 HB3 ASN 24 10.694 -11.532 -7.075 169 HB3 ASN 24 HB2 ASN 24 10.835 -11.974 -8.776 170 HD21 ASN 24 HD21 ASN 24 12.502 -10.656 -6.004 171 HD22 ASN 24 HD22 ASN 24 14.109 -10.918 -6.603 172 H ASP 25 H ASP 25 8.404 -9.563 -7.193 173 HA ASP 25 HA ASP 25 6.712 -10.660 -9.277 174 HB2 ASP 25 HB3 ASP 25 6.120 -9.560 -6.524 175 HB3 ASP 25 HB2 ASP 25 4.873 -10.155 -7.620 176 H GLU 26 H GLU 26 4.476 -9.315 -9.396 177 HA GLU 26 HA GLU 26 5.280 -6.660 -10.391 178 HB2 GLU 26 HB3 GLU 26 3.215 -8.645 -11.251 179 HB3 GLU 26 HB2 GLU 26 2.935 -6.938 -11.570 180 HG2 GLU 26 HG3 GLU 26 4.745 -6.773 -13.010 181 HG3 GLU 26 HG2 GLU 26 5.512 -8.228 -12.369 182 HA PRO 27 HA PRO 27 2.757 -4.535 -7.500 183 HB2 PRO 27 HB3 PRO 27 1.766 -2.507 -8.994 184 HB3 PRO 27 HB2 PRO 27 3.450 -2.581 -8.487 185 HG2 PRO 27 HG3 PRO 27 2.234 -3.328 -11.122 186 HG3 PRO 27 HG2 PRO 27 3.733 -2.435 -10.794 187 HD2 PRO 27 HD3 PRO 27 3.715 -5.062 -11.452 188 HD3 PRO 27 HD2 PRO 27 4.932 -4.358 -10.365 189 H ILE 28 H ILE 28 0.961 -5.477 -6.745 190 HA ILE 28 HA ILE 28 -1.199 -6.265 -8.487 191 HB ILE 28 HB ILE 28 -0.696 -7.684 -6.603 192 HG12 ILE 28 HG13 ILE 28 -2.926 -7.833 -5.558 193 HG13 ILE 28 HG12 ILE 28 -3.318 -6.227 -6.166 194 HG21 ILE 28 HG21 ILE 28 -1.104 -5.181 -4.998 195 HG22 ILE 28 HG22 ILE 28 -1.246 -6.779 -4.268 196 HG23 ILE 28 HG23 ILE 28 0.278 -6.282 -5.006 197 HD11 ILE 28 HD11 ILE 28 -4.038 -7.104 -8.062 198 HD12 ILE 28 HD12 ILE 28 -2.461 -7.845 -8.350 199 HD13 ILE 28 HD13 ILE 28 -3.690 -8.715 -7.432 200 H GLU 29 H GLU 29 -3.202 -5.361 -8.689 201 HA GLU 29 HA GLU 29 -3.472 -2.628 -7.656 202 HB2 GLU 29 HB3 GLU 29 -5.322 -3.884 -9.661 203 HB3 GLU 29 HB2 GLU 29 -4.931 -2.181 -9.430 204 HG2 GLU 29 HG3 GLU 29 -2.510 -3.074 -10.103 205 HG3 GLU 29 HG2 GLU 29 -3.485 -4.288 -10.929 206 H ILE 30 H ILE 30 -4.689 -2.274 -5.934 207 HA ILE 30 HA ILE 30 -6.998 -4.050 -5.451 208 HB ILE 30 HB ILE 30 -6.453 -3.326 -2.942 209 HG12 ILE 30 HG13 ILE 30 -3.672 -3.707 -4.011 210 HG13 ILE 30 HG12 ILE 30 -4.373 -2.108 -3.919 211 HG21 ILE 30 HG21 ILE 30 -5.559 -5.628 -4.598 212 HG22 ILE 30 HG22 ILE 30 -4.957 -5.504 -2.944 213 HG23 ILE 30 HG23 ILE 30 -6.695 -5.577 -3.246 214 HD11 ILE 30 HD11 ILE 30 -4.494 -2.159 -1.590 215 HD12 ILE 30 HD12 ILE 30 -4.283 -3.910 -1.535 216 HD13 ILE 30 HD13 ILE 30 -2.927 -2.870 -1.981 217 HA PRO 31 HA PRO 31 -9.503 -0.476 -5.007 218 HB2 PRO 31 HB3 PRO 31 -11.175 -1.187 -2.986 219 HB3 PRO 31 HB2 PRO 31 -11.275 -1.887 -4.608 220 HG2 PRO 31 HG3 PRO 31 -10.001 -3.001 -2.138 221 HG3 PRO 31 HG2 PRO 31 -11.006 -3.822 -3.346 222 HD2 PRO 31 HD3 PRO 31 -8.306 -4.017 -3.324 223 HD3 PRO 31 HD2 PRO 31 -9.253 -4.066 -4.825 224 H SER 32 H SER 32 -9.925 1.372 -3.738 225 HA SER 32 HA SER 32 -8.688 1.511 -1.088 226 HB2 SER 32 HB3 SER 32 -8.066 3.671 -3.089 227 HB3 SER 32 HB2 SER 32 -7.239 3.288 -1.579 228 HG SER 32 HG SER 32 -6.422 2.570 -3.864 229 H GLU 33 H GLU 33 -8.952 4.051 -0.418 230 HA GLU 33 HA GLU 33 -11.840 4.437 -0.464 231 HB2 GLU 33 HB3 GLU 33 -9.667 5.874 1.074 232 HB3 GLU 33 HB2 GLU 33 -11.392 6.155 1.266 233 HG2 GLU 33 HG3 GLU 33 -9.925 3.591 1.849 234 HG3 GLU 33 HG2 GLU 33 -10.561 4.733 3.035 235 H ASP 34 H ASP 34 -12.550 6.839 -0.483 236 HA ASP 34 HA ASP 34 -11.788 7.891 -3.056 237 HB2 ASP 34 HB3 ASP 34 -13.546 9.541 -2.680 238 HB3 ASP 34 HB2 ASP 34 -14.133 7.924 -2.286 239 H ASP 35 H ASP 35 -11.267 8.739 0.313 240 HA ASP 35 HA ASP 35 -10.217 11.328 -0.109 241 HB2 ASP 35 HB3 ASP 35 -9.813 9.331 2.122 242 HB3 ASP 35 HB2 ASP 35 -9.155 10.966 2.160 243 H GLY 36 H GLY 36 -8.931 8.213 -0.704 244 HA2 GLY 36 HA3 GLY 36 -6.963 8.202 -2.183 245 HA3 GLY 36 HA2 GLY 36 -6.265 9.414 -1.150 246 H THR 37 H THR 37 -7.619 7.687 1.105 247 HA THR 37 HA THR 37 -5.201 6.193 1.671 248 HB THR 37 HB THR 37 -6.135 5.757 3.833 249 HG1 THR 37 HG1 THR 37 -8.594 6.882 2.937 250 HG21 THR 37 HG21 THR 37 -5.693 7.855 4.436 251 HG22 THR 37 HG22 THR 37 -7.285 8.368 3.868 252 HG23 THR 37 HG23 THR 37 -5.908 8.373 2.761 253 H VAL 38 H VAL 38 -5.909 3.974 2.956 254 HA VAL 38 HA VAL 38 -7.659 2.424 1.175 255 HB VAL 38 HB VAL 38 -4.796 1.725 1.834 256 HG11 VAL 38 HG11 VAL 38 -5.925 -0.304 2.158 257 HG12 VAL 38 HG12 VAL 38 -7.039 -0.000 0.817 258 HG13 VAL 38 HG13 VAL 38 -5.344 -0.379 0.494 259 HG21 VAL 38 HG21 VAL 38 -5.524 3.208 -0.182 260 HG22 VAL 38 HG22 VAL 38 -4.351 1.918 -0.422 261 HG23 VAL 38 HG23 VAL 38 -6.037 1.675 -0.884 262 H LEU 39 H LEU 39 -9.028 1.214 2.303 263 HA LEU 39 HA LEU 39 -8.994 1.108 5.120 264 HB2 LEU 39 HB3 LEU 39 -10.746 0.385 3.033 265 HB3 LEU 39 HB2 LEU 39 -10.513 -1.060 4.016 266 HG LEU 39 HG LEU 39 -11.449 1.616 5.057 267 HD11 LEU 39 HD11 LEU 39 -12.966 0.183 3.488 268 HD12 LEU 39 HD12 LEU 39 -13.620 0.864 4.979 269 HD13 LEU 39 HD13 LEU 39 -13.146 -0.836 4.918 270 HD21 LEU 39 HD21 LEU 39 -10.844 -1.020 6.325 271 HD22 LEU 39 HD22 LEU 39 -12.135 -0.012 6.984 272 HD23 LEU 39 HD23 LEU 39 -10.485 0.613 6.892 273 H LEU 40 H LEU 40 -8.414 -0.467 6.566 274 HA LEU 40 HA LEU 40 -6.231 -2.115 5.932 275 HB2 LEU 40 HB3 LEU 40 -7.255 -1.218 8.217 276 HB3 LEU 40 HB2 LEU 40 -7.971 -2.832 8.232 277 HG LEU 40 HG LEU 40 -5.008 -2.369 7.943 278 HD11 LEU 40 HD11 LEU 40 -4.853 -1.851 10.090 279 HD12 LEU 40 HD12 LEU 40 -5.681 -3.347 10.521 280 HD13 LEU 40 HD13 LEU 40 -6.613 -1.878 10.232 281 HD21 LEU 40 HD21 LEU 40 -5.314 -4.539 7.332 282 HD22 LEU 40 HD22 LEU 40 -6.805 -4.712 8.264 283 HD23 LEU 40 HD23 LEU 40 -5.240 -4.758 9.081 284 H SER 41 H SER 41 -9.623 -2.630 5.624 285 HA SER 41 HA SER 41 -9.686 -5.452 5.735 286 HB2 SER 41 HB3 SER 41 -11.872 -5.299 4.848 287 HB3 SER 41 HB2 SER 41 -11.660 -3.805 5.764 288 HG SER 41 HG SER 41 -12.024 -4.178 3.073 289 H THR 42 H THR 42 -8.760 -3.202 3.244 290 HA THR 42 HA THR 42 -8.731 -5.254 1.177 291 HB THR 42 HB THR 42 -7.800 -2.377 1.047 292 HG1 THR 42 HG1 THR 42 -9.869 -1.978 0.928 293 HG21 THR 42 HG21 THR 42 -8.123 -2.784 -1.437 294 HG22 THR 42 HG22 THR 42 -8.186 -4.505 -1.054 295 HG23 THR 42 HG23 THR 42 -6.730 -3.571 -0.699 296 H VAL 43 H VAL 43 -6.521 -3.614 3.323 297 HA VAL 43 HA VAL 43 -4.101 -4.263 1.990 298 HB VAL 43 HB VAL 43 -4.719 -3.622 4.875 299 HG11 VAL 43 HG11 VAL 43 -2.105 -3.277 4.867 300 HG12 VAL 43 HG12 VAL 43 -2.819 -4.850 5.238 301 HG13 VAL 43 HG13 VAL 43 -2.172 -4.530 3.626 302 HG21 VAL 43 HG21 VAL 43 -2.918 -1.855 3.464 303 HG22 VAL 43 HG22 VAL 43 -4.440 -2.044 2.592 304 HG23 VAL 43 HG23 VAL 43 -4.447 -1.495 4.268 305 H THR 44 H THR 44 -6.036 -5.957 4.414 306 HA THR 44 HA THR 44 -4.118 -8.091 4.716 307 HB THR 44 HB THR 44 -5.769 -9.161 6.132 308 HG1 THR 44 HG1 THR 44 -7.738 -8.880 5.304 309 HG21 THR 44 HG21 THR 44 -4.818 -6.499 6.522 310 HG22 THR 44 HG22 THR 44 -5.150 -7.741 7.732 311 HG23 THR 44 HG23 THR 44 -6.429 -6.631 7.230 312 H ALA 45 H ALA 45 -6.505 -7.317 2.438 313 HA ALA 45 HA ALA 45 -7.453 -9.884 1.736 314 HB1 ALA 45 HB1 ALA 45 -7.149 -7.475 -0.070 315 HB2 ALA 45 HB2 ALA 45 -7.158 -7.456 -0.030 316 HB3 ALA 45 HB3 ALA 45 -8.526 -7.784 1.027 317 H GLN 46 H GLN 46 -4.752 -7.936 0.482 318 HA GLN 46 HA GLN 46 -3.766 -10.348 -0.900 319 HB2 GLN 46 HB3 GLN 46 -3.101 -7.463 -1.516 320 HB3 GLN 46 HB2 GLN 46 -2.597 -8.872 -2.429 321 HG2 GLN 46 HG3 GLN 46 -5.351 -7.713 -2.180 322 HG3 GLN 46 HG2 GLN 46 -4.368 -7.896 -3.633 323 HE21 GLN 46 HE21 GLN 46 -7.094 -8.869 -2.841 324 HE22 GLN 46 HE22 GLN 46 -7.056 -10.575 -3.158 325 H PHE 47 H PHE 47 -3.127 -8.002 1.525 326 HA PHE 47 HA PHE 47 -0.420 -9.132 1.883 327 HB2 PHE 47 HB3 PHE 47 -1.121 -6.366 2.804 328 HB3 PHE 47 HB2 PHE 47 0.447 -7.047 2.478 329 HD1 PHE 47 HD1 PHE 47 0.178 -8.161 -0.186 330 HD2 PHE 47 HD2 PHE 47 -1.380 -4.537 1.418 331 HE1 PHE 47 HE1 PHE 47 0.133 -7.188 -2.441 332 HE2 PHE 47 HE2 PHE 47 -1.426 -3.557 -0.836 333 HZ PHE 47 HZ PHE 47 -0.678 -4.877 -2.773 334 HA PRO 48 HA PRO 48 -3.008 -10.018 5.630 335 HB2 PRO 48 HB3 PRO 48 -2.163 -12.587 5.887 336 HB3 PRO 48 HB2 PRO 48 -3.521 -12.119 4.859 337 HG2 PRO 48 HG3 PRO 48 -0.677 -12.681 4.103 338 HG3 PRO 48 HG2 PRO 48 -2.171 -13.182 3.293 339 HD2 PRO 48 HD3 PRO 48 -0.681 -11.096 2.430 340 HD3 PRO 48 HD2 PRO 48 -2.448 -11.140 2.255 341 H GLY 49 H GLY 49 -2.225 -9.484 7.570 342 HA2 GLY 49 HA3 GLY 49 -0.782 -9.591 9.406 343 HA3 GLY 49 HA2 GLY 49 0.383 -10.456 8.427 344 H ALA 50 H ALA 50 -0.315 -8.058 6.453 345 HA ALA 50 HA ALA 50 2.072 -6.615 6.988 346 HB1 ALA 50 HB1 ALA 50 1.671 -5.477 5.024 347 HB2 ALA 50 HB2 ALA 50 1.644 -5.446 5.042 348 HB3 ALA 50 HB3 ALA 50 -0.104 -5.517 5.252 349 H CYS 51 H CYS 51 2.142 -5.579 8.919 350 HA CYS 51 HA CYS 51 -0.091 -3.997 9.857 351 HB2 CYS 51 HB3 CYS 51 1.747 -5.330 11.215 352 HB3 CYS 51 HB2 CYS 51 2.629 -3.817 11.083 353 HG CYS 51 HG CYS 51 -0.428 -3.145 12.049 354 H GLY 52 H GLY 52 3.193 -3.374 8.646 355 HA2 GLY 52 HA3 GLY 52 2.347 -0.597 8.120 356 HA3 GLY 52 HA2 GLY 52 3.910 -0.943 8.794 357 H LEU 53 H LEU 53 2.767 0.200 6.146 358 HA LEU 53 HA LEU 53 4.419 -1.469 4.356 359 HB2 LEU 53 HB3 LEU 53 2.206 0.386 3.510 360 HB3 LEU 53 HB2 LEU 53 3.041 -0.811 2.528 361 HG LEU 53 HG LEU 53 1.010 -1.829 2.914 362 HD11 LEU 53 HD11 LEU 53 2.175 -2.914 5.407 363 HD12 LEU 53 HD12 LEU 53 3.172 -3.011 3.958 364 HD13 LEU 53 HD13 LEU 53 1.570 -3.745 3.974 365 HD21 LEU 53 HD21 LEU 53 -0.403 -1.472 4.670 366 HD22 LEU 53 HD22 LEU 53 0.531 0.024 4.739 367 HD23 LEU 53 HD23 LEU 53 0.907 -1.302 5.841 368 H ARG 54 H ARG 54 6.153 -0.568 3.453 369 HA ARG 54 HA ARG 54 6.510 2.340 3.773 370 HB2 ARG 54 HB3 ARG 54 8.267 0.046 4.102 371 HB3 ARG 54 HB2 ARG 54 8.970 1.254 3.049 372 HG2 ARG 54 HG3 ARG 54 8.827 2.928 4.741 373 HG3 ARG 54 HG2 ARG 54 7.848 1.878 5.773 374 HD2 ARG 54 HD3 ARG 54 10.049 0.332 5.377 375 HD3 ARG 54 HD2 ARG 54 10.758 1.949 5.352 376 HE ARG 54 HE ARG 54 8.988 1.617 7.562 377 HH11 ARG 54 HH11 ARG 54 12.189 0.851 6.411 378 HH12 ARG 54 HH12 ARG 54 12.872 0.730 8.001 379 HH21 ARG 54 HH21 ARG 54 9.878 1.459 9.656 380 HH22 ARG 54 HH22 ARG 54 11.557 1.075 9.845 381 H TYR 55 H TYR 55 8.004 3.307 2.048 382 HA TYR 55 HA TYR 55 7.004 2.431 -0.582 383 HB2 TYR 55 HB3 TYR 55 7.766 5.097 0.542 384 HB3 TYR 55 HB2 TYR 55 7.849 4.838 -1.189 385 HD1 TYR 55 HD2 TYR 55 5.512 3.164 -1.708 386 HD2 TYR 55 HD1 TYR 55 5.938 6.486 0.913 387 HE1 TYR 55 HE2 TYR 55 3.101 3.614 -1.894 388 HE2 TYR 55 HE1 TYR 55 3.531 6.944 0.735 389 HH TYR 55 HH TYR 55 1.427 5.550 0.185 390 H ARG 56 H ARG 56 8.369 1.603 -2.011 391 HA ARG 56 HA ARG 56 11.244 2.185 -1.723 392 HB2 ARG 56 HB3 ARG 56 10.951 -0.026 -0.844 393 HB3 ARG 56 HB2 ARG 56 9.935 -0.494 -2.204 394 HG2 ARG 56 HG3 ARG 56 12.179 -1.449 -2.362 395 HG3 ARG 56 HG2 ARG 56 11.831 -0.358 -3.708 396 HD2 ARG 56 HD3 ARG 56 13.106 1.409 -2.647 397 HD3 ARG 56 HD2 ARG 56 13.383 0.390 -1.230 398 HE ARG 56 HE ARG 56 14.328 -0.744 -3.711 399 HH11 ARG 56 HH11 ARG 56 15.094 1.312 -1.000 400 HH12 ARG 56 HH12 ARG 56 16.809 1.106 -1.160 401 HH21 ARG 56 HH21 ARG 56 16.583 -1.022 -3.927 402 HH22 ARG 56 HH22 ARG 56 17.654 -0.221 -2.826 403 H ASN 57 H ASN 57 12.059 3.065 -3.497 404 HA ASN 57 HA ASN 57 11.033 2.223 -6.115 405 HB2 ASN 57 HB3 ASN 57 10.606 4.800 -4.909 406 HB3 ASN 57 HB2 ASN 57 11.589 4.975 -6.348 407 HD21 ASN 57 HD21 ASN 57 10.723 3.374 -8.160 408 HD22 ASN 57 HD22 ASN 57 9.030 3.562 -8.485 409 HA PRO 58 HA PRO 58 15.451 1.931 -6.653 410 HB2 PRO 58 HB3 PRO 58 15.342 0.914 -9.170 411 HB3 PRO 58 HB2 PRO 58 15.036 -0.055 -7.731 412 HG2 PRO 58 HG3 PRO 58 13.082 1.211 -9.606 413 HG3 PRO 58 HG2 PRO 58 13.047 -0.409 -8.882 414 HD2 PRO 58 HD3 PRO 58 11.569 1.645 -7.919 415 HD3 PRO 58 HD2 PRO 58 12.213 0.375 -6.878 416 H VAL 59 H VAL 59 13.195 3.541 -8.804 417 HA VAL 59 HA VAL 59 15.310 4.939 -10.223 418 HB VAL 59 HB VAL 59 13.487 6.052 -11.444 419 HG11 VAL 59 HG11 VAL 59 12.441 3.368 -11.666 420 HG12 VAL 59 HG12 VAL 59 13.413 4.298 -12.812 421 HG13 VAL 59 HG13 VAL 59 14.202 3.358 -11.539 422 HG21 VAL 59 HG21 VAL 59 11.155 5.372 -11.042 423 HG22 VAL 59 HG22 VAL 59 11.678 4.454 -9.625 424 HG23 VAL 59 HG23 VAL 59 11.850 6.213 -9.656 425 H SER 60 H SER 60 13.078 5.503 -7.606 426 HA SER 60 HA SER 60 13.594 8.362 -7.558 427 HB2 SER 60 HB3 SER 60 12.089 6.725 -5.513 428 HB3 SER 60 HB2 SER 60 11.997 8.468 -5.773 429 HG SER 60 HG SER 60 11.103 8.013 -7.849 430 H GLN 61 H GLN 61 14.668 5.460 -5.965 431 HA GLN 61 HA GLN 61 16.310 5.055 -4.441 432 HB2 GLN 61 HB3 GLN 61 17.229 7.851 -5.142 433 HB3 GLN 61 HB2 GLN 61 18.188 6.618 -4.333 434 HG2 GLN 61 HG3 GLN 61 18.197 5.246 -6.296 435 HG3 GLN 61 HG2 GLN 61 17.065 6.329 -7.111 436 HE21 GLN 61 HE21 GLN 61 18.958 6.074 -8.674 437 HE22 GLN 61 HE22 GLN 61 20.191 7.292 -8.573 438 H CYS 62 H CYS 62 13.773 6.517 -3.712 439 HA CYS 62 HA CYS 62 14.599 8.054 -1.373 440 HB2 CYS 62 HB3 CYS 62 12.015 7.595 -2.810 441 HB3 CYS 62 HB2 CYS 62 11.968 8.106 -1.127 442 HG CYS 62 HG CYS 62 11.989 10.578 -1.799 443 H MET 63 H MET 63 12.928 7.587 0.575 444 HA MET 63 HA MET 63 12.743 4.701 1.042 445 HB2 MET 63 HB3 MET 63 13.917 4.780 3.129 446 HB3 MET 63 HB2 MET 63 14.960 5.492 1.902 447 HG2 MET 63 HG3 MET 63 14.395 7.717 2.664 448 HG3 MET 63 HG2 MET 63 13.259 7.052 3.838 449 HE1 MET 63 HE1 MET 63 13.642 5.885 5.711 450 HE2 MET 63 HE2 MET 63 14.996 4.752 5.712 451 HE3 MET 63 HE3 MET 63 15.021 6.158 6.779 452 H ARG 64 H ARG 64 10.871 6.975 0.625 453 HA ARG 64 HA ARG 64 9.644 7.813 2.976 454 HB2 ARG 64 HB3 ARG 64 9.183 8.224 0.335 455 HB3 ARG 64 HB2 ARG 64 7.836 7.166 0.729 456 HG2 ARG 64 HG3 ARG 64 7.707 8.927 2.780 457 HG3 ARG 64 HG2 ARG 64 8.337 9.955 1.490 458 HD2 ARG 64 HD3 ARG 64 6.455 9.003 0.045 459 HD3 ARG 64 HD2 ARG 64 5.770 8.384 1.547 460 HE ARG 64 HE ARG 64 5.822 11.128 0.656 461 HH11 ARG 64 HH11 ARG 64 5.533 8.984 3.391 462 HH12 ARG 64 HH12 ARG 64 4.688 10.138 4.371 463 HH21 ARG 64 HH21 ARG 64 4.712 12.652 1.938 464 HH22 ARG 64 HH22 ARG 64 4.221 12.224 3.544 465 H GLY 65 H GLY 65 7.223 7.124 3.433 466 HA2 GLY 65 HA3 GLY 65 6.839 4.239 3.300 467 HA3 GLY 65 HA2 GLY 65 7.107 4.894 4.910 468 H VAL 66 H VAL 66 4.743 3.594 3.557 469 HA VAL 66 HA VAL 66 2.721 5.564 3.223 470 HB VAL 66 HB VAL 66 2.300 2.675 4.005 471 HG11 VAL 66 HG11 VAL 66 0.338 4.178 4.135 472 HG12 VAL 66 HG12 VAL 66 0.557 4.565 2.426 473 HG13 VAL 66 HG13 VAL 66 0.164 2.914 2.916 474 HG21 VAL 66 HG21 VAL 66 3.402 3.822 1.575 475 HG22 VAL 66 HG22 VAL 66 3.320 2.135 2.091 476 HG23 VAL 66 HG23 VAL 66 1.948 2.875 1.267 477 H ARG 67 H ARG 67 1.376 6.517 4.642 478 HA ARG 67 HA ARG 67 1.982 6.321 7.449 479 HB2 ARG 67 HB3 ARG 67 1.460 8.493 6.642 480 HB3 ARG 67 HB2 ARG 67 -0.013 7.929 5.860 481 HG2 ARG 67 HG3 ARG 67 -0.558 9.187 7.843 482 HG3 ARG 67 HG2 ARG 67 -0.998 7.492 8.069 483 HD2 ARG 67 HD3 ARG 67 1.331 7.267 9.160 484 HD3 ARG 67 HD2 ARG 67 1.287 9.027 9.262 485 HE ARG 67 HE ARG 67 -0.247 7.146 10.829 486 HH11 ARG 67 HH11 ARG 67 -0.006 10.425 9.667 487 HH12 ARG 67 HH12 ARG 67 -0.980 11.086 10.940 488 HH21 ARG 67 HH21 ARG 67 -1.530 8.007 12.507 489 HH22 ARG 67 HH22 ARG 67 -1.847 9.710 12.554 490 H LEU 68 H LEU 68 0.809 5.395 9.058 491 HA LEU 68 HA LEU 68 -1.609 3.905 8.253 492 HB2 LEU 68 HB3 LEU 68 0.276 2.402 8.644 493 HB3 LEU 68 HB2 LEU 68 0.509 3.100 10.246 494 HG LEU 68 HG LEU 68 -0.671 0.812 10.017 495 HD11 LEU 68 HD11 LEU 68 -1.243 1.168 12.139 496 HD12 LEU 68 HD12 LEU 68 -2.441 2.384 11.691 497 HD13 LEU 68 HD13 LEU 68 -0.752 2.847 11.904 498 HD21 LEU 68 HD21 LEU 68 -3.182 2.387 9.768 499 HD22 LEU 68 HD22 LEU 68 -2.846 0.710 9.335 500 HD23 LEU 68 HD23 LEU 68 -2.290 2.019 8.294 501 H VAL 69 H VAL 69 -3.399 4.446 9.300 502 HA VAL 69 HA VAL 69 -3.278 5.282 12.092 503 HB VAL 69 HB VAL 69 -3.029 7.406 10.944 504 HG11 VAL 69 HG11 VAL 69 -4.058 6.634 8.796 505 HG12 VAL 69 HG12 VAL 69 -5.642 6.842 9.550 506 HG13 VAL 69 HG13 VAL 69 -4.580 8.233 9.329 507 HG21 VAL 69 HG21 VAL 69 -5.902 7.353 11.787 508 HG22 VAL 69 HG22 VAL 69 -4.621 7.041 12.961 509 HG23 VAL 69 HG23 VAL 69 -4.668 8.579 12.094 510 H GLU 70 H GLU 70 -4.868 4.321 13.164 511 HA GLU 70 HA GLU 70 -6.792 3.192 13.628 512 HB2 GLU 70 HB3 GLU 70 -7.861 4.948 11.408 513 HB3 GLU 70 HB2 GLU 70 -8.858 3.989 12.494 514 HG2 GLU 70 HG3 GLU 70 -7.502 5.340 14.328 515 HG3 GLU 70 HG2 GLU 70 -7.357 6.493 13.001 516 H GLY 71 H GLY 71 -4.919 2.256 11.455 517 HA2 GLY 71 HA3 GLY 71 -4.922 0.123 10.450 518 HA3 GLY 71 HA2 GLY 71 -6.681 0.136 10.475 519 H ILE 72 H ILE 72 -6.642 2.915 9.314 520 HA ILE 72 HA ILE 72 -6.627 2.065 6.545 521 HB ILE 72 HB ILE 72 -7.247 4.777 7.728 522 HG12 ILE 72 HG13 ILE 72 -9.501 3.345 6.635 523 HG13 ILE 72 HG12 ILE 72 -8.703 2.358 7.846 524 HG21 ILE 72 HG21 ILE 72 -7.084 3.769 4.982 525 HG22 ILE 72 HG22 ILE 72 -8.583 4.618 5.357 526 HG23 ILE 72 HG23 ILE 72 -7.029 5.424 5.593 527 HD11 ILE 72 HD11 ILE 72 -10.604 4.110 8.447 528 HD12 ILE 72 HD12 ILE 72 -9.273 3.737 9.547 529 HD13 ILE 72 HD13 ILE 72 -9.210 5.189 8.545 530 H LEU 73 H LEU 73 -4.969 2.262 5.205 531 HA LEU 73 HA LEU 73 -2.606 3.721 6.011 532 HB2 LEU 73 HB3 LEU 73 -3.312 1.924 3.723 533 HB3 LEU 73 HB2 LEU 73 -1.855 2.890 3.663 534 HG LEU 73 HG LEU 73 -1.332 0.650 4.390 535 HD11 LEU 73 HD11 LEU 73 -1.165 2.542 6.729 536 HD12 LEU 73 HD12 LEU 73 -0.072 2.551 5.349 537 HD13 LEU 73 HD13 LEU 73 -0.128 1.149 6.420 538 HD21 LEU 73 HD21 LEU 73 -3.215 1.149 6.694 539 HD22 LEU 73 HD22 LEU 73 -2.234 -0.295 6.432 540 HD23 LEU 73 HD23 LEU 73 -3.546 0.098 5.317 541 H HIS 74 H HIS 74 -2.267 5.788 5.584 542 HA HIS 74 HA HIS 74 -3.872 7.118 3.536 543 HB2 HIS 74 HB3 HIS 74 -3.814 8.268 5.630 544 HB3 HIS 74 HB2 HIS 74 -2.067 8.147 5.720 545 HD1 HIS 74 HD1 HIS 74 -4.436 9.577 3.094 546 HD2 HIS 74 HD2 HIS 74 -1.028 10.591 5.253 547 HE1 HIS 74 HE1 HIS 74 -3.797 11.883 2.310 548 HE2 HIS 74 HE2 HIS 74 -1.711 12.501 3.635 549 H ALA 75 H ALA 75 -3.095 7.943 1.672 550 HA ALA 75 HA ALA 75 -0.394 7.180 0.904 551 HB1 ALA 75 HB1 ALA 75 -1.720 6.675 -0.869 552 HB2 ALA 75 HB2 ALA 75 -1.680 6.692 -0.882 553 HB3 ALA 75 HB3 ALA 75 -1.345 8.367 -1.299 554 HA PRO 76 HA PRO 76 1.520 11.113 1.239 555 HB2 PRO 76 HB3 PRO 76 3.076 11.190 -0.989 556 HB3 PRO 76 HB2 PRO 76 3.427 10.147 0.396 557 HG2 PRO 76 HG3 PRO 76 2.103 9.469 -2.193 558 HG3 PRO 76 HG2 PRO 76 3.316 8.560 -1.300 559 HD2 PRO 76 HD3 PRO 76 0.686 7.933 -1.209 560 HD3 PRO 76 HD2 PRO 76 1.768 7.685 0.171 561 H ASP 77 H ASP 77 2.238 13.025 -0.407 562 HA ASP 77 HA ASP 77 -0.267 14.113 -1.334 563 HB2 ASP 77 HB3 ASP 77 1.698 15.359 -0.180 564 HB3 ASP 77 HB2 ASP 77 2.418 15.392 -1.790 565 H ALA 78 H ALA 78 1.828 12.003 -2.702 566 HA ALA 78 HA ALA 78 1.475 13.073 -5.423 567 HB1 ALA 78 HB1 ALA 78 3.556 11.399 -4.131 568 HB2 ALA 78 HB2 ALA 78 3.562 11.446 -4.124 569 HB3 ALA 78 HB3 ALA 78 3.692 12.641 -5.411 570 H GLY 79 H GLY 79 0.786 10.360 -3.319 571 HA2 GLY 79 HA3 GLY 79 -1.380 9.257 -3.882 572 HA3 GLY 79 HA2 GLY 79 -0.761 9.133 -5.515 573 H TRP 80 H TRP 80 -1.290 6.831 -5.188 574 HA TRP 80 HA TRP 80 0.453 5.350 -3.399 575 HB2 TRP 80 HB3 TRP 80 -1.676 4.483 -5.364 576 HB3 TRP 80 HB2 TRP 80 -0.713 3.355 -4.431 577 HD1 TRP 80 HD1 TRP 80 -3.902 5.131 -4.293 578 HE1 TRP 80 HE1 TRP 80 -4.888 5.110 -1.911 579 HE3 TRP 80 HE3 TRP 80 0.246 3.605 -1.726 580 HZ2 TRP 80 HZ2 TRP 80 -4.012 4.513 0.706 581 HZ3 TRP 80 HZ3 TRP 80 0.087 3.332 0.711 582 HH2 TRP 80 HH2 TRP 80 -1.997 3.779 1.902 583 H GLY 81 H GLY 81 -0.187 5.256 -6.919 584 HA2 GLY 81 HA3 GLY 81 1.382 5.147 -8.644 585 HA3 GLY 81 HA2 GLY 81 2.663 5.036 -7.444 586 H ASN 82 H ASN 82 3.535 3.393 -8.896 587 HA ASN 82 HA ASN 82 2.279 0.770 -8.398 588 HB2 ASN 82 HB3 ASN 82 3.948 1.179 -10.840 589 HB3 ASN 82 HB2 ASN 82 2.606 0.068 -10.571 590 HD21 ASN 82 HD21 ASN 82 0.667 0.604 -11.318 591 HD22 ASN 82 HD22 ASN 82 0.229 2.162 -11.944 592 H LEU 83 H LEU 83 4.211 2.003 -6.745 593 HA LEU 83 HA LEU 83 6.771 0.772 -7.390 594 HB2 LEU 83 HB3 LEU 83 7.387 1.758 -5.113 595 HB3 LEU 83 HB2 LEU 83 7.042 2.871 -6.434 596 HG LEU 83 HG LEU 83 4.807 3.275 -5.502 597 HD11 LEU 83 HD11 LEU 83 5.735 1.390 -3.341 598 HD12 LEU 83 HD12 LEU 83 4.355 1.193 -4.420 599 HD13 LEU 83 HD13 LEU 83 4.337 2.458 -3.196 600 HD21 LEU 83 HD21 LEU 83 5.494 4.625 -3.652 601 HD22 LEU 83 HD22 LEU 83 6.783 4.653 -4.854 602 HD23 LEU 83 HD23 LEU 83 6.947 3.651 -3.411 603 H VAL 84 H VAL 84 7.824 -0.115 -5.136 604 HA VAL 84 HA VAL 84 6.107 -2.402 -4.441 605 HB VAL 84 HB VAL 84 9.090 -2.108 -4.036 606 HG11 VAL 84 HG11 VAL 84 7.835 -3.701 -2.544 607 HG12 VAL 84 HG12 VAL 84 7.421 -4.614 -3.997 608 HG13 VAL 84 HG13 VAL 84 9.108 -4.427 -3.523 609 HG21 VAL 84 HG21 VAL 84 7.521 -2.779 -6.394 610 HG22 VAL 84 HG22 VAL 84 9.238 -2.394 -6.248 611 HG23 VAL 84 HG23 VAL 84 8.675 -4.043 -5.961 612 H TYR 85 H TYR 85 5.506 -2.825 -2.385 613 HA TYR 85 HA TYR 85 6.240 -0.827 -0.358 614 HB2 TYR 85 HB3 TYR 85 4.175 -1.150 0.626 615 HB3 TYR 85 HB2 TYR 85 3.782 -1.425 -1.047 616 HD1 TYR 85 HD1 TYR 85 3.270 -3.670 -1.861 617 HD2 TYR 85 HD2 TYR 85 4.199 -2.984 2.231 618 HE1 TYR 85 HE1 TYR 85 2.383 -5.892 -1.295 619 HE2 TYR 85 HE2 TYR 85 3.314 -5.204 2.810 620 HH TYR 85 HH TYR 85 2.597 -7.171 1.994 621 H VAL 86 H VAL 86 6.944 -1.420 1.688 622 HA VAL 86 HA VAL 86 8.003 -4.166 1.863 623 HB VAL 86 HB VAL 86 8.901 -1.664 3.305 624 HG11 VAL 86 HG11 VAL 86 9.954 -4.492 3.403 625 HG12 VAL 86 HG12 VAL 86 10.788 -3.084 4.070 626 HG13 VAL 86 HG13 VAL 86 9.227 -3.579 4.727 627 HG21 VAL 86 HG21 VAL 86 9.602 -2.845 0.752 628 HG22 VAL 86 HG22 VAL 86 10.043 -1.276 1.431 629 HG23 VAL 86 HG23 VAL 86 11.004 -2.705 1.817 630 H VAL 87 H VAL 87 7.326 -5.512 3.414 631 HA VAL 87 HA VAL 87 5.193 -4.657 5.167 632 HB VAL 87 HB VAL 87 6.483 -7.359 5.318 633 HG11 VAL 87 HG11 VAL 87 4.656 -7.914 6.472 634 HG12 VAL 87 HG12 VAL 87 4.298 -6.186 6.550 635 HG13 VAL 87 HG13 VAL 87 3.582 -7.179 5.277 636 HG21 VAL 87 HG21 VAL 87 6.205 -7.556 3.094 637 HG22 VAL 87 HG22 VAL 87 4.500 -7.753 3.505 638 HG23 VAL 87 HG23 VAL 87 5.110 -6.177 3.001 639 H ASN 88 H ASN 88 5.314 -4.201 7.286 640 HA ASN 88 HA ASN 88 7.667 -5.011 8.819 641 HB2 ASN 88 HB3 ASN 88 8.203 -2.806 9.573 642 HB3 ASN 88 HB2 ASN 88 8.119 -2.736 7.815 643 HD21 ASN 88 HD21 ASN 88 6.983 -1.151 6.975 644 HD22 ASN 88 HD22 ASN 88 5.753 -0.237 7.790 645 H TYR 89 H TYR 89 7.273 -5.312 10.972 646 HA TYR 89 HA TYR 89 4.924 -4.259 12.256 647 HB2 TYR 89 HB3 TYR 89 4.188 -6.714 12.828 648 HB3 TYR 89 HB2 TYR 89 3.656 -5.959 11.330 649 HD1 TYR 89 HD2 TYR 89 6.900 -7.567 12.242 650 HD2 TYR 89 HD1 TYR 89 3.453 -7.640 9.747 651 HE1 TYR 89 HE2 TYR 89 7.874 -9.426 10.963 652 HE2 TYR 89 HE1 TYR 89 4.416 -9.500 8.462 653 HH TYR 89 HH TYR 89 6.926 -10.329 8.017 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -36.281 7.353 -9.339 2 H2 MET 1 H2 MET 1 -35.486 6.036 -9.947 3 H3 MET 1 H3 MET 1 -34.642 7.402 -9.559 4 HA MET 1 HA MET 1 -35.367 6.797 -11.974 5 HB2 MET 1 HB3 MET 1 -37.344 7.986 -12.598 6 HB3 MET 1 HB2 MET 1 -37.765 6.952 -11.237 7 HG2 MET 1 HG3 MET 1 -37.487 8.927 -9.742 8 HG3 MET 1 HG2 MET 1 -37.264 9.919 -11.183 9 HE1 MET 1 HE1 MET 1 -40.158 9.931 -13.119 10 HE2 MET 1 HE2 MET 1 -40.172 11.257 -11.954 11 HE3 MET 1 HE3 MET 1 -38.639 10.667 -12.600 12 H ALA 2 H ALA 2 -35.102 9.331 -9.578 13 HA ALA 2 HA ALA 2 -33.818 11.081 -11.575 14 HB1 ALA 2 HB1 ALA 2 -35.279 12.544 -10.685 15 HB2 ALA 2 HB2 ALA 2 -35.235 12.566 -10.685 16 HB3 ALA 2 HB3 ALA 2 -34.093 12.631 -9.348 17 H GLY 3 H GLY 3 -31.684 10.767 -11.631 18 HA2 GLY 3 HA3 GLY 3 -30.263 10.072 -9.160 19 HA3 GLY 3 HA2 GLY 3 -29.617 9.968 -10.793 20 H SER 4 H SER 4 -30.995 12.523 -8.711 21 HA SER 4 HA SER 4 -28.805 14.284 -9.604 22 HB2 SER 4 HB3 SER 4 -30.211 16.118 -9.322 23 HB3 SER 4 HB2 SER 4 -31.342 14.877 -9.871 24 HG SER 4 HG SER 4 -32.236 14.808 -7.937 25 H HIS 5 H HIS 5 -30.459 13.003 -6.778 26 HA HIS 5 HA HIS 5 -28.482 14.319 -5.036 27 HB2 HIS 5 HB3 HIS 5 -31.101 14.401 -4.702 28 HB3 HIS 5 HB2 HIS 5 -30.841 12.824 -3.959 29 HD1 HIS 5 HD1 HIS 5 -28.761 16.000 -3.652 30 HD2 HIS 5 HD2 HIS 5 -30.936 13.343 -1.303 31 HE1 HIS 5 HE1 HIS 5 -28.403 16.748 -1.273 32 HE2 HIS 5 HE2 HIS 5 -29.737 15.119 0.161 33 H HIS 6 H HIS 6 -27.802 12.045 -6.663 34 HA HIS 6 HA HIS 6 -27.498 9.918 -4.644 35 HB2 HIS 6 HB3 HIS 6 -27.471 9.922 -7.649 36 HB3 HIS 6 HB2 HIS 6 -26.691 8.617 -6.757 37 HD1 HIS 6 HD1 HIS 6 -29.102 8.024 -8.549 38 HD2 HIS 6 HD2 HIS 6 -29.381 8.871 -4.483 39 HE1 HIS 6 HE1 HIS 6 -31.282 7.013 -7.793 40 HE2 HIS 6 HE2 HIS 6 -31.447 7.533 -5.303 41 H HIS 7 H HIS 7 -25.733 12.044 -6.816 42 HA HIS 7 HA HIS 7 -23.344 11.723 -5.219 43 HB2 HIS 7 HB3 HIS 7 -21.943 11.217 -7.284 44 HB3 HIS 7 HB2 HIS 7 -22.912 9.886 -6.656 45 HD1 HIS 7 HD1 HIS 7 -23.495 8.577 -8.687 46 HD2 HIS 7 HD2 HIS 7 -24.105 12.658 -9.219 47 HE1 HIS 7 HE1 HIS 7 -24.595 8.811 -10.941 48 HE2 HIS 7 HE2 HIS 7 -24.966 11.312 -11.262 49 H HIS 8 H HIS 8 -21.557 13.164 -6.063 50 HA HIS 8 HA HIS 8 -22.776 15.632 -7.122 51 HB2 HIS 8 HB3 HIS 8 -20.223 15.312 -5.524 52 HB3 HIS 8 HB2 HIS 8 -20.960 16.835 -6.016 53 HD1 HIS 8 HD1 HIS 8 -20.498 16.512 -3.091 54 HD2 HIS 8 HD2 HIS 8 -23.972 15.173 -4.949 55 HE1 HIS 8 HE1 HIS 8 -22.234 16.380 -1.270 56 HE2 HIS 8 HE2 HIS 8 -24.360 15.559 -2.413 57 H HIS 9 H HIS 9 -21.475 16.971 -8.543 58 HA HIS 9 HA HIS 9 -19.870 15.315 -10.365 59 HB2 HIS 9 HB3 HIS 9 -20.247 17.149 -12.001 60 HB3 HIS 9 HB2 HIS 9 -21.747 16.436 -11.413 61 HD1 HIS 9 HD1 HIS 9 -23.370 17.952 -10.199 62 HD2 HIS 9 HD2 HIS 9 -19.720 19.779 -11.005 63 HE1 HIS 9 HE1 HIS 9 -23.697 20.392 -9.657 64 HE2 HIS 9 HE2 HIS 9 -21.458 21.504 -10.153 65 H HIS 10 H HIS 10 -19.730 18.137 -8.313 66 HA HIS 10 HA HIS 10 -17.265 19.165 -9.301 67 HB2 HIS 10 HB3 HIS 10 -18.926 19.601 -6.848 68 HB3 HIS 10 HB2 HIS 10 -17.270 20.203 -6.870 69 HD1 HIS 10 HD1 HIS 10 -17.057 21.291 -9.701 70 HD2 HIS 10 HD2 HIS 10 -20.395 21.839 -7.277 71 HE1 HIS 10 HE1 HIS 10 -18.220 23.337 -10.600 72 HE2 HIS 10 HE2 HIS 10 -20.264 23.669 -9.113 73 H GLY 11 H GLY 11 -18.109 16.658 -7.041 74 HA2 GLY 11 HA3 GLY 11 -15.722 16.490 -5.574 75 HA3 GLY 11 HA2 GLY 11 -16.824 15.151 -5.876 76 H SER 12 H SER 12 -14.022 14.892 -5.710 77 HA SER 12 HA SER 12 -13.168 14.508 -8.493 78 HB2 SER 12 HB3 SER 12 -11.404 14.002 -6.116 79 HB3 SER 12 HB2 SER 12 -10.961 14.530 -7.742 80 HG SER 12 HG SER 12 -10.853 16.220 -6.165 81 H MET 13 H MET 13 -12.646 12.531 -9.337 82 HA MET 13 HA MET 13 -13.990 10.268 -8.396 83 HB2 MET 13 HB3 MET 13 -12.731 9.017 -10.072 84 HB3 MET 13 HB2 MET 13 -13.281 10.553 -10.731 85 HG2 MET 13 HG3 MET 13 -10.950 11.426 -10.085 86 HG3 MET 13 HG2 MET 13 -10.513 9.722 -9.953 87 HE1 MET 13 HE1 MET 13 -8.857 9.899 -13.284 88 HE2 MET 13 HE2 MET 13 -8.642 10.250 -11.567 89 HE3 MET 13 HE3 MET 13 -9.253 8.674 -12.077 90 H SER 14 H SER 14 -12.812 8.111 -7.991 91 HA SER 14 HA SER 14 -10.959 8.566 -5.760 92 HB2 SER 14 HB3 SER 14 -11.509 6.201 -5.156 93 HB3 SER 14 HB2 SER 14 -12.918 7.264 -5.192 94 HG SER 14 HG SER 14 -13.616 5.616 -6.372 95 H GLU 15 H GLU 15 -8.964 7.591 -5.610 96 HA GLU 15 HA GLU 15 -7.871 6.630 -8.157 97 HB2 GLU 15 HB3 GLU 15 -6.883 8.444 -6.407 98 HB3 GLU 15 HB2 GLU 15 -6.090 6.987 -5.816 99 HG2 GLU 15 HG3 GLU 15 -4.859 6.708 -7.729 100 HG3 GLU 15 HG2 GLU 15 -6.017 7.583 -8.733 101 H TYR 16 H TYR 16 -5.865 5.043 -7.601 102 HA TYR 16 HA TYR 16 -6.931 2.880 -5.903 103 HB2 TYR 16 HB3 TYR 16 -6.125 1.247 -7.588 104 HB3 TYR 16 HB2 TYR 16 -7.403 2.283 -8.209 105 HD1 TYR 16 HD1 TYR 16 -6.911 4.005 -9.883 106 HD2 TYR 16 HD2 TYR 16 -3.878 1.369 -8.471 107 HE1 TYR 16 HE1 TYR 16 -5.484 4.634 -11.785 108 HE2 TYR 16 HE2 TYR 16 -2.447 1.994 -10.368 109 HH TYR 16 HH TYR 16 -2.515 2.958 -12.490 110 H ILE 17 H ILE 17 -5.213 1.182 -5.460 111 HA ILE 17 HA ILE 17 -2.599 2.507 -5.079 112 HB ILE 17 HB ILE 17 -3.601 2.314 -2.924 113 HG12 ILE 17 HG13 ILE 17 -1.672 0.023 -3.318 114 HG13 ILE 17 HG12 ILE 17 -1.221 1.687 -3.061 115 HG21 ILE 17 HG21 ILE 17 -5.190 0.814 -2.548 116 HG22 ILE 17 HG22 ILE 17 -4.769 -0.050 -4.023 117 HG23 ILE 17 HG23 ILE 17 -3.961 -0.448 -2.511 118 HD11 ILE 17 HD11 ILE 17 -2.384 1.579 -0.853 119 HD12 ILE 17 HD12 ILE 17 -2.561 -0.157 -1.115 120 HD13 ILE 17 HD13 ILE 17 -0.953 0.557 -1.002 121 H ARG 18 H ARG 18 -0.954 1.548 -6.060 122 HA ARG 18 HA ARG 18 -1.183 -1.329 -6.690 123 HB2 ARG 18 HB3 ARG 18 -0.498 0.979 -8.375 124 HB3 ARG 18 HB2 ARG 18 0.622 -0.361 -8.506 125 HG2 ARG 18 HG3 ARG 18 -1.750 -1.657 -8.671 126 HG3 ARG 18 HG2 ARG 18 -2.139 -0.115 -9.436 127 HD2 ARG 18 HD3 ARG 18 0.410 -1.027 -10.366 128 HD3 ARG 18 HD2 ARG 18 -0.771 -2.326 -10.542 129 HE ARG 18 HE ARG 18 -2.061 -0.165 -11.555 130 HH11 ARG 18 HH11 ARG 18 1.051 -1.615 -12.162 131 HH12 ARG 18 HH12 ARG 18 1.101 -1.124 -13.823 132 HH21 ARG 18 HH21 ARG 18 -2.004 0.486 -13.740 133 HH22 ARG 18 HH22 ARG 18 -0.636 0.071 -14.720 134 H VAL 19 H VAL 19 0.050 -2.319 -5.212 135 HA VAL 19 HA VAL 19 2.891 -1.631 -5.131 136 HB VAL 19 HB VAL 19 2.867 -1.925 -2.612 137 HG11 VAL 19 HG11 VAL 19 2.688 0.307 -4.182 138 HG12 VAL 19 HG12 VAL 19 1.369 0.551 -3.033 139 HG13 VAL 19 HG13 VAL 19 3.018 0.304 -2.450 140 HG21 VAL 19 HG21 VAL 19 0.784 -1.400 -1.452 141 HG22 VAL 19 HG22 VAL 19 -0.070 -1.330 -2.996 142 HG23 VAL 19 HG23 VAL 19 0.609 -2.860 -2.429 143 H THR 20 H THR 20 4.243 -3.330 -4.423 144 HA THR 20 HA THR 20 2.913 -5.961 -4.213 145 HB THR 20 HB THR 20 3.771 -6.063 -6.379 146 HG1 THR 20 HG1 THR 20 4.707 -7.870 -5.782 147 HG21 THR 20 HG21 THR 20 6.089 -4.488 -5.300 148 HG22 THR 20 HG22 THR 20 5.001 -4.085 -6.628 149 HG23 THR 20 HG23 THR 20 6.204 -5.360 -6.827 150 H GLU 21 H GLU 21 4.156 -7.614 -3.120 151 HA GLU 21 HA GLU 21 5.548 -6.536 -0.829 152 HB2 GLU 21 HB3 GLU 21 4.252 -9.041 -1.555 153 HB3 GLU 21 HB2 GLU 21 5.761 -9.300 -0.726 154 HG2 GLU 21 HG3 GLU 21 4.729 -7.444 0.888 155 HG3 GLU 21 HG2 GLU 21 3.242 -8.151 0.271 156 H ASP 22 H ASP 22 6.358 -8.781 -3.471 157 HA ASP 22 HA ASP 22 9.197 -8.502 -2.775 158 HB2 ASP 22 HB3 ASP 22 7.751 -10.483 -4.544 159 HB3 ASP 22 HB2 ASP 22 9.505 -10.419 -4.375 160 H GLU 23 H GLU 23 10.746 -8.346 -4.611 161 HA GLU 23 HA GLU 23 9.882 -6.222 -6.396 162 HB2 GLU 23 HB3 GLU 23 12.236 -5.999 -6.960 163 HB3 GLU 23 HB2 GLU 23 12.038 -6.063 -5.212 164 HG2 GLU 23 HG3 GLU 23 12.471 -8.643 -5.632 165 HG3 GLU 23 HG2 GLU 23 13.296 -8.012 -7.058 166 H ASN 24 H ASN 24 10.669 -9.612 -6.538 167 HA ASN 24 HA ASN 24 11.084 -9.793 -9.342 168 HB2 ASN 24 HB3 ASN 24 11.791 -11.527 -7.693 169 HB3 ASN 24 HB2 ASN 24 10.096 -11.950 -7.458 170 HD21 ASN 24 HD21 ASN 24 12.208 -11.317 -10.249 171 HD22 ASN 24 HD22 ASN 24 11.770 -12.755 -11.117 172 H ASP 25 H ASP 25 8.249 -9.645 -7.348 173 HA ASP 25 HA ASP 25 6.513 -10.476 -9.554 174 HB2 ASP 25 HB3 ASP 25 6.221 -11.179 -7.074 175 HB3 ASP 25 HB2 ASP 25 5.559 -9.559 -6.851 176 H GLU 26 H GLU 26 4.576 -9.137 -10.023 177 HA GLU 26 HA GLU 26 5.401 -6.365 -10.372 178 HB2 GLU 26 HB3 GLU 26 3.319 -8.137 -11.574 179 HB3 GLU 26 HB2 GLU 26 3.057 -6.399 -11.617 180 HG2 GLU 26 HG3 GLU 26 5.221 -6.116 -12.747 181 HG3 GLU 26 HG2 GLU 26 5.432 -7.869 -12.744 182 HA PRO 27 HA PRO 27 2.861 -4.561 -7.284 183 HB2 PRO 27 HB3 PRO 27 1.944 -2.333 -8.516 184 HB3 PRO 27 HB2 PRO 27 3.617 -2.512 -7.999 185 HG2 PRO 27 HG3 PRO 27 2.432 -2.880 -10.726 186 HG3 PRO 27 HG2 PRO 27 3.943 -2.076 -10.262 187 HD2 PRO 27 HD3 PRO 27 3.880 -4.593 -11.256 188 HD3 PRO 27 HD2 PRO 27 5.093 -4.065 -10.069 189 H ILE 28 H ILE 28 1.013 -5.482 -6.658 190 HA ILE 28 HA ILE 28 -1.107 -6.087 -8.500 191 HB ILE 28 HB ILE 28 -0.730 -7.611 -6.678 192 HG12 ILE 28 HG13 ILE 28 -2.999 -7.688 -5.672 193 HG13 ILE 28 HG12 ILE 28 -3.305 -6.065 -6.281 194 HG21 ILE 28 HG21 ILE 28 -1.286 -6.824 -4.315 195 HG22 ILE 28 HG22 ILE 28 0.255 -6.304 -4.998 196 HG23 ILE 28 HG23 ILE 28 -1.112 -5.187 -4.946 197 HD11 ILE 28 HD11 ILE 28 -4.345 -7.560 -7.779 198 HD12 ILE 28 HD12 ILE 28 -2.891 -6.980 -8.592 199 HD13 ILE 28 HD13 ILE 28 -2.913 -8.587 -7.864 200 H GLU 29 H GLU 29 -3.012 -5.059 -8.817 201 HA GLU 29 HA GLU 29 -3.281 -2.403 -7.601 202 HB2 GLU 29 HB3 GLU 29 -5.030 -2.083 -9.396 203 HB3 GLU 29 HB2 GLU 29 -3.385 -2.324 -9.973 204 HG2 GLU 29 HG3 GLU 29 -4.959 -4.786 -9.715 205 HG3 GLU 29 HG2 GLU 29 -5.567 -3.637 -10.907 206 H ILE 30 H ILE 30 -4.612 -2.118 -5.953 207 HA ILE 30 HA ILE 30 -6.997 -3.851 -5.754 208 HB ILE 30 HB ILE 30 -6.635 -3.311 -3.175 209 HG12 ILE 30 HG13 ILE 30 -3.775 -3.693 -3.979 210 HG13 ILE 30 HG12 ILE 30 -4.446 -2.080 -3.966 211 HG21 ILE 30 HG21 ILE 30 -5.510 -5.508 -2.970 212 HG22 ILE 30 HG22 ILE 30 -6.886 -5.533 -4.074 213 HG23 ILE 30 HG23 ILE 30 -5.242 -5.499 -4.715 214 HD11 ILE 30 HD11 ILE 30 -5.086 -2.396 -1.604 215 HD12 ILE 30 HD12 ILE 30 -4.283 -3.968 -1.639 216 HD13 ILE 30 HD13 ILE 30 -3.347 -2.491 -1.885 217 HA PRO 31 HA PRO 31 -9.439 -0.237 -5.278 218 HB2 PRO 31 HB3 PRO 31 -11.282 -1.024 -3.443 219 HB3 PRO 31 HB2 PRO 31 -11.270 -1.617 -5.112 220 HG2 PRO 31 HG3 PRO 31 -10.222 -2.922 -2.627 221 HG3 PRO 31 HG2 PRO 31 -11.149 -3.636 -3.961 222 HD2 PRO 31 HD3 PRO 31 -8.466 -3.912 -3.741 223 HD3 PRO 31 HD2 PRO 31 -9.293 -3.836 -5.312 224 H SER 32 H SER 32 -9.714 1.594 -4.029 225 HA SER 32 HA SER 32 -8.680 1.511 -1.272 226 HB2 SER 32 HB3 SER 32 -7.269 3.364 -1.590 227 HB3 SER 32 HB2 SER 32 -7.005 2.391 -3.037 228 HG SER 32 HG SER 32 -7.337 4.616 -3.517 229 H GLU 33 H GLU 33 -9.011 3.992 -0.424 230 HA GLU 33 HA GLU 33 -11.897 4.299 -0.440 231 HB2 GLU 33 HB3 GLU 33 -9.655 5.508 1.157 232 HB3 GLU 33 HB2 GLU 33 -11.273 6.195 1.219 233 HG2 GLU 33 HG3 GLU 33 -11.980 3.730 1.732 234 HG3 GLU 33 HG2 GLU 33 -10.289 3.563 2.211 235 H ASP 34 H ASP 34 -12.760 6.616 -0.455 236 HA ASP 34 HA ASP 34 -12.079 7.771 -2.994 237 HB2 ASP 34 HB3 ASP 34 -13.909 9.306 -2.578 238 HB3 ASP 34 HB2 ASP 34 -14.406 7.675 -2.127 239 H ASP 35 H ASP 35 -11.389 8.480 0.354 240 HA ASP 35 HA ASP 35 -10.467 11.151 -0.072 241 HB2 ASP 35 HB3 ASP 35 -9.758 9.285 2.199 242 HB3 ASP 35 HB2 ASP 35 -9.653 11.045 2.200 243 H GLY 36 H GLY 36 -9.138 8.066 -0.666 244 HA2 GLY 36 HA3 GLY 36 -7.146 8.097 -2.116 245 HA3 GLY 36 HA2 GLY 36 -6.471 9.298 -1.037 246 H THR 37 H THR 37 -7.703 7.683 1.254 247 HA THR 37 HA THR 37 -5.337 6.142 1.793 248 HB THR 37 HB THR 37 -6.271 5.688 3.941 249 HG1 THR 37 HG1 THR 37 -8.767 6.688 2.980 250 HG21 THR 37 HG21 THR 37 -7.533 8.266 3.930 251 HG22 THR 37 HG22 THR 37 -6.103 8.304 2.896 252 HG23 THR 37 HG23 THR 37 -5.958 7.801 4.582 253 H VAL 38 H VAL 38 -6.027 3.898 3.040 254 HA VAL 38 HA VAL 38 -7.755 2.345 1.244 255 HB VAL 38 HB VAL 38 -4.862 1.711 1.832 256 HG11 VAL 38 HG11 VAL 38 -5.684 -0.395 2.100 257 HG12 VAL 38 HG12 VAL 38 -7.129 -0.079 1.130 258 HG13 VAL 38 HG13 VAL 38 -5.576 -0.365 0.338 259 HG21 VAL 38 HG21 VAL 38 -6.185 1.630 -0.848 260 HG22 VAL 38 HG22 VAL 38 -5.685 3.174 -0.160 261 HG23 VAL 38 HG23 VAL 38 -4.489 1.911 -0.438 262 H LEU 39 H LEU 39 -9.155 1.263 2.449 263 HA LEU 39 HA LEU 39 -9.060 1.055 5.226 264 HB2 LEU 39 HB3 LEU 39 -10.934 0.579 3.355 265 HB3 LEU 39 HB2 LEU 39 -10.494 -1.079 3.763 266 HG LEU 39 HG LEU 39 -11.026 -0.581 6.139 267 HD11 LEU 39 HD11 LEU 39 -11.304 1.505 6.832 268 HD12 LEU 39 HD12 LEU 39 -12.681 1.699 5.747 269 HD13 LEU 39 HD13 LEU 39 -11.055 2.086 5.185 270 HD21 LEU 39 HD21 LEU 39 -12.700 -1.253 4.104 271 HD22 LEU 39 HD22 LEU 39 -13.523 0.155 4.777 272 HD23 LEU 39 HD23 LEU 39 -13.152 -1.229 5.811 273 H LEU 40 H LEU 40 -8.527 -0.585 6.653 274 HA LEU 40 HA LEU 40 -6.267 -2.137 6.026 275 HB2 LEU 40 HB3 LEU 40 -7.437 -1.357 8.312 276 HB3 LEU 40 HB2 LEU 40 -8.008 -3.026 8.253 277 HG LEU 40 HG LEU 40 -5.091 -2.280 8.083 278 HD11 LEU 40 HD11 LEU 40 -6.752 -1.955 10.309 279 HD12 LEU 40 HD12 LEU 40 -4.986 -1.974 10.277 280 HD13 LEU 40 HD13 LEU 40 -5.880 -3.463 10.585 281 HD21 LEU 40 HD21 LEU 40 -5.294 -4.775 9.166 282 HD22 LEU 40 HD22 LEU 40 -5.008 -4.432 7.458 283 HD23 LEU 40 HD23 LEU 40 -6.645 -4.763 8.034 284 H SER 41 H SER 41 -9.603 -2.714 5.511 285 HA SER 41 HA SER 41 -9.613 -5.547 5.574 286 HB2 SER 41 HB3 SER 41 -11.640 -4.016 5.579 287 HB3 SER 41 HB2 SER 41 -11.384 -3.808 3.843 288 HG SER 41 HG SER 41 -12.363 -5.979 5.249 289 H THR 42 H THR 42 -8.889 -3.194 3.052 290 HA THR 42 HA THR 42 -8.662 -5.165 0.970 291 HB THR 42 HB THR 42 -7.522 -2.369 0.917 292 HG1 THR 42 HG1 THR 42 -9.494 -1.612 0.672 293 HG21 THR 42 HG21 THR 42 -8.131 -4.479 -1.093 294 HG22 THR 42 HG22 THR 42 -6.791 -3.333 -1.026 295 HG23 THR 42 HG23 THR 42 -8.384 -2.798 -1.558 296 H VAL 43 H VAL 43 -6.463 -3.538 3.180 297 HA VAL 43 HA VAL 43 -4.039 -4.299 1.931 298 HB VAL 43 HB VAL 43 -4.728 -3.533 4.768 299 HG11 VAL 43 HG11 VAL 43 -2.933 -4.902 5.236 300 HG12 VAL 43 HG12 VAL 43 -2.153 -4.594 3.680 301 HG13 VAL 43 HG13 VAL 43 -2.128 -3.359 4.941 302 HG21 VAL 43 HG21 VAL 43 -3.728 -2.182 2.354 303 HG22 VAL 43 HG22 VAL 43 -4.647 -1.542 3.717 304 HG23 VAL 43 HG23 VAL 43 -2.900 -1.747 3.850 305 H THR 44 H THR 44 -6.163 -5.930 4.202 306 HA THR 44 HA THR 44 -4.294 -8.084 4.685 307 HB THR 44 HB THR 44 -6.044 -9.101 6.013 308 HG1 THR 44 HG1 THR 44 -8.138 -8.361 5.970 309 HG21 THR 44 HG21 THR 44 -5.526 -7.661 7.633 310 HG22 THR 44 HG22 THR 44 -6.728 -6.529 7.012 311 HG23 THR 44 HG23 THR 44 -5.064 -6.459 6.425 312 H ALA 45 H ALA 45 -6.541 -7.300 2.267 313 HA ALA 45 HA ALA 45 -7.451 -9.883 1.541 314 HB1 ALA 45 HB1 ALA 45 -8.589 -8.815 -0.078 315 HB2 ALA 45 HB2 ALA 45 -8.557 -8.828 -0.109 316 HB3 ALA 45 HB3 ALA 45 -7.137 -7.930 -0.635 317 H GLN 46 H GLN 46 -4.681 -7.931 0.489 318 HA GLN 46 HA GLN 46 -3.652 -10.301 -0.939 319 HB2 GLN 46 HB3 GLN 46 -2.955 -7.390 -1.386 320 HB3 GLN 46 HB2 GLN 46 -2.334 -8.752 -2.296 321 HG2 GLN 46 HG3 GLN 46 -5.262 -8.116 -2.153 322 HG3 GLN 46 HG2 GLN 46 -4.194 -7.405 -3.362 323 HE21 GLN 46 HE21 GLN 46 -6.503 -9.327 -3.492 324 HE22 GLN 46 HE22 GLN 46 -5.902 -10.662 -4.422 325 H PHE 47 H PHE 47 -3.089 -8.013 1.582 326 HA PHE 47 HA PHE 47 -0.509 -9.324 2.148 327 HB2 PHE 47 HB3 PHE 47 -0.924 -6.460 2.897 328 HB3 PHE 47 HB2 PHE 47 0.561 -7.322 2.601 329 HD1 PHE 47 HD2 PHE 47 0.480 -8.388 0.025 330 HD2 PHE 47 HD1 PHE 47 -1.295 -4.770 1.403 331 HE1 PHE 47 HE2 PHE 47 0.534 -7.494 -2.265 332 HE2 PHE 47 HE1 PHE 47 -1.241 -3.868 -0.887 333 HZ PHE 47 HZ PHE 47 -0.329 -5.226 -2.725 334 HA PRO 48 HA PRO 48 -3.389 -9.692 5.760 335 HB2 PRO 48 HB3 PRO 48 -2.796 -12.297 6.255 336 HB3 PRO 48 HB2 PRO 48 -4.037 -11.794 5.102 337 HG2 PRO 48 HG3 PRO 48 -1.213 -12.651 4.592 338 HG3 PRO 48 HG2 PRO 48 -2.689 -13.083 3.713 339 HD2 PRO 48 HD3 PRO 48 -0.964 -11.201 2.818 340 HD3 PRO 48 HD2 PRO 48 -2.713 -11.109 2.519 341 H GLY 49 H GLY 49 -2.630 -8.949 7.633 342 HA2 GLY 49 HA3 GLY 49 -1.342 -9.104 9.601 343 HA3 GLY 49 HA2 GLY 49 -0.185 -10.107 8.754 344 H ALA 50 H ALA 50 -0.970 -7.474 6.856 345 HA ALA 50 HA ALA 50 1.616 -6.264 7.339 346 HB1 ALA 50 HB1 ALA 50 0.619 -4.642 5.506 347 HB2 ALA 50 HB2 ALA 50 0.575 -4.644 5.515 348 HB3 ALA 50 HB3 ALA 50 -0.515 -6.000 5.286 349 H CYS 51 H CYS 51 1.931 -4.802 8.864 350 HA CYS 51 HA CYS 51 -0.333 -3.156 9.761 351 HB2 CYS 51 HB3 CYS 51 1.299 -4.569 11.292 352 HB3 CYS 51 HB2 CYS 51 2.314 -3.145 11.146 353 HG CYS 51 HG CYS 51 0.397 -1.400 12.216 354 H GLY 52 H GLY 52 3.135 -2.808 8.979 355 HA2 GLY 52 HA3 GLY 52 2.548 -0.026 8.183 356 HA3 GLY 52 HA2 GLY 52 4.023 -0.476 8.981 357 H LEU 53 H LEU 53 2.945 0.494 6.141 358 HA LEU 53 HA LEU 53 4.740 -1.276 4.601 359 HB2 LEU 53 HB3 LEU 53 2.561 0.423 3.421 360 HB3 LEU 53 HB2 LEU 53 3.428 -0.910 2.673 361 HG LEU 53 HG LEU 53 1.353 -1.832 3.096 362 HD11 LEU 53 HD11 LEU 53 1.867 -3.603 4.390 363 HD12 LEU 53 HD12 LEU 53 2.353 -2.607 5.760 364 HD13 LEU 53 HD13 LEU 53 3.465 -2.862 4.416 365 HD21 LEU 53 HD21 LEU 53 -0.107 -1.276 4.789 366 HD22 LEU 53 HD22 LEU 53 0.776 0.240 4.584 367 HD23 LEU 53 HD23 LEU 53 1.184 -0.849 5.914 368 H ARG 54 H ARG 54 6.341 -0.392 3.386 369 HA ARG 54 HA ARG 54 6.682 2.532 3.610 370 HB2 ARG 54 HB3 ARG 54 8.423 0.410 4.276 371 HB3 ARG 54 HB2 ARG 54 9.104 1.176 2.854 372 HG2 ARG 54 HG3 ARG 54 9.303 3.255 3.938 373 HG3 ARG 54 HG2 ARG 54 8.246 2.752 5.262 374 HD2 ARG 54 HD3 ARG 54 10.191 2.396 6.341 375 HD3 ARG 54 HD2 ARG 54 10.181 0.876 5.442 376 HE ARG 54 HE ARG 54 11.420 2.873 3.886 377 HH11 ARG 54 HH11 ARG 54 11.955 0.961 6.753 378 HH12 ARG 54 HH12 ARG 54 13.684 0.988 6.605 379 HH21 ARG 54 HH21 ARG 54 13.692 2.913 3.684 380 HH22 ARG 54 HH22 ARG 54 14.669 2.099 4.861 381 H TYR 55 H TYR 55 8.140 3.420 1.803 382 HA TYR 55 HA TYR 55 7.061 2.424 -0.750 383 HB2 TYR 55 HB3 TYR 55 7.881 5.117 0.236 384 HB3 TYR 55 HB2 TYR 55 7.991 4.787 -1.477 385 HD1 TYR 55 HD2 TYR 55 5.633 3.136 -1.970 386 HD2 TYR 55 HD1 TYR 55 6.075 6.552 0.525 387 HE1 TYR 55 HE2 TYR 55 3.234 3.620 -2.217 388 HE2 TYR 55 HE1 TYR 55 3.680 7.043 0.289 389 HH TYR 55 HH TYR 55 1.508 4.841 -1.399 390 H ARG 56 H ARG 56 8.360 1.489 -2.175 391 HA ARG 56 HA ARG 56 11.257 2.003 -1.998 392 HB2 ARG 56 HB3 ARG 56 10.785 -0.179 -0.994 393 HB3 ARG 56 HB2 ARG 56 9.925 -0.676 -2.448 394 HG2 ARG 56 HG3 ARG 56 12.159 -1.636 -2.362 395 HG3 ARG 56 HG2 ARG 56 11.982 -0.542 -3.737 396 HD2 ARG 56 HD3 ARG 56 13.066 1.241 -2.396 397 HD3 ARG 56 HD2 ARG 56 13.329 0.061 -1.105 398 HE ARG 56 HE ARG 56 14.396 -0.746 -3.658 399 HH11 ARG 56 HH11 ARG 56 15.001 1.049 -0.729 400 HH12 ARG 56 HH12 ARG 56 16.726 0.933 -0.858 401 HH21 ARG 56 HH21 ARG 56 16.666 -0.907 -3.832 402 HH22 ARG 56 HH22 ARG 56 17.672 -0.180 -2.623 403 H ASN 57 H ASN 57 11.587 3.216 -3.770 404 HA ASN 57 HA ASN 57 10.913 2.007 -6.358 405 HB2 ASN 57 HB3 ASN 57 9.378 4.022 -5.436 406 HB3 ASN 57 HB2 ASN 57 10.644 4.954 -6.206 407 HD21 ASN 57 HD21 ASN 57 8.807 5.630 -7.555 408 HD22 ASN 57 HD22 ASN 57 8.407 4.658 -8.937 409 HA PRO 58 HA PRO 58 15.232 2.992 -6.839 410 HB2 PRO 58 HB3 PRO 58 15.476 1.913 -9.322 411 HB3 PRO 58 HB2 PRO 58 15.430 0.941 -7.853 412 HG2 PRO 58 HG3 PRO 58 13.237 1.533 -9.796 413 HG3 PRO 58 HG2 PRO 58 13.654 -0.006 -9.015 414 HD2 PRO 58 HD3 PRO 58 11.626 1.560 -8.144 415 HD3 PRO 58 HD2 PRO 58 12.582 0.566 -7.050 416 H VAL 59 H VAL 59 12.616 3.902 -8.960 417 HA VAL 59 HA VAL 59 14.247 5.716 -10.526 418 HB VAL 59 HB VAL 59 12.102 6.374 -11.586 419 HG11 VAL 59 HG11 VAL 59 13.515 4.373 -12.278 420 HG12 VAL 59 HG12 VAL 59 12.297 3.374 -11.479 421 HG13 VAL 59 HG13 VAL 59 11.843 4.404 -12.843 422 HG21 VAL 59 HG21 VAL 59 10.050 5.221 -11.032 423 HG22 VAL 59 HG22 VAL 59 10.877 4.283 -9.783 424 HG23 VAL 59 HG23 VAL 59 10.677 6.029 -9.593 425 H SER 60 H SER 60 12.180 5.832 -7.732 426 HA SER 60 HA SER 60 11.925 8.715 -7.769 427 HB2 SER 60 HB3 SER 60 11.229 6.785 -5.547 428 HB3 SER 60 HB2 SER 60 10.679 8.454 -5.710 429 HG SER 60 HG SER 60 9.450 7.878 -7.458 430 H GLN 61 H GLN 61 13.990 6.313 -6.331 431 HA GLN 61 HA GLN 61 15.876 6.457 -5.062 432 HB2 GLN 61 HB3 GLN 61 15.887 9.360 -5.912 433 HB3 GLN 61 HB2 GLN 61 17.255 8.450 -5.284 434 HG2 GLN 61 HG3 GLN 61 17.146 6.974 -7.251 435 HG3 GLN 61 HG2 GLN 61 15.821 7.951 -7.887 436 HE21 GLN 61 HE21 GLN 61 16.895 8.600 -9.711 437 HE22 GLN 61 HE22 GLN 61 18.248 9.687 -9.678 438 H CYS 62 H CYS 62 13.174 7.181 -3.962 439 HA CYS 62 HA CYS 62 14.044 8.822 -1.670 440 HB2 CYS 62 HB3 CYS 62 11.722 9.343 -1.281 441 HB3 CYS 62 HB2 CYS 62 12.083 9.647 -2.978 442 HG CYS 62 HG CYS 62 10.152 7.206 -1.614 443 H MET 63 H MET 63 13.014 8.219 0.442 444 HA MET 63 HA MET 63 12.765 5.286 0.685 445 HB2 MET 63 HB3 MET 63 13.986 5.353 2.765 446 HB3 MET 63 HB2 MET 63 14.957 6.115 1.511 447 HG2 MET 63 HG3 MET 63 14.468 8.290 2.342 448 HG3 MET 63 HG2 MET 63 13.250 7.657 3.449 449 HE1 MET 63 HE1 MET 63 15.125 9.038 5.824 450 HE2 MET 63 HE2 MET 63 13.607 8.241 5.403 451 HE3 MET 63 HE3 MET 63 14.735 7.461 6.516 452 H ARG 64 H ARG 64 10.761 7.502 0.488 453 HA ARG 64 HA ARG 64 9.580 8.042 2.964 454 HB2 ARG 64 HB3 ARG 64 9.057 8.783 0.416 455 HB3 ARG 64 HB2 ARG 64 7.754 7.632 0.676 456 HG2 ARG 64 HG3 ARG 64 7.577 9.087 2.945 457 HG3 ARG 64 HG2 ARG 64 8.174 10.307 1.815 458 HD2 ARG 64 HD3 ARG 64 6.323 9.565 0.247 459 HD3 ARG 64 HD2 ARG 64 5.669 8.645 1.601 460 HE ARG 64 HE ARG 64 5.586 11.506 1.234 461 HH11 ARG 64 HH11 ARG 64 5.410 8.883 3.526 462 HH12 ARG 64 HH12 ARG 64 4.515 9.795 4.697 463 HH21 ARG 64 HH21 ARG 64 4.409 12.712 2.770 464 HH22 ARG 64 HH22 ARG 64 3.945 11.972 4.266 465 H GLY 65 H GLY 65 7.198 7.235 3.392 466 HA2 GLY 65 HA3 GLY 65 6.847 4.396 2.878 467 HA3 GLY 65 HA2 GLY 65 7.189 4.813 4.552 468 H VAL 66 H VAL 66 4.778 3.655 3.223 469 HA VAL 66 HA VAL 66 2.697 5.557 3.144 470 HB VAL 66 HB VAL 66 2.514 2.610 3.803 471 HG11 VAL 66 HG11 VAL 66 0.196 2.784 3.099 472 HG12 VAL 66 HG12 VAL 66 0.510 3.884 4.441 473 HG13 VAL 66 HG13 VAL 66 0.398 4.511 2.796 474 HG21 VAL 66 HG21 VAL 66 2.116 3.963 1.140 475 HG22 VAL 66 HG22 VAL 66 3.626 3.189 1.628 476 HG23 VAL 66 HG23 VAL 66 2.154 2.228 1.475 477 H ARG 67 H ARG 67 1.211 6.231 4.656 478 HA ARG 67 HA ARG 67 2.066 5.971 7.438 479 HB2 ARG 67 HB3 ARG 67 1.633 8.218 6.668 480 HB3 ARG 67 HB2 ARG 67 0.029 7.761 6.097 481 HG2 ARG 67 HG3 ARG 67 -0.238 8.953 8.133 482 HG3 ARG 67 HG2 ARG 67 -0.584 7.254 8.464 483 HD2 ARG 67 HD3 ARG 67 2.164 7.552 8.892 484 HD3 ARG 67 HD2 ARG 67 1.422 8.982 9.611 485 HE ARG 67 HE ARG 67 -0.111 6.938 10.537 486 HH11 ARG 67 HH11 ARG 67 3.314 7.587 10.535 487 HH12 ARG 67 HH12 ARG 67 3.610 6.728 12.012 488 HH21 ARG 67 HH21 ARG 67 0.266 5.806 12.478 489 HH22 ARG 67 HH22 ARG 67 1.877 5.715 13.117 490 H LEU 68 H LEU 68 0.894 5.023 9.035 491 HA LEU 68 HA LEU 68 -1.607 3.682 8.219 492 HB2 LEU 68 HB3 LEU 68 0.174 2.075 8.568 493 HB3 LEU 68 HB2 LEU 68 0.517 2.763 10.155 494 HG LEU 68 HG LEU 68 -0.809 0.540 9.965 495 HD11 LEU 68 HD11 LEU 68 -2.142 2.548 11.725 496 HD12 LEU 68 HD12 LEU 68 -0.431 2.184 11.962 497 HD13 LEU 68 HD13 LEU 68 -1.632 0.896 12.081 498 HD21 LEU 68 HD21 LEU 68 -3.219 2.279 9.898 499 HD22 LEU 68 HD22 LEU 68 -3.025 0.589 9.428 500 HD23 LEU 68 HD23 LEU 68 -2.452 1.873 8.366 501 H VAL 69 H VAL 69 -3.343 4.474 9.184 502 HA VAL 69 HA VAL 69 -3.169 5.252 12.013 503 HB VAL 69 HB VAL 69 -2.967 7.347 10.819 504 HG11 VAL 69 HG11 VAL 69 -4.014 6.493 8.702 505 HG12 VAL 69 HG12 VAL 69 -5.590 6.732 9.463 506 HG13 VAL 69 HG13 VAL 69 -4.526 8.111 9.186 507 HG21 VAL 69 HG21 VAL 69 -4.449 8.470 12.110 508 HG22 VAL 69 HG22 VAL 69 -5.822 7.498 11.575 509 HG23 VAL 69 HG23 VAL 69 -4.718 6.868 12.801 510 H GLU 70 H GLU 70 -4.696 4.264 13.144 511 HA GLU 70 HA GLU 70 -6.594 3.129 13.692 512 HB2 GLU 70 HB3 GLU 70 -7.846 4.748 11.465 513 HB3 GLU 70 HB2 GLU 70 -8.699 3.943 12.774 514 HG2 GLU 70 HG3 GLU 70 -6.920 6.354 12.913 515 HG3 GLU 70 HG2 GLU 70 -8.621 6.217 13.353 516 H GLY 71 H GLY 71 -4.801 2.188 11.453 517 HA2 GLY 71 HA3 GLY 71 -4.833 0.046 10.468 518 HA3 GLY 71 HA2 GLY 71 -6.589 0.050 10.559 519 H ILE 72 H ILE 72 -6.613 2.817 9.375 520 HA ILE 72 HA ILE 72 -6.685 1.945 6.613 521 HB ILE 72 HB ILE 72 -7.302 4.662 7.785 522 HG12 ILE 72 HG13 ILE 72 -9.687 3.579 7.017 523 HG13 ILE 72 HG12 ILE 72 -8.838 2.148 7.571 524 HG21 ILE 72 HG21 ILE 72 -6.964 3.822 5.103 525 HG22 ILE 72 HG22 ILE 72 -8.685 4.108 5.357 526 HG23 ILE 72 HG23 ILE 72 -7.515 5.387 5.702 527 HD11 ILE 72 HD11 ILE 72 -8.368 4.054 9.539 528 HD12 ILE 72 HD12 ILE 72 -10.063 4.263 9.090 529 HD13 ILE 72 HD13 ILE 72 -9.477 2.684 9.620 530 H LEU 73 H LEU 73 -4.921 1.972 5.398 531 HA LEU 73 HA LEU 73 -2.614 3.534 6.060 532 HB2 LEU 73 HB3 LEU 73 -3.352 1.738 3.773 533 HB3 LEU 73 HB2 LEU 73 -1.876 2.681 3.736 534 HG LEU 73 HG LEU 73 -1.382 0.435 4.447 535 HD11 LEU 73 HD11 LEU 73 -0.235 0.888 6.524 536 HD12 LEU 73 HD12 LEU 73 -1.261 2.290 6.818 537 HD13 LEU 73 HD13 LEU 73 -0.129 2.300 5.471 538 HD21 LEU 73 HD21 LEU 73 -3.191 0.849 6.813 539 HD22 LEU 73 HD22 LEU 73 -2.381 -0.632 6.307 540 HD23 LEU 73 HD23 LEU 73 -3.708 0.023 5.346 541 H HIS 74 H HIS 74 -2.399 5.625 5.670 542 HA HIS 74 HA HIS 74 -4.006 6.892 3.585 543 HB2 HIS 74 HB3 HIS 74 -3.973 7.990 5.746 544 HB3 HIS 74 HB2 HIS 74 -2.221 8.045 5.732 545 HD1 HIS 74 HD1 HIS 74 -4.302 8.988 2.742 546 HD2 HIS 74 HD2 HIS 74 -2.031 10.806 5.715 547 HE1 HIS 74 HE1 HIS 74 -4.091 11.400 2.052 548 HE2 HIS 74 HE2 HIS 74 -2.701 12.511 3.876 549 H ALA 75 H ALA 75 -3.225 7.733 1.730 550 HA ALA 75 HA ALA 75 -0.498 7.048 0.998 551 HB1 ALA 75 HB1 ALA 75 -2.991 7.628 -0.411 552 HB2 ALA 75 HB2 ALA 75 -2.983 7.584 -0.403 553 HB3 ALA 75 HB3 ALA 75 -1.585 6.639 -0.901 554 HA PRO 76 HA PRO 76 1.343 11.007 1.438 555 HB2 PRO 76 HB3 PRO 76 2.965 11.122 -0.738 556 HB3 PRO 76 HB2 PRO 76 3.289 10.073 0.649 557 HG2 PRO 76 HG3 PRO 76 2.058 9.397 -1.983 558 HG3 PRO 76 HG2 PRO 76 3.254 8.499 -1.060 559 HD2 PRO 76 HD3 PRO 76 0.632 7.831 -1.056 560 HD3 PRO 76 HD2 PRO 76 1.675 7.587 0.356 561 H ASP 77 H ASP 77 2.078 12.944 -0.160 562 HA ASP 77 HA ASP 77 -0.412 13.996 -1.170 563 HB2 ASP 77 HB3 ASP 77 1.258 15.378 0.076 564 HB3 ASP 77 HB2 ASP 77 2.350 15.226 -1.301 565 H ALA 78 H ALA 78 1.773 11.940 -2.477 566 HA ALA 78 HA ALA 78 1.478 13.025 -5.202 567 HB1 ALA 78 HB1 ALA 78 3.683 11.818 -3.825 568 HB2 ALA 78 HB2 ALA 78 3.686 11.863 -3.838 569 HB3 ALA 78 HB3 ALA 78 3.619 12.516 -5.470 570 H GLY 79 H GLY 79 0.780 10.306 -3.122 571 HA2 GLY 79 HA3 GLY 79 -1.306 9.119 -3.781 572 HA3 GLY 79 HA2 GLY 79 -0.610 9.010 -5.382 573 H TRP 80 H TRP 80 -1.159 6.683 -4.941 574 HA TRP 80 HA TRP 80 0.607 5.288 -3.121 575 HB2 TRP 80 HB3 TRP 80 -1.412 4.280 -5.140 576 HB3 TRP 80 HB2 TRP 80 -0.490 3.246 -4.063 577 HD1 TRP 80 HD1 TRP 80 -3.645 5.189 -4.237 578 HE1 TRP 80 HE1 TRP 80 -4.820 5.215 -1.942 579 HE3 TRP 80 HE3 TRP 80 0.173 3.370 -1.367 580 HZ2 TRP 80 HZ2 TRP 80 -4.196 4.542 0.727 581 HZ3 TRP 80 HZ3 TRP 80 -0.197 3.094 1.045 582 HH2 TRP 80 HH2 TRP 80 -2.337 3.667 2.071 583 H GLY 81 H GLY 81 0.044 5.100 -6.649 584 HA2 GLY 81 HA3 GLY 81 1.735 5.119 -8.296 585 HA3 GLY 81 HA2 GLY 81 2.932 4.814 -7.044 586 H ASN 82 H ASN 82 3.665 3.262 -8.749 587 HA ASN 82 HA ASN 82 2.298 0.678 -8.358 588 HB2 ASN 82 HB3 ASN 82 3.762 1.324 -10.903 589 HB3 ASN 82 HB2 ASN 82 2.552 0.076 -10.610 590 HD21 ASN 82 HD21 ASN 82 2.771 2.309 -12.589 591 HD22 ASN 82 HD22 ASN 82 1.263 3.158 -12.457 592 H LEU 83 H LEU 83 4.407 1.677 -6.777 593 HA LEU 83 HA LEU 83 6.771 0.197 -7.704 594 HB2 LEU 83 HB3 LEU 83 7.836 1.301 -5.683 595 HB3 LEU 83 HB2 LEU 83 7.382 2.346 -7.022 596 HG LEU 83 HG LEU 83 6.926 3.142 -4.617 597 HD11 LEU 83 HD11 LEU 83 4.371 3.435 -5.942 598 HD12 LEU 83 HD12 LEU 83 5.717 3.648 -7.064 599 HD13 LEU 83 HD13 LEU 83 5.618 4.640 -5.607 600 HD21 LEU 83 HD21 LEU 83 5.892 1.018 -3.875 601 HD22 LEU 83 HD22 LEU 83 4.549 1.319 -4.980 602 HD23 LEU 83 HD23 LEU 83 4.845 2.417 -3.635 603 H VAL 84 H VAL 84 8.021 -0.603 -5.515 604 HA VAL 84 HA VAL 84 6.242 -2.678 -4.470 605 HB VAL 84 HB VAL 84 9.229 -2.424 -4.081 606 HG11 VAL 84 HG11 VAL 84 7.396 -4.808 -3.837 607 HG12 VAL 84 HG12 VAL 84 9.134 -4.785 -3.536 608 HG13 VAL 84 HG13 VAL 84 8.043 -3.879 -2.484 609 HG21 VAL 84 HG21 VAL 84 7.726 -3.105 -6.442 610 HG22 VAL 84 HG22 VAL 84 9.470 -2.932 -6.234 611 HG23 VAL 84 HG23 VAL 84 8.690 -4.480 -5.900 612 H TYR 85 H TYR 85 5.878 -3.042 -2.299 613 HA TYR 85 HA TYR 85 6.616 -0.808 -0.517 614 HB2 TYR 85 HB3 TYR 85 4.551 -0.909 0.465 615 HB3 TYR 85 HB2 TYR 85 4.114 -1.476 -1.120 616 HD1 TYR 85 HD1 TYR 85 4.655 -2.452 2.366 617 HD2 TYR 85 HD2 TYR 85 3.510 -3.795 -1.504 618 HE1 TYR 85 HE1 TYR 85 3.763 -4.521 3.353 619 HE2 TYR 85 HE2 TYR 85 2.617 -5.868 -0.527 620 HH TYR 85 HH TYR 85 2.111 -6.943 1.366 621 H VAL 86 H VAL 86 7.342 -1.232 1.565 622 HA VAL 86 HA VAL 86 8.496 -3.903 1.916 623 HB VAL 86 HB VAL 86 9.006 -1.331 3.421 624 HG11 VAL 86 HG11 VAL 86 9.936 -4.126 3.830 625 HG12 VAL 86 HG12 VAL 86 11.083 -2.812 4.109 626 HG13 VAL 86 HG13 VAL 86 9.568 -2.869 5.013 627 HG21 VAL 86 HG21 VAL 86 10.216 -2.605 1.051 628 HG22 VAL 86 HG22 VAL 86 10.136 -0.903 1.510 629 HG23 VAL 86 HG23 VAL 86 11.344 -1.958 2.244 630 H VAL 87 H VAL 87 7.666 -5.343 3.275 631 HA VAL 87 HA VAL 87 5.342 -4.725 4.833 632 HB VAL 87 HB VAL 87 6.946 -7.256 5.098 633 HG11 VAL 87 HG11 VAL 87 4.866 -6.615 6.513 634 HG12 VAL 87 HG12 VAL 87 3.961 -7.008 5.047 635 HG13 VAL 87 HG13 VAL 87 4.975 -8.232 5.820 636 HG21 VAL 87 HG21 VAL 87 6.774 -6.964 2.738 637 HG22 VAL 87 HG22 VAL 87 5.542 -8.136 3.212 638 HG23 VAL 87 HG23 VAL 87 5.083 -6.469 2.862 639 H ASN 88 H ASN 88 5.143 -4.362 6.980 640 HA ASN 88 HA ASN 88 7.441 -4.801 8.737 641 HB2 ASN 88 HB3 ASN 88 6.045 -2.121 8.660 642 HB3 ASN 88 HB2 ASN 88 7.475 -2.558 9.582 643 HD21 ASN 88 HD21 ASN 88 6.468 -0.889 6.995 644 HD22 ASN 88 HD22 ASN 88 7.900 -0.950 6.013 645 H TYR 89 H TYR 89 6.541 -6.146 10.165 646 HA TYR 89 HA TYR 89 3.779 -5.970 10.933 647 HB2 TYR 89 HB3 TYR 89 5.934 -7.587 12.299 648 HB3 TYR 89 HB2 TYR 89 4.198 -7.891 12.288 649 HD1 TYR 89 HD2 TYR 89 3.312 -7.921 9.642 650 HD2 TYR 89 HD1 TYR 89 7.124 -9.142 11.096 651 HE1 TYR 89 HE2 TYR 89 3.578 -9.391 7.690 652 HE2 TYR 89 HE1 TYR 89 7.402 -10.615 9.146 653 HH TYR 89 HH TYR 89 4.820 -10.999 6.748 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -22.483 18.061 -5.032 2 H2 MET 1 H2 MET 1 -21.216 17.081 -5.443 3 H3 MET 1 H3 MET 1 -22.646 16.971 -6.265 4 HA MET 1 HA MET 1 -22.210 15.198 -4.652 5 HB2 MET 1 HB3 MET 1 -22.407 17.609 -2.887 6 HB3 MET 1 HB2 MET 1 -22.995 16.060 -2.293 7 HG2 MET 1 HG3 MET 1 -20.909 15.138 -2.200 8 HG3 MET 1 HG2 MET 1 -20.276 16.170 -3.484 9 HE1 MET 1 HE1 MET 1 -17.863 17.563 -0.932 10 HE2 MET 1 HE2 MET 1 -18.229 15.886 -1.345 11 HE3 MET 1 HE3 MET 1 -18.163 17.114 -2.613 12 H ALA 2 H ALA 2 -24.173 16.545 -6.429 13 HA ALA 2 HA ALA 2 -26.696 16.370 -5.012 14 HB1 ALA 2 HB1 ALA 2 -27.635 16.781 -7.351 15 HB2 ALA 2 HB2 ALA 2 -27.610 16.753 -7.375 16 HB3 ALA 2 HB3 ALA 2 -25.933 17.014 -7.844 17 H GLY 3 H GLY 3 -25.436 14.771 -7.956 18 HA2 GLY 3 HA3 GLY 3 -26.152 12.161 -7.023 19 HA3 GLY 3 HA2 GLY 3 -27.337 12.780 -8.168 20 H SER 4 H SER 4 -26.926 12.649 -10.300 21 HA SER 4 HA SER 4 -24.237 11.707 -11.084 22 HB2 SER 4 HB3 SER 4 -26.976 10.887 -12.006 23 HB3 SER 4 HB2 SER 4 -25.594 10.720 -13.093 24 HG SER 4 HG SER 4 -26.325 9.137 -11.064 25 H HIS 5 H HIS 5 -23.173 12.809 -12.612 26 HA HIS 5 HA HIS 5 -24.382 15.250 -13.629 27 HB2 HIS 5 HB3 HIS 5 -21.998 15.042 -12.707 28 HB3 HIS 5 HB2 HIS 5 -21.598 14.250 -14.230 29 HD1 HIS 5 HD1 HIS 5 -21.173 15.725 -16.223 30 HD2 HIS 5 HD2 HIS 5 -22.801 17.797 -13.002 31 HE1 HIS 5 HE1 HIS 5 -21.046 18.162 -16.848 32 HE2 HIS 5 HE2 HIS 5 -22.043 19.426 -14.874 33 H HIS 6 H HIS 6 -22.667 12.463 -15.058 34 HA HIS 6 HA HIS 6 -23.725 13.140 -17.687 35 HB2 HIS 6 HB3 HIS 6 -21.660 11.250 -16.642 36 HB3 HIS 6 HB2 HIS 6 -22.405 10.897 -18.199 37 HD1 HIS 6 HD1 HIS 6 -19.383 11.992 -17.369 38 HD2 HIS 6 HD2 HIS 6 -22.430 13.951 -19.415 39 HE1 HIS 6 HE1 HIS 6 -18.248 13.795 -18.712 40 HE2 HIS 6 HE2 HIS 6 -20.118 14.992 -19.964 41 H HIS 7 H HIS 7 -24.642 11.348 -19.040 42 HA HIS 7 HA HIS 7 -27.013 10.387 -17.925 43 HB2 HIS 7 HB3 HIS 7 -27.304 9.127 -19.967 44 HB3 HIS 7 HB2 HIS 7 -26.582 10.687 -20.362 45 HD1 HIS 7 HD1 HIS 7 -26.394 7.722 -21.832 46 HD2 HIS 7 HD2 HIS 7 -23.429 9.871 -19.856 47 HE1 HIS 7 HE1 HIS 7 -24.207 6.864 -22.745 48 HE2 HIS 7 HE2 HIS 7 -22.396 8.183 -21.530 49 H HIS 8 H HIS 8 -23.820 9.026 -17.944 50 HA HIS 8 HA HIS 8 -24.731 6.880 -16.201 51 HB2 HIS 8 HB3 HIS 8 -23.601 6.448 -18.939 52 HB3 HIS 8 HB2 HIS 8 -23.176 5.313 -17.659 53 HD1 HIS 8 HD1 HIS 8 -25.683 5.923 -20.167 54 HD2 HIS 8 HD2 HIS 8 -25.622 4.175 -16.393 55 HE1 HIS 8 HE1 HIS 8 -27.769 4.517 -20.038 56 HE2 HIS 8 HE2 HIS 8 -27.727 3.448 -17.724 57 H HIS 9 H HIS 9 -22.878 5.686 -15.237 58 HA HIS 9 HA HIS 9 -20.952 7.517 -14.247 59 HB2 HIS 9 HB3 HIS 9 -21.918 5.314 -13.202 60 HB3 HIS 9 HB2 HIS 9 -20.577 4.545 -14.050 61 HD1 HIS 9 HD1 HIS 9 -21.054 7.461 -11.636 62 HD2 HIS 9 HD2 HIS 9 -18.331 4.452 -12.556 63 HE1 HIS 9 HE1 HIS 9 -19.216 7.661 -9.924 64 HE2 HIS 9 HE2 HIS 9 -17.553 5.817 -10.492 65 H HIS 10 H HIS 10 -19.457 8.347 -15.571 66 HA HIS 10 HA HIS 10 -18.214 6.717 -17.631 67 HB2 HIS 10 HB3 HIS 10 -18.860 9.130 -17.975 68 HB3 HIS 10 HB2 HIS 10 -17.563 9.570 -16.865 69 HD1 HIS 10 HD1 HIS 10 -15.907 10.646 -18.389 70 HD2 HIS 10 HD2 HIS 10 -17.260 6.991 -19.846 71 HE1 HIS 10 HE1 HIS 10 -14.500 10.164 -20.421 72 HE2 HIS 10 HE2 HIS 10 -15.331 7.924 -21.310 73 H GLY 11 H GLY 11 -17.269 8.354 -14.628 74 HA2 GLY 11 HA3 GLY 11 -15.152 6.437 -14.212 75 HA3 GLY 11 HA2 GLY 11 -14.563 8.049 -14.596 76 H SER 12 H SER 12 -13.880 6.929 -12.215 77 HA SER 12 HA SER 12 -15.588 8.360 -10.273 78 HB2 SER 12 HB3 SER 12 -14.095 5.767 -10.090 79 HB3 SER 12 HB2 SER 12 -14.338 6.726 -8.628 80 HG SER 12 HG SER 12 -16.084 5.147 -9.924 81 H MET 13 H MET 13 -14.681 9.857 -8.975 82 HA MET 13 HA MET 13 -12.167 10.951 -9.657 83 HB2 MET 13 HB3 MET 13 -12.502 12.399 -7.673 84 HB3 MET 13 HB2 MET 13 -13.911 12.346 -8.725 85 HG2 MET 13 HG3 MET 13 -14.962 12.094 -6.741 86 HG3 MET 13 HG2 MET 13 -14.603 10.398 -7.060 87 HE1 MET 13 HE1 MET 13 -11.851 13.149 -4.844 88 HE2 MET 13 HE2 MET 13 -13.213 13.589 -5.875 89 HE3 MET 13 HE3 MET 13 -13.460 13.337 -4.145 90 H SER 14 H SER 14 -13.122 8.504 -7.405 91 HA SER 14 HA SER 14 -10.988 8.632 -5.586 92 HB2 SER 14 HB3 SER 14 -11.504 6.198 -5.183 93 HB3 SER 14 HB2 SER 14 -12.901 7.273 -5.068 94 HG SER 14 HG SER 14 -13.231 5.310 -6.323 95 H GLU 15 H GLU 15 -9.087 7.337 -5.414 96 HA GLU 15 HA GLU 15 -7.969 6.626 -8.052 97 HB2 GLU 15 HB3 GLU 15 -5.745 6.884 -6.833 98 HB3 GLU 15 HB2 GLU 15 -6.658 8.356 -7.121 99 HG2 GLU 15 HG3 GLU 15 -6.989 6.913 -4.538 100 HG3 GLU 15 HG2 GLU 15 -5.555 7.906 -4.809 101 H TYR 16 H TYR 16 -5.914 5.065 -7.534 102 HA TYR 16 HA TYR 16 -6.936 2.842 -5.887 103 HB2 TYR 16 HB3 TYR 16 -6.022 1.288 -7.648 104 HB3 TYR 16 HB2 TYR 16 -7.437 2.210 -8.140 105 HD1 TYR 16 HD1 TYR 16 -7.188 4.113 -9.711 106 HD2 TYR 16 HD2 TYR 16 -3.914 1.567 -8.744 107 HE1 TYR 16 HE1 TYR 16 -5.970 4.940 -11.682 108 HE2 TYR 16 HE2 TYR 16 -2.690 2.388 -10.711 109 HH TYR 16 HH TYR 16 -2.626 4.149 -12.241 110 H ILE 17 H ILE 17 -5.205 1.182 -5.452 111 HA ILE 17 HA ILE 17 -2.592 2.519 -5.109 112 HB ILE 17 HB ILE 17 -3.564 2.339 -2.940 113 HG12 ILE 17 HG13 ILE 17 -1.637 0.048 -3.344 114 HG13 ILE 17 HG12 ILE 17 -1.185 1.715 -3.104 115 HG21 ILE 17 HG21 ILE 17 -5.143 0.836 -2.528 116 HG22 ILE 17 HG22 ILE 17 -4.747 -0.029 -4.008 117 HG23 ILE 17 HG23 ILE 17 -3.913 -0.425 -2.509 118 HD11 ILE 17 HD11 ILE 17 -2.319 1.617 -0.880 119 HD12 ILE 17 HD12 ILE 17 -2.499 -0.120 -1.129 120 HD13 ILE 17 HD13 ILE 17 -0.889 0.595 -1.042 121 H ARG 18 H ARG 18 -0.958 1.562 -6.107 122 HA ARG 18 HA ARG 18 -1.180 -1.322 -6.709 123 HB2 ARG 18 HB3 ARG 18 -0.554 0.971 -8.432 124 HB3 ARG 18 HB2 ARG 18 0.585 -0.354 -8.569 125 HG2 ARG 18 HG3 ARG 18 -1.485 -1.847 -8.848 126 HG3 ARG 18 HG2 ARG 18 -2.343 -0.334 -9.159 127 HD2 ARG 18 HD3 ARG 18 -1.729 -0.685 -11.291 128 HD3 ARG 18 HD2 ARG 18 -0.168 -0.050 -10.762 129 HE ARG 18 HE ARG 18 0.027 -2.704 -10.237 130 HH11 ARG 18 HH11 ARG 18 -0.842 -0.866 -13.071 131 HH12 ARG 18 HH12 ARG 18 -0.240 -2.052 -14.183 132 HH21 ARG 18 HH21 ARG 18 0.822 -4.266 -11.691 133 HH22 ARG 18 HH22 ARG 18 0.707 -3.985 -13.398 134 H VAL 19 H VAL 19 0.093 -2.293 -5.252 135 HA VAL 19 HA VAL 19 2.927 -1.596 -5.240 136 HB VAL 19 HB VAL 19 2.981 -1.804 -2.725 137 HG11 VAL 19 HG11 VAL 19 2.774 0.373 -4.309 138 HG12 VAL 19 HG12 VAL 19 1.390 0.619 -3.241 139 HG13 VAL 19 HG13 VAL 19 3.014 0.444 -2.563 140 HG21 VAL 19 HG21 VAL 19 0.032 -1.213 -2.964 141 HG22 VAL 19 HG22 VAL 19 0.705 -2.786 -2.523 142 HG23 VAL 19 HG23 VAL 19 0.966 -1.390 -1.475 143 H THR 20 H THR 20 4.294 -3.275 -4.485 144 HA THR 20 HA THR 20 2.967 -5.901 -4.212 145 HB THR 20 HB THR 20 3.824 -6.080 -6.364 146 HG1 THR 20 HG1 THR 20 5.824 -7.342 -6.087 147 HG21 THR 20 HG21 THR 20 6.193 -5.313 -6.909 148 HG22 THR 20 HG22 THR 20 6.148 -4.447 -5.375 149 HG23 THR 20 HG23 THR 20 4.992 -4.049 -6.644 150 H GLU 21 H GLU 21 4.191 -7.522 -3.066 151 HA GLU 21 HA GLU 21 5.548 -6.413 -0.785 152 HB2 GLU 21 HB3 GLU 21 4.011 -8.609 -1.128 153 HB3 GLU 21 HB2 GLU 21 5.588 -9.333 -1.232 154 HG2 GLU 21 HG3 GLU 21 5.879 -7.771 0.963 155 HG3 GLU 21 HG2 GLU 21 4.186 -8.208 1.075 156 H ASP 22 H ASP 22 6.472 -8.631 -3.414 157 HA ASP 22 HA ASP 22 9.292 -8.231 -2.690 158 HB2 ASP 22 HB3 ASP 22 7.937 -10.312 -4.413 159 HB3 ASP 22 HB2 ASP 22 9.687 -10.164 -4.261 160 H GLU 23 H GLU 23 10.833 -8.149 -4.584 161 HA GLU 23 HA GLU 23 9.999 -5.995 -6.321 162 HB2 GLU 23 HB3 GLU 23 12.364 -6.101 -7.130 163 HB3 GLU 23 HB2 GLU 23 12.204 -5.852 -5.396 164 HG2 GLU 23 HG3 GLU 23 12.838 -8.067 -4.913 165 HG3 GLU 23 HG2 GLU 23 12.646 -8.570 -6.593 166 H ASN 24 H ASN 24 10.626 -9.426 -6.582 167 HA ASN 24 HA ASN 24 10.665 -9.482 -9.450 168 HB2 ASN 24 HB3 ASN 24 11.782 -11.213 -8.092 169 HB3 ASN 24 HB2 ASN 24 10.215 -11.731 -7.469 170 HD21 ASN 24 HD21 ASN 24 9.044 -13.150 -8.604 171 HD22 ASN 24 HD22 ASN 24 9.473 -13.757 -10.173 172 H ASP 25 H ASP 25 8.215 -9.571 -7.003 173 HA ASP 25 HA ASP 25 6.177 -10.596 -8.805 174 HB2 ASP 25 HB3 ASP 25 6.348 -10.988 -6.240 175 HB3 ASP 25 HB2 ASP 25 5.624 -9.386 -6.109 176 H GLU 26 H GLU 26 4.849 -9.404 -10.017 177 HA GLU 26 HA GLU 26 5.259 -6.656 -10.406 178 HB2 GLU 26 HB3 GLU 26 3.554 -6.756 -11.994 179 HB3 GLU 26 HB2 GLU 26 4.158 -8.407 -11.958 180 HG2 GLU 26 HG3 GLU 26 2.295 -8.903 -10.312 181 HG3 GLU 26 HG2 GLU 26 1.634 -7.325 -10.743 182 HA PRO 27 HA PRO 27 2.871 -4.643 -7.321 183 HB2 PRO 27 HB3 PRO 27 1.967 -2.479 -8.674 184 HB3 PRO 27 HB2 PRO 27 3.644 -2.658 -8.185 185 HG2 PRO 27 HG3 PRO 27 2.393 -3.177 -10.853 186 HG3 PRO 27 HG2 PRO 27 3.929 -2.374 -10.476 187 HD2 PRO 27 HD3 PRO 27 3.794 -4.948 -11.305 188 HD3 PRO 27 HD2 PRO 27 5.044 -4.372 -10.181 189 H ILE 28 H ILE 28 1.036 -5.544 -6.617 190 HA ILE 28 HA ILE 28 -1.148 -6.175 -8.376 191 HB ILE 28 HB ILE 28 -0.741 -7.646 -6.518 192 HG12 ILE 28 HG13 ILE 28 -2.972 -7.694 -5.479 193 HG13 ILE 28 HG12 ILE 28 -3.273 -6.052 -6.037 194 HG21 ILE 28 HG21 ILE 28 -1.035 -5.162 -4.852 195 HG22 ILE 28 HG22 ILE 28 -1.206 -6.776 -4.166 196 HG23 ILE 28 HG23 ILE 28 0.319 -6.296 -4.914 197 HD11 ILE 28 HD11 ILE 28 -3.858 -8.439 -7.358 198 HD12 ILE 28 HD12 ILE 28 -3.990 -6.797 -7.992 199 HD13 ILE 28 HD13 ILE 28 -2.509 -7.724 -8.243 200 H GLU 29 H GLU 29 -3.073 -5.151 -8.634 201 HA GLU 29 HA GLU 29 -3.271 -2.458 -7.468 202 HB2 GLU 29 HB3 GLU 29 -5.033 -2.145 -9.272 203 HB3 GLU 29 HB2 GLU 29 -3.376 -2.353 -9.828 204 HG2 GLU 29 HG3 GLU 29 -5.080 -4.773 -9.615 205 HG3 GLU 29 HG2 GLU 29 -5.395 -3.644 -10.931 206 H ILE 30 H ILE 30 -4.607 -2.143 -5.830 207 HA ILE 30 HA ILE 30 -7.011 -3.848 -5.625 208 HB ILE 30 HB ILE 30 -6.657 -3.268 -3.051 209 HG12 ILE 30 HG13 ILE 30 -3.800 -3.708 -3.822 210 HG13 ILE 30 HG12 ILE 30 -4.443 -2.085 -3.868 211 HG21 ILE 30 HG21 ILE 30 -5.355 -5.476 -2.915 212 HG22 ILE 30 HG22 ILE 30 -6.944 -5.498 -3.683 213 HG23 ILE 30 HG23 ILE 30 -5.484 -5.501 -4.675 214 HD11 ILE 30 HD11 ILE 30 -4.278 -3.905 -1.489 215 HD12 ILE 30 HD12 ILE 30 -3.403 -2.396 -1.761 216 HD13 ILE 30 HD13 ILE 30 -5.148 -2.369 -1.494 217 HA PRO 31 HA PRO 31 -9.428 -0.208 -5.220 218 HB2 PRO 31 HB3 PRO 31 -11.290 -0.955 -3.388 219 HB3 PRO 31 HB2 PRO 31 -11.270 -1.571 -5.048 220 HG2 PRO 31 HG3 PRO 31 -10.252 -2.850 -2.537 221 HG3 PRO 31 HG2 PRO 31 -11.175 -3.575 -3.868 222 HD2 PRO 31 HD3 PRO 31 -8.495 -3.869 -3.625 223 HD3 PRO 31 HD2 PRO 31 -9.309 -3.809 -5.204 224 H SER 32 H SER 32 -9.506 1.669 -4.080 225 HA SER 32 HA SER 32 -8.651 1.614 -1.260 226 HB2 SER 32 HB3 SER 32 -7.123 3.416 -1.576 227 HB3 SER 32 HB2 SER 32 -6.767 2.248 -2.850 228 HG SER 32 HG SER 32 -6.888 4.138 -3.909 229 H GLU 33 H GLU 33 -9.185 3.617 -0.086 230 HA GLU 33 HA GLU 33 -11.887 4.314 -0.425 231 HB2 GLU 33 HB3 GLU 33 -10.261 4.491 1.648 232 HB3 GLU 33 HB2 GLU 33 -10.021 6.128 1.052 233 HG2 GLU 33 HG3 GLU 33 -11.742 6.026 2.778 234 HG3 GLU 33 HG2 GLU 33 -12.391 6.579 1.233 235 H ASP 34 H ASP 34 -12.739 6.532 -0.718 236 HA ASP 34 HA ASP 34 -11.785 7.625 -3.184 237 HB2 ASP 34 HB3 ASP 34 -13.791 8.951 -1.367 238 HB3 ASP 34 HB2 ASP 34 -13.679 9.036 -3.124 239 H ASP 35 H ASP 35 -11.462 8.468 0.194 240 HA ASP 35 HA ASP 35 -10.548 11.123 -0.149 241 HB2 ASP 35 HB3 ASP 35 -10.207 9.101 2.063 242 HB3 ASP 35 HB2 ASP 35 -9.505 10.715 2.158 243 H GLY 36 H GLY 36 -9.075 8.099 -0.755 244 HA2 GLY 36 HA3 GLY 36 -7.049 8.238 -2.151 245 HA3 GLY 36 HA2 GLY 36 -6.455 9.443 -1.046 246 H THR 37 H THR 37 -7.709 7.709 1.172 247 HA THR 37 HA THR 37 -5.286 6.221 1.707 248 HB THR 37 HB THR 37 -6.168 5.797 3.877 249 HG1 THR 37 HG1 THR 37 -8.628 6.262 2.606 250 HG21 THR 37 HG21 THR 37 -7.454 8.367 3.848 251 HG22 THR 37 HG22 THR 37 -6.028 8.397 2.808 252 HG23 THR 37 HG23 THR 37 -5.875 7.917 4.500 253 H VAL 38 H VAL 38 -5.953 3.989 2.983 254 HA VAL 38 HA VAL 38 -7.687 2.426 1.193 255 HB VAL 38 HB VAL 38 -4.827 1.760 1.888 256 HG11 VAL 38 HG11 VAL 38 -5.431 -0.348 0.477 257 HG12 VAL 38 HG12 VAL 38 -5.803 -0.305 2.202 258 HG13 VAL 38 HG13 VAL 38 -7.077 -0.003 1.015 259 HG21 VAL 38 HG21 VAL 38 -4.347 1.995 -0.334 260 HG22 VAL 38 HG22 VAL 38 -5.991 1.597 -0.845 261 HG23 VAL 38 HG23 VAL 38 -5.634 3.189 -0.177 262 H LEU 39 H LEU 39 -9.076 1.235 2.310 263 HA LEU 39 HA LEU 39 -9.131 1.145 5.110 264 HB2 LEU 39 HB3 LEU 39 -10.949 0.656 3.268 265 HB3 LEU 39 HB2 LEU 39 -10.426 -1.012 3.509 266 HG LEU 39 HG LEU 39 -10.931 -0.635 5.984 267 HD11 LEU 39 HD11 LEU 39 -11.527 1.399 6.631 268 HD12 LEU 39 HD12 LEU 39 -12.982 1.266 5.642 269 HD13 LEU 39 HD13 LEU 39 -11.515 1.972 4.962 270 HD21 LEU 39 HD21 LEU 39 -13.486 -0.383 4.530 271 HD22 LEU 39 HD22 LEU 39 -12.936 -1.621 5.663 272 HD23 LEU 39 HD23 LEU 39 -12.405 -1.664 3.979 273 H LEU 40 H LEU 40 -8.676 -0.472 6.607 274 HA LEU 40 HA LEU 40 -6.338 -1.977 6.144 275 HB2 LEU 40 HB3 LEU 40 -7.068 -1.183 8.355 276 HB3 LEU 40 HB2 LEU 40 -8.412 -2.321 8.311 277 HG LEU 40 HG LEU 40 -6.320 -2.911 9.699 278 HD11 LEU 40 HD11 LEU 40 -8.273 -4.412 8.485 279 HD12 LEU 40 HD12 LEU 40 -7.121 -4.995 9.688 280 HD13 LEU 40 HD13 LEU 40 -6.788 -5.209 7.971 281 HD21 LEU 40 HD21 LEU 40 -5.258 -4.041 7.153 282 HD22 LEU 40 HD22 LEU 40 -4.420 -3.668 8.659 283 HD23 LEU 40 HD23 LEU 40 -4.889 -2.365 7.563 284 H SER 41 H SER 41 -9.688 -2.694 5.660 285 HA SER 41 HA SER 41 -9.565 -5.516 5.728 286 HB2 SER 41 HB3 SER 41 -11.656 -4.069 5.728 287 HB3 SER 41 HB2 SER 41 -11.423 -3.882 3.988 288 HG SER 41 HG SER 41 -12.162 -6.143 5.464 289 H THR 42 H THR 42 -9.009 -3.164 3.155 290 HA THR 42 HA THR 42 -8.713 -5.129 1.090 291 HB THR 42 HB THR 42 -7.642 -2.304 1.038 292 HG1 THR 42 HG1 THR 42 -9.717 -1.775 0.158 293 HG21 THR 42 HG21 THR 42 -7.633 -2.494 -1.277 294 HG22 THR 42 HG22 THR 42 -8.781 -3.835 -1.274 295 HG23 THR 42 HG23 THR 42 -7.112 -4.098 -0.770 296 H VAL 43 H VAL 43 -6.570 -3.559 3.367 297 HA VAL 43 HA VAL 43 -4.116 -4.202 2.091 298 HB VAL 43 HB VAL 43 -4.842 -3.530 4.936 299 HG11 VAL 43 HG11 VAL 43 -2.248 -4.548 3.862 300 HG12 VAL 43 HG12 VAL 43 -2.242 -3.334 5.145 301 HG13 VAL 43 HG13 VAL 43 -3.041 -4.888 5.404 302 HG21 VAL 43 HG21 VAL 43 -4.726 -1.495 4.010 303 HG22 VAL 43 HG22 VAL 43 -2.978 -1.732 4.028 304 HG23 VAL 43 HG23 VAL 43 -3.901 -2.096 2.571 305 H THR 44 H THR 44 -6.179 -5.932 4.359 306 HA THR 44 HA THR 44 -4.272 -8.069 4.740 307 HB THR 44 HB THR 44 -6.183 -9.207 5.916 308 HG1 THR 44 HG1 THR 44 -8.131 -8.339 5.863 309 HG21 THR 44 HG21 THR 44 -4.956 -8.134 7.498 310 HG22 THR 44 HG22 THR 44 -6.401 -7.128 7.607 311 HG23 THR 44 HG23 THR 44 -5.017 -6.586 6.653 312 H ALA 45 H ALA 45 -6.574 -7.257 2.382 313 HA ALA 45 HA ALA 45 -7.460 -9.828 1.597 314 HB1 ALA 45 HB1 ALA 45 -8.491 -7.631 0.935 315 HB2 ALA 45 HB2 ALA 45 -8.511 -7.669 0.927 316 HB3 ALA 45 HB3 ALA 45 -8.239 -8.783 -0.408 317 H GLN 46 H GLN 46 -4.740 -7.814 0.529 318 HA GLN 46 HA GLN 46 -3.687 -10.152 -0.934 319 HB2 GLN 46 HB3 GLN 46 -3.627 -7.227 -1.491 320 HB3 GLN 46 HB2 GLN 46 -2.224 -8.170 -1.958 321 HG2 GLN 46 HG3 GLN 46 -4.033 -7.815 -3.703 322 HG3 GLN 46 HG2 GLN 46 -3.445 -9.465 -3.468 323 HE21 GLN 46 HE21 GLN 46 -5.960 -7.265 -2.266 324 HE22 GLN 46 HE22 GLN 46 -7.211 -8.466 -2.184 325 H PHE 47 H PHE 47 -3.166 -7.946 1.640 326 HA PHE 47 HA PHE 47 -0.519 -9.159 2.114 327 HB2 PHE 47 HB3 PHE 47 -1.045 -6.324 2.922 328 HB3 PHE 47 HB2 PHE 47 0.476 -7.125 2.634 329 HD1 PHE 47 HD2 PHE 47 0.463 -8.166 0.045 330 HD2 PHE 47 HD1 PHE 47 -1.463 -4.632 1.439 331 HE1 PHE 47 HE2 PHE 47 0.515 -7.247 -2.231 332 HE2 PHE 47 HE1 PHE 47 -1.417 -3.705 -0.841 333 HZ PHE 47 HZ PHE 47 -0.432 -5.009 -2.681 334 HA PRO 48 HA PRO 48 -3.324 -9.721 5.764 335 HB2 PRO 48 HB3 PRO 48 -2.639 -12.318 6.175 336 HB3 PRO 48 HB2 PRO 48 -3.918 -11.823 5.059 337 HG2 PRO 48 HG3 PRO 48 -1.078 -12.575 4.475 338 HG3 PRO 48 HG2 PRO 48 -2.556 -13.030 3.611 339 HD2 PRO 48 HD3 PRO 48 -0.908 -11.071 2.737 340 HD3 PRO 48 HD2 PRO 48 -2.664 -11.025 2.474 341 H GLY 49 H GLY 49 -2.626 -9.199 7.743 342 HA2 GLY 49 HA3 GLY 49 -1.279 -9.312 9.648 343 HA3 GLY 49 HA2 GLY 49 -0.099 -10.240 8.745 344 H ALA 50 H ALA 50 -0.637 -7.848 6.697 345 HA ALA 50 HA ALA 50 1.778 -6.472 7.352 346 HB1 ALA 50 HB1 ALA 50 -0.348 -6.024 5.261 347 HB2 ALA 50 HB2 ALA 50 -0.333 -6.066 5.258 348 HB3 ALA 50 HB3 ALA 50 1.309 -6.664 5.060 349 H CYS 51 H CYS 51 2.025 -4.903 8.777 350 HA CYS 51 HA CYS 51 -0.333 -3.354 9.611 351 HB2 CYS 51 HB3 CYS 51 1.276 -4.645 11.228 352 HB3 CYS 51 HB2 CYS 51 2.308 -3.240 11.020 353 HG CYS 51 HG CYS 51 -0.282 -1.711 11.678 354 H GLY 52 H GLY 52 3.126 -2.869 8.872 355 HA2 GLY 52 HA3 GLY 52 2.432 -0.130 8.012 356 HA3 GLY 52 HA2 GLY 52 3.923 -0.509 8.820 357 H LEU 53 H LEU 53 2.899 0.432 5.986 358 HA LEU 53 HA LEU 53 4.697 -1.346 4.462 359 HB2 LEU 53 HB3 LEU 53 2.513 0.363 3.297 360 HB3 LEU 53 HB2 LEU 53 3.416 -0.923 2.507 361 HG LEU 53 HG LEU 53 1.366 -1.913 2.880 362 HD11 LEU 53 HD11 LEU 53 2.386 -2.732 5.530 363 HD12 LEU 53 HD12 LEU 53 3.480 -2.950 4.163 364 HD13 LEU 53 HD13 LEU 53 1.887 -3.709 4.149 365 HD21 LEU 53 HD21 LEU 53 0.687 0.084 4.395 366 HD22 LEU 53 HD22 LEU 53 1.165 -0.980 5.720 367 HD23 LEU 53 HD23 LEU 53 -0.114 -1.475 4.608 368 H ARG 54 H ARG 54 6.351 -0.476 3.328 369 HA ARG 54 HA ARG 54 6.714 2.441 3.570 370 HB2 ARG 54 HB3 ARG 54 8.461 0.203 4.032 371 HB3 ARG 54 HB2 ARG 54 9.141 1.227 2.784 372 HG2 ARG 54 HG3 ARG 54 8.914 3.167 4.295 373 HG3 ARG 54 HG2 ARG 54 8.320 2.080 5.554 374 HD2 ARG 54 HD3 ARG 54 10.543 0.779 5.022 375 HD3 ARG 54 HD2 ARG 54 11.059 2.350 4.402 376 HE ARG 54 HE ARG 54 10.713 1.601 7.153 377 HH11 ARG 54 HH11 ARG 54 10.680 4.261 4.899 378 HH12 ARG 54 HH12 ARG 54 11.048 5.454 6.101 379 HH21 ARG 54 HH21 ARG 54 11.196 3.164 8.742 380 HH22 ARG 54 HH22 ARG 54 11.343 4.831 8.287 381 H TYR 55 H TYR 55 8.165 3.354 1.774 382 HA TYR 55 HA TYR 55 7.076 2.411 -0.796 383 HB2 TYR 55 HB3 TYR 55 7.874 5.091 0.243 384 HB3 TYR 55 HB2 TYR 55 7.979 4.798 -1.475 385 HD1 TYR 55 HD2 TYR 55 5.655 3.195 -2.075 386 HD2 TYR 55 HD1 TYR 55 6.037 6.441 0.648 387 HE1 TYR 55 HE2 TYR 55 3.251 3.661 -2.301 388 HE2 TYR 55 HE1 TYR 55 3.636 6.915 0.431 389 HH TYR 55 HH TYR 55 1.524 5.469 -0.219 390 H ARG 56 H ARG 56 8.382 1.507 -2.232 391 HA ARG 56 HA ARG 56 11.273 2.060 -2.067 392 HB2 ARG 56 HB3 ARG 56 10.951 -0.114 -1.082 393 HB3 ARG 56 HB2 ARG 56 9.932 -0.624 -2.422 394 HG2 ARG 56 HG3 ARG 56 12.140 -1.609 -2.591 395 HG3 ARG 56 HG2 ARG 56 11.845 -0.503 -3.935 396 HD2 ARG 56 HD3 ARG 56 13.124 1.238 -2.781 397 HD3 ARG 56 HD2 ARG 56 13.418 0.126 -1.437 398 HE ARG 56 HE ARG 56 14.311 -1.061 -3.829 399 HH11 ARG 56 HH11 ARG 56 15.106 1.558 -1.664 400 HH12 ARG 56 HH12 ARG 56 16.800 1.518 -2.031 401 HH21 ARG 56 HH21 ARG 56 16.539 -1.120 -4.313 402 HH22 ARG 56 HH22 ARG 56 17.614 -0.004 -3.537 403 H ASN 57 H ASN 57 11.628 3.248 -3.841 404 HA ASN 57 HA ASN 57 10.895 2.067 -6.427 405 HB2 ASN 57 HB3 ASN 57 9.431 4.120 -5.474 406 HB3 ASN 57 HB2 ASN 57 10.709 5.019 -6.262 407 HD21 ASN 57 HD21 ASN 57 8.882 5.752 -7.589 408 HD22 ASN 57 HD22 ASN 57 8.428 4.793 -8.962 409 HA PRO 58 HA PRO 58 15.236 2.940 -6.949 410 HB2 PRO 58 HB3 PRO 58 15.427 1.849 -9.431 411 HB3 PRO 58 HB2 PRO 58 15.373 0.882 -7.959 412 HG2 PRO 58 HG3 PRO 58 13.175 1.523 -9.880 413 HG3 PRO 58 HG2 PRO 58 13.563 -0.024 -9.100 414 HD2 PRO 58 HD3 PRO 58 11.582 1.594 -8.213 415 HD3 PRO 58 HD2 PRO 58 12.525 0.580 -7.127 416 H VAL 59 H VAL 59 12.629 3.889 -9.073 417 HA VAL 59 HA VAL 59 14.297 5.681 -10.628 418 HB VAL 59 HB VAL 59 12.147 6.367 -11.693 419 HG11 VAL 59 HG11 VAL 59 11.972 4.458 -13.023 420 HG12 VAL 59 HG12 VAL 59 13.612 4.364 -12.369 421 HG13 VAL 59 HG13 VAL 59 12.327 3.370 -11.677 422 HG21 VAL 59 HG21 VAL 59 10.932 4.206 -9.967 423 HG22 VAL 59 HG22 VAL 59 10.719 5.942 -9.708 424 HG23 VAL 59 HG23 VAL 59 10.104 5.190 -11.180 425 H SER 60 H SER 60 12.141 5.829 -7.892 426 HA SER 60 HA SER 60 12.023 8.731 -7.926 427 HB2 SER 60 HB3 SER 60 10.112 7.217 -7.184 428 HB3 SER 60 HB2 SER 60 11.052 6.915 -5.720 429 HG SER 60 HG SER 60 10.473 9.542 -6.588 430 H GLN 61 H GLN 61 13.796 6.185 -6.349 431 HA GLN 61 HA GLN 61 15.553 6.192 -4.900 432 HB2 GLN 61 HB3 GLN 61 15.852 9.066 -5.795 433 HB3 GLN 61 HB2 GLN 61 17.081 8.108 -4.980 434 HG2 GLN 61 HG3 GLN 61 15.911 7.233 -7.597 435 HG3 GLN 61 HG2 GLN 61 17.235 8.397 -7.522 436 HE21 GLN 61 HE21 GLN 61 16.265 5.163 -6.486 437 HE22 GLN 61 HE22 GLN 61 17.863 4.484 -6.501 438 H CYS 62 H CYS 62 12.821 7.166 -4.069 439 HA CYS 62 HA CYS 62 13.489 8.930 -1.833 440 HB2 CYS 62 HB3 CYS 62 11.366 9.040 -3.402 441 HB3 CYS 62 HB2 CYS 62 10.740 7.834 -2.282 442 HG CYS 62 HG CYS 62 11.586 11.073 -1.624 443 H MET 63 H MET 63 12.696 8.406 0.339 444 HA MET 63 HA MET 63 12.700 5.498 0.853 445 HB2 MET 63 HB3 MET 63 13.974 7.612 2.602 446 HB3 MET 63 HB2 MET 63 14.003 5.871 2.866 447 HG2 MET 63 HG3 MET 63 15.177 7.137 0.410 448 HG3 MET 63 HG2 MET 63 16.092 6.942 1.906 449 HE1 MET 63 HE1 MET 63 17.517 3.857 1.986 450 HE2 MET 63 HE2 MET 63 16.784 5.154 2.933 451 HE3 MET 63 HE3 MET 63 15.993 3.578 2.833 452 H ARG 64 H ARG 64 10.508 7.505 0.579 453 HA ARG 64 HA ARG 64 9.443 8.068 3.145 454 HB2 ARG 64 HB3 ARG 64 8.840 8.936 0.690 455 HB3 ARG 64 HB2 ARG 64 7.604 7.693 0.840 456 HG2 ARG 64 HG3 ARG 64 7.677 9.260 3.235 457 HG3 ARG 64 HG2 ARG 64 7.549 10.320 1.830 458 HD2 ARG 64 HD3 ARG 64 5.661 8.881 1.022 459 HD3 ARG 64 HD2 ARG 64 5.733 8.028 2.563 460 HE ARG 64 HE ARG 64 4.560 10.585 2.073 461 HH11 ARG 64 HH11 ARG 64 6.195 8.658 4.475 462 HH12 ARG 64 HH12 ARG 64 5.497 9.503 5.816 463 HH21 ARG 64 HH21 ARG 64 3.636 11.701 3.833 464 HH22 ARG 64 HH22 ARG 64 4.041 11.232 5.452 465 H GLY 65 H GLY 65 7.124 7.211 3.676 466 HA2 GLY 65 HA3 GLY 65 6.806 4.372 3.083 467 HA3 GLY 65 HA2 GLY 65 7.156 4.777 4.760 468 H VAL 66 H VAL 66 4.737 3.721 3.138 469 HA VAL 66 HA VAL 66 2.636 5.543 3.221 470 HB VAL 66 HB VAL 66 2.495 2.570 3.766 471 HG11 VAL 66 HG11 VAL 66 0.178 2.731 3.069 472 HG12 VAL 66 HG12 VAL 66 0.471 3.791 4.448 473 HG13 VAL 66 HG13 VAL 66 0.349 4.470 2.826 474 HG21 VAL 66 HG21 VAL 66 3.593 3.343 1.605 475 HG22 VAL 66 HG22 VAL 66 2.225 2.240 1.445 476 HG23 VAL 66 HG23 VAL 66 2.009 3.969 1.148 477 H ARG 67 H ARG 67 1.242 6.259 4.761 478 HA ARG 67 HA ARG 67 2.043 5.852 7.531 479 HB2 ARG 67 HB3 ARG 67 1.633 8.123 6.937 480 HB3 ARG 67 HB2 ARG 67 0.089 7.721 6.188 481 HG2 ARG 67 HG3 ARG 67 -0.300 8.810 8.293 482 HG3 ARG 67 HG2 ARG 67 -0.797 7.121 8.413 483 HD2 ARG 67 HD3 ARG 67 1.708 6.849 9.263 484 HD3 ARG 67 HD2 ARG 67 1.472 8.539 9.705 485 HE ARG 67 HE ARG 67 0.242 6.225 10.923 486 HH11 ARG 67 HH11 ARG 67 0.060 9.670 10.417 487 HH12 ARG 67 HH12 ARG 67 -0.913 9.956 11.824 488 HH21 ARG 67 HH21 ARG 67 -1.036 6.591 12.774 489 HH22 ARG 67 HH22 ARG 67 -1.535 8.205 13.164 490 H LEU 68 H LEU 68 0.864 4.845 9.084 491 HA LEU 68 HA LEU 68 -1.630 3.532 8.204 492 HB2 LEU 68 HB3 LEU 68 0.151 1.919 8.526 493 HB3 LEU 68 HB2 LEU 68 0.475 2.559 10.135 494 HG LEU 68 HG LEU 68 -0.843 0.341 9.868 495 HD11 LEU 68 HD11 LEU 68 -1.332 0.624 12.025 496 HD12 LEU 68 HD12 LEU 68 -2.399 1.990 11.695 497 HD13 LEU 68 HD13 LEU 68 -0.658 2.245 11.848 498 HD21 LEU 68 HD21 LEU 68 -3.050 0.400 9.299 499 HD22 LEU 68 HD22 LEU 68 -2.471 1.721 8.287 500 HD23 LEU 68 HD23 LEU 68 -3.259 2.071 9.824 501 H VAL 69 H VAL 69 -3.354 4.386 9.139 502 HA VAL 69 HA VAL 69 -3.208 5.077 12.000 503 HB VAL 69 HB VAL 69 -3.056 7.189 10.843 504 HG11 VAL 69 HG11 VAL 69 -4.065 6.312 8.704 505 HG12 VAL 69 HG12 VAL 69 -5.649 6.559 9.445 506 HG13 VAL 69 HG13 VAL 69 -4.574 7.932 9.179 507 HG21 VAL 69 HG21 VAL 69 -5.929 6.993 11.693 508 HG22 VAL 69 HG22 VAL 69 -4.610 6.848 12.859 509 HG23 VAL 69 HG23 VAL 69 -4.796 8.327 11.915 510 H GLU 70 H GLU 70 -4.674 3.969 13.097 511 HA GLU 70 HA GLU 70 -6.538 2.770 13.626 512 HB2 GLU 70 HB3 GLU 70 -7.867 4.499 11.531 513 HB3 GLU 70 HB2 GLU 70 -8.679 3.598 12.804 514 HG2 GLU 70 HG3 GLU 70 -6.779 5.902 13.198 515 HG3 GLU 70 HG2 GLU 70 -8.535 5.964 13.340 516 H GLY 71 H GLY 71 -4.788 1.964 11.315 517 HA2 GLY 71 HA3 GLY 71 -4.833 -0.132 10.226 518 HA3 GLY 71 HA2 GLY 71 -6.588 -0.121 10.317 519 H ILE 72 H ILE 72 -6.590 2.711 9.287 520 HA ILE 72 HA ILE 72 -6.715 1.998 6.490 521 HB ILE 72 HB ILE 72 -7.164 4.693 7.787 522 HG12 ILE 72 HG13 ILE 72 -9.627 3.759 7.080 523 HG13 ILE 72 HG12 ILE 72 -8.836 2.267 7.550 524 HG21 ILE 72 HG21 ILE 72 -7.102 5.371 5.654 525 HG22 ILE 72 HG22 ILE 72 -7.247 3.728 5.025 526 HG23 ILE 72 HG23 ILE 72 -8.690 4.606 5.525 527 HD11 ILE 72 HD11 ILE 72 -9.302 2.753 9.654 528 HD12 ILE 72 HD12 ILE 72 -8.214 4.139 9.543 529 HD13 ILE 72 HD13 ILE 72 -9.932 4.336 9.190 530 H LEU 73 H LEU 73 -4.948 1.970 5.275 531 HA LEU 73 HA LEU 73 -2.579 3.430 5.963 532 HB2 LEU 73 HB3 LEU 73 -3.387 1.699 3.650 533 HB3 LEU 73 HB2 LEU 73 -1.877 2.588 3.624 534 HG LEU 73 HG LEU 73 -1.455 0.320 4.297 535 HD11 LEU 73 HD11 LEU 73 -0.159 2.135 5.372 536 HD12 LEU 73 HD12 LEU 73 -0.296 0.692 6.375 537 HD13 LEU 73 HD13 LEU 73 -1.291 2.106 6.719 538 HD21 LEU 73 HD21 LEU 73 -3.840 0.049 5.210 539 HD22 LEU 73 HD22 LEU 73 -3.189 0.696 6.715 540 HD23 LEU 73 HD23 LEU 73 -2.532 -0.796 6.042 541 H HIS 74 H HIS 74 -2.431 5.551 5.694 542 HA HIS 74 HA HIS 74 -3.947 6.893 3.605 543 HB2 HIS 74 HB3 HIS 74 -3.871 7.934 5.799 544 HB3 HIS 74 HB2 HIS 74 -2.119 7.960 5.760 545 HD1 HIS 74 HD1 HIS 74 -4.185 8.992 2.797 546 HD2 HIS 74 HD2 HIS 74 -1.922 10.728 5.824 547 HE1 HIS 74 HE1 HIS 74 -3.952 11.416 2.161 548 HE2 HIS 74 HE2 HIS 74 -2.566 12.477 4.017 549 H ALA 75 H ALA 75 -3.146 7.748 1.765 550 HA ALA 75 HA ALA 75 -0.422 7.027 1.037 551 HB1 ALA 75 HB1 ALA 75 -1.522 8.372 -1.120 552 HB2 ALA 75 HB2 ALA 75 -1.559 8.390 -1.100 553 HB3 ALA 75 HB3 ALA 75 -2.898 7.515 -0.372 554 HA PRO 76 HA PRO 76 1.428 10.985 1.449 555 HB2 PRO 76 HB3 PRO 76 3.027 11.104 -0.747 556 HB3 PRO 76 HB2 PRO 76 3.366 10.053 0.634 557 HG2 PRO 76 HG3 PRO 76 2.103 9.381 -1.985 558 HG3 PRO 76 HG2 PRO 76 3.312 8.481 -1.077 559 HD2 PRO 76 HD3 PRO 76 0.689 7.815 -1.044 560 HD3 PRO 76 HD2 PRO 76 1.748 7.568 0.355 561 H ASP 77 H ASP 77 2.145 12.927 -0.151 562 HA ASP 77 HA ASP 77 -0.356 13.981 -1.132 563 HB2 ASP 77 HB3 ASP 77 1.465 15.289 0.103 564 HB3 ASP 77 HB2 ASP 77 2.354 15.276 -1.420 565 H ALA 78 H ALA 78 1.815 11.929 -2.469 566 HA ALA 78 HA ALA 78 1.500 13.025 -5.186 567 HB1 ALA 78 HB1 ALA 78 3.424 10.895 -4.231 568 HB2 ALA 78 HB2 ALA 78 3.430 10.929 -4.197 569 HB3 ALA 78 HB3 ALA 78 3.814 12.622 -4.479 570 H GLY 79 H GLY 79 0.812 10.297 -3.116 571 HA2 GLY 79 HA3 GLY 79 -1.291 9.122 -3.756 572 HA3 GLY 79 HA2 GLY 79 -0.613 9.024 -5.367 573 H TRP 80 H TRP 80 -1.101 6.703 -5.035 574 HA TRP 80 HA TRP 80 0.672 5.284 -3.219 575 HB2 TRP 80 HB3 TRP 80 -1.392 4.286 -5.197 576 HB3 TRP 80 HB2 TRP 80 -0.460 3.254 -4.129 577 HD1 TRP 80 HD1 TRP 80 -3.608 5.209 -4.269 578 HE1 TRP 80 HE1 TRP 80 -4.750 5.255 -1.957 579 HE3 TRP 80 HE3 TRP 80 0.241 3.397 -1.444 580 HZ2 TRP 80 HZ2 TRP 80 -4.091 4.597 0.707 581 HZ3 TRP 80 HZ3 TRP 80 -0.093 3.133 0.977 582 HH2 TRP 80 HH2 TRP 80 -2.214 3.722 2.028 583 H GLY 81 H GLY 81 0.013 5.118 -6.733 584 HA2 GLY 81 HA3 GLY 81 1.645 5.121 -8.434 585 HA3 GLY 81 HA2 GLY 81 2.887 4.850 -7.218 586 H ASN 82 H ASN 82 3.620 3.277 -8.876 587 HA ASN 82 HA ASN 82 2.278 0.686 -8.449 588 HB2 ASN 82 HB3 ASN 82 3.722 1.327 -11.008 589 HB3 ASN 82 HB2 ASN 82 2.538 0.057 -10.696 590 HD21 ASN 82 HD21 ASN 82 2.696 2.262 -12.706 591 HD22 ASN 82 HD22 ASN 82 1.175 3.087 -12.573 592 H LEU 83 H LEU 83 4.388 1.730 -6.893 593 HA LEU 83 HA LEU 83 6.767 0.277 -7.816 594 HB2 LEU 83 HB3 LEU 83 7.811 1.387 -5.784 595 HB3 LEU 83 HB2 LEU 83 7.346 2.430 -7.124 596 HG LEU 83 HG LEU 83 6.870 3.211 -4.717 597 HD11 LEU 83 HD11 LEU 83 4.315 3.525 -5.980 598 HD12 LEU 83 HD12 LEU 83 5.601 3.649 -7.181 599 HD13 LEU 83 HD13 LEU 83 5.612 4.704 -5.765 600 HD21 LEU 83 HD21 LEU 83 5.857 1.049 -4.013 601 HD22 LEU 83 HD22 LEU 83 4.499 1.385 -5.091 602 HD23 LEU 83 HD23 LEU 83 4.823 2.448 -3.724 603 H VAL 84 H VAL 84 8.027 -0.517 -5.632 604 HA VAL 84 HA VAL 84 6.273 -2.616 -4.591 605 HB VAL 84 HB VAL 84 9.267 -2.327 -4.259 606 HG11 VAL 84 HG11 VAL 84 9.203 -4.687 -3.667 607 HG12 VAL 84 HG12 VAL 84 8.173 -3.751 -2.584 608 HG13 VAL 84 HG13 VAL 84 7.454 -4.710 -3.877 609 HG21 VAL 84 HG21 VAL 84 9.356 -2.788 -6.448 610 HG22 VAL 84 HG22 VAL 84 8.838 -4.413 -5.994 611 HG23 VAL 84 HG23 VAL 84 7.646 -3.223 -6.519 612 H TYR 85 H TYR 85 5.930 -2.997 -2.417 613 HA TYR 85 HA TYR 85 6.709 -0.789 -0.618 614 HB2 TYR 85 HB3 TYR 85 4.641 -0.871 0.407 615 HB3 TYR 85 HB2 TYR 85 4.199 -1.260 -1.230 616 HD1 TYR 85 HD2 TYR 85 3.511 -3.520 -1.843 617 HD2 TYR 85 HD1 TYR 85 4.563 -2.559 2.165 618 HE1 TYR 85 HE2 TYR 85 2.476 -5.615 -1.077 619 HE2 TYR 85 HE1 TYR 85 3.527 -4.650 2.942 620 HH TYR 85 HH TYR 85 2.716 -6.664 2.272 621 H VAL 86 H VAL 86 7.412 -1.262 1.457 622 HA VAL 86 HA VAL 86 8.371 -4.017 1.813 623 HB VAL 86 HB VAL 86 9.184 -1.466 3.217 624 HG11 VAL 86 HG11 VAL 86 11.009 -2.852 4.166 625 HG12 VAL 86 HG12 VAL 86 9.406 -3.315 4.741 626 HG13 VAL 86 HG13 VAL 86 10.215 -4.287 3.507 627 HG21 VAL 86 HG21 VAL 86 10.301 -1.201 1.280 628 HG22 VAL 86 HG22 VAL 86 11.404 -2.389 1.980 629 HG23 VAL 86 HG23 VAL 86 10.158 -2.906 0.839 630 H VAL 87 H VAL 87 7.493 -5.335 3.265 631 HA VAL 87 HA VAL 87 5.267 -4.495 4.853 632 HB VAL 87 HB VAL 87 6.742 -7.092 5.218 633 HG11 VAL 87 HG11 VAL 87 4.627 -7.948 5.896 634 HG12 VAL 87 HG12 VAL 87 4.862 -6.421 6.748 635 HG13 VAL 87 HG13 VAL 87 3.789 -6.492 5.348 636 HG21 VAL 87 HG21 VAL 87 4.844 -6.322 3.008 637 HG22 VAL 87 HG22 VAL 87 6.494 -6.932 2.855 638 HG23 VAL 87 HG23 VAL 87 5.209 -7.993 3.438 639 H ASN 88 H ASN 88 5.083 -4.306 7.077 640 HA ASN 88 HA ASN 88 7.503 -4.550 8.702 641 HB2 ASN 88 HB3 ASN 88 7.233 -2.161 7.743 642 HB3 ASN 88 HB2 ASN 88 5.884 -2.014 8.862 643 HD21 ASN 88 HD21 ASN 88 6.539 -0.771 10.463 644 HD22 ASN 88 HD22 ASN 88 8.020 -0.961 11.356 645 H TYR 89 H TYR 89 6.441 -6.282 9.713 646 HA TYR 89 HA TYR 89 4.586 -5.450 11.793 647 HB2 TYR 89 HB3 TYR 89 2.854 -6.985 11.278 648 HB3 TYR 89 HB2 TYR 89 3.217 -6.159 9.764 649 HD1 TYR 89 HD1 TYR 89 5.237 -7.433 8.422 650 HD2 TYR 89 HD2 TYR 89 2.454 -9.240 11.083 651 HE1 TYR 89 HE1 TYR 89 5.603 -9.600 7.321 652 HE2 TYR 89 HE2 TYR 89 2.807 -11.411 9.989 653 HH TYR 89 HH TYR 89 5.226 -11.810 7.433 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.312 31.674 -22.839 2 H2 MET 1 H2 MET 1 0.624 32.787 -21.656 3 H3 MET 1 H3 MET 1 1.263 31.265 -21.549 4 HA MET 1 HA MET 1 -0.388 30.836 -20.230 5 HB2 MET 1 HB3 MET 1 -0.910 33.366 -20.392 6 HB3 MET 1 HB2 MET 1 -2.160 32.888 -21.536 7 HG2 MET 1 HG3 MET 1 -3.341 31.677 -19.907 8 HG3 MET 1 HG2 MET 1 -1.976 31.694 -18.790 9 HE1 MET 1 HE1 MET 1 -4.346 33.750 -20.832 10 HE2 MET 1 HE2 MET 1 -4.844 35.091 -19.797 11 HE3 MET 1 HE3 MET 1 -3.313 35.173 -20.676 12 H ALA 2 H ALA 2 -1.734 29.142 -20.420 13 HA ALA 2 HA ALA 2 -2.990 28.683 -23.057 14 HB1 ALA 2 HB1 ALA 2 -2.142 26.405 -21.299 15 HB2 ALA 2 HB2 ALA 2 -2.106 26.431 -21.288 16 HB3 ALA 2 HB3 ALA 2 -0.970 27.216 -22.380 17 H GLY 3 H GLY 3 -3.219 28.320 -19.561 18 HA2 GLY 3 HA3 GLY 3 -5.794 28.861 -19.123 19 HA3 GLY 3 HA2 GLY 3 -5.916 27.223 -19.755 20 H SER 4 H SER 4 -6.742 26.412 -17.819 21 HA SER 4 HA SER 4 -4.996 26.566 -15.463 22 HB2 SER 4 HB3 SER 4 -7.314 27.112 -15.030 23 HB3 SER 4 HB2 SER 4 -7.850 25.608 -15.784 24 HG SER 4 HG SER 4 -7.676 24.781 -13.867 25 H HIS 5 H HIS 5 -3.474 25.048 -15.418 26 HA HIS 5 HA HIS 5 -3.461 22.644 -16.817 27 HB2 HIS 5 HB3 HIS 5 -1.546 23.860 -15.563 28 HB3 HIS 5 HB2 HIS 5 -2.076 22.936 -14.159 29 HD1 HIS 5 HD1 HIS 5 -2.169 21.353 -17.544 30 HD2 HIS 5 HD2 HIS 5 0.281 21.414 -14.181 31 HE1 HIS 5 HE1 HIS 5 -0.533 19.466 -17.863 32 HE2 HIS 5 HE2 HIS 5 0.966 19.506 -15.801 33 H HIS 6 H HIS 6 -3.932 22.963 -13.290 34 HA HIS 6 HA HIS 6 -5.050 20.312 -13.123 35 HB2 HIS 6 HB3 HIS 6 -5.217 20.719 -10.755 36 HB3 HIS 6 HB2 HIS 6 -3.667 21.348 -11.312 37 HD1 HIS 6 HD1 HIS 6 -4.993 22.348 -8.696 38 HD2 HIS 6 HD2 HIS 6 -5.368 24.210 -12.399 39 HE1 HIS 6 HE1 HIS 6 -5.570 24.747 -8.194 40 HE2 HIS 6 HE2 HIS 6 -5.798 25.884 -10.464 41 H HIS 7 H HIS 7 -7.164 19.949 -11.993 42 HA HIS 7 HA HIS 7 -9.198 21.626 -13.270 43 HB2 HIS 7 HB3 HIS 7 -9.293 18.895 -11.985 44 HB3 HIS 7 HB2 HIS 7 -10.744 19.756 -12.499 45 HD1 HIS 7 HD1 HIS 7 -9.235 17.034 -13.659 46 HD2 HIS 7 HD2 HIS 7 -9.667 20.772 -15.436 47 HE1 HIS 7 HE1 HIS 7 -9.010 16.638 -16.136 48 HE2 HIS 7 HE2 HIS 7 -9.276 18.928 -17.221 49 H HIS 8 H HIS 8 -10.879 22.609 -12.160 50 HA HIS 8 HA HIS 8 -10.254 23.364 -9.438 51 HB2 HIS 8 HB3 HIS 8 -11.105 24.978 -11.163 52 HB3 HIS 8 HB2 HIS 8 -12.659 24.148 -11.099 53 HD1 HIS 8 HD1 HIS 8 -10.525 25.043 -8.101 54 HD2 HIS 8 HD2 HIS 8 -14.138 26.098 -9.875 55 HE1 HIS 8 HE1 HIS 8 -11.662 26.584 -6.463 56 HE2 HIS 8 HE2 HIS 8 -13.872 27.227 -7.554 57 H HIS 9 H HIS 9 -12.646 21.408 -11.112 58 HA HIS 9 HA HIS 9 -14.419 21.042 -8.942 59 HB2 HIS 9 HB3 HIS 9 -14.623 20.442 -11.510 60 HB3 HIS 9 HB2 HIS 9 -14.016 18.878 -10.969 61 HD1 HIS 9 HD1 HIS 9 -17.012 21.097 -10.830 62 HD2 HIS 9 HD2 HIS 9 -15.798 17.392 -9.374 63 HE1 HIS 9 HE1 HIS 9 -19.103 19.987 -9.969 64 HE2 HIS 9 HE2 HIS 9 -18.355 17.718 -9.081 65 H HIS 10 H HIS 10 -14.699 19.231 -7.563 66 HA HIS 10 HA HIS 10 -12.220 18.210 -6.525 67 HB2 HIS 10 HB3 HIS 10 -15.116 17.861 -5.766 68 HB3 HIS 10 HB2 HIS 10 -13.844 16.921 -4.985 69 HD1 HIS 10 HD1 HIS 10 -11.710 19.134 -4.682 70 HD2 HIS 10 HD2 HIS 10 -15.742 19.611 -3.774 71 HE1 HIS 10 HE1 HIS 10 -11.813 21.033 -3.029 72 HE2 HIS 10 HE2 HIS 10 -14.284 21.323 -2.477 73 H GLY 11 H GLY 11 -11.385 16.176 -6.639 74 HA2 GLY 11 HA3 GLY 11 -12.071 14.575 -8.879 75 HA3 GLY 11 HA2 GLY 11 -10.957 14.126 -7.593 76 H SER 12 H SER 12 -13.959 13.533 -9.012 77 HA SER 12 HA SER 12 -15.196 12.376 -6.660 78 HB2 SER 12 HB3 SER 12 -16.153 11.961 -9.484 79 HB3 SER 12 HB2 SER 12 -17.097 12.029 -7.993 80 HG SER 12 HG SER 12 -16.573 14.268 -7.876 81 H MET 13 H MET 13 -13.263 11.332 -9.352 82 HA MET 13 HA MET 13 -13.868 8.528 -9.016 83 HB2 MET 13 HB3 MET 13 -13.260 9.414 -11.217 84 HB3 MET 13 HB2 MET 13 -11.687 9.907 -10.598 85 HG2 MET 13 HG3 MET 13 -11.472 7.873 -11.863 86 HG3 MET 13 HG2 MET 13 -11.137 7.557 -10.160 87 HE1 MET 13 HE1 MET 13 -12.961 4.542 -12.192 88 HE2 MET 13 HE2 MET 13 -13.172 5.982 -13.192 89 HE3 MET 13 HE3 MET 13 -11.604 5.643 -12.452 90 H SER 14 H SER 14 -13.152 7.430 -7.320 91 HA SER 14 HA SER 14 -11.065 8.283 -5.624 92 HB2 SER 14 HB3 SER 14 -12.005 5.424 -5.844 93 HB3 SER 14 HB2 SER 14 -11.412 6.274 -4.416 94 HG SER 14 HG SER 14 -13.401 7.697 -5.024 95 H GLU 15 H GLU 15 -8.951 7.606 -5.375 96 HA GLU 15 HA GLU 15 -7.722 6.541 -7.799 97 HB2 GLU 15 HB3 GLU 15 -6.461 7.613 -5.265 98 HB3 GLU 15 HB2 GLU 15 -5.597 7.180 -6.732 99 HG2 GLU 15 HG3 GLU 15 -7.763 9.251 -6.742 100 HG3 GLU 15 HG2 GLU 15 -6.096 9.647 -6.320 101 H TYR 16 H TYR 16 -6.609 4.642 -7.947 102 HA TYR 16 HA TYR 16 -7.137 2.693 -5.839 103 HB2 TYR 16 HB3 TYR 16 -6.361 1.033 -7.503 104 HB3 TYR 16 HB2 TYR 16 -7.671 2.031 -8.118 105 HD1 TYR 16 HD1 TYR 16 -4.059 1.341 -8.339 106 HD2 TYR 16 HD2 TYR 16 -7.330 3.533 -9.963 107 HE1 TYR 16 HE1 TYR 16 -2.692 1.933 -10.293 108 HE2 TYR 16 HE2 TYR 16 -5.966 4.128 -11.921 109 HH TYR 16 HH TYR 16 -3.883 4.140 -12.779 110 H ILE 17 H ILE 17 -5.365 1.065 -5.388 111 HA ILE 17 HA ILE 17 -2.777 2.470 -5.142 112 HB ILE 17 HB ILE 17 -3.747 2.280 -2.953 113 HG12 ILE 17 HG13 ILE 17 -1.628 0.172 -3.389 114 HG13 ILE 17 HG12 ILE 17 -1.342 1.864 -3.092 115 HG21 ILE 17 HG21 ILE 17 -3.842 -0.556 -2.594 116 HG22 ILE 17 HG22 ILE 17 -5.118 0.634 -2.379 117 HG23 ILE 17 HG23 ILE 17 -4.858 -0.098 -3.958 118 HD11 ILE 17 HD11 ILE 17 -2.535 -0.111 -1.172 119 HD12 ILE 17 HD12 ILE 17 -0.939 0.639 -1.081 120 HD13 ILE 17 HD13 ILE 17 -2.389 1.621 -0.872 121 H ARG 18 H ARG 18 -1.136 1.540 -6.155 122 HA ARG 18 HA ARG 18 -1.303 -1.353 -6.732 123 HB2 ARG 18 HB3 ARG 18 -0.768 0.937 -8.472 124 HB3 ARG 18 HB2 ARG 18 0.450 -0.317 -8.591 125 HG2 ARG 18 HG3 ARG 18 -1.504 -1.941 -8.882 126 HG3 ARG 18 HG2 ARG 18 -2.475 -0.494 -9.178 127 HD2 ARG 18 HD3 ARG 18 -0.036 -1.382 -10.717 128 HD3 ARG 18 HD2 ARG 18 -1.707 -1.421 -11.280 129 HE ARG 18 HE ARG 18 -0.787 1.202 -10.509 130 HH11 ARG 18 HH11 ARG 18 -1.008 -1.131 -13.090 131 HH12 ARG 18 HH12 ARG 18 -0.882 0.055 -14.349 132 HH21 ARG 18 HH21 ARG 18 -0.622 2.769 -12.158 133 HH22 ARG 18 HH22 ARG 18 -0.660 2.273 -13.817 134 H VAL 19 H VAL 19 -0.004 -2.302 -5.289 135 HA VAL 19 HA VAL 19 2.816 -1.544 -5.277 136 HB VAL 19 HB VAL 19 2.864 -1.792 -2.756 137 HG11 VAL 19 HG11 VAL 19 1.277 0.631 -3.215 138 HG12 VAL 19 HG12 VAL 19 2.926 0.448 -2.603 139 HG13 VAL 19 HG13 VAL 19 2.614 0.403 -4.341 140 HG21 VAL 19 HG21 VAL 19 0.791 -1.292 -1.554 141 HG22 VAL 19 HG22 VAL 19 -0.099 -1.304 -3.078 142 HG23 VAL 19 HG23 VAL 19 0.651 -2.788 -2.482 143 H THR 20 H THR 20 4.222 -3.198 -4.538 144 HA THR 20 HA THR 20 2.954 -5.861 -4.330 145 HB THR 20 HB THR 20 3.892 -5.987 -6.448 146 HG1 THR 20 HG1 THR 20 4.756 -7.712 -5.345 147 HG21 THR 20 HG21 THR 20 6.049 -4.216 -5.349 148 HG22 THR 20 HG22 THR 20 5.008 -3.963 -6.750 149 HG23 THR 20 HG23 THR 20 6.314 -5.148 -6.820 150 H GLU 21 H GLU 21 4.140 -7.460 -3.140 151 HA GLU 21 HA GLU 21 5.369 -6.379 -0.788 152 HB2 GLU 21 HB3 GLU 21 4.319 -8.941 -1.670 153 HB3 GLU 21 HB2 GLU 21 5.809 -9.123 -0.786 154 HG2 GLU 21 HG3 GLU 21 4.650 -7.490 0.908 155 HG3 GLU 21 HG2 GLU 21 3.192 -8.110 0.146 156 H ASP 22 H ASP 22 6.525 -8.439 -3.451 157 HA ASP 22 HA ASP 22 9.285 -7.889 -2.592 158 HB2 ASP 22 HB3 ASP 22 8.015 -10.121 -4.137 159 HB3 ASP 22 HB2 ASP 22 9.729 -9.777 -4.357 160 H GLU 23 H GLU 23 10.860 -7.906 -4.562 161 HA GLU 23 HA GLU 23 10.063 -5.686 -6.230 162 HB2 GLU 23 HB3 GLU 23 12.639 -7.238 -6.442 163 HB3 GLU 23 HB2 GLU 23 12.333 -5.568 -6.907 164 HG2 GLU 23 HG3 GLU 23 12.103 -4.927 -4.584 165 HG3 GLU 23 HG2 GLU 23 12.311 -6.605 -4.079 166 H ASN 24 H ASN 24 10.997 -9.075 -6.738 167 HA ASN 24 HA ASN 24 10.692 -9.003 -9.565 168 HB2 ASN 24 HB3 ASN 24 11.891 -10.740 -7.953 169 HB3 ASN 24 HB2 ASN 24 10.332 -11.554 -8.054 170 HD21 ASN 24 HD21 ASN 24 10.090 -12.938 -9.649 171 HD22 ASN 24 HD22 ASN 24 11.011 -12.969 -11.121 172 H ASP 25 H ASP 25 8.496 -9.449 -6.917 173 HA ASP 25 HA ASP 25 6.398 -10.683 -8.419 174 HB2 ASP 25 HB3 ASP 25 6.617 -9.416 -5.712 175 HB3 ASP 25 HB2 ASP 25 5.021 -9.751 -6.382 176 H GLU 26 H GLU 26 4.966 -9.787 -9.748 177 HA GLU 26 HA GLU 26 5.135 -7.121 -10.582 178 HB2 GLU 26 HB3 GLU 26 3.989 -8.106 -12.230 179 HB3 GLU 26 HB2 GLU 26 3.509 -9.437 -11.186 180 HG2 GLU 26 HG3 GLU 26 1.635 -8.133 -10.351 181 HG3 GLU 26 HG2 GLU 26 2.123 -6.768 -11.357 182 HA PRO 27 HA PRO 27 2.839 -4.822 -7.623 183 HB2 PRO 27 HB3 PRO 27 1.886 -2.828 -9.187 184 HB3 PRO 27 HB2 PRO 27 3.576 -2.938 -8.712 185 HG2 PRO 27 HG3 PRO 27 2.278 -3.761 -11.284 186 HG3 PRO 27 HG2 PRO 27 3.814 -2.909 -11.029 187 HD2 PRO 27 HD3 PRO 27 3.692 -5.559 -11.566 188 HD3 PRO 27 HD2 PRO 27 4.956 -4.850 -10.538 189 H ILE 28 H ILE 28 0.985 -5.477 -6.748 190 HA ILE 28 HA ILE 28 -1.241 -6.285 -8.438 191 HB ILE 28 HB ILE 28 -0.727 -7.721 -6.565 192 HG12 ILE 28 HG13 ILE 28 -2.937 -7.740 -5.424 193 HG13 ILE 28 HG12 ILE 28 -3.285 -6.158 -6.114 194 HG21 ILE 28 HG21 ILE 28 -1.032 -5.209 -4.941 195 HG22 ILE 28 HG22 ILE 28 -1.146 -6.815 -4.220 196 HG23 ILE 28 HG23 ILE 28 0.346 -6.313 -5.019 197 HD11 ILE 28 HD11 ILE 28 -2.569 -7.758 -8.283 198 HD12 ILE 28 HD12 ILE 28 -3.604 -8.766 -7.269 199 HD13 ILE 28 HD13 ILE 28 -4.183 -7.202 -7.841 200 H GLU 29 H GLU 29 -3.251 -5.334 -8.496 201 HA GLU 29 HA GLU 29 -3.379 -2.609 -7.376 202 HB2 GLU 29 HB3 GLU 29 -5.375 -2.599 -9.169 203 HB3 GLU 29 HB2 GLU 29 -3.716 -2.193 -9.583 204 HG2 GLU 29 HG3 GLU 29 -4.600 -3.688 -11.234 205 HG3 GLU 29 HG2 GLU 29 -3.347 -4.518 -10.310 206 H ILE 30 H ILE 30 -4.735 -2.245 -5.761 207 HA ILE 30 HA ILE 30 -7.096 -3.996 -5.479 208 HB ILE 30 HB ILE 30 -6.695 -3.362 -2.918 209 HG12 ILE 30 HG13 ILE 30 -3.859 -3.825 -3.744 210 HG13 ILE 30 HG12 ILE 30 -4.498 -2.200 -3.811 211 HG21 ILE 30 HG21 ILE 30 -5.284 -5.619 -4.338 212 HG22 ILE 30 HG22 ILE 30 -5.698 -5.566 -2.622 213 HG23 ILE 30 HG23 ILE 30 -6.978 -5.614 -3.837 214 HD11 ILE 30 HD11 ILE 30 -4.986 -2.223 -1.468 215 HD12 ILE 30 HD12 ILE 30 -4.544 -3.928 -1.356 216 HD13 ILE 30 HD13 ILE 30 -3.309 -2.719 -1.713 217 HA PRO 31 HA PRO 31 -9.564 -0.393 -5.064 218 HB2 PRO 31 HB3 PRO 31 -11.361 -1.133 -3.162 219 HB3 PRO 31 HB2 PRO 31 -11.379 -1.783 -4.809 220 HG2 PRO 31 HG3 PRO 31 -10.265 -2.992 -2.304 221 HG3 PRO 31 HG2 PRO 31 -11.215 -3.760 -3.592 222 HD2 PRO 31 HD3 PRO 31 -8.525 -4.004 -3.423 223 HD3 PRO 31 HD2 PRO 31 -9.385 -3.991 -4.977 224 H SER 32 H SER 32 -9.703 1.498 -3.934 225 HA SER 32 HA SER 32 -8.719 1.517 -1.157 226 HB2 SER 32 HB3 SER 32 -7.957 3.697 -3.086 227 HB3 SER 32 HB2 SER 32 -7.210 3.271 -1.545 228 HG SER 32 HG SER 32 -7.118 1.770 -3.953 229 H GLU 33 H GLU 33 -8.947 4.049 -0.444 230 HA GLU 33 HA GLU 33 -11.817 4.494 -0.556 231 HB2 GLU 33 HB3 GLU 33 -9.973 4.780 1.437 232 HB3 GLU 33 HB2 GLU 33 -10.144 6.441 0.887 233 HG2 GLU 33 HG3 GLU 33 -11.648 5.898 2.747 234 HG3 GLU 33 HG2 GLU 33 -12.516 6.385 1.289 235 H ASP 34 H ASP 34 -12.470 6.930 -0.583 236 HA ASP 34 HA ASP 34 -11.659 7.938 -3.166 237 HB2 ASP 34 HB3 ASP 34 -13.398 9.649 -2.786 238 HB3 ASP 34 HB2 ASP 34 -14.013 8.014 -2.532 239 H ASP 35 H ASP 35 -11.218 8.814 0.206 240 HA ASP 35 HA ASP 35 -10.159 11.397 -0.194 241 HB2 ASP 35 HB3 ASP 35 -9.034 10.902 2.084 242 HB3 ASP 35 HB2 ASP 35 -10.796 10.935 2.008 243 H GLY 36 H GLY 36 -8.849 8.281 -0.763 244 HA2 GLY 36 HA3 GLY 36 -6.867 8.286 -2.232 245 HA3 GLY 36 HA2 GLY 36 -6.185 9.500 -1.179 246 H THR 37 H THR 37 -7.580 7.731 1.032 247 HA THR 37 HA THR 37 -5.154 6.233 1.602 248 HB THR 37 HB THR 37 -6.043 5.854 3.779 249 HG1 THR 37 HG1 THR 37 -8.529 7.021 3.155 250 HG21 THR 37 HG21 THR 37 -5.712 7.972 4.395 251 HG22 THR 37 HG22 THR 37 -7.260 8.464 3.699 252 HG23 THR 37 HG23 THR 37 -5.811 8.430 2.692 253 H VAL 38 H VAL 38 -5.868 4.031 2.898 254 HA VAL 38 HA VAL 38 -7.642 2.495 1.121 255 HB VAL 38 HB VAL 38 -4.812 1.744 1.863 256 HG11 VAL 38 HG11 VAL 38 -5.398 -0.360 0.509 257 HG12 VAL 38 HG12 VAL 38 -5.961 -0.263 2.180 258 HG13 VAL 38 HG13 VAL 38 -7.079 0.057 0.849 259 HG21 VAL 38 HG21 VAL 38 -4.301 1.903 -0.376 260 HG22 VAL 38 HG22 VAL 38 -5.974 1.670 -0.886 261 HG23 VAL 38 HG23 VAL 38 -5.467 3.212 -0.199 262 H LEU 39 H LEU 39 -8.908 1.046 2.140 263 HA LEU 39 HA LEU 39 -9.038 1.086 4.987 264 HB2 LEU 39 HB3 LEU 39 -10.797 0.526 2.997 265 HB3 LEU 39 HB2 LEU 39 -10.418 -1.098 3.574 266 HG LEU 39 HG LEU 39 -11.077 -0.351 5.870 267 HD11 LEU 39 HD11 LEU 39 -12.664 1.718 5.734 268 HD12 LEU 39 HD12 LEU 39 -11.654 2.155 4.355 269 HD13 LEU 39 HD13 LEU 39 -10.925 1.943 5.947 270 HD21 LEU 39 HD21 LEU 39 -13.586 -0.106 5.164 271 HD22 LEU 39 HD22 LEU 39 -12.719 -1.616 4.876 272 HD23 LEU 39 HD23 LEU 39 -12.957 -0.467 3.554 273 H LEU 40 H LEU 40 -8.470 -0.438 6.486 274 HA LEU 40 HA LEU 40 -6.239 -2.055 5.976 275 HB2 LEU 40 HB3 LEU 40 -7.085 -1.152 8.197 276 HB3 LEU 40 HB2 LEU 40 -8.207 -2.509 8.208 277 HG LEU 40 HG LEU 40 -6.110 -2.792 9.581 278 HD11 LEU 40 HD11 LEU 40 -5.870 -5.008 7.740 279 HD12 LEU 40 HD12 LEU 40 -7.558 -4.604 8.057 280 HD13 LEU 40 HD13 LEU 40 -6.475 -4.976 9.398 281 HD21 LEU 40 HD21 LEU 40 -4.053 -3.334 8.453 282 HD22 LEU 40 HD22 LEU 40 -4.587 -1.735 7.936 283 HD23 LEU 40 HD23 LEU 40 -4.815 -3.126 6.878 284 H SER 41 H SER 41 -9.666 -2.740 5.824 285 HA SER 41 HA SER 41 -9.590 -5.539 5.853 286 HB2 SER 41 HB3 SER 41 -11.663 -4.148 5.983 287 HB3 SER 41 HB2 SER 41 -11.492 -3.800 4.259 288 HG SER 41 HG SER 41 -12.181 -6.196 5.546 289 H THR 42 H THR 42 -8.777 -3.251 3.361 290 HA THR 42 HA THR 42 -8.734 -5.258 1.262 291 HB THR 42 HB THR 42 -7.648 -2.442 1.115 292 HG1 THR 42 HG1 THR 42 -9.690 -1.801 0.507 293 HG21 THR 42 HG21 THR 42 -7.766 -2.673 -1.210 294 HG22 THR 42 HG22 THR 42 -8.840 -4.070 -1.111 295 HG23 THR 42 HG23 THR 42 -7.139 -4.229 -0.673 296 H VAL 43 H VAL 43 -6.501 -3.693 3.443 297 HA VAL 43 HA VAL 43 -4.092 -4.344 2.094 298 HB VAL 43 HB VAL 43 -4.724 -3.708 4.970 299 HG11 VAL 43 HG11 VAL 43 -2.908 -5.072 5.352 300 HG12 VAL 43 HG12 VAL 43 -2.165 -4.704 3.791 301 HG13 VAL 43 HG13 VAL 43 -2.121 -3.514 5.094 302 HG21 VAL 43 HG21 VAL 43 -2.913 -1.882 4.057 303 HG22 VAL 43 HG22 VAL 43 -3.825 -2.245 2.591 304 HG23 VAL 43 HG23 VAL 43 -4.665 -1.667 4.033 305 H THR 44 H THR 44 -6.124 -6.104 4.355 306 HA THR 44 HA THR 44 -4.213 -8.246 4.694 307 HB THR 44 HB THR 44 -5.960 -9.365 5.984 308 HG1 THR 44 HG1 THR 44 -7.619 -7.221 5.088 309 HG21 THR 44 HG21 THR 44 -5.312 -8.063 7.672 310 HG22 THR 44 HG22 THR 44 -6.546 -6.886 7.217 311 HG23 THR 44 HG23 THR 44 -4.917 -6.763 6.545 312 H ALA 45 H ALA 45 -6.526 -7.396 2.359 313 HA ALA 45 HA ALA 45 -7.429 -9.953 1.547 314 HB1 ALA 45 HB1 ALA 45 -7.162 -7.923 -0.572 315 HB2 ALA 45 HB2 ALA 45 -7.153 -7.892 -0.541 316 HB3 ALA 45 HB3 ALA 45 -8.085 -7.418 0.873 317 H GLN 46 H GLN 46 -4.712 -7.928 0.476 318 HA GLN 46 HA GLN 46 -3.674 -10.252 -1.018 319 HB2 GLN 46 HB3 GLN 46 -3.087 -7.313 -1.438 320 HB3 GLN 46 HB2 GLN 46 -2.407 -8.634 -2.367 321 HG2 GLN 46 HG3 GLN 46 -5.344 -8.003 -2.210 322 HG3 GLN 46 HG2 GLN 46 -4.269 -7.455 -3.497 323 HE21 GLN 46 HE21 GLN 46 -6.639 -9.189 -3.583 324 HE22 GLN 46 HE22 GLN 46 -6.112 -10.670 -4.319 325 H PHE 47 H PHE 47 -3.163 -8.150 1.620 326 HA PHE 47 HA PHE 47 -0.509 -9.350 2.047 327 HB2 PHE 47 HB3 PHE 47 -1.008 -6.520 2.891 328 HB3 PHE 47 HB2 PHE 47 0.504 -7.327 2.579 329 HD1 PHE 47 HD2 PHE 47 0.572 -8.278 0.000 330 HD2 PHE 47 HD1 PHE 47 -1.544 -4.861 1.412 331 HE1 PHE 47 HE2 PHE 47 0.602 -7.328 -2.266 332 HE2 PHE 47 HE1 PHE 47 -1.518 -3.905 -0.854 333 HZ PHE 47 HZ PHE 47 -0.448 -5.134 -2.699 334 HA PRO 48 HA PRO 48 -3.305 -9.918 5.704 335 HB2 PRO 48 HB3 PRO 48 -2.671 -12.536 6.069 336 HB3 PRO 48 HB2 PRO 48 -3.948 -11.997 4.973 337 HG2 PRO 48 HG3 PRO 48 -1.129 -12.798 4.353 338 HG3 PRO 48 HG2 PRO 48 -2.623 -13.209 3.494 339 HD2 PRO 48 HD3 PRO 48 -0.943 -11.270 2.637 340 HD3 PRO 48 HD2 PRO 48 -2.699 -11.184 2.389 341 H GLY 49 H GLY 49 -2.555 -9.371 7.652 342 HA2 GLY 49 HA3 GLY 49 -1.202 -9.538 9.552 343 HA3 GLY 49 HA2 GLY 49 -0.067 -10.515 8.647 344 H ALA 50 H ALA 50 -0.868 -7.821 6.851 345 HA ALA 50 HA ALA 50 1.728 -6.637 7.328 346 HB1 ALA 50 HB1 ALA 50 1.189 -6.645 5.067 347 HB2 ALA 50 HB2 ALA 50 1.215 -6.614 5.080 348 HB3 ALA 50 HB3 ALA 50 0.789 -4.976 5.561 349 H CYS 51 H CYS 51 2.069 -5.255 8.924 350 HA CYS 51 HA CYS 51 -0.163 -3.663 9.960 351 HB2 CYS 51 HB3 CYS 51 1.528 -5.048 11.387 352 HB3 CYS 51 HB2 CYS 51 2.599 -3.678 11.138 353 HG CYS 51 HG CYS 51 1.157 -3.731 13.684 354 H GLY 52 H GLY 52 3.233 -3.179 8.962 355 HA2 GLY 52 HA3 GLY 52 2.490 -0.417 8.232 356 HA3 GLY 52 HA2 GLY 52 4.011 -0.789 8.989 357 H LEU 53 H LEU 53 2.943 0.236 6.224 358 HA LEU 53 HA LEU 53 4.672 -1.517 4.594 359 HB2 LEU 53 HB3 LEU 53 2.501 0.276 3.539 360 HB3 LEU 53 HB2 LEU 53 3.354 -1.004 2.689 361 HG LEU 53 HG LEU 53 1.292 -1.959 3.076 362 HD11 LEU 53 HD11 LEU 53 2.345 -2.875 5.682 363 HD12 LEU 53 HD12 LEU 53 3.403 -3.081 4.287 364 HD13 LEU 53 HD13 LEU 53 1.794 -3.800 4.285 365 HD21 LEU 53 HD21 LEU 53 1.175 -1.091 5.943 366 HD22 LEU 53 HD22 LEU 53 -0.139 -1.548 4.858 367 HD23 LEU 53 HD23 LEU 53 0.677 0.004 4.651 368 H ARG 54 H ARG 54 6.300 -0.633 3.425 369 HA ARG 54 HA ARG 54 6.759 2.252 3.810 370 HB2 ARG 54 HB3 ARG 54 8.431 0.002 4.172 371 HB3 ARG 54 HB2 ARG 54 9.063 0.870 2.786 372 HG2 ARG 54 HG3 ARG 54 9.087 2.939 4.162 373 HG3 ARG 54 HG2 ARG 54 8.598 1.965 5.552 374 HD2 ARG 54 HD3 ARG 54 10.762 0.594 4.490 375 HD3 ARG 54 HD2 ARG 54 11.213 2.292 4.329 376 HE ARG 54 HE ARG 54 11.105 0.781 6.736 377 HH11 ARG 54 HH11 ARG 54 10.510 3.961 5.436 378 HH12 ARG 54 HH12 ARG 54 10.798 4.772 6.941 379 HH21 ARG 54 HH21 ARG 54 11.485 1.839 8.719 380 HH22 ARG 54 HH22 ARG 54 11.354 3.565 8.808 381 H TYR 55 H TYR 55 8.140 3.237 1.995 382 HA TYR 55 HA TYR 55 6.950 2.425 -0.581 383 HB2 TYR 55 HB3 TYR 55 7.636 5.093 0.586 384 HB3 TYR 55 HB2 TYR 55 7.647 4.897 -1.151 385 HD1 TYR 55 HD1 TYR 55 5.398 3.243 -1.767 386 HD2 TYR 55 HD2 TYR 55 5.740 6.237 1.236 387 HE1 TYR 55 HE1 TYR 55 2.961 3.566 -1.821 388 HE2 TYR 55 HE2 TYR 55 3.304 6.568 1.192 389 HH TYR 55 HH TYR 55 1.325 5.605 0.507 390 H ARG 56 H ARG 56 8.259 1.702 -2.115 391 HA ARG 56 HA ARG 56 11.111 2.434 -2.005 392 HB2 ARG 56 HB3 ARG 56 10.882 0.163 -1.146 393 HB3 ARG 56 HB2 ARG 56 9.967 -0.307 -2.573 394 HG2 ARG 56 HG3 ARG 56 12.270 -1.091 -2.683 395 HG3 ARG 56 HG2 ARG 56 11.918 0.061 -3.974 396 HD2 ARG 56 HD3 ARG 56 12.964 1.846 -2.630 397 HD3 ARG 56 HD2 ARG 56 13.367 0.651 -1.392 398 HE ARG 56 HE ARG 56 14.708 1.080 -3.909 399 HH11 ARG 56 HH11 ARG 56 14.052 -1.198 -1.349 400 HH12 ARG 56 HH12 ARG 56 15.470 -2.149 -1.653 401 HH21 ARG 56 HH21 ARG 56 16.577 -0.165 -4.313 402 HH22 ARG 56 HH22 ARG 56 16.906 -1.560 -3.338 403 H ASN 57 H ASN 57 11.291 3.774 -3.701 404 HA ASN 57 HA ASN 57 10.586 2.702 -6.339 405 HB2 ASN 57 HB3 ASN 57 9.056 4.651 -5.139 406 HB3 ASN 57 HB2 ASN 57 10.146 5.587 -6.134 407 HD21 ASN 57 HD21 ASN 57 8.205 6.177 -7.292 408 HD22 ASN 57 HD22 ASN 57 7.597 5.114 -8.521 409 HA PRO 58 HA PRO 58 14.808 4.019 -6.907 410 HB2 PRO 58 HB3 PRO 58 15.027 3.107 -9.458 411 HB3 PRO 58 HB2 PRO 58 15.110 2.050 -8.052 412 HG2 PRO 58 HG3 PRO 58 12.803 2.594 -9.874 413 HG3 PRO 58 HG2 PRO 58 13.359 1.047 -9.205 414 HD2 PRO 58 HD3 PRO 58 11.262 2.409 -8.167 415 HD3 PRO 58 HD2 PRO 58 12.329 1.423 -7.171 416 H VAL 59 H VAL 59 12.184 4.669 -9.191 417 HA VAL 59 HA VAL 59 13.585 6.747 -10.576 418 HB VAL 59 HB VAL 59 11.414 7.263 -11.609 419 HG11 VAL 59 HG11 VAL 59 11.885 5.611 -13.012 420 HG12 VAL 59 HG12 VAL 59 12.834 4.810 -11.753 421 HG13 VAL 59 HG13 VAL 59 11.112 4.452 -11.928 422 HG21 VAL 59 HG21 VAL 59 10.384 5.321 -9.550 423 HG22 VAL 59 HG22 VAL 59 9.863 6.984 -9.851 424 HG23 VAL 59 HG23 VAL 59 9.486 5.718 -11.020 425 H SER 60 H SER 60 11.381 6.602 -7.849 426 HA SER 60 HA SER 60 11.017 9.460 -7.721 427 HB2 SER 60 HB3 SER 60 9.343 7.713 -6.924 428 HB3 SER 60 HB2 SER 60 10.403 7.476 -5.531 429 HG SER 60 HG SER 60 8.616 9.455 -6.017 430 H GLN 61 H GLN 61 13.172 7.097 -6.349 431 HA GLN 61 HA GLN 61 15.025 7.279 -5.039 432 HB2 GLN 61 HB3 GLN 61 14.872 10.225 -5.708 433 HB3 GLN 61 HB2 GLN 61 16.281 9.366 -5.101 434 HG2 GLN 61 HG3 GLN 61 14.967 8.607 -7.689 435 HG3 GLN 61 HG2 GLN 61 16.180 9.884 -7.594 436 HE21 GLN 61 HE21 GLN 61 16.956 8.065 -9.193 437 HE22 GLN 61 HE22 GLN 61 18.076 6.940 -8.491 438 H CYS 62 H CYS 62 12.224 7.868 -4.005 439 HA CYS 62 HA CYS 62 12.703 9.622 -1.749 440 HB2 CYS 62 HB3 CYS 62 10.345 8.047 -2.745 441 HB3 CYS 62 HB2 CYS 62 10.339 8.721 -1.117 442 HG CYS 62 HG CYS 62 9.024 10.701 -2.215 443 H MET 63 H MET 63 12.192 8.881 0.481 444 HA MET 63 HA MET 63 12.876 6.057 0.939 445 HB2 MET 63 HB3 MET 63 14.447 6.672 2.708 446 HB3 MET 63 HB2 MET 63 14.951 7.349 1.163 447 HG2 MET 63 HG3 MET 63 13.277 9.051 2.922 448 HG3 MET 63 HG2 MET 63 14.947 8.756 3.409 449 HE1 MET 63 HE1 MET 63 16.886 11.227 1.568 450 HE2 MET 63 HE2 MET 63 16.526 10.339 3.051 451 HE3 MET 63 HE3 MET 63 17.125 9.478 1.628 452 H ARG 64 H ARG 64 10.390 7.656 1.097 453 HA ARG 64 HA ARG 64 9.847 7.737 3.964 454 HB2 ARG 64 HB3 ARG 64 7.733 8.762 3.358 455 HB3 ARG 64 HB2 ARG 64 9.052 9.582 2.533 456 HG2 ARG 64 HG3 ARG 64 8.352 8.947 0.486 457 HG3 ARG 64 HG2 ARG 64 7.771 7.379 1.050 458 HD2 ARG 64 HD3 ARG 64 5.703 8.202 0.923 459 HD3 ARG 64 HD2 ARG 64 6.109 9.239 2.288 460 HE ARG 64 HE ARG 64 5.856 10.016 -0.479 461 HH11 ARG 64 HH11 ARG 64 7.170 10.829 2.646 462 HH12 ARG 64 HH12 ARG 64 7.288 12.523 2.302 463 HH21 ARG 64 HH21 ARG 64 6.008 12.243 -0.942 464 HH22 ARG 64 HH22 ARG 64 6.626 13.327 0.262 465 H GLY 65 H GLY 65 7.361 6.993 4.342 466 HA2 GLY 65 HA3 GLY 65 6.953 4.368 3.088 467 HA3 GLY 65 HA2 GLY 65 7.154 4.426 4.835 468 H VAL 66 H VAL 66 4.859 3.465 3.407 469 HA VAL 66 HA VAL 66 2.761 5.311 3.236 470 HB VAL 66 HB VAL 66 2.478 2.422 4.079 471 HG11 VAL 66 HG11 VAL 66 0.594 4.108 2.449 472 HG12 VAL 66 HG12 VAL 66 0.286 2.538 3.200 473 HG13 VAL 66 HG13 VAL 66 0.487 3.977 4.204 474 HG21 VAL 66 HG21 VAL 66 3.558 3.506 1.659 475 HG22 VAL 66 HG22 VAL 66 3.330 1.818 2.114 476 HG23 VAL 66 HG23 VAL 66 2.031 2.699 1.312 477 H ARG 67 H ARG 67 1.389 6.208 4.675 478 HA ARG 67 HA ARG 67 2.081 6.021 7.482 479 HB2 ARG 67 HB3 ARG 67 1.624 8.217 6.701 480 HB3 ARG 67 HB2 ARG 67 0.128 7.710 5.925 481 HG2 ARG 67 HG3 ARG 67 -0.362 8.964 7.925 482 HG3 ARG 67 HG2 ARG 67 -0.856 7.283 8.139 483 HD2 ARG 67 HD3 ARG 67 1.477 6.974 9.206 484 HD3 ARG 67 HD2 ARG 67 1.483 8.734 9.331 485 HE ARG 67 HE ARG 67 -0.093 6.876 10.886 486 HH11 ARG 67 HH11 ARG 67 0.235 10.162 9.765 487 HH12 ARG 67 HH12 ARG 67 -0.712 10.834 11.052 488 HH21 ARG 67 HH21 ARG 67 -1.338 7.751 12.583 489 HH22 ARG 67 HH22 ARG 67 -1.604 9.461 12.655 490 H LEU 68 H LEU 68 0.889 5.122 9.095 491 HA LEU 68 HA LEU 68 -1.555 3.678 8.285 492 HB2 LEU 68 HB3 LEU 68 0.336 2.183 8.761 493 HB3 LEU 68 HB2 LEU 68 0.478 2.890 10.371 494 HG LEU 68 HG LEU 68 -0.676 0.607 10.123 495 HD11 LEU 68 HD11 LEU 68 -0.772 2.458 12.033 496 HD12 LEU 68 HD12 LEU 68 -1.721 0.973 12.108 497 HD13 LEU 68 HD13 LEU 68 -2.475 2.474 11.567 498 HD21 LEU 68 HD21 LEU 68 -2.949 2.405 9.268 499 HD22 LEU 68 HD22 LEU 68 -3.053 0.680 9.618 500 HD23 LEU 68 HD23 LEU 68 -2.115 1.245 8.235 501 H VAL 69 H VAL 69 -3.344 4.383 9.223 502 HA VAL 69 HA VAL 69 -3.270 5.260 12.014 503 HB VAL 69 HB VAL 69 -2.983 7.344 10.831 504 HG11 VAL 69 HG11 VAL 69 -5.535 6.777 9.334 505 HG12 VAL 69 HG12 VAL 69 -4.417 8.122 9.102 506 HG13 VAL 69 HG13 VAL 69 -3.931 6.482 8.663 507 HG21 VAL 69 HG21 VAL 69 -4.881 6.878 12.697 508 HG22 VAL 69 HG22 VAL 69 -4.495 8.480 12.064 509 HG23 VAL 69 HG23 VAL 69 -5.864 7.580 11.407 510 H GLU 70 H GLU 70 -4.847 4.266 13.069 511 HA GLU 70 HA GLU 70 -6.785 3.160 13.533 512 HB2 GLU 70 HB3 GLU 70 -7.928 4.826 11.280 513 HB3 GLU 70 HB2 GLU 70 -8.837 4.024 12.554 514 HG2 GLU 70 HG3 GLU 70 -7.065 6.428 12.740 515 HG3 GLU 70 HG2 GLU 70 -8.756 6.257 13.207 516 H GLY 71 H GLY 71 -4.928 2.217 11.346 517 HA2 GLY 71 HA3 GLY 71 -4.956 0.090 10.327 518 HA3 GLY 71 HA2 GLY 71 -6.714 0.115 10.364 519 H ILE 72 H ILE 72 -6.673 2.897 9.217 520 HA ILE 72 HA ILE 72 -6.680 2.064 6.446 521 HB ILE 72 HB ILE 72 -7.215 4.819 7.559 522 HG12 ILE 72 HG13 ILE 72 -9.610 3.495 6.800 523 HG13 ILE 72 HG12 ILE 72 -8.726 2.396 7.842 524 HG21 ILE 72 HG21 ILE 72 -7.826 5.451 5.493 525 HG22 ILE 72 HG22 ILE 72 -6.817 4.102 4.977 526 HG23 ILE 72 HG23 ILE 72 -8.563 3.891 5.117 527 HD11 ILE 72 HD11 ILE 72 -10.410 4.232 8.770 528 HD12 ILE 72 HD12 ILE 72 -8.985 3.700 9.669 529 HD13 ILE 72 HD13 ILE 72 -8.936 5.203 8.745 530 H LEU 73 H LEU 73 -4.894 2.071 5.264 531 HA LEU 73 HA LEU 73 -2.562 3.556 6.007 532 HB2 LEU 73 HB3 LEU 73 -3.298 1.814 3.682 533 HB3 LEU 73 HB2 LEU 73 -1.807 2.727 3.672 534 HG LEU 73 HG LEU 73 -1.360 0.465 4.362 535 HD11 LEU 73 HD11 LEU 73 -0.094 2.304 5.429 536 HD12 LEU 73 HD12 LEU 73 -0.224 0.870 6.449 537 HD13 LEU 73 HD13 LEU 73 -1.238 2.277 6.768 538 HD21 LEU 73 HD21 LEU 73 -3.635 -0.036 5.190 539 HD22 LEU 73 HD22 LEU 73 -3.300 0.932 6.625 540 HD23 LEU 73 HD23 LEU 73 -2.368 -0.533 6.314 541 H HIS 74 H HIS 74 -2.156 5.610 5.580 542 HA HIS 74 HA HIS 74 -3.754 7.006 3.571 543 HB2 HIS 74 HB3 HIS 74 -3.610 8.135 5.674 544 HB3 HIS 74 HB2 HIS 74 -1.867 7.961 5.716 545 HD1 HIS 74 HD1 HIS 74 -4.287 9.503 3.205 546 HD2 HIS 74 HD2 HIS 74 -0.736 10.353 5.197 547 HE1 HIS 74 HE1 HIS 74 -3.593 11.789 2.408 548 HE2 HIS 74 HE2 HIS 74 -1.419 12.306 3.630 549 H ALA 75 H ALA 75 -2.961 7.936 1.740 550 HA ALA 75 HA ALA 75 -0.309 7.053 0.894 551 HB1 ALA 75 HB1 ALA 75 -2.817 7.757 -0.439 552 HB2 ALA 75 HB2 ALA 75 -2.812 7.712 -0.431 553 HB3 ALA 75 HB3 ALA 75 -1.493 6.673 -0.956 554 HA PRO 76 HA PRO 76 1.721 10.929 1.223 555 HB2 PRO 76 HB3 PRO 76 3.229 10.986 -1.036 556 HB3 PRO 76 HB2 PRO 76 3.580 9.918 0.328 557 HG2 PRO 76 HG3 PRO 76 2.183 9.306 -2.234 558 HG3 PRO 76 HG2 PRO 76 3.389 8.353 -1.380 559 HD2 PRO 76 HD3 PRO 76 0.744 7.798 -1.237 560 HD3 PRO 76 HD2 PRO 76 1.851 7.506 0.114 561 H ASP 77 H ASP 77 2.453 12.839 -0.413 562 HA ASP 77 HA ASP 77 -0.040 14.004 -1.278 563 HB2 ASP 77 HB3 ASP 77 2.806 15.033 -1.383 564 HB3 ASP 77 HB2 ASP 77 1.389 15.978 -1.844 565 H ALA 78 H ALA 78 1.978 11.858 -2.711 566 HA ALA 78 HA ALA 78 1.570 12.961 -5.413 567 HB1 ALA 78 HB1 ALA 78 3.908 12.237 -4.463 568 HB2 ALA 78 HB2 ALA 78 3.904 12.267 -4.500 569 HB3 ALA 78 HB3 ALA 78 3.445 11.835 -6.143 570 H GLY 79 H GLY 79 0.870 10.272 -3.296 571 HA2 GLY 79 HA3 GLY 79 -1.292 9.170 -3.818 572 HA3 GLY 79 HA2 GLY 79 -0.719 9.058 -5.466 573 H TRP 80 H TRP 80 -1.259 6.755 -5.137 574 HA TRP 80 HA TRP 80 0.537 5.252 -3.417 575 HB2 TRP 80 HB3 TRP 80 -1.649 4.384 -5.322 576 HB3 TRP 80 HB2 TRP 80 -0.686 3.272 -4.371 577 HD1 TRP 80 HD1 TRP 80 -3.817 5.199 -4.228 578 HE1 TRP 80 HE1 TRP 80 -4.791 5.203 -1.839 579 HE3 TRP 80 HE3 TRP 80 0.254 3.418 -1.704 580 HZ2 TRP 80 HZ2 TRP 80 -3.933 4.527 0.763 581 HZ3 TRP 80 HZ3 TRP 80 0.095 3.125 0.730 582 HH2 TRP 80 HH2 TRP 80 -1.955 3.670 1.939 583 H GLY 81 H GLY 81 -0.239 5.174 -6.910 584 HA2 GLY 81 HA3 GLY 81 1.254 5.052 -8.698 585 HA3 GLY 81 HA2 GLY 81 2.584 4.947 -7.551 586 H ASN 82 H ASN 82 3.389 3.300 -9.044 587 HA ASN 82 HA ASN 82 2.162 0.677 -8.479 588 HB2 ASN 82 HB3 ASN 82 3.294 0.069 -10.773 589 HB3 ASN 82 HB2 ASN 82 1.715 0.850 -10.741 590 HD21 ASN 82 HD21 ASN 82 1.516 2.975 -11.393 591 HD22 ASN 82 HD22 ASN 82 2.776 3.809 -12.245 592 H LEU 83 H LEU 83 4.173 1.940 -6.926 593 HA LEU 83 HA LEU 83 6.690 0.670 -7.669 594 HB2 LEU 83 HB3 LEU 83 7.704 1.994 -6.089 595 HB3 LEU 83 HB2 LEU 83 6.352 3.009 -6.595 596 HG LEU 83 HG LEU 83 6.576 1.400 -4.051 597 HD11 LEU 83 HD11 LEU 83 7.540 3.257 -3.305 598 HD12 LEU 83 HD12 LEU 83 5.975 4.049 -3.498 599 HD13 LEU 83 HD13 LEU 83 7.168 4.134 -4.790 600 HD21 LEU 83 HD21 LEU 83 4.272 3.084 -5.028 601 HD22 LEU 83 HD22 LEU 83 4.386 2.261 -3.468 602 HD23 LEU 83 HD23 LEU 83 4.290 1.322 -4.957 603 H VAL 84 H VAL 84 7.831 -0.113 -5.390 604 HA VAL 84 HA VAL 84 6.136 -2.372 -4.551 605 HB VAL 84 HB VAL 84 9.140 -2.071 -4.346 606 HG11 VAL 84 HG11 VAL 84 9.153 -4.422 -3.752 607 HG12 VAL 84 HG12 VAL 84 8.145 -3.522 -2.618 608 HG13 VAL 84 HG13 VAL 84 7.397 -4.491 -3.888 609 HG21 VAL 84 HG21 VAL 84 8.409 -4.182 -6.070 610 HG22 VAL 84 HG22 VAL 84 7.464 -2.774 -6.559 611 HG23 VAL 84 HG23 VAL 84 9.224 -2.672 -6.486 612 H TYR 85 H TYR 85 5.682 -2.764 -2.439 613 HA TYR 85 HA TYR 85 6.558 -0.710 -0.515 614 HB2 TYR 85 HB3 TYR 85 4.507 -0.835 0.516 615 HB3 TYR 85 HB2 TYR 85 4.034 -1.200 -1.117 616 HD1 TYR 85 HD1 TYR 85 4.501 -2.562 2.242 617 HD2 TYR 85 HD2 TYR 85 3.361 -3.454 -1.757 618 HE1 TYR 85 HE1 TYR 85 3.516 -4.684 3.002 619 HE2 TYR 85 HE2 TYR 85 2.375 -5.580 -1.008 620 HH TYR 85 HH TYR 85 2.518 -6.571 2.399 621 H VAL 86 H VAL 86 7.298 -1.294 1.518 622 HA VAL 86 HA VAL 86 8.267 -4.065 1.705 623 HB VAL 86 HB VAL 86 9.137 -1.588 3.199 624 HG11 VAL 86 HG11 VAL 86 9.529 -3.306 4.715 625 HG12 VAL 86 HG12 VAL 86 9.930 -4.466 3.445 626 HG13 VAL 86 HG13 VAL 86 11.062 -3.173 3.852 627 HG21 VAL 86 HG21 VAL 86 10.071 -2.966 0.757 628 HG22 VAL 86 HG22 VAL 86 10.159 -1.260 1.205 629 HG23 VAL 86 HG23 VAL 86 11.319 -2.409 1.876 630 H VAL 87 H VAL 87 7.438 -5.447 3.128 631 HA VAL 87 HA VAL 87 5.246 -4.700 4.795 632 HB VAL 87 HB VAL 87 6.793 -7.274 5.032 633 HG11 VAL 87 HG11 VAL 87 4.572 -8.179 5.599 634 HG12 VAL 87 HG12 VAL 87 5.085 -6.908 6.714 635 HG13 VAL 87 HG13 VAL 87 3.891 -6.557 5.459 636 HG21 VAL 87 HG21 VAL 87 6.429 -7.035 2.690 637 HG22 VAL 87 HG22 VAL 87 5.205 -8.153 3.297 638 HG23 VAL 87 HG23 VAL 87 4.771 -6.480 2.942 639 H ASN 88 H ASN 88 5.104 -4.606 7.037 640 HA ASN 88 HA ASN 88 7.569 -4.818 8.595 641 HB2 ASN 88 HB3 ASN 88 7.131 -2.399 7.711 642 HB3 ASN 88 HB2 ASN 88 5.879 -2.358 8.946 643 HD21 ASN 88 HD21 ASN 88 6.440 -2.328 11.097 644 HD22 ASN 88 HD22 ASN 88 8.068 -2.037 11.635 645 H TYR 89 H TYR 89 6.917 -6.373 9.961 646 HA TYR 89 HA TYR 89 4.225 -6.386 11.040 647 HB2 TYR 89 HB3 TYR 89 6.514 -8.201 11.809 648 HB3 TYR 89 HB2 TYR 89 4.788 -8.502 12.002 649 HD1 TYR 89 HD1 TYR 89 3.485 -8.215 9.601 650 HD2 TYR 89 HD2 TYR 89 7.527 -9.435 10.156 651 HE1 TYR 89 HE1 TYR 89 3.434 -9.352 7.423 652 HE2 TYR 89 HE2 TYR 89 7.488 -10.575 7.977 653 HH TYR 89 HH TYR 89 4.613 -11.165 6.261 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -35.731 22.141 2.691 2 H2 MET 1 H2 MET 1 -34.964 23.131 1.612 3 H3 MET 1 H3 MET 1 -34.791 21.491 1.493 4 HA MET 1 HA MET 1 -33.480 23.366 3.168 5 HB2 MET 1 HB3 MET 1 -33.159 21.678 4.973 6 HB3 MET 1 HB2 MET 1 -34.807 22.286 4.864 7 HG2 MET 1 HG3 MET 1 -35.420 20.252 3.589 8 HG3 MET 1 HG2 MET 1 -33.788 19.639 3.858 9 HE1 MET 1 HE1 MET 1 -36.570 18.431 4.390 10 HE2 MET 1 HE2 MET 1 -36.841 17.992 6.079 11 HE3 MET 1 HE3 MET 1 -37.439 19.535 5.461 12 H ALA 2 H ALA 2 -31.391 22.083 3.962 13 HA ALA 2 HA ALA 2 -30.434 19.970 2.332 14 HB1 ALA 2 HB1 ALA 2 -29.766 22.775 1.474 15 HB2 ALA 2 HB2 ALA 2 -29.807 22.765 1.459 16 HB3 ALA 2 HB3 ALA 2 -30.286 21.376 0.488 17 H GLY 3 H GLY 3 -29.378 19.020 3.968 18 HA2 GLY 3 HA3 GLY 3 -27.346 18.741 5.162 19 HA3 GLY 3 HA2 GLY 3 -27.120 20.486 5.143 20 H SER 4 H SER 4 -29.337 18.016 6.444 21 HA SER 4 HA SER 4 -30.394 19.641 8.492 22 HB2 SER 4 HB3 SER 4 -30.125 16.626 8.549 23 HB3 SER 4 HB2 SER 4 -31.302 17.611 9.423 24 HG SER 4 HG SER 4 -31.178 16.981 6.684 25 H HIS 5 H HIS 5 -27.914 17.079 8.666 26 HA HIS 5 HA HIS 5 -27.188 17.857 11.357 27 HB2 HIS 5 HB3 HIS 5 -26.263 15.741 9.437 28 HB3 HIS 5 HB2 HIS 5 -25.306 16.113 10.871 29 HD1 HIS 5 HD1 HIS 5 -26.724 15.912 13.210 30 HD2 HIS 5 HD2 HIS 5 -28.243 13.943 9.874 31 HE1 HIS 5 HE1 HIS 5 -28.341 14.203 14.110 32 HE2 HIS 5 HE2 HIS 5 -29.269 12.999 12.063 33 H HIS 6 H HIS 6 -25.233 17.493 8.391 34 HA HIS 6 HA HIS 6 -24.008 20.088 8.834 35 HB2 HIS 6 HB3 HIS 6 -21.686 19.059 8.732 36 HB3 HIS 6 HB2 HIS 6 -22.562 18.836 10.245 37 HD1 HIS 6 HD1 HIS 6 -21.178 16.729 10.820 38 HD2 HIS 6 HD2 HIS 6 -23.354 16.429 7.286 39 HE1 HIS 6 HE1 HIS 6 -21.132 14.288 10.198 40 HE2 HIS 6 HE2 HIS 6 -22.467 14.110 8.034 41 H HIS 7 H HIS 7 -22.146 20.341 7.111 42 HA HIS 7 HA HIS 7 -23.362 20.167 4.580 43 HB2 HIS 7 HB3 HIS 7 -21.297 21.034 3.693 44 HB3 HIS 7 HB2 HIS 7 -21.605 21.823 5.239 45 HD1 HIS 7 HD1 HIS 7 -19.216 19.571 3.500 46 HD2 HIS 7 HD2 HIS 7 -19.831 21.089 7.323 47 HE1 HIS 7 HE1 HIS 7 -17.092 19.096 4.767 48 HE2 HIS 7 HE2 HIS 7 -17.473 20.029 7.107 49 H HIS 8 H HIS 8 -23.259 18.715 2.956 50 HA HIS 8 HA HIS 8 -21.288 16.574 3.015 51 HB2 HIS 8 HB3 HIS 8 -23.439 15.947 4.373 52 HB3 HIS 8 HB2 HIS 8 -24.166 15.749 2.779 53 HD1 HIS 8 HD1 HIS 8 -20.849 14.617 4.300 54 HD2 HIS 8 HD2 HIS 8 -24.070 13.141 2.118 55 HE1 HIS 8 HE1 HIS 8 -20.325 12.190 3.876 56 HE2 HIS 8 HE2 HIS 8 -22.301 11.291 2.539 57 H HIS 9 H HIS 9 -20.502 16.523 1.027 58 HA HIS 9 HA HIS 9 -22.266 16.301 -1.251 59 HB2 HIS 9 HB3 HIS 9 -21.530 18.235 -2.443 60 HB3 HIS 9 HB2 HIS 9 -22.035 18.786 -0.847 61 HD1 HIS 9 HD1 HIS 9 -19.904 19.012 0.914 62 HD2 HIS 9 HD2 HIS 9 -19.093 19.155 -3.166 63 HE1 HIS 9 HE1 HIS 9 -17.634 20.087 0.710 64 HE2 HIS 9 HE2 HIS 9 -17.142 20.171 -1.789 65 H HIS 10 H HIS 10 -21.172 15.651 -3.178 66 HA HIS 10 HA HIS 10 -18.398 14.745 -2.728 67 HB2 HIS 10 HB3 HIS 10 -20.487 13.242 -4.316 68 HB3 HIS 10 HB2 HIS 10 -18.865 12.691 -3.896 69 HD1 HIS 10 HD1 HIS 10 -22.268 12.339 -2.871 70 HD2 HIS 10 HD2 HIS 10 -18.606 12.494 -0.900 71 HE1 HIS 10 HE1 HIS 10 -22.675 11.324 -0.601 72 HE2 HIS 10 HE2 HIS 10 -20.430 11.420 0.601 73 H GLY 11 H GLY 11 -17.454 13.997 -4.978 74 HA2 GLY 11 HA3 GLY 11 -18.109 14.864 -7.431 75 HA3 GLY 11 HA2 GLY 11 -17.603 16.366 -6.665 76 H SER 12 H SER 12 -16.322 13.051 -6.432 77 HA SER 12 HA SER 12 -13.880 13.885 -7.793 78 HB2 SER 12 HB3 SER 12 -13.967 12.977 -4.912 79 HB3 SER 12 HB2 SER 12 -12.498 12.911 -5.890 80 HG SER 12 HG SER 12 -12.355 15.043 -5.859 81 H MET 13 H MET 13 -12.357 12.000 -8.054 82 HA MET 13 HA MET 13 -13.928 9.527 -8.420 83 HB2 MET 13 HB3 MET 13 -13.071 10.754 -10.485 84 HB3 MET 13 HB2 MET 13 -11.454 10.285 -9.973 85 HG2 MET 13 HG3 MET 13 -12.076 8.671 -11.534 86 HG3 MET 13 HG2 MET 13 -12.316 7.894 -9.970 87 HE1 MET 13 HE1 MET 13 -13.909 6.382 -12.356 88 HE2 MET 13 HE2 MET 13 -15.087 7.425 -13.157 89 HE3 MET 13 HE3 MET 13 -13.374 7.854 -13.172 90 H SER 14 H SER 14 -13.401 7.954 -7.069 91 HA SER 14 HA SER 14 -11.241 7.994 -5.306 92 HB2 SER 14 HB3 SER 14 -12.642 5.502 -6.299 93 HB3 SER 14 HB2 SER 14 -11.820 5.721 -4.752 94 HG SER 14 HG SER 14 -14.079 5.933 -4.532 95 H GLU 15 H GLU 15 -9.202 7.167 -5.313 96 HA GLU 15 HA GLU 15 -8.152 6.391 -7.941 97 HB2 GLU 15 HB3 GLU 15 -6.849 7.351 -5.397 98 HB3 GLU 15 HB2 GLU 15 -5.915 6.695 -6.732 99 HG2 GLU 15 HG3 GLU 15 -6.397 8.468 -8.130 100 HG3 GLU 15 HG2 GLU 15 -7.838 8.925 -7.222 101 H TYR 16 H TYR 16 -6.059 4.881 -7.547 102 HA TYR 16 HA TYR 16 -6.937 2.595 -5.903 103 HB2 TYR 16 HB3 TYR 16 -6.188 1.069 -7.686 104 HB3 TYR 16 HB2 TYR 16 -7.489 2.116 -8.237 105 HD1 TYR 16 HD2 TYR 16 -7.020 3.959 -9.809 106 HD2 TYR 16 HD1 TYR 16 -3.991 1.197 -8.653 107 HE1 TYR 16 HE2 TYR 16 -5.642 4.678 -11.717 108 HE2 TYR 16 HE1 TYR 16 -2.610 1.912 -10.556 109 HH TYR 16 HH TYR 16 -2.773 4.527 -12.076 110 H ILE 17 H ILE 17 -5.258 1.184 -5.185 111 HA ILE 17 HA ILE 17 -2.634 2.529 -5.063 112 HB ILE 17 HB ILE 17 -3.554 2.326 -2.869 113 HG12 ILE 17 HG13 ILE 17 -1.546 0.113 -3.304 114 HG13 ILE 17 HG12 ILE 17 -1.155 1.798 -3.092 115 HG21 ILE 17 HG21 ILE 17 -5.076 0.769 -2.443 116 HG22 ILE 17 HG22 ILE 17 -4.638 -0.118 -3.899 117 HG23 ILE 17 HG23 ILE 17 -3.784 -0.430 -2.390 118 HD11 ILE 17 HD11 ILE 17 -0.762 0.745 -1.023 119 HD12 ILE 17 HD12 ILE 17 -2.257 1.665 -0.840 120 HD13 ILE 17 HD13 ILE 17 -2.319 -0.083 -1.070 121 H ARG 18 H ARG 18 -0.996 1.620 -6.099 122 HA ARG 18 HA ARG 18 -1.156 -1.267 -6.713 123 HB2 ARG 18 HB3 ARG 18 -0.597 1.052 -8.408 124 HB3 ARG 18 HB2 ARG 18 0.605 -0.214 -8.548 125 HG2 ARG 18 HG3 ARG 18 -1.114 -1.830 -9.109 126 HG3 ARG 18 HG2 ARG 18 -2.357 -0.591 -8.903 127 HD2 ARG 18 HD3 ARG 18 -2.088 -0.472 -11.163 128 HD3 ARG 18 HD2 ARG 18 -0.851 0.687 -10.667 129 HE ARG 18 HE ARG 18 0.209 -1.949 -10.858 130 HH11 ARG 18 HH11 ARG 18 -0.775 0.804 -12.760 131 HH12 ARG 18 HH12 ARG 18 0.291 0.439 -14.077 132 HH21 ARG 18 HH21 ARG 18 1.616 -2.436 -12.586 133 HH22 ARG 18 HH22 ARG 18 1.651 -1.404 -13.978 134 H VAL 19 H VAL 19 0.130 -2.236 -5.269 135 HA VAL 19 HA VAL 19 2.954 -1.511 -5.251 136 HB VAL 19 HB VAL 19 3.007 -1.725 -2.732 137 HG11 VAL 19 HG11 VAL 19 3.037 0.525 -2.563 138 HG12 VAL 19 HG12 VAL 19 2.829 0.448 -4.314 139 HG13 VAL 19 HG13 VAL 19 1.430 0.704 -3.273 140 HG21 VAL 19 HG21 VAL 19 0.762 -2.698 -2.477 141 HG22 VAL 19 HG22 VAL 19 0.964 -1.236 -1.508 142 HG23 VAL 19 HG23 VAL 19 0.053 -1.173 -3.018 143 H THR 20 H THR 20 4.336 -3.179 -4.505 144 HA THR 20 HA THR 20 3.029 -5.814 -4.215 145 HB THR 20 HB THR 20 3.870 -5.972 -6.383 146 HG1 THR 20 HG1 THR 20 5.727 -7.341 -6.161 147 HG21 THR 20 HG21 THR 20 6.324 -5.254 -6.830 148 HG22 THR 20 HG22 THR 20 6.133 -4.289 -5.368 149 HG23 THR 20 HG23 THR 20 5.072 -4.015 -6.749 150 H GLU 21 H GLU 21 4.132 -7.365 -2.955 151 HA GLU 21 HA GLU 21 5.561 -6.249 -0.742 152 HB2 GLU 21 HB3 GLU 21 3.976 -8.381 -0.958 153 HB3 GLU 21 HB2 GLU 21 5.503 -9.188 -1.200 154 HG2 GLU 21 HG3 GLU 21 6.011 -7.633 0.989 155 HG3 GLU 21 HG2 GLU 21 4.333 -8.080 1.226 156 H ASP 22 H ASP 22 6.442 -8.496 -3.357 157 HA ASP 22 HA ASP 22 9.274 -8.073 -2.672 158 HB2 ASP 22 HB3 ASP 22 7.964 -10.431 -3.037 159 HB3 ASP 22 HB2 ASP 22 8.592 -10.146 -4.661 160 H GLU 23 H GLU 23 10.776 -8.133 -4.611 161 HA GLU 23 HA GLU 23 9.913 -6.088 -6.457 162 HB2 GLU 23 HB3 GLU 23 12.225 -6.157 -7.278 163 HB3 GLU 23 HB2 GLU 23 12.166 -6.016 -5.526 164 HG2 GLU 23 HG3 GLU 23 12.316 -8.678 -5.733 165 HG3 GLU 23 HG2 GLU 23 13.143 -8.226 -7.225 166 H ASN 24 H ASN 24 10.667 -9.527 -6.575 167 HA ASN 24 HA ASN 24 10.567 -9.762 -9.411 168 HB2 ASN 24 HB3 ASN 24 10.002 -11.966 -7.421 169 HB3 ASN 24 HB2 ASN 24 10.634 -12.125 -9.060 170 HD21 ASN 24 HD21 ASN 24 11.446 -12.216 -5.895 171 HD22 ASN 24 HD22 ASN 24 13.137 -11.842 -6.015 172 H ASP 25 H ASP 25 8.166 -9.699 -6.908 173 HA ASP 25 HA ASP 25 6.079 -10.805 -8.597 174 HB2 ASP 25 HB3 ASP 25 5.853 -11.348 -6.301 175 HB3 ASP 25 HB2 ASP 25 6.124 -9.679 -5.799 176 H GLU 26 H GLU 26 4.706 -9.693 -9.837 177 HA GLU 26 HA GLU 26 5.149 -6.980 -10.442 178 HB2 GLU 26 HB3 GLU 26 2.862 -8.852 -11.047 179 HB3 GLU 26 HB2 GLU 26 2.885 -7.189 -11.619 180 HG2 GLU 26 HG3 GLU 26 5.201 -7.808 -12.593 181 HG3 GLU 26 HG2 GLU 26 4.652 -9.472 -12.386 182 HA PRO 27 HA PRO 27 2.818 -4.723 -7.489 183 HB2 PRO 27 HB3 PRO 27 1.861 -2.683 -8.989 184 HB3 PRO 27 HB2 PRO 27 3.552 -2.812 -8.534 185 HG2 PRO 27 HG3 PRO 27 2.233 -3.560 -11.116 186 HG3 PRO 27 HG2 PRO 27 3.774 -2.719 -10.849 187 HD2 PRO 27 HD3 PRO 27 3.637 -5.355 -11.457 188 HD3 PRO 27 HD2 PRO 27 4.912 -4.680 -10.420 189 H ILE 28 H ILE 28 0.976 -5.429 -6.624 190 HA ILE 28 HA ILE 28 -1.256 -6.220 -8.296 191 HB ILE 28 HB ILE 28 -0.790 -7.625 -6.409 192 HG12 ILE 28 HG13 ILE 28 -3.256 -6.746 -7.026 193 HG13 ILE 28 HG12 ILE 28 -2.957 -7.940 -5.763 194 HG21 ILE 28 HG21 ILE 28 0.373 -6.231 -4.916 195 HG22 ILE 28 HG22 ILE 28 -0.965 -5.083 -4.816 196 HG23 ILE 28 HG23 ILE 28 -1.111 -6.676 -4.069 197 HD11 ILE 28 HD11 ILE 28 -3.258 -6.385 -4.059 198 HD12 ILE 28 HD12 ILE 28 -3.050 -5.014 -5.147 199 HD13 ILE 28 HD13 ILE 28 -4.512 -5.992 -5.237 200 H GLU 29 H GLU 29 -3.255 -5.261 -8.404 201 HA GLU 29 HA GLU 29 -3.387 -2.511 -7.351 202 HB2 GLU 29 HB3 GLU 29 -5.207 -2.246 -9.111 203 HB3 GLU 29 HB2 GLU 29 -3.561 -2.444 -9.704 204 HG2 GLU 29 HG3 GLU 29 -3.946 -4.594 -10.469 205 HG3 GLU 29 HG2 GLU 29 -5.352 -4.821 -9.427 206 H ILE 30 H ILE 30 -4.730 -2.109 -5.733 207 HA ILE 30 HA ILE 30 -7.096 -3.845 -5.401 208 HB ILE 30 HB ILE 30 -6.631 -3.066 -2.851 209 HG12 ILE 30 HG13 ILE 30 -3.876 -3.771 -3.815 210 HG13 ILE 30 HG12 ILE 30 -4.401 -2.107 -3.792 211 HG21 ILE 30 HG21 ILE 30 -6.940 -5.273 -2.806 212 HG22 ILE 30 HG22 ILE 30 -6.286 -5.469 -4.432 213 HG23 ILE 30 HG23 ILE 30 -5.199 -5.433 -3.042 214 HD11 ILE 30 HD11 ILE 30 -4.004 -3.970 -1.494 215 HD12 ILE 30 HD12 ILE 30 -3.289 -2.380 -1.776 216 HD13 ILE 30 HD13 ILE 30 -4.996 -2.517 -1.342 217 HA PRO 31 HA PRO 31 -9.549 -0.221 -5.092 218 HB2 PRO 31 HB3 PRO 31 -11.372 -0.922 -3.201 219 HB3 PRO 31 HB2 PRO 31 -11.371 -1.599 -4.837 220 HG2 PRO 31 HG3 PRO 31 -10.295 -2.772 -2.301 221 HG3 PRO 31 HG2 PRO 31 -11.232 -3.556 -3.589 222 HD2 PRO 31 HD3 PRO 31 -8.544 -3.809 -3.380 223 HD3 PRO 31 HD2 PRO 31 -9.387 -3.816 -4.945 224 H SER 32 H SER 32 -9.722 1.686 -3.980 225 HA SER 32 HA SER 32 -8.793 1.748 -1.189 226 HB2 SER 32 HB3 SER 32 -7.085 3.207 -1.572 227 HB3 SER 32 HB2 SER 32 -7.107 2.471 -3.175 228 HG SER 32 HG SER 32 -7.146 4.760 -3.275 229 H GLU 33 H GLU 33 -9.160 4.028 -0.254 230 HA GLU 33 HA GLU 33 -11.948 4.621 -0.574 231 HB2 GLU 33 HB3 GLU 33 -9.757 5.456 1.226 232 HB3 GLU 33 HB2 GLU 33 -11.026 6.647 0.981 233 HG2 GLU 33 HG3 GLU 33 -11.695 3.823 1.703 234 HG3 GLU 33 HG2 GLU 33 -11.227 4.992 2.939 235 H ASP 34 H ASP 34 -12.698 6.930 -0.800 236 HA ASP 34 HA ASP 34 -11.750 7.956 -3.300 237 HB2 ASP 34 HB3 ASP 34 -14.088 8.131 -2.889 238 HB3 ASP 34 HB2 ASP 34 -13.827 8.913 -1.330 239 H ASP 35 H ASP 35 -11.183 8.696 0.044 240 HA ASP 35 HA ASP 35 -10.158 11.329 -0.346 241 HB2 ASP 35 HB3 ASP 35 -10.944 10.003 1.839 242 HB3 ASP 35 HB2 ASP 35 -9.212 9.677 1.945 243 H GLY 36 H GLY 36 -8.895 8.190 -0.874 244 HA2 GLY 36 HA3 GLY 36 -6.893 8.106 -2.286 245 HA3 GLY 36 HA2 GLY 36 -6.211 9.365 -1.283 246 H THR 37 H THR 37 -7.711 7.601 0.923 247 HA THR 37 HA THR 37 -5.276 6.191 1.654 248 HB THR 37 HB THR 37 -6.264 5.826 3.788 249 HG1 THR 37 HG1 THR 37 -8.597 6.605 3.973 250 HG21 THR 37 HG21 THR 37 -6.039 7.966 4.377 251 HG22 THR 37 HG22 THR 37 -7.565 8.391 3.592 252 HG23 THR 37 HG23 THR 37 -6.065 8.388 2.663 253 H VAL 38 H VAL 38 -5.890 3.975 2.891 254 HA VAL 38 HA VAL 38 -7.576 2.360 1.097 255 HB VAL 38 HB VAL 38 -4.733 1.743 1.897 256 HG11 VAL 38 HG11 VAL 38 -5.303 -0.387 0.465 257 HG12 VAL 38 HG12 VAL 38 -5.647 -0.338 2.198 258 HG13 VAL 38 HG13 VAL 38 -6.944 -0.060 1.028 259 HG21 VAL 38 HG21 VAL 38 -5.322 3.156 -0.165 260 HG22 VAL 38 HG22 VAL 38 -4.225 1.795 -0.378 261 HG23 VAL 38 HG23 VAL 38 -5.919 1.646 -0.856 262 H LEU 39 H LEU 39 -8.937 1.079 2.158 263 HA LEU 39 HA LEU 39 -9.094 1.068 4.973 264 HB2 LEU 39 HB3 LEU 39 -10.479 -0.264 2.735 265 HB3 LEU 39 HB2 LEU 39 -10.557 -1.105 4.285 266 HG LEU 39 HG LEU 39 -12.510 0.350 3.843 267 HD11 LEU 39 HD11 LEU 39 -11.737 1.821 6.087 268 HD12 LEU 39 HD12 LEU 39 -10.845 0.302 6.192 269 HD13 LEU 39 HD13 LEU 39 -12.605 0.284 6.060 270 HD21 LEU 39 HD21 LEU 39 -12.362 2.673 3.691 271 HD22 LEU 39 HD22 LEU 39 -11.049 2.098 2.660 272 HD23 LEU 39 HD23 LEU 39 -10.698 2.702 4.283 273 H LEU 40 H LEU 40 -8.578 -0.457 6.511 274 HA LEU 40 HA LEU 40 -6.248 -1.977 6.103 275 HB2 LEU 40 HB3 LEU 40 -7.120 -1.088 8.282 276 HB3 LEU 40 HB2 LEU 40 -8.300 -2.393 8.272 277 HG LEU 40 HG LEU 40 -6.226 -2.710 9.709 278 HD11 LEU 40 HD11 LEU 40 -6.091 -5.045 8.049 279 HD12 LEU 40 HD12 LEU 40 -7.763 -4.505 8.199 280 HD13 LEU 40 HD13 LEU 40 -6.814 -4.848 9.645 281 HD21 LEU 40 HD21 LEU 40 -4.646 -1.843 7.992 282 HD22 LEU 40 HD22 LEU 40 -4.948 -3.298 7.041 283 HD23 LEU 40 HD23 LEU 40 -4.203 -3.425 8.636 284 H SER 41 H SER 41 -9.631 -2.775 5.795 285 HA SER 41 HA SER 41 -9.425 -5.584 5.867 286 HB2 SER 41 HB3 SER 41 -11.558 -4.255 5.982 287 HB3 SER 41 HB2 SER 41 -11.410 -3.972 4.245 288 HG SER 41 HG SER 41 -12.741 -5.774 4.702 289 H THR 42 H THR 42 -9.004 -3.248 3.265 290 HA THR 42 HA THR 42 -8.774 -5.235 1.204 291 HB THR 42 HB THR 42 -7.826 -2.367 1.079 292 HG1 THR 42 HG1 THR 42 -10.406 -3.448 0.498 293 HG21 THR 42 HG21 THR 42 -8.326 -2.649 -1.337 294 HG22 THR 42 HG22 THR 42 -8.669 -4.354 -1.037 295 HG23 THR 42 HG23 THR 42 -7.044 -3.718 -0.767 296 H VAL 43 H VAL 43 -6.633 -3.798 3.497 297 HA VAL 43 HA VAL 43 -4.193 -4.293 2.070 298 HB VAL 43 HB VAL 43 -4.806 -3.662 4.954 299 HG11 VAL 43 HG11 VAL 43 -2.243 -4.567 3.723 300 HG12 VAL 43 HG12 VAL 43 -2.201 -3.343 4.994 301 HG13 VAL 43 HG13 VAL 43 -2.919 -4.923 5.316 302 HG21 VAL 43 HG21 VAL 43 -3.078 -1.774 3.951 303 HG22 VAL 43 HG22 VAL 43 -4.085 -2.162 2.555 304 HG23 VAL 43 HG23 VAL 43 -4.834 -1.612 4.056 305 H THR 44 H THR 44 -6.107 -6.062 4.443 306 HA THR 44 HA THR 44 -4.144 -8.153 4.748 307 HB THR 44 HB THR 44 -5.815 -9.290 6.109 308 HG1 THR 44 HG1 THR 44 -7.772 -8.971 5.255 309 HG21 THR 44 HG21 THR 44 -5.089 -7.906 7.703 310 HG22 THR 44 HG22 THR 44 -6.488 -6.886 7.361 311 HG23 THR 44 HG23 THR 44 -4.949 -6.569 6.558 312 H ALA 45 H ALA 45 -6.529 -7.403 2.456 313 HA ALA 45 HA ALA 45 -7.416 -9.974 1.703 314 HB1 ALA 45 HB1 ALA 45 -7.208 -7.378 0.176 315 HB2 ALA 45 HB2 ALA 45 -7.227 -7.369 0.216 316 HB3 ALA 45 HB3 ALA 45 -8.654 -8.137 0.903 317 H GLN 46 H GLN 46 -4.715 -7.977 0.528 318 HA GLN 46 HA GLN 46 -3.671 -10.361 -0.864 319 HB2 GLN 46 HB3 GLN 46 -3.090 -7.447 -1.438 320 HB3 GLN 46 HB2 GLN 46 -2.460 -8.820 -2.326 321 HG2 GLN 46 HG3 GLN 46 -5.221 -7.696 -2.294 322 HG3 GLN 46 HG2 GLN 46 -4.189 -8.096 -3.666 323 HE21 GLN 46 HE21 GLN 46 -3.588 -10.523 -3.701 324 HE22 GLN 46 HE22 GLN 46 -4.920 -11.612 -3.482 325 H PHE 47 H PHE 47 -3.118 -8.047 1.608 326 HA PHE 47 HA PHE 47 -0.404 -9.146 2.007 327 HB2 PHE 47 HB3 PHE 47 -1.141 -6.387 2.925 328 HB3 PHE 47 HB2 PHE 47 0.437 -7.057 2.623 329 HD1 PHE 47 HD1 PHE 47 0.274 -8.140 -0.042 330 HD2 PHE 47 HD2 PHE 47 -1.444 -4.575 1.534 331 HE1 PHE 47 HE1 PHE 47 0.263 -7.158 -2.291 332 HE2 PHE 47 HE2 PHE 47 -1.460 -3.585 -0.718 333 HZ PHE 47 HZ PHE 47 -0.615 -4.872 -2.636 334 HA PRO 48 HA PRO 48 -3.057 -10.066 5.700 335 HB2 PRO 48 HB3 PRO 48 -2.182 -12.622 5.973 336 HB3 PRO 48 HB2 PRO 48 -3.524 -12.173 4.916 337 HG2 PRO 48 HG3 PRO 48 -0.657 -12.696 4.222 338 HG3 PRO 48 HG2 PRO 48 -2.125 -13.216 3.379 339 HD2 PRO 48 HD3 PRO 48 -0.646 -11.108 2.551 340 HD3 PRO 48 HD2 PRO 48 -2.407 -11.177 2.337 341 H GLY 49 H GLY 49 -2.334 -9.559 7.672 342 HA2 GLY 49 HA3 GLY 49 -0.932 -9.572 9.526 343 HA3 GLY 49 HA2 GLY 49 0.231 -10.515 8.622 344 H ALA 50 H ALA 50 -0.694 -7.885 6.794 345 HA ALA 50 HA ALA 50 1.841 -6.560 7.315 346 HB1 ALA 50 HB1 ALA 50 1.088 -6.987 4.999 347 HB2 ALA 50 HB2 ALA 50 1.124 -6.965 5.007 348 HB3 ALA 50 HB3 ALA 50 1.343 -5.251 5.332 349 H CYS 51 H CYS 51 1.985 -5.079 8.852 350 HA CYS 51 HA CYS 51 -0.398 -3.520 9.573 351 HB2 CYS 51 HB3 CYS 51 2.087 -4.335 10.984 352 HB3 CYS 51 HB2 CYS 51 1.397 -2.783 11.426 353 HG CYS 51 HG CYS 51 0.685 -5.146 13.076 354 H GLY 52 H GLY 52 3.082 -3.004 8.953 355 HA2 GLY 52 HA3 GLY 52 2.398 -0.261 8.101 356 HA3 GLY 52 HA2 GLY 52 3.882 -0.657 8.912 357 H LEU 53 H LEU 53 2.894 0.344 6.094 358 HA LEU 53 HA LEU 53 4.680 -1.426 4.547 359 HB2 LEU 53 HB3 LEU 53 2.499 0.324 3.430 360 HB3 LEU 53 HB2 LEU 53 3.423 -0.911 2.584 361 HG LEU 53 HG LEU 53 1.388 -1.949 2.901 362 HD11 LEU 53 HD11 LEU 53 2.413 -2.862 5.521 363 HD12 LEU 53 HD12 LEU 53 3.503 -3.018 4.142 364 HD13 LEU 53 HD13 LEU 53 1.919 -3.788 4.103 365 HD21 LEU 53 HD21 LEU 53 -0.105 -1.619 4.645 366 HD22 LEU 53 HD22 LEU 53 0.657 -0.035 4.486 367 HD23 LEU 53 HD23 LEU 53 1.159 -1.131 5.774 368 H ARG 54 H ARG 54 6.317 -0.548 3.378 369 HA ARG 54 HA ARG 54 6.745 2.349 3.725 370 HB2 ARG 54 HB3 ARG 54 8.393 0.374 4.511 371 HB3 ARG 54 HB2 ARG 54 8.986 0.596 2.876 372 HG2 ARG 54 HG3 ARG 54 9.614 2.821 3.286 373 HG3 ARG 54 HG2 ARG 54 8.661 2.902 4.772 374 HD2 ARG 54 HD3 ARG 54 10.932 0.963 4.483 375 HD3 ARG 54 HD2 ARG 54 11.219 2.639 4.954 376 HE ARG 54 HE ARG 54 9.200 1.430 6.564 377 HH11 ARG 54 HH11 ARG 54 12.649 1.617 6.083 378 HH12 ARG 54 HH12 ARG 54 13.030 1.240 7.733 379 HH21 ARG 54 HH21 ARG 54 9.693 0.933 8.735 380 HH22 ARG 54 HH22 ARG 54 11.348 0.850 9.239 381 H TYR 55 H TYR 55 8.182 3.301 1.938 382 HA TYR 55 HA TYR 55 7.054 2.451 -0.650 383 HB2 TYR 55 HB3 TYR 55 7.809 5.105 0.486 384 HB3 TYR 55 HB2 TYR 55 7.920 4.879 -1.246 385 HD1 TYR 55 HD1 TYR 55 5.644 3.314 -1.973 386 HD2 TYR 55 HD2 TYR 55 5.929 6.344 0.997 387 HE1 TYR 55 HE1 TYR 55 3.230 3.743 -2.188 388 HE2 TYR 55 HE2 TYR 55 3.519 6.780 0.793 389 HH TYR 55 HH TYR 55 1.476 5.527 0.046 390 H ARG 56 H ARG 56 8.357 1.653 -2.156 391 HA ARG 56 HA ARG 56 11.248 2.205 -1.957 392 HB2 ARG 56 HB3 ARG 56 10.584 -0.108 -1.162 393 HB3 ARG 56 HB2 ARG 56 10.082 -0.446 -2.815 394 HG2 ARG 56 HG3 ARG 56 12.820 0.606 -2.448 395 HG3 ARG 56 HG2 ARG 56 12.507 -1.037 -1.878 396 HD2 ARG 56 HD3 ARG 56 12.361 -1.850 -3.959 397 HD3 ARG 56 HD2 ARG 56 11.382 -0.493 -4.516 398 HE ARG 56 HE ARG 56 13.285 0.537 -5.290 399 HH11 ARG 56 HH11 ARG 56 14.154 -2.133 -3.224 400 HH12 ARG 56 HH12 ARG 56 15.840 -2.066 -3.627 401 HH21 ARG 56 HH21 ARG 56 15.499 0.633 -5.827 402 HH22 ARG 56 HH22 ARG 56 16.604 -0.492 -5.107 403 H ASN 57 H ASN 57 11.542 3.572 -3.621 404 HA ASN 57 HA ASN 57 10.880 2.574 -6.300 405 HB2 ASN 57 HB3 ASN 57 9.214 4.344 -5.350 406 HB3 ASN 57 HB2 ASN 57 10.495 5.485 -5.692 407 HD21 ASN 57 HD21 ASN 57 9.405 2.596 -7.424 408 HD22 ASN 57 HD22 ASN 57 9.048 3.412 -8.913 409 HA PRO 58 HA PRO 58 15.164 3.680 -6.760 410 HB2 PRO 58 HB3 PRO 58 15.370 2.925 -9.362 411 HB3 PRO 58 HB2 PRO 58 15.359 1.776 -8.029 412 HG2 PRO 58 HG3 PRO 58 13.125 2.588 -9.842 413 HG3 PRO 58 HG2 PRO 58 13.567 0.967 -9.270 414 HD2 PRO 58 HD3 PRO 58 11.542 2.395 -8.179 415 HD3 PRO 58 HD2 PRO 58 12.530 1.273 -7.231 416 H VAL 59 H VAL 59 12.884 4.451 -9.400 417 HA VAL 59 HA VAL 59 14.369 6.580 -10.476 418 HB VAL 59 HB VAL 59 12.217 7.306 -11.510 419 HG11 VAL 59 HG11 VAL 59 12.102 4.438 -12.018 420 HG12 VAL 59 HG12 VAL 59 12.523 5.769 -13.102 421 HG13 VAL 59 HG13 VAL 59 13.747 5.077 -12.031 422 HG21 VAL 59 HG21 VAL 59 10.245 5.832 -11.185 423 HG22 VAL 59 HG22 VAL 59 11.098 5.040 -9.855 424 HG23 VAL 59 HG23 VAL 59 10.676 6.754 -9.744 425 H SER 60 H SER 60 11.947 6.464 -7.920 426 HA SER 60 HA SER 60 11.604 9.265 -7.652 427 HB2 SER 60 HB3 SER 60 10.119 7.390 -6.727 428 HB3 SER 60 HB2 SER 60 11.279 7.285 -5.402 429 HG SER 60 HG SER 60 10.836 9.447 -4.908 430 H GLN 61 H GLN 61 13.992 7.027 -6.474 431 HA GLN 61 HA GLN 61 15.914 7.300 -5.283 432 HB2 GLN 61 HB3 GLN 61 15.498 10.123 -6.262 433 HB3 GLN 61 HB2 GLN 61 16.912 9.646 -5.333 434 HG2 GLN 61 HG3 GLN 61 16.079 8.435 -7.962 435 HG3 GLN 61 HG2 GLN 61 17.314 9.678 -7.756 436 HE21 GLN 61 HE21 GLN 61 19.335 9.080 -7.298 437 HE22 GLN 61 HE22 GLN 61 19.835 7.456 -6.937 438 H CYS 62 H CYS 62 13.225 7.688 -4.010 439 HA CYS 62 HA CYS 62 14.113 9.213 -1.641 440 HB2 CYS 62 HB3 CYS 62 11.361 8.809 -2.809 441 HB3 CYS 62 HB2 CYS 62 11.605 9.365 -1.156 442 HG CYS 62 HG CYS 62 12.054 11.842 -1.696 443 H MET 63 H MET 63 12.578 8.428 0.318 444 HA MET 63 HA MET 63 12.392 5.511 0.347 445 HB2 MET 63 HB3 MET 63 14.721 6.318 1.122 446 HB3 MET 63 HB2 MET 63 13.888 6.899 2.560 447 HG2 MET 63 HG3 MET 63 13.027 4.576 2.897 448 HG3 MET 63 HG2 MET 63 14.075 4.064 1.575 449 HE1 MET 63 HE1 MET 63 13.493 5.212 4.929 450 HE2 MET 63 HE2 MET 63 14.850 4.573 5.859 451 HE3 MET 63 HE3 MET 63 14.907 6.224 5.235 452 H ARG 64 H ARG 64 10.391 7.523 0.367 453 HA ARG 64 HA ARG 64 9.457 8.188 2.927 454 HB2 ARG 64 HB3 ARG 64 8.673 8.826 0.435 455 HB3 ARG 64 HB2 ARG 64 7.452 7.620 0.817 456 HG2 ARG 64 HG3 ARG 64 7.628 9.313 3.059 457 HG3 ARG 64 HG2 ARG 64 7.609 10.352 1.631 458 HD2 ARG 64 HD3 ARG 64 5.611 9.092 0.823 459 HD3 ARG 64 HD2 ARG 64 5.598 8.221 2.355 460 HE ARG 64 HE ARG 64 4.634 10.862 1.881 461 HH11 ARG 64 HH11 ARG 64 6.128 8.818 4.278 462 HH12 ARG 64 HH12 ARG 64 5.503 9.713 5.622 463 HH21 ARG 64 HH21 ARG 64 3.804 12.046 3.645 464 HH22 ARG 64 HH22 ARG 64 4.179 11.548 5.262 465 H GLY 65 H GLY 65 7.059 7.345 3.499 466 HA2 GLY 65 HA3 GLY 65 6.873 4.445 3.259 467 HA3 GLY 65 HA2 GLY 65 7.175 5.062 4.878 468 H VAL 66 H VAL 66 4.827 3.742 3.311 469 HA VAL 66 HA VAL 66 2.668 5.519 3.231 470 HB VAL 66 HB VAL 66 2.587 2.568 3.892 471 HG11 VAL 66 HG11 VAL 66 0.440 4.359 2.762 472 HG12 VAL 66 HG12 VAL 66 0.299 2.633 3.110 473 HG13 VAL 66 HG13 VAL 66 0.511 3.787 4.428 474 HG21 VAL 66 HG21 VAL 66 3.765 3.242 1.754 475 HG22 VAL 66 HG22 VAL 66 2.402 2.137 1.571 476 HG23 VAL 66 HG23 VAL 66 2.206 3.852 1.198 477 H ARG 67 H ARG 67 1.255 6.288 4.712 478 HA ARG 67 HA ARG 67 1.981 5.994 7.510 479 HB2 ARG 67 HB3 ARG 67 1.513 8.226 6.816 480 HB3 ARG 67 HB2 ARG 67 -0.002 7.745 6.056 481 HG2 ARG 67 HG3 ARG 67 -0.463 8.904 8.110 482 HG3 ARG 67 HG2 ARG 67 -0.916 7.206 8.282 483 HD2 ARG 67 HD3 ARG 67 1.486 6.941 9.250 484 HD3 ARG 67 HD2 ARG 67 1.393 8.687 9.481 485 HE ARG 67 HE ARG 67 -0.028 6.650 10.958 486 HH11 ARG 67 HH11 ARG 67 0.073 10.011 10.029 487 HH12 ARG 67 HH12 ARG 67 -0.876 10.546 11.379 488 HH21 ARG 67 HH21 ARG 67 -1.276 7.346 12.735 489 HH22 ARG 67 HH22 ARG 67 -1.642 9.030 12.916 490 H LEU 68 H LEU 68 0.798 5.006 9.074 491 HA LEU 68 HA LEU 68 -1.650 3.607 8.198 492 HB2 LEU 68 HB3 LEU 68 0.163 2.037 8.548 493 HB3 LEU 68 HB2 LEU 68 0.468 2.708 10.150 494 HG LEU 68 HG LEU 68 -0.801 0.457 9.909 495 HD11 LEU 68 HD11 LEU 68 -0.658 2.382 11.867 496 HD12 LEU 68 HD12 LEU 68 -1.323 0.759 12.060 497 HD13 LEU 68 HD13 LEU 68 -2.395 2.115 11.704 498 HD21 LEU 68 HD21 LEU 68 -3.006 0.460 9.333 499 HD22 LEU 68 HD22 LEU 68 -2.452 1.778 8.302 500 HD23 LEU 68 HD23 LEU 68 -3.254 2.136 9.830 501 H VAL 69 H VAL 69 -3.389 4.461 9.107 502 HA VAL 69 HA VAL 69 -3.282 5.161 11.965 503 HB VAL 69 HB VAL 69 -3.104 7.274 10.813 504 HG11 VAL 69 HG11 VAL 69 -4.086 6.412 8.658 505 HG12 VAL 69 HG12 VAL 69 -5.681 6.649 9.380 506 HG13 VAL 69 HG13 VAL 69 -4.608 8.028 9.136 507 HG21 VAL 69 HG21 VAL 69 -4.938 6.705 12.718 508 HG22 VAL 69 HG22 VAL 69 -4.611 8.331 12.115 509 HG23 VAL 69 HG23 VAL 69 -5.971 7.409 11.471 510 H GLU 70 H GLU 70 -4.780 4.077 13.043 511 HA GLU 70 HA GLU 70 -6.661 2.889 13.542 512 HB2 GLU 70 HB3 GLU 70 -7.992 4.521 11.378 513 HB3 GLU 70 HB2 GLU 70 -8.765 3.736 12.746 514 HG2 GLU 70 HG3 GLU 70 -7.019 5.332 14.037 515 HG3 GLU 70 HG2 GLU 70 -7.324 6.297 12.592 516 H GLY 71 H GLY 71 -4.859 2.063 11.273 517 HA2 GLY 71 HA3 GLY 71 -4.873 -0.040 10.201 518 HA3 GLY 71 HA2 GLY 71 -6.629 -0.043 10.271 519 H ILE 72 H ILE 72 -6.640 2.778 9.209 520 HA ILE 72 HA ILE 72 -6.732 2.036 6.420 521 HB ILE 72 HB ILE 72 -7.203 4.734 7.698 522 HG12 ILE 72 HG13 ILE 72 -9.647 3.798 6.923 523 HG13 ILE 72 HG12 ILE 72 -8.865 2.308 7.415 524 HG21 ILE 72 HG21 ILE 72 -8.672 4.680 5.408 525 HG22 ILE 72 HG22 ILE 72 -7.070 5.407 5.564 526 HG23 ILE 72 HG23 ILE 72 -7.240 3.769 4.929 527 HD11 ILE 72 HD11 ILE 72 -8.306 4.193 9.419 528 HD12 ILE 72 HD12 ILE 72 -10.017 4.362 9.027 529 HD13 ILE 72 HD13 ILE 72 -9.373 2.791 9.509 530 H LEU 73 H LEU 73 -4.934 1.969 5.249 531 HA LEU 73 HA LEU 73 -2.575 3.436 5.934 532 HB2 LEU 73 HB3 LEU 73 -3.371 1.700 3.621 533 HB3 LEU 73 HB2 LEU 73 -1.855 2.579 3.607 534 HG LEU 73 HG LEU 73 -1.456 0.312 4.293 535 HD11 LEU 73 HD11 LEU 73 -0.307 0.688 6.376 536 HD12 LEU 73 HD12 LEU 73 -1.297 2.109 6.707 537 HD13 LEU 73 HD13 LEU 73 -0.156 2.126 5.366 538 HD21 LEU 73 HD21 LEU 73 -3.259 0.748 6.658 539 HD22 LEU 73 HD22 LEU 73 -2.526 -0.756 6.102 540 HD23 LEU 73 HD23 LEU 73 -3.819 -0.004 5.163 541 H HIS 74 H HIS 74 -2.485 5.570 5.690 542 HA HIS 74 HA HIS 74 -3.959 6.902 3.576 543 HB2 HIS 74 HB3 HIS 74 -3.891 7.958 5.760 544 HB3 HIS 74 HB2 HIS 74 -2.139 7.965 5.739 545 HD1 HIS 74 HD1 HIS 74 -4.244 9.030 2.801 546 HD2 HIS 74 HD2 HIS 74 -1.831 10.709 5.745 547 HE1 HIS 74 HE1 HIS 74 -3.959 11.444 2.147 548 HE2 HIS 74 HE2 HIS 74 -2.481 12.470 3.954 549 H ALA 75 H ALA 75 -3.140 7.805 1.756 550 HA ALA 75 HA ALA 75 -0.423 7.049 1.024 551 HB1 ALA 75 HB1 ALA 75 -1.872 8.561 -0.985 552 HB2 ALA 75 HB2 ALA 75 -1.910 8.561 -0.962 553 HB3 ALA 75 HB3 ALA 75 -2.796 7.161 -0.373 554 HA PRO 76 HA PRO 76 1.461 10.987 1.451 555 HB2 PRO 76 HB3 PRO 76 3.052 11.112 -0.750 556 HB3 PRO 76 HB2 PRO 76 3.388 10.048 0.621 557 HG2 PRO 76 HG3 PRO 76 2.106 9.406 -1.998 558 HG3 PRO 76 HG2 PRO 76 3.313 8.488 -1.102 559 HD2 PRO 76 HD3 PRO 76 0.685 7.845 -1.063 560 HD3 PRO 76 HD2 PRO 76 1.747 7.579 0.329 561 H ASP 77 H ASP 77 2.189 12.935 -0.143 562 HA ASP 77 HA ASP 77 -0.307 14.021 -1.096 563 HB2 ASP 77 HB3 ASP 77 2.502 15.152 -1.096 564 HB3 ASP 77 HB2 ASP 77 1.064 16.049 -1.584 565 H ALA 78 H ALA 78 1.834 11.955 -2.464 566 HA ALA 78 HA ALA 78 1.500 13.066 -5.173 567 HB1 ALA 78 HB1 ALA 78 3.267 10.743 -4.894 568 HB2 ALA 78 HB2 ALA 78 3.271 10.749 -4.848 569 HB3 ALA 78 HB3 ALA 78 3.785 12.190 -3.979 570 H GLY 79 H GLY 79 0.807 10.337 -3.107 571 HA2 GLY 79 HA3 GLY 79 -1.307 9.177 -3.726 572 HA3 GLY 79 HA2 GLY 79 -0.655 9.089 -5.349 573 H TRP 80 H TRP 80 -1.143 6.770 -5.046 574 HA TRP 80 HA TRP 80 0.638 5.319 -3.264 575 HB2 TRP 80 HB3 TRP 80 -1.467 4.377 -5.226 576 HB3 TRP 80 HB2 TRP 80 -0.510 3.304 -4.224 577 HD1 TRP 80 HD1 TRP 80 -3.692 5.154 -4.222 578 HE1 TRP 80 HE1 TRP 80 -4.750 5.168 -1.871 579 HE3 TRP 80 HE3 TRP 80 0.327 3.513 -1.529 580 HZ2 TRP 80 HZ2 TRP 80 -3.971 4.550 0.771 581 HZ3 TRP 80 HZ3 TRP 80 0.089 3.247 0.903 582 HH2 TRP 80 HH2 TRP 80 -2.015 3.759 2.029 583 H GLY 81 H GLY 81 -0.049 5.205 -6.774 584 HA2 GLY 81 HA3 GLY 81 1.532 5.177 -8.506 585 HA3 GLY 81 HA2 GLY 81 2.809 4.986 -7.312 586 H ASN 82 H ASN 82 3.616 3.387 -8.869 587 HA ASN 82 HA ASN 82 2.333 0.768 -8.416 588 HB2 ASN 82 HB3 ASN 82 3.449 0.236 -10.742 589 HB3 ASN 82 HB2 ASN 82 1.874 1.021 -10.667 590 HD21 ASN 82 HD21 ASN 82 1.620 2.977 -11.552 591 HD22 ASN 82 HD22 ASN 82 2.899 3.915 -12.258 592 H LEU 83 H LEU 83 4.366 1.921 -6.823 593 HA LEU 83 HA LEU 83 6.843 0.595 -7.632 594 HB2 LEU 83 HB3 LEU 83 7.631 1.628 -5.406 595 HB3 LEU 83 HB2 LEU 83 7.327 2.686 -6.781 596 HG LEU 83 HG LEU 83 5.191 3.351 -5.818 597 HD11 LEU 83 HD11 LEU 83 4.592 1.304 -4.678 598 HD12 LEU 83 HD12 LEU 83 4.596 2.644 -3.536 599 HD13 LEU 83 HD13 LEU 83 5.939 1.500 -3.555 600 HD21 LEU 83 HD21 LEU 83 7.064 4.706 -5.226 601 HD22 LEU 83 HD22 LEU 83 7.565 3.566 -3.973 602 HD23 LEU 83 HD23 LEU 83 6.075 4.497 -3.781 603 H VAL 84 H VAL 84 8.015 -0.256 -5.423 604 HA VAL 84 HA VAL 84 6.276 -2.458 -4.550 605 HB VAL 84 HB VAL 84 9.276 -2.194 -4.264 606 HG11 VAL 84 HG11 VAL 84 8.066 -3.688 -2.641 607 HG12 VAL 84 HG12 VAL 84 7.571 -4.665 -4.024 608 HG13 VAL 84 HG13 VAL 84 9.281 -4.488 -3.637 609 HG21 VAL 84 HG21 VAL 84 9.384 -2.661 -6.438 610 HG22 VAL 84 HG22 VAL 84 8.673 -4.234 -6.071 611 HG23 VAL 84 HG23 VAL 84 7.636 -2.886 -6.539 612 H TYR 85 H TYR 85 5.733 -2.793 -2.461 613 HA TYR 85 HA TYR 85 6.583 -0.737 -0.535 614 HB2 TYR 85 HB3 TYR 85 4.538 -0.962 0.528 615 HB3 TYR 85 HB2 TYR 85 4.088 -1.236 -1.130 616 HD1 TYR 85 HD1 TYR 85 3.660 -3.561 -1.929 617 HD2 TYR 85 HD2 TYR 85 4.312 -2.677 2.178 618 HE1 TYR 85 HE1 TYR 85 2.688 -5.734 -1.315 619 HE2 TYR 85 HE2 TYR 85 3.340 -4.846 2.804 620 HH TYR 85 HH TYR 85 2.447 -6.743 2.085 621 H VAL 86 H VAL 86 7.327 -1.282 1.508 622 HA VAL 86 HA VAL 86 8.351 -4.032 1.734 623 HB VAL 86 HB VAL 86 9.184 -1.529 3.211 624 HG11 VAL 86 HG11 VAL 86 9.650 -4.333 3.744 625 HG12 VAL 86 HG12 VAL 86 11.163 -3.470 3.461 626 HG13 VAL 86 HG13 VAL 86 10.054 -2.916 4.718 627 HG21 VAL 86 HG21 VAL 86 9.750 -2.177 0.629 628 HG22 VAL 86 HG22 VAL 86 10.782 -1.193 1.670 629 HG23 VAL 86 HG23 VAL 86 11.106 -2.919 1.481 630 H VAL 87 H VAL 87 7.245 -5.383 2.977 631 HA VAL 87 HA VAL 87 5.174 -4.602 4.724 632 HB VAL 87 HB VAL 87 5.335 -6.975 5.581 633 HG11 VAL 87 HG11 VAL 87 5.085 -6.408 2.635 634 HG12 VAL 87 HG12 VAL 87 4.678 -7.969 3.358 635 HG13 VAL 87 HG13 VAL 87 3.793 -6.518 3.838 636 HG21 VAL 87 HG21 VAL 87 7.817 -7.121 5.078 637 HG22 VAL 87 HG22 VAL 87 6.841 -8.511 4.602 638 HG23 VAL 87 HG23 VAL 87 7.364 -7.344 3.386 639 H ASN 88 H ASN 88 5.047 -4.429 6.938 640 HA ASN 88 HA ASN 88 7.481 -4.796 8.520 641 HB2 ASN 88 HB3 ASN 88 5.940 -2.193 8.587 642 HB3 ASN 88 HB2 ASN 88 7.412 -2.577 9.466 643 HD21 ASN 88 HD21 ASN 88 6.245 -0.925 6.924 644 HD22 ASN 88 HD22 ASN 88 7.660 -0.880 5.915 645 H TYR 89 H TYR 89 6.749 -6.245 9.945 646 HA TYR 89 HA TYR 89 4.044 -6.256 10.900 647 HB2 TYR 89 HB3 TYR 89 6.368 -7.768 12.096 648 HB3 TYR 89 HB2 TYR 89 4.657 -8.189 12.149 649 HD1 TYR 89 HD1 TYR 89 3.607 -8.314 9.620 650 HD2 TYR 89 HD2 TYR 89 7.650 -9.083 10.715 651 HE1 TYR 89 HE1 TYR 89 3.881 -9.701 7.609 652 HE2 TYR 89 HE2 TYR 89 7.935 -10.471 8.704 653 HH TYR 89 HH TYR 89 5.649 -11.795 7.042 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -35.471 9.114 12.327 2 H2 MET 1 H2 MET 1 -34.348 9.930 13.226 3 H3 MET 1 H3 MET 1 -35.106 10.686 11.966 4 HA MET 1 HA MET 1 -32.786 9.186 11.979 5 HB2 MET 1 HB3 MET 1 -33.308 7.750 10.025 6 HB3 MET 1 HB2 MET 1 -34.184 7.276 11.477 7 HG2 MET 1 HG3 MET 1 -35.885 7.164 9.993 8 HG3 MET 1 HG2 MET 1 -36.029 8.864 10.436 9 HE1 MET 1 HE1 MET 1 -37.181 9.869 8.316 10 HE2 MET 1 HE2 MET 1 -36.891 9.208 6.704 11 HE3 MET 1 HE3 MET 1 -37.498 8.161 7.992 12 H ALA 2 H ALA 2 -35.258 11.106 10.455 13 HA ALA 2 HA ALA 2 -33.993 11.804 8.068 14 HB1 ALA 2 HB1 ALA 2 -35.340 14.108 8.926 15 HB2 ALA 2 HB2 ALA 2 -35.346 14.097 8.969 16 HB3 ALA 2 HB3 ALA 2 -36.239 12.721 9.605 17 H GLY 3 H GLY 3 -32.686 13.548 7.456 18 HA2 GLY 3 HA3 GLY 3 -31.091 15.199 7.708 19 HA3 GLY 3 HA2 GLY 3 -31.651 15.420 9.362 20 H SER 4 H SER 4 -29.945 12.933 7.447 21 HA SER 4 HA SER 4 -28.386 12.179 9.779 22 HB2 SER 4 HB3 SER 4 -28.150 11.158 6.937 23 HB3 SER 4 HB2 SER 4 -27.505 10.400 8.395 24 HG SER 4 HG SER 4 -29.621 10.034 9.090 25 H HIS 5 H HIS 5 -27.723 13.444 6.513 26 HA HIS 5 HA HIS 5 -25.255 14.650 7.587 27 HB2 HIS 5 HB3 HIS 5 -24.209 14.198 5.331 28 HB3 HIS 5 HB2 HIS 5 -24.484 12.773 6.331 29 HD1 HIS 5 HD1 HIS 5 -26.613 11.289 5.653 30 HD2 HIS 5 HD2 HIS 5 -25.390 14.125 2.866 31 HE1 HIS 5 HE1 HIS 5 -27.704 10.621 3.483 32 HE2 HIS 5 HE2 HIS 5 -26.954 12.362 1.780 33 H HIS 6 H HIS 6 -25.147 16.767 7.268 34 HA HIS 6 HA HIS 6 -27.179 18.140 5.799 35 HB2 HIS 6 HB3 HIS 6 -24.607 19.243 6.954 36 HB3 HIS 6 HB2 HIS 6 -26.023 20.176 6.475 37 HD1 HIS 6 HD1 HIS 6 -24.529 19.497 9.424 38 HD2 HIS 6 HD2 HIS 6 -28.353 18.587 8.059 39 HE1 HIS 6 HE1 HIS 6 -25.925 19.154 11.492 40 HE2 HIS 6 HE2 HIS 6 -28.265 18.598 10.651 41 H HIS 7 H HIS 7 -23.807 17.320 5.210 42 HA HIS 7 HA HIS 7 -23.989 18.595 2.558 43 HB2 HIS 7 HB3 HIS 7 -21.705 18.012 4.405 44 HB3 HIS 7 HB2 HIS 7 -21.402 18.093 2.670 45 HD1 HIS 7 HD1 HIS 7 -20.449 20.147 4.985 46 HD2 HIS 7 HD2 HIS 7 -23.458 20.714 2.169 47 HE1 HIS 7 HE1 HIS 7 -20.705 22.643 4.759 48 HE2 HIS 7 HE2 HIS 7 -22.549 22.985 3.032 49 H HIS 8 H HIS 8 -23.289 17.460 0.706 50 HA HIS 8 HA HIS 8 -23.718 14.575 0.915 51 HB2 HIS 8 HB3 HIS 8 -23.561 16.438 -1.464 52 HB3 HIS 8 HB2 HIS 8 -23.778 14.694 -1.598 53 HD1 HIS 8 HD1 HIS 8 -25.632 17.796 -1.240 54 HD2 HIS 8 HD2 HIS 8 -26.270 13.787 -0.325 55 HE1 HIS 8 HE1 HIS 8 -28.117 17.565 -0.894 56 HE2 HIS 8 HE2 HIS 8 -28.502 15.109 -0.335 57 H HIS 9 H HIS 9 -22.105 13.169 0.934 58 HA HIS 9 HA HIS 9 -19.400 14.093 0.348 59 HB2 HIS 9 HB3 HIS 9 -19.990 12.746 2.414 60 HB3 HIS 9 HB2 HIS 9 -20.237 11.365 1.343 61 HD1 HIS 9 HD1 HIS 9 -18.284 9.873 1.538 62 HD2 HIS 9 HD2 HIS 9 -17.174 13.883 1.588 63 HE1 HIS 9 HE1 HIS 9 -15.768 9.879 1.655 64 HE2 HIS 9 HE2 HIS 9 -15.093 12.336 1.685 65 H HIS 10 H HIS 10 -21.881 12.081 -1.008 66 HA HIS 10 HA HIS 10 -20.228 10.564 -2.761 67 HB2 HIS 10 HB3 HIS 10 -22.507 9.859 -2.155 68 HB3 HIS 10 HB2 HIS 10 -23.168 11.261 -2.995 69 HD1 HIS 10 HD1 HIS 10 -23.432 11.108 -5.514 70 HD2 HIS 10 HD2 HIS 10 -21.443 7.844 -3.870 71 HE1 HIS 10 HE1 HIS 10 -23.276 9.408 -7.365 72 HE2 HIS 10 HE2 HIS 10 -22.055 7.411 -6.355 73 H GLY 11 H GLY 11 -19.760 10.850 -4.935 74 HA2 GLY 11 HA3 GLY 11 -19.995 12.035 -7.017 75 HA3 GLY 11 HA2 GLY 11 -20.476 13.461 -6.108 76 H SER 12 H SER 12 -17.737 11.389 -5.334 77 HA SER 12 HA SER 12 -15.931 13.579 -6.144 78 HB2 SER 12 HB3 SER 12 -16.153 13.591 -3.708 79 HB3 SER 12 HB2 SER 12 -15.739 11.876 -3.644 80 HG SER 12 HG SER 12 -14.085 13.897 -3.541 81 H MET 13 H MET 13 -13.942 13.002 -6.990 82 HA MET 13 HA MET 13 -13.832 10.522 -8.360 83 HB2 MET 13 HB3 MET 13 -11.917 12.797 -7.962 84 HB3 MET 13 HB2 MET 13 -11.361 11.308 -8.718 85 HG2 MET 13 HG3 MET 13 -11.959 12.491 -10.564 86 HG3 MET 13 HG2 MET 13 -13.479 11.662 -10.227 87 HE1 MET 13 HE1 MET 13 -15.506 14.156 -11.185 88 HE2 MET 13 HE2 MET 13 -15.274 12.508 -10.592 89 HE3 MET 13 HE3 MET 13 -15.973 13.737 -9.534 90 H SER 14 H SER 14 -11.748 9.151 -8.245 91 HA SER 14 HA SER 14 -10.561 8.851 -5.640 92 HB2 SER 14 HB3 SER 14 -11.430 6.651 -5.125 93 HB3 SER 14 HB2 SER 14 -12.791 7.754 -5.345 94 HG SER 14 HG SER 14 -13.131 5.791 -6.452 95 H GLU 15 H GLU 15 -8.826 7.353 -5.611 96 HA GLU 15 HA GLU 15 -8.004 6.436 -8.301 97 HB2 GLU 15 HB3 GLU 15 -6.520 7.895 -6.175 98 HB3 GLU 15 HB2 GLU 15 -5.635 6.670 -7.070 99 HG2 GLU 15 HG3 GLU 15 -7.211 8.740 -8.537 100 HG3 GLU 15 HG2 GLU 15 -5.619 9.130 -7.882 101 H TYR 16 H TYR 16 -6.032 4.805 -7.944 102 HA TYR 16 HA TYR 16 -6.943 2.820 -5.955 103 HB2 TYR 16 HB3 TYR 16 -6.195 1.073 -7.561 104 HB3 TYR 16 HB2 TYR 16 -7.527 2.044 -8.172 105 HD1 TYR 16 HD1 TYR 16 -7.011 3.897 -9.825 106 HD2 TYR 16 HD2 TYR 16 -4.165 0.918 -8.750 107 HE1 TYR 16 HE1 TYR 16 -5.714 4.414 -11.848 108 HE2 TYR 16 HE2 TYR 16 -2.865 1.429 -10.772 109 HH TYR 16 HH TYR 16 -3.462 4.191 -12.700 110 H ILE 17 H ILE 17 -5.254 1.237 -5.320 111 HA ILE 17 HA ILE 17 -2.639 2.591 -5.123 112 HB ILE 17 HB ILE 17 -3.546 2.345 -2.944 113 HG12 ILE 17 HG13 ILE 17 -1.632 0.054 -3.400 114 HG13 ILE 17 HG12 ILE 17 -1.162 1.722 -3.193 115 HG21 ILE 17 HG21 ILE 17 -3.900 -0.375 -2.475 116 HG22 ILE 17 HG22 ILE 17 -5.159 0.848 -2.628 117 HG23 ILE 17 HG23 ILE 17 -4.660 -0.082 -4.037 118 HD11 ILE 17 HD11 ILE 17 -2.434 -0.083 -1.160 119 HD12 ILE 17 HD12 ILE 17 -0.819 0.625 -1.123 120 HD13 ILE 17 HD13 ILE 17 -2.237 1.656 -0.938 121 H ARG 18 H ARG 18 -0.974 1.707 -6.140 122 HA ARG 18 HA ARG 18 -1.134 -1.157 -6.854 123 HB2 ARG 18 HB3 ARG 18 -0.518 1.217 -8.449 124 HB3 ARG 18 HB2 ARG 18 0.697 -0.038 -8.588 125 HG2 ARG 18 HG3 ARG 18 -1.570 -1.493 -8.856 126 HG3 ARG 18 HG2 ARG 18 -2.051 0.039 -9.585 127 HD2 ARG 18 HD3 ARG 18 0.588 -1.114 -10.336 128 HD3 ARG 18 HD2 ARG 18 -0.867 -1.867 -10.990 129 HE ARG 18 HE ARG 18 -0.814 0.991 -11.309 130 HH11 ARG 18 HH11 ARG 18 0.187 -2.060 -12.666 131 HH12 ARG 18 HH12 ARG 18 0.314 -1.447 -14.283 132 HH21 ARG 18 HH21 ARG 18 -0.649 1.807 -13.432 133 HH22 ARG 18 HH22 ARG 18 -0.160 0.753 -14.716 134 H VAL 19 H VAL 19 0.088 -2.177 -5.384 135 HA VAL 19 HA VAL 19 2.923 -1.504 -5.272 136 HB VAL 19 HB VAL 19 2.906 -1.755 -2.756 137 HG11 VAL 19 HG11 VAL 19 1.376 0.706 -3.320 138 HG12 VAL 19 HG12 VAL 19 2.950 0.495 -2.542 139 HG13 VAL 19 HG13 VAL 19 2.817 0.443 -4.301 140 HG21 VAL 19 HG21 VAL 19 -0.019 -1.093 -3.064 141 HG22 VAL 19 HG22 VAL 19 0.601 -2.691 -2.642 142 HG23 VAL 19 HG23 VAL 19 0.869 -1.325 -1.557 143 H THR 20 H THR 20 4.244 -3.206 -4.443 144 HA THR 20 HA THR 20 2.879 -5.819 -4.252 145 HB THR 20 HB THR 20 3.782 -5.918 -6.415 146 HG1 THR 20 HG1 THR 20 5.956 -6.954 -4.912 147 HG21 THR 20 HG21 THR 20 5.995 -4.309 -5.250 148 HG22 THR 20 HG22 THR 20 5.144 -4.116 -6.781 149 HG23 THR 20 HG23 THR 20 6.372 -5.371 -6.606 150 H GLU 21 H GLU 21 3.983 -7.436 -3.036 151 HA GLU 21 HA GLU 21 5.423 -6.338 -0.789 152 HB2 GLU 21 HB3 GLU 21 3.664 -8.288 -0.869 153 HB3 GLU 21 HB2 GLU 21 5.058 -9.275 -1.230 154 HG2 GLU 21 HG3 GLU 21 5.301 -7.453 1.074 155 HG3 GLU 21 HG2 GLU 21 4.185 -8.793 1.254 156 H ASP 22 H ASP 22 6.124 -8.744 -3.320 157 HA ASP 22 HA ASP 22 8.976 -8.557 -2.626 158 HB2 ASP 22 HB3 ASP 22 7.841 -10.559 -4.556 159 HB3 ASP 22 HB2 ASP 22 9.289 -10.678 -3.555 160 H GLU 23 H GLU 23 10.523 -8.009 -4.136 161 HA GLU 23 HA GLU 23 9.711 -6.231 -6.197 162 HB2 GLU 23 HB3 GLU 23 12.113 -6.145 -6.771 163 HB3 GLU 23 HB2 GLU 23 11.823 -5.916 -5.050 164 HG2 GLU 23 HG3 GLU 23 12.325 -8.384 -4.778 165 HG3 GLU 23 HG2 GLU 23 12.903 -8.348 -6.444 166 H ASN 24 H ASN 24 10.548 -9.620 -6.120 167 HA ASN 24 HA ASN 24 10.983 -9.966 -8.902 168 HB2 ASN 24 HB3 ASN 24 9.929 -12.092 -7.035 169 HB3 ASN 24 HB2 ASN 24 10.930 -12.301 -8.470 170 HD21 ASN 24 HD21 ASN 24 13.130 -11.852 -8.364 171 HD22 ASN 24 HD22 ASN 24 13.965 -11.699 -6.850 172 H ASP 25 H ASP 25 8.127 -9.736 -6.946 173 HA ASP 25 HA ASP 25 6.409 -10.784 -9.056 174 HB2 ASP 25 HB3 ASP 25 6.090 -11.146 -6.509 175 HB3 ASP 25 HB2 ASP 25 5.443 -9.506 -6.508 176 H GLU 26 H GLU 26 4.370 -9.454 -9.515 177 HA GLU 26 HA GLU 26 5.257 -6.783 -10.319 178 HB2 GLU 26 HB3 GLU 26 3.108 -8.657 -11.219 179 HB3 GLU 26 HB2 GLU 26 2.908 -6.935 -11.520 180 HG2 GLU 26 HG3 GLU 26 4.639 -6.846 -13.011 181 HG3 GLU 26 HG2 GLU 26 5.477 -8.223 -12.291 182 HA PRO 27 HA PRO 27 2.802 -4.548 -7.451 183 HB2 PRO 27 HB3 PRO 27 1.893 -2.487 -8.951 184 HB3 PRO 27 HB2 PRO 27 3.572 -2.624 -8.443 185 HG2 PRO 27 HG3 PRO 27 2.332 -3.330 -11.078 186 HG3 PRO 27 HG2 PRO 27 3.864 -2.495 -10.749 187 HD2 PRO 27 HD3 PRO 27 3.746 -5.121 -11.401 188 HD3 PRO 27 HD2 PRO 27 4.988 -4.461 -10.313 189 H ILE 28 H ILE 28 0.986 -5.477 -6.717 190 HA ILE 28 HA ILE 28 -1.203 -6.167 -8.452 191 HB ILE 28 HB ILE 28 -0.764 -7.601 -6.569 192 HG12 ILE 28 HG13 ILE 28 -2.990 -7.677 -5.537 193 HG13 ILE 28 HG12 ILE 28 -3.315 -6.039 -6.093 194 HG21 ILE 28 HG21 ILE 28 0.279 -6.208 -4.991 195 HG22 ILE 28 HG22 ILE 28 -1.086 -5.090 -4.951 196 HG23 ILE 28 HG23 ILE 28 -1.238 -6.694 -4.233 197 HD11 ILE 28 HD11 ILE 28 -2.547 -7.666 -8.317 198 HD12 ILE 28 HD12 ILE 28 -3.849 -8.448 -7.420 199 HD13 ILE 28 HD13 ILE 28 -4.060 -6.804 -8.028 200 H GLU 29 H GLU 29 -3.150 -5.173 -8.697 201 HA GLU 29 HA GLU 29 -3.352 -2.455 -7.596 202 HB2 GLU 29 HB3 GLU 29 -5.073 -3.607 -9.782 203 HB3 GLU 29 HB2 GLU 29 -4.772 -1.914 -9.411 204 HG2 GLU 29 HG3 GLU 29 -3.199 -1.919 -10.965 205 HG3 GLU 29 HG2 GLU 29 -2.258 -3.011 -9.948 206 H ILE 30 H ILE 30 -4.610 -2.165 -5.892 207 HA ILE 30 HA ILE 30 -7.012 -3.861 -5.614 208 HB ILE 30 HB ILE 30 -6.590 -3.221 -3.056 209 HG12 ILE 30 HG13 ILE 30 -3.761 -3.692 -3.924 210 HG13 ILE 30 HG12 ILE 30 -4.400 -2.067 -3.947 211 HG21 ILE 30 HG21 ILE 30 -5.261 -5.494 -4.531 212 HG22 ILE 30 HG22 ILE 30 -5.530 -5.432 -2.788 213 HG23 ILE 30 HG23 ILE 30 -6.906 -5.472 -3.893 214 HD11 ILE 30 HD11 ILE 30 -4.309 -3.868 -1.545 215 HD12 ILE 30 HD12 ILE 30 -3.213 -2.525 -1.881 216 HD13 ILE 30 HD13 ILE 30 -4.924 -2.213 -1.578 217 HA PRO 31 HA PRO 31 -9.439 -0.227 -5.214 218 HB2 PRO 31 HB3 PRO 31 -11.259 -0.956 -3.331 219 HB3 PRO 31 HB2 PRO 31 -11.270 -1.598 -4.981 220 HG2 PRO 31 HG3 PRO 31 -10.191 -2.833 -2.475 221 HG3 PRO 31 HG2 PRO 31 -11.139 -3.583 -3.775 222 HD2 PRO 31 HD3 PRO 31 -8.453 -3.860 -3.585 223 HD3 PRO 31 HD2 PRO 31 -9.301 -3.825 -5.147 224 H SER 32 H SER 32 -9.797 1.616 -3.960 225 HA SER 32 HA SER 32 -8.791 1.621 -1.208 226 HB2 SER 32 HB3 SER 32 -6.862 2.594 -1.822 227 HB3 SER 32 HB2 SER 32 -7.419 2.799 -3.484 228 HG SER 32 HG SER 32 -7.730 4.821 -3.053 229 H GLU 33 H GLU 33 -9.453 3.480 0.025 230 HA GLU 33 HA GLU 33 -12.127 4.193 -0.358 231 HB2 GLU 33 HB3 GLU 33 -9.989 4.865 1.502 232 HB3 GLU 33 HB2 GLU 33 -11.058 6.229 1.205 233 HG2 GLU 33 HG3 GLU 33 -12.019 3.498 2.009 234 HG3 GLU 33 HG2 GLU 33 -11.683 4.802 3.150 235 H ASP 34 H ASP 34 -12.946 6.477 -0.528 236 HA ASP 34 HA ASP 34 -12.096 7.583 -3.014 237 HB2 ASP 34 HB3 ASP 34 -13.913 8.921 -1.005 238 HB3 ASP 34 HB2 ASP 34 -13.879 9.146 -2.754 239 H ASP 35 H ASP 35 -11.521 8.376 0.348 240 HA ASP 35 HA ASP 35 -10.481 10.973 -0.021 241 HB2 ASP 35 HB3 ASP 35 -9.259 10.413 2.191 242 HB3 ASP 35 HB2 ASP 35 -11.022 10.446 2.192 243 H GLY 36 H GLY 36 -9.197 7.870 -0.724 244 HA2 GLY 36 HA3 GLY 36 -7.290 7.848 -2.256 245 HA3 GLY 36 HA2 GLY 36 -6.576 9.117 -1.293 246 H THR 37 H THR 37 -7.785 7.411 1.065 247 HA THR 37 HA THR 37 -5.296 6.021 1.578 248 HB THR 37 HB THR 37 -6.153 5.592 3.784 249 HG1 THR 37 HG1 THR 37 -8.615 6.162 2.553 250 HG21 THR 37 HG21 THR 37 -6.094 8.221 2.625 251 HG22 THR 37 HG22 THR 37 -5.618 7.706 4.246 252 HG23 THR 37 HG23 THR 37 -7.290 8.163 3.920 253 H VAL 38 H VAL 38 -5.786 3.804 2.891 254 HA VAL 38 HA VAL 38 -7.510 2.140 1.168 255 HB VAL 38 HB VAL 38 -4.674 1.542 2.016 256 HG11 VAL 38 HG11 VAL 38 -5.144 -0.624 0.695 257 HG12 VAL 38 HG12 VAL 38 -5.717 -0.506 2.361 258 HG13 VAL 38 HG13 VAL 38 -6.844 -0.274 1.021 259 HG21 VAL 38 HG21 VAL 38 -4.095 1.673 -0.201 260 HG22 VAL 38 HG22 VAL 38 -5.729 1.310 -0.764 261 HG23 VAL 38 HG23 VAL 38 -5.352 2.908 -0.120 262 H LEU 39 H LEU 39 -8.940 1.014 2.299 263 HA LEU 39 HA LEU 39 -9.038 1.029 5.111 264 HB2 LEU 39 HB3 LEU 39 -10.555 -0.153 2.910 265 HB3 LEU 39 HB2 LEU 39 -10.569 -1.136 4.375 266 HG LEU 39 HG LEU 39 -12.508 0.419 4.140 267 HD11 LEU 39 HD11 LEU 39 -10.644 0.449 6.473 268 HD12 LEU 39 HD12 LEU 39 -12.239 -0.289 6.310 269 HD13 LEU 39 HD13 LEU 39 -12.093 1.460 6.502 270 HD21 LEU 39 HD21 LEU 39 -10.625 2.638 4.858 271 HD22 LEU 39 HD22 LEU 39 -12.283 2.729 4.262 272 HD23 LEU 39 HD23 LEU 39 -10.976 2.256 3.172 273 H LEU 40 H LEU 40 -8.615 -0.537 6.655 274 HA LEU 40 HA LEU 40 -6.334 -2.128 6.263 275 HB2 LEU 40 HB3 LEU 40 -7.079 -1.275 8.445 276 HB3 LEU 40 HB2 LEU 40 -8.458 -2.371 8.395 277 HG LEU 40 HG LEU 40 -6.405 -2.998 9.832 278 HD11 LEU 40 HD11 LEU 40 -6.760 -5.413 8.437 279 HD12 LEU 40 HD12 LEU 40 -8.283 -4.534 8.314 280 HD13 LEU 40 HD13 LEU 40 -7.585 -4.872 9.897 281 HD21 LEU 40 HD21 LEU 40 -4.961 -2.576 7.646 282 HD22 LEU 40 HD22 LEU 40 -5.343 -4.277 7.368 283 HD23 LEU 40 HD23 LEU 40 -4.510 -3.788 8.846 284 H SER 41 H SER 41 -9.682 -2.758 5.695 285 HA SER 41 HA SER 41 -9.607 -5.594 5.810 286 HB2 SER 41 HB3 SER 41 -11.774 -5.546 4.893 287 HB3 SER 41 HB2 SER 41 -11.660 -4.027 5.784 288 HG SER 41 HG SER 41 -12.116 -3.102 3.961 289 H THR 42 H THR 42 -9.210 -3.272 3.159 290 HA THR 42 HA THR 42 -8.888 -5.260 1.136 291 HB THR 42 HB THR 42 -7.853 -2.427 0.995 292 HG1 THR 42 HG1 THR 42 -10.499 -3.416 0.590 293 HG21 THR 42 HG21 THR 42 -7.210 -3.932 -0.839 294 HG22 THR 42 HG22 THR 42 -8.318 -2.676 -1.392 295 HG23 THR 42 HG23 THR 42 -8.910 -4.315 -1.117 296 H VAL 43 H VAL 43 -6.725 -3.632 3.345 297 HA VAL 43 HA VAL 43 -4.285 -4.222 2.023 298 HB VAL 43 HB VAL 43 -4.962 -3.596 4.893 299 HG11 VAL 43 HG11 VAL 43 -2.385 -3.331 5.073 300 HG12 VAL 43 HG12 VAL 43 -3.107 -4.933 5.259 301 HG13 VAL 43 HG13 VAL 43 -2.348 -4.474 3.729 302 HG21 VAL 43 HG21 VAL 43 -4.841 -1.518 4.110 303 HG22 VAL 43 HG22 VAL 43 -3.120 -1.779 3.820 304 HG23 VAL 43 HG23 VAL 43 -4.287 -2.087 2.533 305 H THR 44 H THR 44 -6.299 -6.031 4.263 306 HA THR 44 HA THR 44 -4.333 -8.118 4.637 307 HB THR 44 HB THR 44 -5.961 -9.229 5.992 308 HG1 THR 44 HG1 THR 44 -8.081 -8.933 5.773 309 HG21 THR 44 HG21 THR 44 -6.910 -6.671 6.892 310 HG22 THR 44 HG22 THR 44 -5.211 -6.551 6.425 311 HG23 THR 44 HG23 THR 44 -5.716 -7.739 7.631 312 H ALA 45 H ALA 45 -6.641 -7.343 2.273 313 HA ALA 45 HA ALA 45 -7.456 -9.924 1.454 314 HB1 ALA 45 HB1 ALA 45 -8.393 -7.586 0.812 315 HB2 ALA 45 HB2 ALA 45 -8.414 -7.619 0.811 316 HB3 ALA 45 HB3 ALA 45 -8.402 -8.895 -0.404 317 H GLN 46 H GLN 46 -4.764 -7.840 0.449 318 HA GLN 46 HA GLN 46 -3.654 -10.129 -1.047 319 HB2 GLN 46 HB3 GLN 46 -2.950 -7.216 -1.426 320 HB3 GLN 46 HB2 GLN 46 -2.493 -8.564 -2.447 321 HG2 GLN 46 HG3 GLN 46 -5.319 -7.624 -2.031 322 HG3 GLN 46 HG2 GLN 46 -4.294 -7.159 -3.389 323 HE21 GLN 46 HE21 GLN 46 -6.849 -8.642 -3.274 324 HE22 GLN 46 HE22 GLN 46 -6.550 -10.138 -4.102 325 H PHE 47 H PHE 47 -3.142 -7.841 1.500 326 HA PHE 47 HA PHE 47 -0.489 -9.045 1.996 327 HB2 PHE 47 HB3 PHE 47 -1.114 -6.260 2.899 328 HB3 PHE 47 HB2 PHE 47 0.431 -6.996 2.584 329 HD1 PHE 47 HD1 PHE 47 0.274 -8.021 -0.079 330 HD2 PHE 47 HD2 PHE 47 -1.415 -4.451 1.515 331 HE1 PHE 47 HE1 PHE 47 0.290 -7.017 -2.321 332 HE2 PHE 47 HE2 PHE 47 -1.403 -3.441 -0.727 333 HZ PHE 47 HZ PHE 47 -0.559 -4.721 -2.652 334 HA PRO 48 HA PRO 48 -3.293 -9.828 5.605 335 HB2 PRO 48 HB3 PRO 48 -2.510 -12.409 5.940 336 HB3 PRO 48 HB2 PRO 48 -3.798 -11.928 4.829 337 HG2 PRO 48 HG3 PRO 48 -0.927 -12.551 4.245 338 HG3 PRO 48 HG2 PRO 48 -2.379 -13.035 3.355 339 HD2 PRO 48 HD3 PRO 48 -0.805 -10.986 2.557 340 HD3 PRO 48 HD2 PRO 48 -2.559 -11.001 2.281 341 H GLY 49 H GLY 49 -2.641 -9.377 7.618 342 HA2 GLY 49 HA3 GLY 49 -1.304 -9.400 9.517 343 HA3 GLY 49 HA2 GLY 49 -0.134 -10.380 8.658 344 H ALA 50 H ALA 50 -0.923 -7.733 6.788 345 HA ALA 50 HA ALA 50 1.639 -6.494 7.344 346 HB1 ALA 50 HB1 ALA 50 1.029 -5.014 5.421 347 HB2 ALA 50 HB2 ALA 50 0.987 -5.000 5.432 348 HB3 ALA 50 HB3 ALA 50 -0.489 -5.941 5.287 349 H CYS 51 H CYS 51 1.888 -4.990 8.840 350 HA CYS 51 HA CYS 51 -0.439 -3.384 9.649 351 HB2 CYS 51 HB3 CYS 51 2.066 -4.266 11.004 352 HB3 CYS 51 HB2 CYS 51 1.358 -2.739 11.505 353 HG CYS 51 HG CYS 51 -0.138 -5.811 11.645 354 H GLY 52 H GLY 52 3.047 -2.980 8.988 355 HA2 GLY 52 HA3 GLY 52 2.440 -0.214 8.153 356 HA3 GLY 52 HA2 GLY 52 3.901 -0.641 8.986 357 H LEU 53 H LEU 53 3.096 0.452 6.196 358 HA LEU 53 HA LEU 53 4.879 -1.351 4.686 359 HB2 LEU 53 HB3 LEU 53 2.683 0.315 3.477 360 HB3 LEU 53 HB2 LEU 53 3.642 -0.935 2.697 361 HG LEU 53 HG LEU 53 1.416 -1.266 4.687 362 HD11 LEU 53 HD11 LEU 53 0.919 -2.997 2.718 363 HD12 LEU 53 HD12 LEU 53 1.841 -1.796 1.813 364 HD13 LEU 53 HD13 LEU 53 0.378 -1.315 2.679 365 HD21 LEU 53 HD21 LEU 53 2.620 -2.946 5.565 366 HD22 LEU 53 HD22 LEU 53 3.732 -2.999 4.198 367 HD23 LEU 53 HD23 LEU 53 2.164 -3.801 4.092 368 H ARG 54 H ARG 54 6.386 -0.416 3.312 369 HA ARG 54 HA ARG 54 6.750 2.495 3.663 370 HB2 ARG 54 HB3 ARG 54 8.813 0.311 3.379 371 HB3 ARG 54 HB2 ARG 54 9.194 2.010 3.303 372 HG2 ARG 54 HG3 ARG 54 8.163 2.228 5.601 373 HG3 ARG 54 HG2 ARG 54 8.150 0.461 5.650 374 HD2 ARG 54 HD3 ARG 54 10.705 0.954 4.865 375 HD3 ARG 54 HD2 ARG 54 10.389 2.354 5.892 376 HE ARG 54 HE ARG 54 9.629 -0.161 7.080 377 HH11 ARG 54 HH11 ARG 54 12.225 2.111 6.574 378 HH12 ARG 54 HH12 ARG 54 13.119 1.600 7.970 379 HH21 ARG 54 HH21 ARG 54 10.798 -0.841 8.916 380 HH22 ARG 54 HH22 ARG 54 12.307 -0.080 9.300 381 H TYR 55 H TYR 55 8.218 3.417 1.872 382 HA TYR 55 HA TYR 55 7.151 2.461 -0.701 383 HB2 TYR 55 HB3 TYR 55 7.930 5.161 0.322 384 HB3 TYR 55 HB2 TYR 55 7.981 4.853 -1.400 385 HD1 TYR 55 HD2 TYR 55 5.623 3.102 -1.743 386 HD2 TYR 55 HD1 TYR 55 6.121 6.612 0.605 387 HE1 TYR 55 HE2 TYR 55 3.209 3.538 -1.897 388 HE2 TYR 55 HE1 TYR 55 3.709 7.056 0.464 389 HH TYR 55 HH TYR 55 1.592 5.086 -1.550 390 H ARG 56 H ARG 56 8.477 1.608 -2.154 391 HA ARG 56 HA ARG 56 11.361 2.177 -1.938 392 HB2 ARG 56 HB3 ARG 56 11.300 0.010 -1.102 393 HB3 ARG 56 HB2 ARG 56 9.960 -0.460 -2.140 394 HG2 ARG 56 HG3 ARG 56 12.077 -1.538 -2.765 395 HG3 ARG 56 HG2 ARG 56 11.409 -0.545 -4.061 396 HD2 ARG 56 HD3 ARG 56 12.947 1.258 -3.498 397 HD3 ARG 56 HD2 ARG 56 13.586 0.309 -2.153 398 HE ARG 56 HE ARG 56 14.201 0.007 -4.961 399 HH11 ARG 56 HH11 ARG 56 14.182 -1.516 -1.819 400 HH12 ARG 56 HH12 ARG 56 15.412 -2.668 -2.226 401 HH21 ARG 56 HH21 ARG 56 15.823 -1.507 -5.499 402 HH22 ARG 56 HH22 ARG 56 16.345 -2.661 -4.317 403 H ASN 57 H ASN 57 11.795 3.385 -3.672 404 HA ASN 57 HA ASN 57 11.081 2.309 -6.304 405 HB2 ASN 57 HB3 ASN 57 9.825 4.563 -5.169 406 HB3 ASN 57 HB2 ASN 57 10.934 5.185 -6.372 407 HD21 ASN 57 HD21 ASN 57 8.872 5.856 -7.358 408 HD22 ASN 57 HD22 ASN 57 8.070 4.730 -8.407 409 HA PRO 58 HA PRO 58 15.251 3.247 -7.292 410 HB2 PRO 58 HB3 PRO 58 15.049 3.533 -9.986 411 HB3 PRO 58 HB2 PRO 58 14.948 1.971 -9.179 412 HG2 PRO 58 HG3 PRO 58 12.745 3.726 -10.180 413 HG3 PRO 58 HG2 PRO 58 12.921 1.965 -10.316 414 HD2 PRO 58 HD3 PRO 58 11.331 3.130 -8.457 415 HD3 PRO 58 HD2 PRO 58 12.166 1.608 -8.164 416 H VAL 59 H VAL 59 12.795 5.335 -8.790 417 HA VAL 59 HA VAL 59 14.693 7.512 -9.083 418 HB VAL 59 HB VAL 59 12.774 8.780 -9.995 419 HG11 VAL 59 HG11 VAL 59 14.041 7.592 -11.591 420 HG12 VAL 59 HG12 VAL 59 13.342 6.041 -11.111 421 HG13 VAL 59 HG13 VAL 59 12.353 7.234 -11.963 422 HG21 VAL 59 HG21 VAL 59 10.713 8.211 -9.386 423 HG22 VAL 59 HG22 VAL 59 10.860 6.768 -10.392 424 HG23 VAL 59 HG23 VAL 59 11.286 6.695 -8.682 425 H SER 60 H SER 60 12.343 6.431 -6.805 426 HA SER 60 HA SER 60 12.091 9.027 -5.519 427 HB2 SER 60 HB3 SER 60 11.040 6.362 -4.556 428 HB3 SER 60 HB2 SER 60 10.516 7.968 -4.042 429 HG SER 60 HG SER 60 9.046 7.539 -5.531 430 H GLN 61 H GLN 61 14.041 6.210 -5.301 431 HA GLN 61 HA GLN 61 15.770 5.624 -3.939 432 HB2 GLN 61 HB3 GLN 61 15.595 8.474 -2.941 433 HB3 GLN 61 HB2 GLN 61 16.963 7.386 -2.755 434 HG2 GLN 61 HG3 GLN 61 16.003 7.945 -5.507 435 HG3 GLN 61 HG2 GLN 61 16.868 9.222 -4.652 436 HE21 GLN 61 HE21 GLN 61 18.962 9.251 -4.990 437 HE22 GLN 61 HE22 GLN 61 19.957 7.884 -5.378 438 H CYS 62 H CYS 62 13.090 5.152 -3.065 439 HA CYS 62 HA CYS 62 11.794 4.875 -1.156 440 HB2 CYS 62 HB3 CYS 62 12.889 3.278 0.374 441 HB3 CYS 62 HB2 CYS 62 13.158 2.857 -1.314 442 HG CYS 62 HG CYS 62 15.722 2.827 -1.222 443 H MET 63 H MET 63 12.500 7.457 -1.052 444 HA MET 63 HA MET 63 13.766 7.987 1.526 445 HB2 MET 63 HB3 MET 63 14.226 9.347 -0.571 446 HB3 MET 63 HB2 MET 63 12.605 10.009 -0.392 447 HG2 MET 63 HG3 MET 63 13.826 11.614 0.664 448 HG3 MET 63 HG2 MET 63 13.435 10.568 2.027 449 HE1 MET 63 HE1 MET 63 16.284 9.717 3.646 450 HE2 MET 63 HE2 MET 63 16.245 11.477 3.520 451 HE3 MET 63 HE3 MET 63 14.735 10.562 3.597 452 H ARG 64 H ARG 64 10.647 7.594 0.194 453 HA ARG 64 HA ARG 64 9.430 8.854 2.569 454 HB2 ARG 64 HB3 ARG 64 8.890 9.398 -0.067 455 HB3 ARG 64 HB2 ARG 64 7.641 8.224 0.331 456 HG2 ARG 64 HG3 ARG 64 7.438 9.841 2.468 457 HG3 ARG 64 HG2 ARG 64 8.008 10.996 1.261 458 HD2 ARG 64 HD3 ARG 64 6.153 9.913 -0.230 459 HD3 ARG 64 HD2 ARG 64 5.485 9.393 1.318 460 HE ARG 64 HE ARG 64 4.802 11.540 1.693 461 HH11 ARG 64 HH11 ARG 64 7.275 11.558 -0.764 462 HH12 ARG 64 HH12 ARG 64 7.105 13.249 -1.109 463 HH21 ARG 64 HH21 ARG 64 4.570 13.766 1.247 464 HH22 ARG 64 HH22 ARG 64 5.566 14.504 0.036 465 H GLY 65 H GLY 65 7.006 7.783 2.692 466 HA2 GLY 65 HA3 GLY 65 6.991 4.935 2.304 467 HA3 GLY 65 HA2 GLY 65 7.281 5.378 3.981 468 H VAL 66 H VAL 66 5.095 3.893 3.412 469 HA VAL 66 HA VAL 66 2.788 5.627 3.065 470 HB VAL 66 HB VAL 66 2.944 2.673 3.707 471 HG11 VAL 66 HG11 VAL 66 0.574 2.615 3.096 472 HG12 VAL 66 HG12 VAL 66 0.856 3.657 4.493 473 HG13 VAL 66 HG13 VAL 66 0.581 4.370 2.902 474 HG21 VAL 66 HG21 VAL 66 2.729 2.224 1.451 475 HG22 VAL 66 HG22 VAL 66 2.061 3.820 1.092 476 HG23 VAL 66 HG23 VAL 66 3.782 3.641 1.433 477 H ARG 67 H ARG 67 1.295 6.167 4.620 478 HA ARG 67 HA ARG 67 2.215 5.863 7.393 479 HB2 ARG 67 HB3 ARG 67 1.868 8.144 6.814 480 HB3 ARG 67 HB2 ARG 67 0.311 7.790 6.061 481 HG2 ARG 67 HG3 ARG 67 -0.042 8.884 8.172 482 HG3 ARG 67 HG2 ARG 67 -0.596 7.211 8.279 483 HD2 ARG 67 HD3 ARG 67 1.915 6.868 9.124 484 HD3 ARG 67 HD2 ARG 67 1.696 8.552 9.603 485 HE ARG 67 HE ARG 67 0.436 6.228 10.767 486 HH11 ARG 67 HH11 ARG 67 0.274 9.683 10.317 487 HH12 ARG 67 HH12 ARG 67 -0.711 9.950 11.720 488 HH21 ARG 67 HH21 ARG 67 -0.857 6.569 12.612 489 HH22 ARG 67 HH22 ARG 67 -1.353 8.179 13.025 490 H LEU 68 H LEU 68 1.014 4.889 8.955 491 HA LEU 68 HA LEU 68 -1.510 3.633 8.081 492 HB2 LEU 68 HB3 LEU 68 0.213 1.976 8.433 493 HB3 LEU 68 HB2 LEU 68 0.576 2.642 10.022 494 HG LEU 68 HG LEU 68 -0.811 0.455 9.810 495 HD11 LEU 68 HD11 LEU 68 -1.599 0.805 11.937 496 HD12 LEU 68 HD12 LEU 68 -2.084 2.468 11.604 497 HD13 LEU 68 HD13 LEU 68 -0.378 2.075 11.822 498 HD21 LEU 68 HD21 LEU 68 -3.166 2.272 9.773 499 HD22 LEU 68 HD22 LEU 68 -3.032 0.579 9.297 500 HD23 LEU 68 HD23 LEU 68 -2.423 1.846 8.234 501 H VAL 69 H VAL 69 -3.230 4.507 9.005 502 HA VAL 69 HA VAL 69 -3.073 5.261 11.850 503 HB VAL 69 HB VAL 69 -2.911 7.343 10.635 504 HG11 VAL 69 HG11 VAL 69 -3.940 6.429 8.527 505 HG12 VAL 69 HG12 VAL 69 -5.518 6.687 9.276 506 HG13 VAL 69 HG13 VAL 69 -4.450 8.057 8.974 507 HG21 VAL 69 HG21 VAL 69 -4.673 6.853 12.609 508 HG22 VAL 69 HG22 VAL 69 -4.413 8.454 11.913 509 HG23 VAL 69 HG23 VAL 69 -5.769 7.467 11.368 510 H GLU 70 H GLU 70 -4.554 4.214 12.985 511 HA GLU 70 HA GLU 70 -6.435 3.062 13.557 512 HB2 GLU 70 HB3 GLU 70 -7.782 4.603 11.334 513 HB3 GLU 70 HB2 GLU 70 -8.549 3.870 12.736 514 HG2 GLU 70 HG3 GLU 70 -6.792 5.520 13.950 515 HG3 GLU 70 HG2 GLU 70 -7.124 6.426 12.473 516 H GLY 71 H GLY 71 -4.649 2.125 11.329 517 HA2 GLY 71 HA3 GLY 71 -4.678 -0.030 10.360 518 HA3 GLY 71 HA2 GLY 71 -6.434 -0.014 10.421 519 H ILE 72 H ILE 72 -6.408 2.758 9.231 520 HA ILE 72 HA ILE 72 -6.462 1.881 6.474 521 HB ILE 72 HB ILE 72 -7.001 4.641 7.579 522 HG12 ILE 72 HG13 ILE 72 -9.444 3.688 7.016 523 HG13 ILE 72 HG12 ILE 72 -8.659 2.172 7.419 524 HG21 ILE 72 HG21 ILE 72 -8.440 3.914 5.193 525 HG22 ILE 72 HG22 ILE 72 -7.369 5.287 5.489 526 HG23 ILE 72 HG23 ILE 72 -6.702 3.747 4.949 527 HD11 ILE 72 HD11 ILE 72 -7.942 4.007 9.423 528 HD12 ILE 72 HD12 ILE 72 -9.676 4.192 9.152 529 HD13 ILE 72 HD13 ILE 72 -9.009 2.608 9.554 530 H LEU 73 H LEU 73 -4.696 1.874 5.262 531 HA LEU 73 HA LEU 73 -2.360 3.389 5.948 532 HB2 LEU 73 HB3 LEU 73 -3.100 1.598 3.654 533 HB3 LEU 73 HB2 LEU 73 -1.601 2.499 3.652 534 HG LEU 73 HG LEU 73 -1.175 0.248 4.377 535 HD11 LEU 73 HD11 LEU 73 0.082 2.082 5.452 536 HD12 LEU 73 HD12 LEU 73 -0.084 0.666 6.490 537 HD13 LEU 73 HD13 LEU 73 -1.093 2.087 6.762 538 HD21 LEU 73 HD21 LEU 73 -3.576 -0.040 5.223 539 HD22 LEU 73 HD22 LEU 73 -2.990 0.657 6.732 540 HD23 LEU 73 HD23 LEU 73 -2.285 -0.840 6.123 541 H HIS 74 H HIS 74 -2.588 5.555 5.777 542 HA HIS 74 HA HIS 74 -3.973 6.784 3.577 543 HB2 HIS 74 HB3 HIS 74 -4.008 7.881 5.733 544 HB3 HIS 74 HB2 HIS 74 -2.257 7.937 5.781 545 HD1 HIS 74 HD1 HIS 74 -4.299 8.915 2.764 546 HD2 HIS 74 HD2 HIS 74 -2.008 10.683 5.752 547 HE1 HIS 74 HE1 HIS 74 -4.051 11.327 2.088 548 HE2 HIS 74 HE2 HIS 74 -2.649 12.407 3.921 549 H ALA 75 H ALA 75 -3.160 7.674 1.753 550 HA ALA 75 HA ALA 75 -0.424 7.002 1.056 551 HB1 ALA 75 HB1 ALA 75 -1.330 8.287 -1.129 552 HB2 ALA 75 HB2 ALA 75 -1.364 8.314 -1.111 553 HB3 ALA 75 HB3 ALA 75 -2.869 7.747 -0.399 554 HA PRO 76 HA PRO 76 1.435 10.936 1.616 555 HB2 PRO 76 HB3 PRO 76 3.074 11.110 -0.545 556 HB3 PRO 76 HB2 PRO 76 3.382 10.018 0.812 557 HG2 PRO 76 HG3 PRO 76 2.159 9.427 -1.855 558 HG3 PRO 76 HG2 PRO 76 3.351 8.496 -0.945 559 HD2 PRO 76 HD3 PRO 76 0.728 7.841 -0.978 560 HD3 PRO 76 HD2 PRO 76 1.759 7.552 0.433 561 H ASP 77 H ASP 77 2.186 12.921 0.089 562 HA ASP 77 HA ASP 77 -0.292 14.010 -0.912 563 HB2 ASP 77 HB3 ASP 77 1.334 15.364 0.393 564 HB3 ASP 77 HB2 ASP 77 2.482 15.225 -0.939 565 H ALA 78 H ALA 78 1.894 11.990 -2.263 566 HA ALA 78 HA ALA 78 1.672 13.178 -4.949 567 HB1 ALA 78 HB1 ALA 78 3.724 11.561 -3.596 568 HB2 ALA 78 HB2 ALA 78 3.731 11.605 -3.594 569 HB3 ALA 78 HB3 ALA 78 3.866 12.723 -4.948 570 H GLY 79 H GLY 79 0.932 10.340 -3.022 571 HA2 GLY 79 HA3 GLY 79 -1.223 9.284 -3.767 572 HA3 GLY 79 HA2 GLY 79 -0.481 9.202 -5.350 573 H TRP 80 H TRP 80 -1.049 6.890 -5.104 574 HA TRP 80 HA TRP 80 0.593 5.372 -3.247 575 HB2 TRP 80 HB3 TRP 80 -1.495 4.586 -5.282 576 HB3 TRP 80 HB2 TRP 80 -0.539 3.401 -4.415 577 HD1 TRP 80 HD1 TRP 80 -3.713 5.200 -4.175 578 HE1 TRP 80 HE1 TRP 80 -4.709 5.034 -1.803 579 HE3 TRP 80 HE3 TRP 80 0.405 3.461 -1.704 580 HZ2 TRP 80 HZ2 TRP 80 -3.848 4.256 0.770 581 HZ3 TRP 80 HZ3 TRP 80 0.236 3.027 0.710 582 HH2 TRP 80 HH2 TRP 80 -1.845 3.418 1.920 583 H GLY 81 H GLY 81 0.102 5.318 -6.790 584 HA2 GLY 81 HA3 GLY 81 1.781 5.277 -8.428 585 HA3 GLY 81 HA2 GLY 81 2.980 5.024 -7.167 586 H ASN 82 H ASN 82 3.806 3.434 -8.745 587 HA ASN 82 HA ASN 82 2.439 0.846 -8.384 588 HB2 ASN 82 HB3 ASN 82 4.092 1.251 -10.825 589 HB3 ASN 82 HB2 ASN 82 2.641 0.276 -10.594 590 HD21 ASN 82 HD21 ASN 82 0.755 1.912 -9.790 591 HD22 ASN 82 HD22 ASN 82 0.485 3.201 -10.922 592 H LEU 83 H LEU 83 4.462 1.937 -6.719 593 HA LEU 83 HA LEU 83 6.923 0.549 -7.470 594 HB2 LEU 83 HB3 LEU 83 8.003 1.796 -5.875 595 HB3 LEU 83 HB2 LEU 83 6.721 2.897 -6.378 596 HG LEU 83 HG LEU 83 6.818 1.250 -3.851 597 HD11 LEU 83 HD11 LEU 83 6.475 4.180 -3.830 598 HD12 LEU 83 HD12 LEU 83 8.061 3.581 -4.318 599 HD13 LEU 83 HD13 LEU 83 7.393 3.129 -2.751 600 HD21 LEU 83 HD21 LEU 83 4.690 2.235 -3.275 601 HD22 LEU 83 HD22 LEU 83 4.539 1.360 -4.794 602 HD23 LEU 83 HD23 LEU 83 4.650 3.120 -4.803 603 H VAL 84 H VAL 84 7.988 -0.317 -5.181 604 HA VAL 84 HA VAL 84 6.173 -2.502 -4.413 605 HB VAL 84 HB VAL 84 9.165 -2.310 -4.010 606 HG11 VAL 84 HG11 VAL 84 7.409 -4.751 -3.881 607 HG12 VAL 84 HG12 VAL 84 9.098 -4.600 -3.397 608 HG13 VAL 84 HG13 VAL 84 7.837 -3.797 -2.461 609 HG21 VAL 84 HG21 VAL 84 9.309 -2.701 -6.202 610 HG22 VAL 84 HG22 VAL 84 8.655 -4.304 -5.860 611 HG23 VAL 84 HG23 VAL 84 7.574 -2.995 -6.344 612 H TYR 85 H TYR 85 5.560 -2.854 -2.343 613 HA TYR 85 HA TYR 85 6.328 -0.806 -0.381 614 HB2 TYR 85 HB3 TYR 85 4.265 -1.078 0.615 615 HB3 TYR 85 HB2 TYR 85 3.864 -1.409 -1.042 616 HD1 TYR 85 HD1 TYR 85 3.479 -3.740 -1.796 617 HD2 TYR 85 HD2 TYR 85 4.133 -2.795 2.295 618 HE1 TYR 85 HE1 TYR 85 2.579 -5.935 -1.151 619 HE2 TYR 85 HE2 TYR 85 3.232 -4.983 2.954 620 HH TYR 85 HH TYR 85 2.413 -7.427 0.564 621 H VAL 86 H VAL 86 7.230 -1.301 1.564 622 HA VAL 86 HA VAL 86 8.247 -4.034 1.849 623 HB VAL 86 HB VAL 86 9.042 -1.606 3.453 624 HG11 VAL 86 HG11 VAL 86 9.500 -4.102 4.148 625 HG12 VAL 86 HG12 VAL 86 10.792 -3.967 2.954 626 HG13 VAL 86 HG13 VAL 86 10.743 -2.864 4.333 627 HG21 VAL 86 HG21 VAL 86 11.133 -2.035 1.794 628 HG22 VAL 86 HG22 VAL 86 9.788 -2.455 0.730 629 HG23 VAL 86 HG23 VAL 86 9.852 -0.860 1.484 630 H VAL 87 H VAL 87 7.119 -5.386 3.076 631 HA VAL 87 HA VAL 87 5.061 -4.627 4.833 632 HB VAL 87 HB VAL 87 5.174 -6.962 5.679 633 HG11 VAL 87 HG11 VAL 87 4.863 -8.015 3.338 634 HG12 VAL 87 HG12 VAL 87 3.767 -6.725 3.844 635 HG13 VAL 87 HG13 VAL 87 5.104 -6.369 2.745 636 HG21 VAL 87 HG21 VAL 87 6.973 -8.255 5.434 637 HG22 VAL 87 HG22 VAL 87 7.075 -7.905 3.706 638 HG23 VAL 87 HG23 VAL 87 7.829 -6.818 4.873 639 H ASN 88 H ASN 88 4.924 -4.582 7.088 640 HA ASN 88 HA ASN 88 7.405 -4.779 8.624 641 HB2 ASN 88 HB3 ASN 88 7.019 -2.370 7.791 642 HB3 ASN 88 HB2 ASN 88 5.673 -2.330 8.924 643 HD21 ASN 88 HD21 ASN 88 6.098 -1.618 10.876 644 HD22 ASN 88 HD22 ASN 88 7.664 -1.587 11.633 645 H TYR 89 H TYR 89 6.649 -6.481 9.805 646 HA TYR 89 HA TYR 89 4.847 -5.885 11.947 647 HB2 TYR 89 HB3 TYR 89 3.124 -7.525 11.437 648 HB3 TYR 89 HB2 TYR 89 3.219 -6.339 10.139 649 HD1 TYR 89 HD2 TYR 89 4.275 -6.964 7.975 650 HD2 TYR 89 HD1 TYR 89 3.570 -9.832 11.038 651 HE1 TYR 89 HE2 TYR 89 4.548 -8.777 6.335 652 HE2 TYR 89 HE1 TYR 89 3.845 -11.650 9.406 653 HH TYR 89 HH TYR 89 3.531 -11.495 6.406 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -30.631 4.671 25.688 2 H2 MET 1 H2 MET 1 -31.395 3.232 25.977 3 H3 MET 1 H3 MET 1 -29.934 3.550 26.685 4 HA MET 1 HA MET 1 -28.978 2.510 25.080 5 HB2 MET 1 HB3 MET 1 -31.635 2.718 23.648 6 HB3 MET 1 HB2 MET 1 -30.255 1.796 23.059 7 HG2 MET 1 HG3 MET 1 -31.433 1.280 25.765 8 HG3 MET 1 HG2 MET 1 -32.113 0.555 24.310 9 HE1 MET 1 HE1 MET 1 -28.158 -0.187 26.364 10 HE2 MET 1 HE2 MET 1 -29.413 1.008 26.705 11 HE3 MET 1 HE3 MET 1 -29.653 -0.680 27.163 12 H ALA 2 H ALA 2 -27.916 2.900 23.033 13 HA ALA 2 HA ALA 2 -28.439 5.462 21.739 14 HB1 ALA 2 HB1 ALA 2 -25.643 5.455 22.123 15 HB2 ALA 2 HB2 ALA 2 -25.640 5.412 22.151 16 HB3 ALA 2 HB3 ALA 2 -26.404 5.163 23.717 17 H GLY 3 H GLY 3 -27.397 5.696 19.698 18 HA2 GLY 3 HA3 GLY 3 -26.073 3.264 18.678 19 HA3 GLY 3 HA2 GLY 3 -27.469 3.913 17.828 20 H SER 4 H SER 4 -25.909 3.984 16.024 21 HA SER 4 HA SER 4 -24.494 6.565 16.041 22 HB2 SER 4 HB3 SER 4 -22.645 5.561 14.743 23 HB3 SER 4 HB2 SER 4 -22.794 4.832 16.343 24 HG SER 4 HG SER 4 -23.854 3.747 13.937 25 H HIS 5 H HIS 5 -23.880 7.205 13.733 26 HA HIS 5 HA HIS 5 -25.537 6.135 11.627 27 HB2 HIS 5 HB3 HIS 5 -26.829 8.144 11.208 28 HB3 HIS 5 HB2 HIS 5 -27.129 7.593 12.854 29 HD1 HIS 5 HD1 HIS 5 -25.330 10.300 10.941 30 HD2 HIS 5 HD2 HIS 5 -26.452 9.385 14.842 31 HE1 HIS 5 HE1 HIS 5 -24.873 12.381 12.284 32 HE2 HIS 5 HE2 HIS 5 -25.562 11.816 14.672 33 H HIS 6 H HIS 6 -25.114 7.146 9.551 34 HA HIS 6 HA HIS 6 -22.973 9.072 9.346 35 HB2 HIS 6 HB3 HIS 6 -21.378 7.666 8.210 36 HB3 HIS 6 HB2 HIS 6 -21.767 6.918 9.757 37 HD1 HIS 6 HD1 HIS 6 -20.646 5.385 7.230 38 HD2 HIS 6 HD2 HIS 6 -24.627 5.537 8.429 39 HE1 HIS 6 HE1 HIS 6 -21.733 3.340 6.237 40 HE2 HIS 6 HE2 HIS 6 -24.170 3.438 6.975 41 H HIS 7 H HIS 7 -22.473 9.596 7.065 42 HA HIS 7 HA HIS 7 -24.686 8.890 5.246 43 HB2 HIS 7 HB3 HIS 7 -24.751 11.204 4.443 44 HB3 HIS 7 HB2 HIS 7 -25.086 11.134 6.173 45 HD1 HIS 7 HD1 HIS 7 -22.833 11.631 7.708 46 HD2 HIS 7 HD2 HIS 7 -22.879 13.043 3.794 47 HE1 HIS 7 HE1 HIS 7 -21.070 13.427 7.614 48 HE2 HIS 7 HE2 HIS 7 -21.101 14.289 5.215 49 H HIS 8 H HIS 8 -24.103 9.762 2.937 50 HA HIS 8 HA HIS 8 -21.242 9.375 2.391 51 HB2 HIS 8 HB3 HIS 8 -22.525 7.197 2.138 52 HB3 HIS 8 HB2 HIS 8 -23.382 7.955 0.798 53 HD1 HIS 8 HD1 HIS 8 -19.739 8.642 1.238 54 HD2 HIS 8 HD2 HIS 8 -22.203 6.168 -1.024 55 HE1 HIS 8 HE1 HIS 8 -18.264 7.678 -0.560 56 HE2 HIS 8 HE2 HIS 8 -19.777 6.161 -1.942 57 H HIS 9 H HIS 9 -20.461 10.740 0.906 58 HA HIS 9 HA HIS 9 -22.205 11.887 -1.119 59 HB2 HIS 9 HB3 HIS 9 -22.296 13.318 1.035 60 HB3 HIS 9 HB2 HIS 9 -20.647 13.788 0.623 61 HD1 HIS 9 HD1 HIS 9 -21.428 13.781 -2.560 62 HD2 HIS 9 HD2 HIS 9 -23.189 15.941 0.529 63 HE1 HIS 9 HE1 HIS 9 -22.518 15.767 -3.659 64 HE2 HIS 9 HE2 HIS 9 -23.596 17.086 -1.764 65 H HIS 10 H HIS 10 -21.116 11.720 -2.951 66 HA HIS 10 HA HIS 10 -18.272 11.336 -2.997 67 HB2 HIS 10 HB3 HIS 10 -20.439 11.464 -5.064 68 HB3 HIS 10 HB2 HIS 10 -18.754 11.568 -5.572 69 HD1 HIS 10 HD1 HIS 10 -20.305 9.195 -6.545 70 HD2 HIS 10 HD2 HIS 10 -18.251 9.202 -2.926 71 HE1 HIS 10 HE1 HIS 10 -19.870 6.773 -6.006 72 HE2 HIS 10 HE2 HIS 10 -18.611 6.782 -3.791 73 H GLY 11 H GLY 11 -16.868 12.619 -4.514 74 HA2 GLY 11 HA3 GLY 11 -17.596 15.365 -5.009 75 HA3 GLY 11 HA2 GLY 11 -16.479 15.185 -3.661 76 H SER 12 H SER 12 -14.791 13.233 -4.466 77 HA SER 12 HA SER 12 -13.596 14.369 -6.918 78 HB2 SER 12 HB3 SER 12 -12.354 13.424 -4.346 79 HB3 SER 12 HB2 SER 12 -11.415 13.434 -5.841 80 HG SER 12 HG SER 12 -12.850 15.732 -5.087 81 H MET 13 H MET 13 -11.864 12.730 -7.805 82 HA MET 13 HA MET 13 -13.354 10.321 -8.446 83 HB2 MET 13 HB3 MET 13 -12.292 11.497 -10.269 84 HB3 MET 13 HB2 MET 13 -10.726 11.415 -9.467 85 HG2 MET 13 HG3 MET 13 -10.493 9.136 -9.884 86 HG3 MET 13 HG2 MET 13 -12.216 8.925 -10.202 87 HE1 MET 13 HE1 MET 13 -9.944 7.766 -11.572 88 HE2 MET 13 HE2 MET 13 -10.908 7.620 -13.044 89 HE3 MET 13 HE3 MET 13 -9.359 8.467 -13.083 90 H SER 14 H SER 14 -13.011 8.363 -7.619 91 HA SER 14 HA SER 14 -11.335 7.953 -5.401 92 HB2 SER 14 HB3 SER 14 -13.353 6.599 -5.879 93 HB3 SER 14 HB2 SER 14 -12.520 5.863 -7.250 94 HG SER 14 HG SER 14 -11.334 4.688 -5.925 95 H GLU 15 H GLU 15 -9.294 7.229 -5.158 96 HA GLU 15 HA GLU 15 -7.745 6.797 -7.627 97 HB2 GLU 15 HB3 GLU 15 -7.203 8.569 -5.736 98 HB3 GLU 15 HB2 GLU 15 -6.453 7.179 -4.958 99 HG2 GLU 15 HG3 GLU 15 -5.019 6.842 -6.889 100 HG3 GLU 15 HG2 GLU 15 -5.800 8.188 -7.722 101 H TYR 16 H TYR 16 -6.339 5.048 -7.837 102 HA TYR 16 HA TYR 16 -7.012 2.763 -6.111 103 HB2 TYR 16 HB3 TYR 16 -6.185 1.360 -7.944 104 HB3 TYR 16 HB2 TYR 16 -7.434 2.461 -8.510 105 HD1 TYR 16 HD1 TYR 16 -3.770 1.893 -8.443 106 HD2 TYR 16 HD2 TYR 16 -6.997 4.013 -10.239 107 HE1 TYR 16 HE1 TYR 16 -2.255 2.703 -10.201 108 HE2 TYR 16 HE2 TYR 16 -5.487 4.827 -12.002 109 HH TYR 16 HH TYR 16 -3.314 5.047 -12.609 110 H ILE 17 H ILE 17 -5.283 1.217 -5.606 111 HA ILE 17 HA ILE 17 -2.674 2.567 -5.284 112 HB ILE 17 HB ILE 17 -3.606 2.448 -3.108 113 HG12 ILE 17 HG13 ILE 17 -1.785 0.061 -3.456 114 HG13 ILE 17 HG12 ILE 17 -1.251 1.714 -3.287 115 HG21 ILE 17 HG21 ILE 17 -4.081 -0.249 -2.558 116 HG22 ILE 17 HG22 ILE 17 -5.274 1.037 -2.717 117 HG23 ILE 17 HG23 ILE 17 -4.843 0.055 -4.115 118 HD11 ILE 17 HD11 ILE 17 -0.983 0.687 -1.181 119 HD12 ILE 17 HD12 ILE 17 -2.389 1.746 -1.051 120 HD13 ILE 17 HD13 ILE 17 -2.608 0.005 -1.231 121 H ARG 18 H ARG 18 -1.037 1.586 -6.255 122 HA ARG 18 HA ARG 18 -1.249 -1.316 -6.769 123 HB2 ARG 18 HB3 ARG 18 -0.160 0.876 -8.534 124 HB3 ARG 18 HB2 ARG 18 0.206 -0.817 -8.795 125 HG2 ARG 18 HG3 ARG 18 -2.409 -1.059 -8.735 126 HG3 ARG 18 HG2 ARG 18 -2.345 0.648 -9.170 127 HD2 ARG 18 HD3 ARG 18 -2.465 -0.677 -11.177 128 HD3 ARG 18 HD2 ARG 18 -0.870 0.071 -11.068 129 HE ARG 18 HE ARG 18 -0.454 -2.341 -9.946 130 HH11 ARG 18 HH11 ARG 18 -1.954 -1.356 -12.935 131 HH12 ARG 18 HH12 ARG 18 -1.512 -2.802 -13.785 132 HH21 ARG 18 HH21 ARG 18 0.133 -4.248 -11.055 133 HH22 ARG 18 HH22 ARG 18 -0.325 -4.445 -12.716 134 H VAL 19 H VAL 19 0.052 -2.209 -5.283 135 HA VAL 19 HA VAL 19 2.877 -1.458 -5.325 136 HB VAL 19 HB VAL 19 2.986 -1.607 -2.830 137 HG11 VAL 19 HG11 VAL 19 2.899 0.631 -2.719 138 HG12 VAL 19 HG12 VAL 19 2.492 0.541 -4.437 139 HG13 VAL 19 HG13 VAL 19 1.211 0.687 -3.236 140 HG21 VAL 19 HG21 VAL 19 0.249 -2.309 -3.156 141 HG22 VAL 19 HG22 VAL 19 1.198 -2.239 -1.671 142 HG23 VAL 19 HG23 VAL 19 0.328 -0.808 -2.231 143 H THR 20 H THR 20 4.294 -3.106 -4.700 144 HA THR 20 HA THR 20 3.038 -5.766 -4.398 145 HB THR 20 HB THR 20 3.952 -5.996 -6.494 146 HG1 THR 20 HG1 THR 20 5.090 -7.616 -5.696 147 HG21 THR 20 HG21 THR 20 4.908 -3.946 -6.990 148 HG22 THR 20 HG22 THR 20 6.322 -5.003 -6.963 149 HG23 THR 20 HG23 THR 20 5.959 -3.977 -5.576 150 H GLU 21 H GLU 21 4.133 -7.307 -3.118 151 HA GLU 21 HA GLU 21 5.556 -6.141 -0.896 152 HB2 GLU 21 HB3 GLU 21 3.819 -8.068 -0.866 153 HB3 GLU 21 HB2 GLU 21 5.159 -9.087 -1.321 154 HG2 GLU 21 HG3 GLU 21 5.853 -7.394 0.904 155 HG3 GLU 21 HG2 GLU 21 4.411 -8.334 1.247 156 H ASP 22 H ASP 22 6.293 -8.598 -3.366 157 HA ASP 22 HA ASP 22 9.137 -8.379 -2.661 158 HB2 ASP 22 HB3 ASP 22 7.532 -10.474 -4.104 159 HB3 ASP 22 HB2 ASP 22 9.289 -10.419 -4.238 160 H GLU 23 H GLU 23 10.664 -7.703 -4.101 161 HA GLU 23 HA GLU 23 9.848 -6.007 -6.214 162 HB2 GLU 23 HB3 GLU 23 12.216 -5.747 -6.689 163 HB3 GLU 23 HB2 GLU 23 11.943 -5.694 -4.953 164 HG2 GLU 23 HG3 GLU 23 13.779 -7.045 -5.050 165 HG3 GLU 23 HG2 GLU 23 12.489 -8.248 -5.084 166 H ASN 24 H ASN 24 10.890 -9.352 -6.093 167 HA ASN 24 HA ASN 24 11.270 -9.652 -8.907 168 HB2 ASN 24 HB3 ASN 24 11.642 -11.927 -8.469 169 HB3 ASN 24 HB2 ASN 24 12.177 -11.132 -6.991 170 HD21 ASN 24 HD21 ASN 24 9.786 -13.165 -8.456 171 HD22 ASN 24 HD22 ASN 24 9.013 -13.667 -6.984 172 H ASP 25 H ASP 25 8.530 -9.777 -6.785 173 HA ASP 25 HA ASP 25 6.822 -11.199 -8.616 174 HB2 ASP 25 HB3 ASP 25 6.709 -10.726 -5.938 175 HB3 ASP 25 HB2 ASP 25 5.565 -9.524 -6.532 176 H GLU 26 H GLU 26 4.484 -9.828 -8.674 177 HA GLU 26 HA GLU 26 5.183 -7.436 -10.260 178 HB2 GLU 26 HB3 GLU 26 3.484 -7.924 -11.760 179 HB3 GLU 26 HB2 GLU 26 4.081 -9.526 -11.349 180 HG2 GLU 26 HG3 GLU 26 1.631 -8.183 -10.224 181 HG3 GLU 26 HG2 GLU 26 1.666 -9.504 -11.393 182 HA PRO 27 HA PRO 27 2.806 -4.876 -7.600 183 HB2 PRO 27 HB3 PRO 27 1.815 -3.067 -9.350 184 HB3 PRO 27 HB2 PRO 27 3.505 -3.097 -8.877 185 HG2 PRO 27 HG3 PRO 27 2.215 -4.196 -11.348 186 HG3 PRO 27 HG2 PRO 27 3.737 -3.300 -11.187 187 HD2 PRO 27 HD3 PRO 27 3.656 -5.989 -11.454 188 HD3 PRO 27 HD2 PRO 27 4.912 -5.162 -10.510 189 H ILE 28 H ILE 28 0.915 -5.267 -6.653 190 HA ILE 28 HA ILE 28 -1.314 -6.264 -8.283 191 HB ILE 28 HB ILE 28 -0.807 -7.691 -6.431 192 HG12 ILE 28 HG13 ILE 28 -2.929 -7.682 -5.216 193 HG13 ILE 28 HG12 ILE 28 -3.232 -6.021 -5.716 194 HG21 ILE 28 HG21 ILE 28 -0.988 -5.205 -4.733 195 HG22 ILE 28 HG22 ILE 28 -0.915 -6.844 -4.087 196 HG23 ILE 28 HG23 ILE 28 0.438 -6.206 -5.021 197 HD11 ILE 28 HD11 ILE 28 -4.154 -8.262 -6.974 198 HD12 ILE 28 HD12 ILE 28 -4.033 -6.657 -7.696 199 HD13 ILE 28 HD13 ILE 28 -2.745 -7.838 -7.946 200 H GLU 29 H GLU 29 -3.115 -5.122 -8.628 201 HA GLU 29 HA GLU 29 -3.297 -2.462 -7.400 202 HB2 GLU 29 HB3 GLU 29 -4.885 -1.943 -9.193 203 HB3 GLU 29 HB2 GLU 29 -3.364 -2.552 -9.843 204 HG2 GLU 29 HG3 GLU 29 -4.449 -4.808 -10.016 205 HG3 GLU 29 HG2 GLU 29 -5.977 -4.021 -9.614 206 H ILE 30 H ILE 30 -4.680 -2.081 -5.812 207 HA ILE 30 HA ILE 30 -7.069 -3.802 -5.580 208 HB ILE 30 HB ILE 30 -6.745 -3.204 -3.018 209 HG12 ILE 30 HG13 ILE 30 -3.865 -3.582 -3.705 210 HG13 ILE 30 HG12 ILE 30 -4.538 -1.977 -3.851 211 HG21 ILE 30 HG21 ILE 30 -5.809 -5.427 -4.707 212 HG22 ILE 30 HG22 ILE 30 -5.124 -5.363 -3.081 213 HG23 ILE 30 HG23 ILE 30 -6.874 -5.436 -3.298 214 HD11 ILE 30 HD11 ILE 30 -4.360 -3.676 -1.389 215 HD12 ILE 30 HD12 ILE 30 -3.587 -2.120 -1.703 216 HD13 ILE 30 HD13 ILE 30 -5.337 -2.208 -1.478 217 HA PRO 31 HA PRO 31 -9.502 -0.166 -5.251 218 HB2 PRO 31 HB3 PRO 31 -11.373 -0.890 -3.418 219 HB3 PRO 31 HB2 PRO 31 -11.340 -1.534 -5.067 220 HG2 PRO 31 HG3 PRO 31 -10.331 -2.768 -2.529 221 HG3 PRO 31 HG2 PRO 31 -11.244 -3.518 -3.854 222 HD2 PRO 31 HD3 PRO 31 -8.565 -3.797 -3.590 223 HD3 PRO 31 HD2 PRO 31 -9.370 -3.765 -5.174 224 H SER 32 H SER 32 -9.899 1.677 -4.006 225 HA SER 32 HA SER 32 -8.957 1.686 -1.231 226 HB2 SER 32 HB3 SER 32 -7.021 2.669 -1.805 227 HB3 SER 32 HB2 SER 32 -7.544 2.876 -3.476 228 HG SER 32 HG SER 32 -7.640 4.911 -2.972 229 H GLU 33 H GLU 33 -9.512 3.731 -0.105 230 HA GLU 33 HA GLU 33 -12.238 4.394 -0.572 231 HB2 GLU 33 HB3 GLU 33 -10.140 5.161 1.379 232 HB3 GLU 33 HB2 GLU 33 -11.455 6.308 1.161 233 HG2 GLU 33 HG3 GLU 33 -12.038 3.417 1.648 234 HG3 GLU 33 HG2 GLU 33 -11.635 4.489 2.989 235 H ASP 34 H ASP 34 -13.066 6.610 -0.835 236 HA ASP 34 HA ASP 34 -11.992 7.820 -3.165 237 HB2 ASP 34 HB3 ASP 34 -14.363 7.933 -2.758 238 HB3 ASP 34 HB2 ASP 34 -14.110 8.749 -1.216 239 H ASP 35 H ASP 35 -11.545 8.371 0.233 240 HA ASP 35 HA ASP 35 -10.560 11.025 0.092 241 HB2 ASP 35 HB3 ASP 35 -11.203 9.326 2.126 242 HB3 ASP 35 HB2 ASP 35 -9.441 9.293 2.201 243 H GLY 36 H GLY 36 -9.213 8.010 -0.801 244 HA2 GLY 36 HA3 GLY 36 -7.240 8.053 -2.207 245 HA3 GLY 36 HA2 GLY 36 -6.601 9.330 -1.195 246 H THR 37 H THR 37 -7.828 7.543 1.088 247 HA THR 37 HA THR 37 -5.312 6.212 1.644 248 HB THR 37 HB THR 37 -6.224 5.723 3.826 249 HG1 THR 37 HG1 THR 37 -8.466 6.485 4.219 250 HG21 THR 37 HG21 THR 37 -6.185 8.386 2.703 251 HG22 THR 37 HG22 THR 37 -5.654 7.830 4.291 252 HG23 THR 37 HG23 THR 37 -7.339 8.277 4.031 253 H VAL 38 H VAL 38 -5.919 3.987 3.012 254 HA VAL 38 HA VAL 38 -7.550 2.302 1.237 255 HB VAL 38 HB VAL 38 -4.679 1.788 2.003 256 HG11 VAL 38 HG11 VAL 38 -5.745 -0.271 2.451 257 HG12 VAL 38 HG12 VAL 38 -6.771 -0.136 1.016 258 HG13 VAL 38 HG13 VAL 38 -5.038 -0.430 0.842 259 HG21 VAL 38 HG21 VAL 38 -5.756 1.397 -0.731 260 HG22 VAL 38 HG22 VAL 38 -5.581 3.055 -0.158 261 HG23 VAL 38 HG23 VAL 38 -4.178 1.989 -0.205 262 H LEU 39 H LEU 39 -8.992 1.255 2.421 263 HA LEU 39 HA LEU 39 -8.993 1.178 5.224 264 HB2 LEU 39 HB3 LEU 39 -10.833 0.695 3.341 265 HB3 LEU 39 HB2 LEU 39 -10.420 -0.968 3.759 266 HG LEU 39 HG LEU 39 -10.938 -0.359 6.161 267 HD11 LEU 39 HD11 LEU 39 -10.800 2.147 5.598 268 HD12 LEU 39 HD12 LEU 39 -12.077 1.602 6.688 269 HD13 LEU 39 HD13 LEU 39 -12.450 1.956 4.999 270 HD21 LEU 39 HD21 LEU 39 -13.494 -0.241 5.595 271 HD22 LEU 39 HD22 LEU 39 -12.556 -1.686 5.208 272 HD23 LEU 39 HD23 LEU 39 -12.931 -0.513 3.943 273 H LEU 40 H LEU 40 -8.445 -0.360 6.723 274 HA LEU 40 HA LEU 40 -6.228 -1.991 6.207 275 HB2 LEU 40 HB3 LEU 40 -6.910 -1.137 8.431 276 HB3 LEU 40 HB2 LEU 40 -8.245 -2.286 8.432 277 HG LEU 40 HG LEU 40 -6.723 -4.145 8.546 278 HD11 LEU 40 HD11 LEU 40 -4.573 -2.061 8.223 279 HD12 LEU 40 HD12 LEU 40 -4.928 -3.426 7.162 280 HD13 LEU 40 HD13 LEU 40 -4.263 -3.711 8.771 281 HD21 LEU 40 HD21 LEU 40 -5.460 -2.359 10.540 282 HD22 LEU 40 HD22 LEU 40 -6.233 -3.933 10.749 283 HD23 LEU 40 HD23 LEU 40 -7.220 -2.478 10.580 284 H SER 41 H SER 41 -9.578 -2.550 5.692 285 HA SER 41 HA SER 41 -9.572 -5.389 5.822 286 HB2 SER 41 HB3 SER 41 -11.573 -3.706 5.777 287 HB3 SER 41 HB2 SER 41 -11.429 -3.857 4.023 288 HG SER 41 HG SER 41 -12.890 -5.375 5.169 289 H THR 42 H THR 42 -8.852 -3.066 3.291 290 HA THR 42 HA THR 42 -8.699 -5.070 1.215 291 HB THR 42 HB THR 42 -7.614 -2.254 1.086 292 HG1 THR 42 HG1 THR 42 -10.264 -3.221 0.661 293 HG21 THR 42 HG21 THR 42 -8.663 -4.116 -1.053 294 HG22 THR 42 HG22 THR 42 -6.960 -3.780 -0.734 295 HG23 THR 42 HG23 THR 42 -8.021 -2.493 -1.305 296 H VAL 43 H VAL 43 -6.502 -3.482 3.423 297 HA VAL 43 HA VAL 43 -4.071 -4.124 2.111 298 HB VAL 43 HB VAL 43 -4.735 -3.517 4.990 299 HG11 VAL 43 HG11 VAL 43 -2.118 -3.244 5.069 300 HG12 VAL 43 HG12 VAL 43 -2.879 -4.806 5.385 301 HG13 VAL 43 HG13 VAL 43 -2.174 -4.469 3.800 302 HG21 VAL 43 HG21 VAL 43 -2.915 -1.680 3.968 303 HG22 VAL 43 HG22 VAL 43 -4.028 -1.986 2.636 304 HG23 VAL 43 HG23 VAL 43 -4.651 -1.438 4.193 305 H THR 44 H THR 44 -6.110 -5.887 4.373 306 HA THR 44 HA THR 44 -4.192 -8.029 4.705 307 HB THR 44 HB THR 44 -5.864 -9.119 6.061 308 HG1 THR 44 HG1 THR 44 -7.640 -7.160 4.990 309 HG21 THR 44 HG21 THR 44 -6.607 -6.580 7.129 310 HG22 THR 44 HG22 THR 44 -4.951 -6.472 6.526 311 HG23 THR 44 HG23 THR 44 -5.381 -7.706 7.713 312 H ALA 45 H ALA 45 -6.526 -7.185 2.391 313 HA ALA 45 HA ALA 45 -7.422 -9.751 1.589 314 HB1 ALA 45 HB1 ALA 45 -7.187 -7.222 -0.056 315 HB2 ALA 45 HB2 ALA 45 -7.200 -7.205 -0.015 316 HB3 ALA 45 HB3 ALA 45 -8.587 -7.711 0.941 317 H GLN 46 H GLN 46 -4.731 -7.704 0.504 318 HA GLN 46 HA GLN 46 -3.703 -10.004 -1.034 319 HB2 GLN 46 HB3 GLN 46 -3.542 -7.045 -1.466 320 HB3 GLN 46 HB2 GLN 46 -2.262 -8.075 -2.084 321 HG2 GLN 46 HG3 GLN 46 -4.172 -7.486 -3.658 322 HG3 GLN 46 HG2 GLN 46 -3.695 -9.186 -3.552 323 HE21 GLN 46 HE21 GLN 46 -5.228 -10.629 -3.178 324 HE22 GLN 46 HE22 GLN 46 -6.830 -10.280 -2.608 325 H PHE 47 H PHE 47 -3.101 -7.807 1.553 326 HA PHE 47 HA PHE 47 -0.432 -9.021 1.927 327 HB2 PHE 47 HB3 PHE 47 -1.074 -6.275 2.945 328 HB3 PHE 47 HB2 PHE 47 0.481 -6.990 2.622 329 HD1 PHE 47 HD1 PHE 47 0.281 -7.966 -0.083 330 HD2 PHE 47 HD2 PHE 47 -1.298 -4.399 1.627 331 HE1 PHE 47 HE1 PHE 47 0.314 -6.897 -2.294 332 HE2 PHE 47 HE2 PHE 47 -1.270 -3.322 -0.586 333 HZ PHE 47 HZ PHE 47 -0.472 -4.569 -2.552 334 HA PRO 48 HA PRO 48 -3.142 -9.981 5.569 335 HB2 PRO 48 HB3 PRO 48 -2.368 -12.578 5.749 336 HB3 PRO 48 HB2 PRO 48 -3.685 -12.036 4.704 337 HG2 PRO 48 HG3 PRO 48 -0.837 -12.643 4.001 338 HG3 PRO 48 HG2 PRO 48 -2.320 -13.073 3.133 339 HD2 PRO 48 HD3 PRO 48 -0.755 -10.994 2.392 340 HD3 PRO 48 HD2 PRO 48 -2.517 -10.986 2.169 341 H GLY 49 H GLY 49 -2.413 -9.591 7.567 342 HA2 GLY 49 HA3 GLY 49 -1.022 -9.733 9.423 343 HA3 GLY 49 HA2 GLY 49 0.114 -10.673 8.483 344 H ALA 50 H ALA 50 -0.709 -7.942 6.762 345 HA ALA 50 HA ALA 50 1.870 -6.734 7.320 346 HB1 ALA 50 HB1 ALA 50 1.253 -5.190 5.462 347 HB2 ALA 50 HB2 ALA 50 1.208 -5.174 5.476 348 HB3 ALA 50 HB3 ALA 50 -0.289 -6.082 5.323 349 H CYS 51 H CYS 51 2.115 -5.346 8.927 350 HA CYS 51 HA CYS 51 -0.181 -3.835 9.915 351 HB2 CYS 51 HB3 CYS 51 1.657 -5.088 11.322 352 HB3 CYS 51 HB2 CYS 51 2.564 -3.603 11.084 353 HG CYS 51 HG CYS 51 -0.375 -4.021 12.769 354 H GLY 52 H GLY 52 3.166 -3.162 8.868 355 HA2 GLY 52 HA3 GLY 52 2.244 -0.478 8.064 356 HA3 GLY 52 HA2 GLY 52 3.769 -0.708 8.866 357 H LEU 53 H LEU 53 2.798 0.231 6.085 358 HA LEU 53 HA LEU 53 4.607 -1.501 4.517 359 HB2 LEU 53 HB3 LEU 53 2.376 0.230 3.460 360 HB3 LEU 53 HB2 LEU 53 3.354 -0.914 2.548 361 HG LEU 53 HG LEU 53 1.395 -2.086 2.804 362 HD11 LEU 53 HD11 LEU 53 2.459 -2.988 5.425 363 HD12 LEU 53 HD12 LEU 53 3.519 -3.109 4.021 364 HD13 LEU 53 HD13 LEU 53 1.958 -3.924 4.016 365 HD21 LEU 53 HD21 LEU 53 1.106 -1.228 5.675 366 HD22 LEU 53 HD22 LEU 53 -0.104 -1.967 4.626 367 HD23 LEU 53 HD23 LEU 53 0.430 -0.311 4.329 368 H ARG 54 H ARG 54 6.278 -0.599 3.441 369 HA ARG 54 HA ARG 54 6.656 2.303 3.798 370 HB2 ARG 54 HB3 ARG 54 8.468 -0.026 3.863 371 HB3 ARG 54 HB2 ARG 54 9.105 1.386 3.054 372 HG2 ARG 54 HG3 ARG 54 8.884 2.719 5.010 373 HG3 ARG 54 HG2 ARG 54 7.930 1.473 5.822 374 HD2 ARG 54 HD3 ARG 54 10.241 1.531 6.639 375 HD3 ARG 54 HD2 ARG 54 9.855 -0.008 5.865 376 HE ARG 54 HE ARG 54 11.021 1.781 3.997 377 HH11 ARG 54 HH11 ARG 54 11.805 -0.261 6.713 378 HH12 ARG 54 HH12 ARG 54 13.442 -0.529 6.204 379 HH21 ARG 54 HH21 ARG 54 13.170 1.433 3.321 380 HH22 ARG 54 HH22 ARG 54 14.218 0.436 4.275 381 H TYR 55 H TYR 55 8.101 3.292 2.042 382 HA TYR 55 HA TYR 55 7.038 2.437 -0.572 383 HB2 TYR 55 HB3 TYR 55 7.743 5.106 0.575 384 HB3 TYR 55 HB2 TYR 55 7.815 4.876 -1.160 385 HD1 TYR 55 HD1 TYR 55 5.547 3.242 -1.800 386 HD2 TYR 55 HD2 TYR 55 5.856 6.336 1.102 387 HE1 TYR 55 HE1 TYR 55 3.120 3.623 -1.954 388 HE2 TYR 55 HE2 TYR 55 3.434 6.724 0.957 389 HH TYR 55 HH TYR 55 1.539 5.630 -1.497 390 H ARG 56 H ARG 56 8.391 1.676 -2.053 391 HA ARG 56 HA ARG 56 11.257 2.317 -1.810 392 HB2 ARG 56 HB3 ARG 56 11.043 0.081 -0.990 393 HB3 ARG 56 HB2 ARG 56 9.991 -0.373 -2.325 394 HG2 ARG 56 HG3 ARG 56 12.220 -1.292 -2.613 395 HG3 ARG 56 HG2 ARG 56 11.844 -0.129 -3.889 396 HD2 ARG 56 HD3 ARG 56 13.117 1.589 -2.697 397 HD3 ARG 56 HD2 ARG 56 13.490 0.424 -1.421 398 HE ARG 56 HE ARG 56 14.301 -0.428 -4.052 399 HH11 ARG 56 HH11 ARG 56 15.201 1.401 -1.220 400 HH12 ARG 56 HH12 ARG 56 16.905 1.262 -1.512 401 HH21 ARG 56 HH21 ARG 56 16.542 -0.618 -4.440 402 HH22 ARG 56 HH22 ARG 56 17.666 0.115 -3.344 403 H ASN 57 H ASN 57 12.030 3.247 -3.578 404 HA ASN 57 HA ASN 57 10.961 2.464 -6.195 405 HB2 ASN 57 HB3 ASN 57 10.547 5.014 -4.910 406 HB3 ASN 57 HB2 ASN 57 11.459 5.220 -6.392 407 HD21 ASN 57 HD21 ASN 57 10.525 3.648 -8.189 408 HD22 ASN 57 HD22 ASN 57 8.816 3.815 -8.428 409 HA PRO 58 HA PRO 58 15.369 2.257 -6.838 410 HB2 PRO 58 HB3 PRO 58 15.220 1.321 -9.386 411 HB3 PRO 58 HB2 PRO 58 14.959 0.301 -7.972 412 HG2 PRO 58 HG3 PRO 58 12.948 1.600 -9.764 413 HG3 PRO 58 HG2 PRO 58 12.951 -0.043 -9.093 414 HD2 PRO 58 HD3 PRO 58 11.465 1.956 -8.033 415 HD3 PRO 58 HD2 PRO 58 12.148 0.662 -7.047 416 H VAL 59 H VAL 59 13.048 3.894 -8.904 417 HA VAL 59 HA VAL 59 15.115 5.373 -10.308 418 HB VAL 59 HB VAL 59 13.224 6.515 -11.435 419 HG11 VAL 59 HG11 VAL 59 12.899 4.802 -12.894 420 HG12 VAL 59 HG12 VAL 59 14.203 4.085 -11.939 421 HG13 VAL 59 HG13 VAL 59 12.525 3.638 -11.620 422 HG21 VAL 59 HG21 VAL 59 10.945 5.797 -11.047 423 HG22 VAL 59 HG22 VAL 59 11.482 4.658 -9.804 424 HG23 VAL 59 HG23 VAL 59 11.640 6.399 -9.541 425 H SER 60 H SER 60 12.908 5.818 -7.647 426 HA SER 60 HA SER 60 13.370 8.682 -7.518 427 HB2 SER 60 HB3 SER 60 11.941 6.960 -5.488 428 HB3 SER 60 HB2 SER 60 11.799 8.704 -5.712 429 HG SER 60 HG SER 60 10.064 7.881 -6.746 430 H GLN 61 H GLN 61 14.523 5.756 -6.023 431 HA GLN 61 HA GLN 61 16.199 5.341 -4.539 432 HB2 GLN 61 HB3 GLN 61 17.101 8.174 -5.072 433 HB3 GLN 61 HB2 GLN 61 18.082 6.834 -4.492 434 HG2 GLN 61 HG3 GLN 61 17.891 5.709 -6.610 435 HG3 GLN 61 HG2 GLN 61 16.767 6.935 -7.199 436 HE21 GLN 61 HE21 GLN 61 19.691 5.923 -7.735 437 HE22 GLN 61 HE22 GLN 61 20.542 7.410 -8.016 438 H CYS 62 H CYS 62 13.655 6.662 -3.694 439 HA CYS 62 HA CYS 62 14.540 8.105 -1.297 440 HB2 CYS 62 HB3 CYS 62 12.555 8.743 -2.974 441 HB3 CYS 62 HB2 CYS 62 11.649 7.698 -1.884 442 HG CYS 62 HG CYS 62 13.533 10.238 -0.621 443 H MET 63 H MET 63 13.227 7.622 0.729 444 HA MET 63 HA MET 63 12.730 4.724 0.974 445 HB2 MET 63 HB3 MET 63 14.193 6.450 2.985 446 HB3 MET 63 HB2 MET 63 13.810 4.742 3.174 447 HG2 MET 63 HG3 MET 63 15.245 4.199 1.282 448 HG3 MET 63 HG2 MET 63 15.614 5.909 1.065 449 HE1 MET 63 HE1 MET 63 18.851 6.053 2.727 450 HE2 MET 63 HE2 MET 63 17.903 6.149 1.240 451 HE3 MET 63 HE3 MET 63 17.525 7.213 2.597 452 H ARG 64 H ARG 64 10.867 6.918 0.600 453 HA ARG 64 HA ARG 64 9.664 7.802 2.954 454 HB2 ARG 64 HB3 ARG 64 9.179 8.169 0.309 455 HB3 ARG 64 HB2 ARG 64 7.836 7.117 0.735 456 HG2 ARG 64 HG3 ARG 64 7.672 8.882 2.750 457 HG3 ARG 64 HG2 ARG 64 8.375 9.913 1.500 458 HD2 ARG 64 HD3 ARG 64 6.547 9.161 -0.036 459 HD3 ARG 64 HD2 ARG 64 5.814 8.323 1.331 460 HE ARG 64 HE ARG 64 5.029 10.329 2.094 461 HH11 ARG 64 HH11 ARG 64 7.581 10.909 -0.210 462 HH12 ARG 64 HH12 ARG 64 7.338 12.627 -0.243 463 HH21 ARG 64 HH21 ARG 64 4.701 12.586 2.057 464 HH22 ARG 64 HH22 ARG 64 5.701 13.579 1.047 465 H GLY 65 H GLY 65 7.207 7.104 3.369 466 HA2 GLY 65 HA3 GLY 65 6.884 4.209 3.333 467 HA3 GLY 65 HA2 GLY 65 7.093 4.929 4.924 468 H VAL 66 H VAL 66 4.792 3.506 3.706 469 HA VAL 66 HA VAL 66 2.738 5.434 3.202 470 HB VAL 66 HB VAL 66 2.447 2.532 4.007 471 HG11 VAL 66 HG11 VAL 66 0.408 3.868 4.304 472 HG12 VAL 66 HG12 VAL 66 0.510 4.383 2.618 473 HG13 VAL 66 HG13 VAL 66 0.240 2.681 3.009 474 HG21 VAL 66 HG21 VAL 66 3.045 1.931 1.945 475 HG22 VAL 66 HG22 VAL 66 1.967 3.127 1.223 476 HG23 VAL 66 HG23 VAL 66 3.601 3.586 1.694 477 H ARG 67 H ARG 67 1.328 6.385 4.561 478 HA ARG 67 HA ARG 67 1.885 6.302 7.384 479 HB2 ARG 67 HB3 ARG 67 1.309 8.431 6.537 480 HB3 ARG 67 HB2 ARG 67 -0.098 7.803 5.682 481 HG2 ARG 67 HG3 ARG 67 -0.805 9.070 7.603 482 HG3 ARG 67 HG2 ARG 67 -1.190 7.365 7.842 483 HD2 ARG 67 HD3 ARG 67 1.244 7.428 8.969 484 HD3 ARG 67 HD2 ARG 67 0.754 9.099 9.251 485 HE ARG 67 HE ARG 67 -1.220 7.130 10.010 486 HH11 ARG 67 HH11 ARG 67 1.552 8.990 11.021 487 HH12 ARG 67 HH12 ARG 67 1.172 8.879 12.709 488 HH21 ARG 67 HH21 ARG 67 -1.725 6.979 12.227 489 HH22 ARG 67 HH22 ARG 67 -0.691 7.736 13.394 490 H LEU 68 H LEU 68 0.706 5.400 9.005 491 HA LEU 68 HA LEU 68 -1.587 3.726 8.187 492 HB2 LEU 68 HB3 LEU 68 0.402 2.445 8.877 493 HB3 LEU 68 HB2 LEU 68 0.366 3.261 10.441 494 HG LEU 68 HG LEU 68 -0.559 0.878 10.296 495 HD11 LEU 68 HD11 LEU 68 -0.955 2.773 12.068 496 HD12 LEU 68 HD12 LEU 68 -1.893 1.280 12.119 497 HD13 LEU 68 HD13 LEU 68 -2.599 2.740 11.424 498 HD21 LEU 68 HD21 LEU 68 -2.968 2.329 9.201 499 HD22 LEU 68 HD22 LEU 68 -2.807 0.603 9.534 500 HD23 LEU 68 HD23 LEU 68 -1.884 1.338 8.225 501 H VAL 69 H VAL 69 -3.392 4.752 8.771 502 HA VAL 69 HA VAL 69 -3.488 5.959 11.469 503 HB VAL 69 HB VAL 69 -4.848 6.757 8.909 504 HG11 VAL 69 HG11 VAL 69 -6.717 6.867 10.234 505 HG12 VAL 69 HG12 VAL 69 -5.784 7.151 11.711 506 HG13 VAL 69 HG13 VAL 69 -6.012 8.455 10.545 507 HG21 VAL 69 HG21 VAL 69 -2.799 7.877 9.232 508 HG22 VAL 69 HG22 VAL 69 -4.044 9.023 9.729 509 HG23 VAL 69 HG23 VAL 69 -3.121 8.141 10.949 510 H GLU 70 H GLU 70 -4.402 4.500 12.778 511 HA GLU 70 HA GLU 70 -5.854 2.940 13.602 512 HB2 GLU 70 HB3 GLU 70 -8.052 4.123 11.954 513 HB3 GLU 70 HB2 GLU 70 -8.068 3.605 13.635 514 HG2 GLU 70 HG3 GLU 70 -6.316 5.644 13.788 515 HG3 GLU 70 HG2 GLU 70 -7.325 6.196 12.452 516 H GLY 71 H GLY 71 -4.434 2.060 11.350 517 HA2 GLY 71 HA3 GLY 71 -4.533 -0.013 10.242 518 HA3 GLY 71 HA2 GLY 71 -6.283 0.001 10.409 519 H ILE 72 H ILE 72 -6.355 2.814 9.362 520 HA ILE 72 HA ILE 72 -6.620 2.095 6.584 521 HB ILE 72 HB ILE 72 -6.950 4.789 7.918 522 HG12 ILE 72 HG13 ILE 72 -9.414 3.664 7.059 523 HG13 ILE 72 HG12 ILE 72 -8.569 2.420 7.962 524 HG21 ILE 72 HG21 ILE 72 -7.174 3.868 5.131 525 HG22 ILE 72 HG22 ILE 72 -8.513 4.860 5.712 526 HG23 ILE 72 HG23 ILE 72 -6.861 5.481 5.777 527 HD11 ILE 72 HD11 ILE 72 -10.157 4.182 9.126 528 HD12 ILE 72 HD12 ILE 72 -8.713 3.553 9.923 529 HD13 ILE 72 HD13 ILE 72 -8.672 5.137 9.143 530 H LEU 73 H LEU 73 -4.886 1.965 5.322 531 HA LEU 73 HA LEU 73 -2.469 3.409 5.848 532 HB2 LEU 73 HB3 LEU 73 -3.408 1.626 3.625 533 HB3 LEU 73 HB2 LEU 73 -1.880 2.482 3.514 534 HG LEU 73 HG LEU 73 -1.493 0.218 4.235 535 HD11 LEU 73 HD11 LEU 73 -0.251 0.628 6.279 536 HD12 LEU 73 HD12 LEU 73 -1.158 2.115 6.555 537 HD13 LEU 73 HD13 LEU 73 -0.072 1.992 5.173 538 HD21 LEU 73 HD21 LEU 73 -3.851 0.092 5.291 539 HD22 LEU 73 HD22 LEU 73 -3.056 0.696 6.742 540 HD23 LEU 73 HD23 LEU 73 -2.535 -0.829 6.022 541 H HIS 74 H HIS 74 -2.550 5.568 5.637 542 HA HIS 74 HA HIS 74 -4.011 6.811 3.466 543 HB2 HIS 74 HB3 HIS 74 -4.055 7.916 5.612 544 HB3 HIS 74 HB2 HIS 74 -2.302 7.955 5.679 545 HD1 HIS 74 HD1 HIS 74 -4.330 8.956 2.654 546 HD2 HIS 74 HD2 HIS 74 -1.997 10.689 5.630 547 HE1 HIS 74 HE1 HIS 74 -4.042 11.363 1.973 548 HE2 HIS 74 HE2 HIS 74 -2.613 12.421 3.800 549 H ALA 75 H ALA 75 -3.190 7.684 1.640 550 HA ALA 75 HA ALA 75 -0.459 6.993 0.947 551 HB1 ALA 75 HB1 ALA 75 -1.580 8.478 -1.150 552 HB2 ALA 75 HB2 ALA 75 -1.618 8.492 -1.128 553 HB3 ALA 75 HB3 ALA 75 -2.898 7.479 -0.474 554 HA PRO 76 HA PRO 76 1.450 10.903 1.519 555 HB2 PRO 76 HB3 PRO 76 3.075 11.077 -0.652 556 HB3 PRO 76 HB2 PRO 76 3.381 9.970 0.693 557 HG2 PRO 76 HG3 PRO 76 2.137 9.415 -1.965 558 HG3 PRO 76 HG2 PRO 76 3.320 8.462 -1.076 559 HD2 PRO 76 HD3 PRO 76 0.687 7.840 -1.097 560 HD3 PRO 76 HD2 PRO 76 1.726 7.526 0.303 561 H ASP 77 H ASP 77 2.233 12.876 -0.033 562 HA ASP 77 HA ASP 77 -0.241 14.026 -0.972 563 HB2 ASP 77 HB3 ASP 77 2.542 14.996 -0.514 564 HB3 ASP 77 HB2 ASP 77 1.530 15.909 -1.632 565 H ALA 78 H ALA 78 1.868 11.953 -2.377 566 HA ALA 78 HA ALA 78 1.570 13.128 -5.060 567 HB1 ALA 78 HB1 ALA 78 3.592 12.326 -5.606 568 HB2 ALA 78 HB2 ALA 78 3.573 12.288 -5.623 569 HB3 ALA 78 HB3 ALA 78 3.275 10.760 -4.801 570 H GLY 79 H GLY 79 0.831 10.348 -3.071 571 HA2 GLY 79 HA3 GLY 79 -1.313 9.257 -3.711 572 HA3 GLY 79 HA2 GLY 79 -0.674 9.205 -5.340 573 H TRP 80 H TRP 80 -1.228 6.885 -5.083 574 HA TRP 80 HA TRP 80 0.550 5.348 -3.371 575 HB2 TRP 80 HB3 TRP 80 -1.615 4.512 -5.315 576 HB3 TRP 80 HB2 TRP 80 -0.662 3.386 -4.366 577 HD1 TRP 80 HD1 TRP 80 -3.791 5.328 -4.233 578 HE1 TRP 80 HE1 TRP 80 -4.801 5.286 -1.861 579 HE3 TRP 80 HE3 TRP 80 0.229 3.469 -1.690 580 HZ2 TRP 80 HZ2 TRP 80 -3.986 4.549 0.738 581 HZ3 TRP 80 HZ3 TRP 80 0.032 3.122 0.735 582 HH2 TRP 80 HH2 TRP 80 -2.030 3.653 1.924 583 H GLY 81 H GLY 81 -0.197 5.351 -6.870 584 HA2 GLY 81 HA3 GLY 81 1.284 5.232 -8.659 585 HA3 GLY 81 HA2 GLY 81 2.619 5.179 -7.515 586 H ASN 82 H ASN 82 3.380 3.566 -9.145 587 HA ASN 82 HA ASN 82 2.247 0.903 -8.553 588 HB2 ASN 82 HB3 ASN 82 2.148 1.853 -10.973 589 HB3 ASN 82 HB2 ASN 82 3.872 1.489 -11.014 590 HD21 ASN 82 HD21 ASN 82 0.919 0.334 -11.782 591 HD22 ASN 82 HD22 ASN 82 1.254 -1.369 -11.774 592 H LEU 83 H LEU 83 4.138 2.148 -6.881 593 HA LEU 83 HA LEU 83 6.737 1.010 -7.534 594 HB2 LEU 83 HB3 LEU 83 7.311 1.956 -5.234 595 HB3 LEU 83 HB2 LEU 83 6.926 3.094 -6.522 596 HG LEU 83 HG LEU 83 4.665 3.362 -5.578 597 HD11 LEU 83 HD11 LEU 83 4.270 2.496 -3.275 598 HD12 LEU 83 HD12 LEU 83 5.719 1.506 -3.449 599 HD13 LEU 83 HD13 LEU 83 4.337 1.247 -4.514 600 HD21 LEU 83 HD21 LEU 83 6.844 3.834 -3.547 601 HD22 LEU 83 HD22 LEU 83 5.309 4.697 -3.676 602 HD23 LEU 83 HD23 LEU 83 6.525 4.864 -4.944 603 H VAL 84 H VAL 84 7.796 0.107 -5.282 604 HA VAL 84 HA VAL 84 6.113 -2.223 -4.618 605 HB VAL 84 HB VAL 84 9.112 -1.961 -4.338 606 HG11 VAL 84 HG11 VAL 84 7.439 -4.464 -4.315 607 HG12 VAL 84 HG12 VAL 84 9.138 -4.283 -3.875 608 HG13 VAL 84 HG13 VAL 84 7.882 -3.591 -2.848 609 HG21 VAL 84 HG21 VAL 84 7.435 -2.561 -6.643 610 HG22 VAL 84 HG22 VAL 84 9.155 -2.173 -6.564 611 HG23 VAL 84 HG23 VAL 84 8.610 -3.832 -6.300 612 H TYR 85 H TYR 85 5.557 -2.655 -2.560 613 HA TYR 85 HA TYR 85 6.411 -0.725 -0.515 614 HB2 TYR 85 HB3 TYR 85 4.386 -1.047 0.538 615 HB3 TYR 85 HB2 TYR 85 3.921 -1.311 -1.117 616 HD1 TYR 85 HD1 TYR 85 3.528 -3.618 -1.947 617 HD2 TYR 85 HD2 TYR 85 4.319 -2.821 2.155 618 HE1 TYR 85 HE1 TYR 85 2.666 -5.844 -1.355 619 HE2 TYR 85 HE2 TYR 85 3.457 -5.042 2.759 620 HH TYR 85 HH TYR 85 2.542 -6.926 2.028 621 H VAL 86 H VAL 86 7.209 -1.369 1.479 622 HA VAL 86 HA VAL 86 8.258 -4.121 1.544 623 HB VAL 86 HB VAL 86 9.224 -1.683 3.045 624 HG11 VAL 86 HG11 VAL 86 9.601 -4.437 3.570 625 HG12 VAL 86 HG12 VAL 86 11.122 -3.814 2.930 626 HG13 VAL 86 HG13 VAL 86 10.384 -3.057 4.344 627 HG21 VAL 86 HG21 VAL 86 11.269 -2.497 1.427 628 HG22 VAL 86 HG22 VAL 86 9.858 -2.798 0.409 629 HG23 VAL 86 HG23 VAL 86 10.147 -1.184 1.062 630 H VAL 87 H VAL 87 7.100 -5.462 2.760 631 HA VAL 87 HA VAL 87 5.155 -4.768 4.616 632 HB VAL 87 HB VAL 87 5.531 -7.108 5.554 633 HG11 VAL 87 HG11 VAL 87 5.013 -6.633 2.627 634 HG12 VAL 87 HG12 VAL 87 4.752 -8.192 3.416 635 HG13 VAL 87 HG13 VAL 87 3.830 -6.776 3.930 636 HG21 VAL 87 HG21 VAL 87 7.156 -8.489 4.743 637 HG22 VAL 87 HG22 VAL 87 7.245 -7.658 3.187 638 HG23 VAL 87 HG23 VAL 87 8.005 -6.949 4.613 639 H ASN 88 H ASN 88 5.079 -4.549 6.831 640 HA ASN 88 HA ASN 88 7.576 -4.715 8.345 641 HB2 ASN 88 HB3 ASN 88 7.065 -2.319 7.355 642 HB3 ASN 88 HB2 ASN 88 5.932 -2.237 8.699 643 HD21 ASN 88 HD21 ASN 88 6.714 -1.304 10.427 644 HD22 ASN 88 HD22 ASN 88 8.375 -1.326 10.943 645 H TYR 89 H TYR 89 6.972 -6.173 9.822 646 HA TYR 89 HA TYR 89 4.293 -6.154 10.938 647 HB2 TYR 89 HB3 TYR 89 6.597 -7.903 11.800 648 HB3 TYR 89 HB2 TYR 89 4.872 -8.213 11.982 649 HD1 TYR 89 HD2 TYR 89 3.536 -8.294 9.685 650 HD2 TYR 89 HD1 TYR 89 7.720 -8.971 10.089 651 HE1 TYR 89 HE2 TYR 89 3.533 -9.540 7.566 652 HE2 TYR 89 HE1 TYR 89 7.729 -10.217 7.969 653 HH TYR 89 HH TYR 89 6.483 -11.091 6.339 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -43.857 -1.435 -23.968 2 H2 MET 1 H2 MET 1 -42.945 -1.863 -25.280 3 H3 MET 1 H3 MET 1 -42.544 -2.422 -23.776 4 HA MET 1 HA MET 1 -41.082 -0.707 -24.449 5 HB2 MET 1 HB3 MET 1 -43.371 0.381 -25.559 6 HB3 MET 1 HB2 MET 1 -43.063 1.427 -24.177 7 HG2 MET 1 HG3 MET 1 -40.607 0.950 -25.549 8 HG3 MET 1 HG2 MET 1 -41.832 1.463 -26.710 9 HE1 MET 1 HE1 MET 1 -39.628 4.673 -25.836 10 HE2 MET 1 HE2 MET 1 -39.080 2.994 -25.858 11 HE3 MET 1 HE3 MET 1 -40.136 3.595 -27.139 12 H ALA 2 H ALA 2 -40.081 0.484 -22.834 13 HA ALA 2 HA ALA 2 -41.480 1.270 -20.448 14 HB1 ALA 2 HB1 ALA 2 -41.237 -1.198 -20.134 15 HB2 ALA 2 HB2 ALA 2 -39.472 -0.975 -20.174 16 HB3 ALA 2 HB3 ALA 2 -40.418 -0.217 -18.891 17 H GLY 3 H GLY 3 -40.491 3.011 -19.659 18 HA2 GLY 3 HA3 GLY 3 -37.667 3.238 -19.379 19 HA3 GLY 3 HA2 GLY 3 -38.216 4.144 -20.785 20 H SER 4 H SER 4 -39.077 3.675 -17.355 21 HA SER 4 HA SER 4 -38.956 6.521 -16.887 22 HB2 SER 4 HB3 SER 4 -41.347 6.581 -16.012 23 HB3 SER 4 HB2 SER 4 -41.169 6.529 -17.767 24 HG SER 4 HG SER 4 -42.314 4.716 -16.072 25 H HIS 5 H HIS 5 -40.168 3.421 -15.630 26 HA HIS 5 HA HIS 5 -39.801 4.138 -12.891 27 HB2 HIS 5 HB3 HIS 5 -40.433 1.623 -14.376 28 HB3 HIS 5 HB2 HIS 5 -39.887 1.492 -12.706 29 HD1 HIS 5 HD1 HIS 5 -42.551 3.407 -14.651 30 HD2 HIS 5 HD2 HIS 5 -41.914 1.664 -10.926 31 HE1 HIS 5 HE1 HIS 5 -44.724 3.660 -13.403 32 HE2 HIS 5 HE2 HIS 5 -44.330 2.590 -11.124 33 H HIS 6 H HIS 6 -38.203 3.505 -11.441 34 HA HIS 6 HA HIS 6 -36.059 3.154 -10.745 35 HB2 HIS 6 HB3 HIS 6 -36.783 0.927 -12.375 36 HB3 HIS 6 HB2 HIS 6 -35.094 1.306 -12.698 37 HD1 HIS 6 HD1 HIS 6 -37.396 0.341 -9.865 38 HD2 HIS 6 HD2 HIS 6 -33.330 0.592 -10.712 39 HE1 HIS 6 HE1 HIS 6 -36.229 -0.770 -7.929 40 HE2 HIS 6 HE2 HIS 6 -33.739 -0.617 -8.454 41 H HIS 7 H HIS 7 -35.161 5.138 -11.192 42 HA HIS 7 HA HIS 7 -34.370 6.062 -13.722 43 HB2 HIS 7 HB3 HIS 7 -33.886 6.831 -10.915 44 HB3 HIS 7 HB2 HIS 7 -32.624 7.324 -12.042 45 HD1 HIS 7 HD1 HIS 7 -36.004 8.175 -10.892 46 HD2 HIS 7 HD2 HIS 7 -33.573 9.060 -14.151 47 HE1 HIS 7 HE1 HIS 7 -37.049 10.187 -11.993 48 HE2 HIS 7 HE2 HIS 7 -35.556 10.725 -13.987 49 H HIS 8 H HIS 8 -32.350 6.162 -14.742 50 HA HIS 8 HA HIS 8 -30.411 4.131 -13.823 51 HB2 HIS 8 HB3 HIS 8 -31.512 4.728 -16.535 52 HB3 HIS 8 HB2 HIS 8 -29.843 4.171 -16.412 53 HD1 HIS 8 HD1 HIS 8 -29.471 1.711 -16.076 54 HD2 HIS 8 HD2 HIS 8 -33.442 2.827 -15.525 55 HE1 HIS 8 HE1 HIS 8 -30.756 -0.443 -15.856 56 HE2 HIS 8 HE2 HIS 8 -33.188 0.243 -15.516 57 H HIS 9 H HIS 9 -28.655 5.091 -13.054 58 HA HIS 9 HA HIS 9 -27.294 7.087 -14.670 59 HB2 HIS 9 HB3 HIS 9 -27.169 8.780 -12.986 60 HB3 HIS 9 HB2 HIS 9 -28.873 8.354 -13.159 61 HD1 HIS 9 HD1 HIS 9 -25.991 8.112 -10.777 62 HD2 HIS 9 HD2 HIS 9 -30.039 7.159 -10.921 63 HE1 HIS 9 HE1 HIS 9 -26.641 7.549 -8.408 64 HE2 HIS 9 HE2 HIS 9 -29.119 6.969 -8.502 65 H HIS 10 H HIS 10 -25.093 7.433 -14.029 66 HA HIS 10 HA HIS 10 -24.056 5.416 -12.140 67 HB2 HIS 10 HB3 HIS 10 -22.168 4.997 -13.646 68 HB3 HIS 10 HB2 HIS 10 -23.697 4.619 -14.436 69 HD1 HIS 10 HD1 HIS 10 -20.758 6.888 -14.623 70 HD2 HIS 10 HD2 HIS 10 -24.417 6.375 -16.540 71 HE1 HIS 10 HE1 HIS 10 -20.630 8.283 -16.717 72 HE2 HIS 10 HE2 HIS 10 -22.872 7.968 -17.886 73 H GLY 11 H GLY 11 -22.344 6.030 -10.870 74 HA2 GLY 11 HA3 GLY 11 -20.779 8.364 -11.358 75 HA3 GLY 11 HA2 GLY 11 -22.046 8.700 -10.183 76 H SER 12 H SER 12 -18.908 7.657 -10.584 77 HA SER 12 HA SER 12 -18.479 7.261 -7.822 78 HB2 SER 12 HB3 SER 12 -17.980 4.881 -7.749 79 HB3 SER 12 HB2 SER 12 -19.642 5.110 -8.295 80 HG SER 12 HG SER 12 -17.363 4.420 -9.826 81 H MET 13 H MET 13 -16.482 7.969 -7.527 82 HA MET 13 HA MET 13 -14.383 7.174 -9.417 83 HB2 MET 13 HB3 MET 13 -13.494 9.501 -9.418 84 HB3 MET 13 HB2 MET 13 -15.053 9.343 -10.222 85 HG2 MET 13 HG3 MET 13 -16.033 10.044 -7.932 86 HG3 MET 13 HG2 MET 13 -14.399 10.621 -7.601 87 HE1 MET 13 HE1 MET 13 -16.509 13.385 -7.730 88 HE2 MET 13 HE2 MET 13 -15.026 12.682 -7.079 89 HE3 MET 13 HE3 MET 13 -14.938 13.994 -8.259 90 H SER 14 H SER 14 -12.303 7.097 -8.549 91 HA SER 14 HA SER 14 -11.582 8.064 -6.001 92 HB2 SER 14 HB3 SER 14 -11.805 6.247 -4.566 93 HB3 SER 14 HB2 SER 14 -13.284 6.124 -5.519 94 HG SER 14 HG SER 14 -12.351 4.110 -5.479 95 H GLU 15 H GLU 15 -9.445 7.332 -5.320 96 HA GLU 15 HA GLU 15 -7.795 6.739 -7.635 97 HB2 GLU 15 HB3 GLU 15 -7.280 7.640 -4.823 98 HB3 GLU 15 HB2 GLU 15 -5.961 6.959 -5.769 99 HG2 GLU 15 HG3 GLU 15 -7.427 8.950 -7.269 100 HG3 GLU 15 HG2 GLU 15 -6.813 9.596 -5.747 101 H TYR 16 H TYR 16 -6.138 5.094 -7.615 102 HA TYR 16 HA TYR 16 -6.938 2.724 -6.044 103 HB2 TYR 16 HB3 TYR 16 -6.100 1.355 -7.909 104 HB3 TYR 16 HB2 TYR 16 -7.387 2.434 -8.431 105 HD1 TYR 16 HD2 TYR 16 -3.751 1.820 -8.549 106 HD2 TYR 16 HD1 TYR 16 -6.984 4.153 -10.047 107 HE1 TYR 16 HE2 TYR 16 -2.293 2.695 -10.325 108 HE2 TYR 16 HE1 TYR 16 -5.532 5.031 -11.828 109 HH TYR 16 HH TYR 16 -2.727 3.681 -12.747 110 H ILE 17 H ILE 17 -5.168 1.144 -5.665 111 HA ILE 17 HA ILE 17 -2.558 2.491 -5.359 112 HB ILE 17 HB ILE 17 -3.533 2.417 -3.168 113 HG12 ILE 17 HG13 ILE 17 -1.532 0.180 -3.502 114 HG13 ILE 17 HG12 ILE 17 -1.143 1.870 -3.315 115 HG21 ILE 17 HG21 ILE 17 -4.711 0.018 -4.097 116 HG22 ILE 17 HG22 ILE 17 -3.775 -0.367 -2.658 117 HG23 ILE 17 HG23 ILE 17 -5.020 0.878 -2.595 118 HD11 ILE 17 HD11 ILE 17 -2.398 0.061 -1.274 119 HD12 ILE 17 HD12 ILE 17 -0.794 0.795 -1.225 120 HD13 ILE 17 HD13 ILE 17 -2.232 1.806 -1.080 121 H ARG 18 H ARG 18 -0.994 1.475 -6.407 122 HA ARG 18 HA ARG 18 -1.253 -1.438 -6.832 123 HB2 ARG 18 HB3 ARG 18 -0.135 0.700 -8.644 124 HB3 ARG 18 HB2 ARG 18 0.179 -1.008 -8.885 125 HG2 ARG 18 HG3 ARG 18 -2.424 -1.200 -8.802 126 HG3 ARG 18 HG2 ARG 18 -2.350 0.511 -9.221 127 HD2 ARG 18 HD3 ARG 18 -2.493 -0.660 -11.268 128 HD3 ARG 18 HD2 ARG 18 -0.808 -0.146 -11.111 129 HE ARG 18 HE ARG 18 -0.802 -2.645 -10.058 130 HH11 ARG 18 HH11 ARG 18 -1.929 -1.305 -13.072 131 HH12 ARG 18 HH12 ARG 18 -1.639 -2.757 -13.976 132 HH21 ARG 18 HH21 ARG 18 -0.416 -4.557 -11.235 133 HH22 ARG 18 HH22 ARG 18 -0.780 -4.607 -12.932 134 H VAL 19 H VAL 19 0.011 -2.252 -5.247 135 HA VAL 19 HA VAL 19 2.864 -1.566 -5.355 136 HB VAL 19 HB VAL 19 2.939 -1.779 -2.834 137 HG11 VAL 19 HG11 VAL 19 1.482 0.637 -2.940 138 HG12 VAL 19 HG12 VAL 19 3.233 0.412 -3.010 139 HG13 VAL 19 HG13 VAL 19 2.282 0.441 -4.500 140 HG21 VAL 19 HG21 VAL 19 0.733 -2.779 -2.520 141 HG22 VAL 19 HG22 VAL 19 0.877 -1.271 -1.615 142 HG23 VAL 19 HG23 VAL 19 -0.030 -1.305 -3.127 143 H THR 20 H THR 20 4.254 -3.200 -4.372 144 HA THR 20 HA THR 20 2.988 -5.853 -4.146 145 HB THR 20 HB THR 20 3.820 -5.970 -6.339 146 HG1 THR 20 HG1 THR 20 4.570 -7.787 -5.361 147 HG21 THR 20 HG21 THR 20 6.100 -5.246 -6.970 148 HG22 THR 20 HG22 THR 20 6.330 -4.623 -5.336 149 HG23 THR 20 HG23 THR 20 5.102 -3.913 -6.386 150 H GLU 21 H GLU 21 4.271 -7.436 -3.004 151 HA GLU 21 HA GLU 21 5.733 -6.224 -0.816 152 HB2 GLU 21 HB3 GLU 21 4.093 -8.443 -1.058 153 HB3 GLU 21 HB2 GLU 21 5.682 -9.136 -0.889 154 HG2 GLU 21 HG3 GLU 21 4.888 -6.988 0.994 155 HG3 GLU 21 HG2 GLU 21 4.193 -8.586 1.204 156 H ASP 22 H ASP 22 6.403 -8.879 -3.108 157 HA ASP 22 HA ASP 22 9.254 -8.630 -2.562 158 HB2 ASP 22 HB3 ASP 22 7.484 -10.676 -3.730 159 HB3 ASP 22 HB2 ASP 22 9.054 -10.534 -4.515 160 H GLU 23 H GLU 23 10.779 -8.661 -4.439 161 HA GLU 23 HA GLU 23 10.029 -6.536 -6.277 162 HB2 GLU 23 HB3 GLU 23 12.339 -6.339 -6.776 163 HB3 GLU 23 HB2 GLU 23 12.237 -6.626 -5.042 164 HG2 GLU 23 HG3 GLU 23 12.546 -9.133 -5.760 165 HG3 GLU 23 HG2 GLU 23 13.243 -8.402 -7.208 166 H ASN 24 H ASN 24 10.556 -9.971 -6.306 167 HA ASN 24 HA ASN 24 10.920 -10.258 -9.118 168 HB2 ASN 24 HB3 ASN 24 10.453 -12.062 -6.808 169 HB3 ASN 24 HB2 ASN 24 9.960 -12.679 -8.383 170 HD21 ASN 24 HD22 ASN 24 11.446 -13.890 -9.278 171 HD22 ASN 24 HD21 ASN 24 13.163 -13.657 -9.171 172 H ASP 25 H ASP 25 8.105 -10.529 -6.973 173 HA ASP 25 HA ASP 25 6.259 -11.294 -8.971 174 HB2 ASP 25 HB3 ASP 25 6.142 -11.138 -6.278 175 HB3 ASP 25 HB2 ASP 25 5.265 -9.667 -6.697 176 H GLU 26 H GLU 26 4.147 -9.587 -8.887 177 HA GLU 26 HA GLU 26 5.221 -7.134 -10.137 178 HB2 GLU 26 HB3 GLU 26 3.185 -9.073 -11.035 179 HB3 GLU 26 HB2 GLU 26 2.736 -7.382 -11.227 180 HG2 GLU 26 HG3 GLU 26 3.753 -8.160 -13.249 181 HG3 GLU 26 HG2 GLU 26 4.829 -6.995 -12.472 182 HA PRO 27 HA PRO 27 2.827 -4.656 -7.422 183 HB2 PRO 27 HB3 PRO 27 1.967 -2.669 -9.046 184 HB3 PRO 27 HB2 PRO 27 3.639 -2.818 -8.532 185 HG2 PRO 27 HG3 PRO 27 2.378 -3.653 -11.115 186 HG3 PRO 27 HG2 PRO 27 3.932 -2.840 -10.843 187 HD2 PRO 27 HD3 PRO 27 3.742 -5.496 -11.331 188 HD3 PRO 27 HD2 PRO 27 5.005 -4.804 -10.288 189 H ILE 28 H ILE 28 1.036 -5.699 -6.701 190 HA ILE 28 HA ILE 28 -1.197 -6.314 -8.389 191 HB ILE 28 HB ILE 28 -0.762 -7.748 -6.506 192 HG12 ILE 28 HG13 ILE 28 -2.974 -7.774 -5.438 193 HG13 ILE 28 HG12 ILE 28 -3.274 -6.133 -6.001 194 HG21 ILE 28 HG21 ILE 28 -1.148 -6.854 -4.168 195 HG22 ILE 28 HG22 ILE 28 0.337 -6.333 -4.968 196 HG23 ILE 28 HG23 ILE 28 -1.049 -5.240 -4.871 197 HD11 ILE 28 HD11 ILE 28 -3.865 -8.545 -7.305 198 HD12 ILE 28 HD12 ILE 28 -4.068 -6.901 -7.915 199 HD13 ILE 28 HD13 ILE 28 -2.571 -7.780 -8.229 200 H GLU 29 H GLU 29 -3.097 -5.260 -8.656 201 HA GLU 29 HA GLU 29 -3.251 -2.548 -7.535 202 HB2 GLU 29 HB3 GLU 29 -4.915 -2.128 -9.316 203 HB3 GLU 29 HB2 GLU 29 -3.365 -2.662 -9.955 204 HG2 GLU 29 HG3 GLU 29 -4.896 -4.987 -9.558 205 HG3 GLU 29 HG2 GLU 29 -5.958 -3.802 -10.324 206 H ILE 30 H ILE 30 -4.523 -2.212 -5.853 207 HA ILE 30 HA ILE 30 -6.940 -3.886 -5.561 208 HB ILE 30 HB ILE 30 -6.539 -3.222 -3.017 209 HG12 ILE 30 HG13 ILE 30 -3.694 -3.675 -3.824 210 HG13 ILE 30 HG12 ILE 30 -4.347 -2.057 -3.913 211 HG21 ILE 30 HG21 ILE 30 -6.711 -5.499 -4.138 212 HG22 ILE 30 HG22 ILE 30 -4.947 -5.479 -4.203 213 HG23 ILE 30 HG23 ILE 30 -5.775 -5.417 -2.645 214 HD11 ILE 30 HD11 ILE 30 -4.422 -3.745 -1.432 215 HD12 ILE 30 HD12 ILE 30 -3.157 -2.569 -1.800 216 HD13 ILE 30 HD13 ILE 30 -4.825 -2.033 -1.581 217 HA PRO 31 HA PRO 31 -9.350 -0.234 -5.244 218 HB2 PRO 31 HB3 PRO 31 -11.190 -0.924 -3.368 219 HB3 PRO 31 HB2 PRO 31 -11.190 -1.591 -5.008 220 HG2 PRO 31 HG3 PRO 31 -10.142 -2.792 -2.474 221 HG3 PRO 31 HG2 PRO 31 -11.080 -3.557 -3.770 222 HD2 PRO 31 HD3 PRO 31 -8.398 -3.845 -3.552 223 HD3 PRO 31 HD2 PRO 31 -9.232 -3.832 -5.121 224 H SER 32 H SER 32 -10.006 1.529 -3.846 225 HA SER 32 HA SER 32 -8.878 1.596 -1.160 226 HB2 SER 32 HB3 SER 32 -7.186 3.050 -1.535 227 HB3 SER 32 HB2 SER 32 -7.294 2.497 -3.207 228 HG SER 32 HG SER 32 -7.370 4.820 -2.923 229 H GLU 33 H GLU 33 -9.275 3.919 -0.226 230 HA GLU 33 HA GLU 33 -12.102 4.369 -0.432 231 HB2 GLU 33 HB3 GLU 33 -9.881 5.346 1.266 232 HB3 GLU 33 HB2 GLU 33 -11.246 6.439 1.083 233 HG2 GLU 33 HG3 GLU 33 -11.655 3.573 1.849 234 HG3 GLU 33 HG2 GLU 33 -11.236 4.795 3.051 235 H ASP 34 H ASP 34 -12.732 6.872 -0.370 236 HA ASP 34 HA ASP 34 -12.064 7.843 -3.016 237 HB2 ASP 34 HB3 ASP 34 -13.772 9.578 -2.540 238 HB3 ASP 34 HB2 ASP 34 -14.381 7.943 -2.292 239 H ASP 35 H ASP 35 -11.413 8.709 0.319 240 HA ASP 35 HA ASP 35 -10.390 11.300 -0.137 241 HB2 ASP 35 HB3 ASP 35 -9.140 10.825 2.066 242 HB3 ASP 35 HB2 ASP 35 -10.903 10.802 2.100 243 H GLY 36 H GLY 36 -8.980 8.112 -0.422 244 HA2 GLY 36 HA3 GLY 36 -7.137 8.037 -2.100 245 HA3 GLY 36 HA2 GLY 36 -6.433 9.382 -1.231 246 H THR 37 H THR 37 -7.958 7.035 0.722 247 HA THR 37 HA THR 37 -5.309 5.975 1.488 248 HB THR 37 HB THR 37 -6.204 5.563 3.705 249 HG1 THR 37 HG1 THR 37 -8.628 6.399 2.500 250 HG21 THR 37 HG21 THR 37 -7.219 8.293 3.436 251 HG22 THR 37 HG22 THR 37 -5.654 8.042 2.659 252 HG23 THR 37 HG23 THR 37 -5.857 7.678 4.376 253 H VAL 38 H VAL 38 -5.685 3.778 2.768 254 HA VAL 38 HA VAL 38 -7.529 2.082 1.214 255 HB VAL 38 HB VAL 38 -4.616 1.490 1.760 256 HG11 VAL 38 HG11 VAL 38 -6.830 -0.268 0.725 257 HG12 VAL 38 HG12 VAL 38 -5.118 -0.622 0.468 258 HG13 VAL 38 HG13 VAL 38 -5.766 -0.547 2.107 259 HG21 VAL 38 HG21 VAL 38 -4.245 1.679 -0.518 260 HG22 VAL 38 HG22 VAL 38 -5.953 1.467 -0.919 261 HG23 VAL 38 HG23 VAL 38 -5.391 2.983 -0.215 262 H LEU 39 H LEU 39 -8.943 1.452 2.727 263 HA LEU 39 HA LEU 39 -8.496 1.222 5.461 264 HB2 LEU 39 HB3 LEU 39 -10.488 0.039 3.581 265 HB3 LEU 39 HB2 LEU 39 -10.454 -0.507 5.258 266 HG LEU 39 HG LEU 39 -10.529 2.410 4.937 267 HD11 LEU 39 HD11 LEU 39 -12.648 2.658 4.059 268 HD12 LEU 39 HD12 LEU 39 -13.081 0.971 4.349 269 HD13 LEU 39 HD13 LEU 39 -11.973 1.386 3.040 270 HD21 LEU 39 HD21 LEU 39 -10.785 0.988 7.048 271 HD22 LEU 39 HD22 LEU 39 -12.407 0.620 6.455 272 HD23 LEU 39 HD23 LEU 39 -11.952 2.291 6.798 273 H LEU 40 H LEU 40 -7.972 -0.449 6.842 274 HA LEU 40 HA LEU 40 -5.998 -2.228 6.113 275 HB2 LEU 40 HB3 LEU 40 -7.370 -1.581 8.439 276 HB3 LEU 40 HB2 LEU 40 -7.662 -3.310 8.231 277 HG LEU 40 HG LEU 40 -4.944 -2.001 8.367 278 HD11 LEU 40 HD11 LEU 40 -4.984 -2.245 10.574 279 HD12 LEU 40 HD12 LEU 40 -5.597 -3.897 10.448 280 HD13 LEU 40 HD13 LEU 40 -6.721 -2.535 10.436 281 HD21 LEU 40 HD21 LEU 40 -5.566 -4.935 8.516 282 HD22 LEU 40 HD22 LEU 40 -4.007 -4.147 8.256 283 HD23 LEU 40 HD23 LEU 40 -5.229 -4.127 6.984 284 H SER 41 H SER 41 -9.466 -2.608 5.904 285 HA SER 41 HA SER 41 -9.716 -5.356 5.659 286 HB2 SER 41 HB3 SER 41 -11.687 -4.796 4.132 287 HB3 SER 41 HB2 SER 41 -11.708 -4.068 5.740 288 HG SER 41 HG SER 41 -11.686 -2.185 4.828 289 H THR 42 H THR 42 -8.927 -2.975 3.150 290 HA THR 42 HA THR 42 -8.719 -4.946 1.072 291 HB THR 42 HB THR 42 -7.560 -2.156 1.035 292 HG1 THR 42 HG1 THR 42 -9.955 -2.485 1.551 293 HG21 THR 42 HG21 THR 42 -7.470 -2.351 -1.263 294 HG22 THR 42 HG22 THR 42 -8.721 -3.595 -1.313 295 HG23 THR 42 HG23 THR 42 -7.095 -4.000 -0.774 296 H VAL 43 H VAL 43 -6.522 -3.463 3.353 297 HA VAL 43 HA VAL 43 -4.092 -4.199 2.072 298 HB VAL 43 HB VAL 43 -4.752 -3.543 4.944 299 HG11 VAL 43 HG11 VAL 43 -2.199 -4.502 3.734 300 HG12 VAL 43 HG12 VAL 43 -2.144 -3.301 5.028 301 HG13 VAL 43 HG13 VAL 43 -2.908 -4.869 5.309 302 HG21 VAL 43 HG21 VAL 43 -4.071 -2.029 2.580 303 HG22 VAL 43 HG22 VAL 43 -4.641 -1.464 4.152 304 HG23 VAL 43 HG23 VAL 43 -2.917 -1.733 3.881 305 H THR 44 H THR 44 -6.105 -5.779 4.525 306 HA THR 44 HA THR 44 -4.310 -8.003 4.843 307 HB THR 44 HB THR 44 -6.038 -8.998 6.222 308 HG1 THR 44 HG1 THR 44 -7.666 -7.129 4.891 309 HG21 THR 44 HG21 THR 44 -4.977 -6.382 6.630 310 HG22 THR 44 HG22 THR 44 -5.399 -7.602 7.835 311 HG23 THR 44 HG23 THR 44 -6.609 -6.435 7.299 312 H ALA 45 H ALA 45 -6.343 -7.120 2.375 313 HA ALA 45 HA ALA 45 -7.502 -9.635 1.690 314 HB1 ALA 45 HB1 ALA 45 -6.933 -7.344 -0.195 315 HB2 ALA 45 HB2 ALA 45 -8.175 -8.610 -0.352 316 HB3 ALA 45 HB3 ALA 45 -8.324 -7.398 0.919 317 H GLN 46 H GLN 46 -4.614 -7.884 0.575 318 HA GLN 46 HA GLN 46 -3.695 -10.389 -0.689 319 HB2 GLN 46 HB3 GLN 46 -2.966 -7.544 -1.418 320 HB3 GLN 46 HB2 GLN 46 -2.357 -8.990 -2.200 321 HG2 GLN 46 HG3 GLN 46 -5.290 -8.386 -2.086 322 HG3 GLN 46 HG2 GLN 46 -4.249 -7.705 -3.337 323 HE21 GLN 46 HE22 GLN 46 -6.101 -10.351 -2.381 324 HE22 GLN 46 HE21 GLN 46 -5.616 -11.462 -3.622 325 H PHE 47 H PHE 47 -3.028 -7.912 1.612 326 HA PHE 47 HA PHE 47 -0.370 -9.107 2.108 327 HB2 PHE 47 HB3 PHE 47 -1.086 -6.324 2.973 328 HB3 PHE 47 HB2 PHE 47 0.491 -7.021 2.719 329 HD1 PHE 47 HD2 PHE 47 0.495 -8.091 0.095 330 HD2 PHE 47 HD1 PHE 47 -1.457 -4.587 1.523 331 HE1 PHE 47 HE2 PHE 47 0.543 -7.145 -2.174 332 HE2 PHE 47 HE1 PHE 47 -1.413 -3.633 -0.744 333 HZ PHE 47 HZ PHE 47 -0.414 -4.908 -2.598 334 HA PRO 48 HA PRO 48 -3.084 -9.941 5.777 335 HB2 PRO 48 HB3 PRO 48 -2.254 -12.507 6.092 336 HB3 PRO 48 HB2 PRO 48 -3.574 -12.049 5.013 337 HG2 PRO 48 HG3 PRO 48 -0.708 -12.626 4.362 338 HG3 PRO 48 HG2 PRO 48 -2.173 -13.132 3.506 339 HD2 PRO 48 HD3 PRO 48 -0.650 -11.059 2.672 340 HD3 PRO 48 HD2 PRO 48 -2.410 -11.104 2.437 341 H GLY 49 H GLY 49 -2.370 -9.396 7.741 342 HA2 GLY 49 HA3 GLY 49 -0.994 -9.431 9.620 343 HA3 GLY 49 HA2 GLY 49 0.173 -10.384 8.730 344 H ALA 50 H ALA 50 -0.671 -7.794 6.839 345 HA ALA 50 HA ALA 50 1.854 -6.478 7.379 346 HB1 ALA 50 HB1 ALA 50 1.381 -6.727 5.084 347 HB2 ALA 50 HB2 ALA 50 -0.276 -6.108 5.281 348 HB3 ALA 50 HB3 ALA 50 1.086 -5.008 5.444 349 H CYS 51 H CYS 51 2.074 -4.901 8.802 350 HA CYS 51 HA CYS 51 -0.303 -3.376 9.619 351 HB2 CYS 51 HB3 CYS 51 2.215 -4.190 10.941 352 HB3 CYS 51 HB2 CYS 51 1.623 -2.588 11.351 353 HG CYS 51 HG CYS 51 -1.000 -4.390 11.561 354 H GLY 52 H GLY 52 3.166 -2.760 9.001 355 HA2 GLY 52 HA3 GLY 52 2.385 -0.089 8.015 356 HA3 GLY 52 HA2 GLY 52 3.872 -0.393 8.859 357 H LEU 53 H LEU 53 2.869 0.442 5.986 358 HA LEU 53 HA LEU 53 4.741 -1.317 4.531 359 HB2 LEU 53 HB3 LEU 53 2.532 0.325 3.314 360 HB3 LEU 53 HB2 LEU 53 3.497 -0.923 2.538 361 HG LEU 53 HG LEU 53 1.492 -2.004 2.871 362 HD11 LEU 53 HD11 LEU 53 3.599 -2.962 4.195 363 HD12 LEU 53 HD12 LEU 53 2.028 -3.761 4.197 364 HD13 LEU 53 HD13 LEU 53 2.499 -2.742 5.556 365 HD21 LEU 53 HD21 LEU 53 -0.054 -1.615 4.551 366 HD22 LEU 53 HD22 LEU 53 0.689 -0.027 4.347 367 HD23 LEU 53 HD23 LEU 53 1.170 -1.060 5.695 368 H ARG 54 H ARG 54 6.353 -0.427 3.322 369 HA ARG 54 HA ARG 54 6.676 2.497 3.557 370 HB2 ARG 54 HB3 ARG 54 8.510 0.245 3.900 371 HB3 ARG 54 HB2 ARG 54 9.154 1.497 2.863 372 HG2 ARG 54 HG3 ARG 54 8.926 3.144 4.579 373 HG3 ARG 54 HG2 ARG 54 8.024 2.022 5.603 374 HD2 ARG 54 HD3 ARG 54 10.554 0.878 4.835 375 HD3 ARG 54 HD2 ARG 54 10.793 2.467 5.566 376 HE ARG 54 HE ARG 54 9.006 0.757 7.048 377 HH11 ARG 54 HH11 ARG 54 12.328 1.671 6.513 378 HH12 ARG 54 HH12 ARG 54 12.860 1.146 8.077 379 HH21 ARG 54 HH21 ARG 54 9.697 0.064 9.107 380 HH22 ARG 54 HH22 ARG 54 11.364 0.231 9.552 381 H TYR 55 H TYR 55 8.284 3.303 1.755 382 HA TYR 55 HA TYR 55 7.208 2.322 -0.813 383 HB2 TYR 55 HB3 TYR 55 7.912 5.055 0.172 384 HB3 TYR 55 HB2 TYR 55 8.017 4.717 -1.539 385 HD1 TYR 55 HD2 TYR 55 5.754 3.085 -2.152 386 HD2 TYR 55 HD1 TYR 55 6.021 6.300 0.621 387 HE1 TYR 55 HE2 TYR 55 3.335 3.471 -2.373 388 HE2 TYR 55 HE1 TYR 55 3.604 6.695 0.406 389 HH TYR 55 HH TYR 55 1.547 5.191 -0.267 390 H ARG 56 H ARG 56 8.565 1.692 -2.385 391 HA ARG 56 HA ARG 56 11.412 2.337 -2.188 392 HB2 ARG 56 HB3 ARG 56 11.483 0.293 -1.040 393 HB3 ARG 56 HB2 ARG 56 10.251 -0.430 -2.062 394 HG2 ARG 56 HG3 ARG 56 12.460 -1.369 -2.501 395 HG3 ARG 56 HG2 ARG 56 11.815 -0.535 -3.918 396 HD2 ARG 56 HD3 ARG 56 13.193 1.395 -3.470 397 HD3 ARG 56 HD2 ARG 56 13.756 0.680 -1.955 398 HE ARG 56 HE ARG 56 14.696 0.097 -4.618 399 HH11 ARG 56 HH11 ARG 56 14.378 -1.102 -1.356 400 HH12 ARG 56 HH12 ARG 56 15.700 -2.215 -1.497 401 HH21 ARG 56 HH21 ARG 56 16.437 -1.366 -4.809 402 HH22 ARG 56 HH22 ARG 56 16.872 -2.364 -3.460 403 H ASN 57 H ASN 57 11.995 3.099 -4.100 404 HA ASN 57 HA ASN 57 11.716 1.702 -6.519 405 HB2 ASN 57 HB3 ASN 57 9.370 3.106 -5.800 406 HB3 ASN 57 HB2 ASN 57 10.117 4.024 -7.092 407 HD21 ASN 57 HD22 ASN 57 8.931 3.555 -8.820 408 HD22 ASN 57 HD21 ASN 57 8.605 1.954 -9.406 409 HA PRO 58 HA PRO 58 14.879 4.559 -7.562 410 HB2 PRO 58 HB3 PRO 58 14.850 4.329 -10.269 411 HB3 PRO 58 HB2 PRO 58 15.486 3.075 -9.209 412 HG2 PRO 58 HG3 PRO 58 12.815 3.249 -10.541 413 HG3 PRO 58 HG2 PRO 58 13.890 1.847 -10.369 414 HD2 PRO 58 HD3 PRO 58 11.736 2.231 -8.770 415 HD3 PRO 58 HD2 PRO 58 13.206 1.437 -8.203 416 H VAL 59 H VAL 59 11.984 4.799 -9.634 417 HA VAL 59 HA VAL 59 12.428 7.474 -10.427 418 HB VAL 59 HB VAL 59 10.116 7.483 -11.187 419 HG11 VAL 59 HG11 VAL 59 10.701 4.722 -11.917 420 HG12 VAL 59 HG12 VAL 59 10.614 6.172 -12.926 421 HG13 VAL 59 HG13 VAL 59 12.104 5.784 -12.057 422 HG21 VAL 59 HG21 VAL 59 8.900 5.172 -10.764 423 HG22 VAL 59 HG22 VAL 59 9.893 5.188 -9.302 424 HG23 VAL 59 HG23 VAL 59 8.763 6.509 -9.620 425 H SER 60 H SER 60 11.305 6.123 -7.498 426 HA SER 60 HA SER 60 9.638 8.240 -6.609 427 HB2 SER 60 HB3 SER 60 9.738 5.904 -5.643 428 HB3 SER 60 HB2 SER 60 11.244 6.376 -4.852 429 HG SER 60 HG SER 60 10.167 7.747 -3.567 430 H GLN 61 H GLN 61 13.088 7.548 -6.224 431 HA GLN 61 HA GLN 61 14.847 8.862 -5.615 432 HB2 GLN 61 HB3 GLN 61 12.993 11.213 -6.034 433 HB3 GLN 61 HB2 GLN 61 14.750 11.222 -6.076 434 HG2 GLN 61 HG3 GLN 61 13.019 9.718 -8.025 435 HG3 GLN 61 HG2 GLN 61 13.671 11.330 -8.307 436 HE21 GLN 61 HE22 GLN 61 15.240 11.169 -9.738 437 HE22 GLN 61 HE21 GLN 61 16.519 9.994 -9.721 438 H CYS 62 H CYS 62 12.772 7.977 -3.664 439 HA CYS 62 HA CYS 62 13.808 9.429 -1.403 440 HB2 CYS 62 HB3 CYS 62 11.451 10.410 -2.529 441 HB3 CYS 62 HB2 CYS 62 10.908 9.440 -1.164 442 HG CYS 62 HG CYS 62 12.465 12.395 -1.198 443 H MET 63 H MET 63 12.975 8.522 0.674 444 HA MET 63 HA MET 63 12.287 5.671 0.320 445 HB2 MET 63 HB3 MET 63 14.597 6.322 1.259 446 HB3 MET 63 HB2 MET 63 13.727 6.794 2.715 447 HG2 MET 63 HG3 MET 63 12.800 4.487 2.828 448 HG3 MET 63 HG2 MET 63 13.842 4.053 1.475 449 HE1 MET 63 HE1 MET 63 15.910 2.150 3.593 450 HE2 MET 63 HE2 MET 63 14.530 2.395 4.669 451 HE3 MET 63 HE3 MET 63 14.275 2.210 2.931 452 H ARG 64 H ARG 64 10.362 7.793 0.513 453 HA ARG 64 HA ARG 64 9.320 8.237 3.044 454 HB2 ARG 64 HB3 ARG 64 8.598 9.056 0.623 455 HB3 ARG 64 HB2 ARG 64 7.428 7.755 0.794 456 HG2 ARG 64 HG3 ARG 64 7.482 9.345 3.185 457 HG3 ARG 64 HG2 ARG 64 7.239 10.370 1.769 458 HD2 ARG 64 HD3 ARG 64 5.433 8.761 1.050 459 HD3 ARG 64 HD2 ARG 64 5.593 8.000 2.632 460 HE ARG 64 HE ARG 64 4.340 10.528 2.036 461 HH11 ARG 64 HH11 ARG 64 5.820 8.547 4.494 462 HH12 ARG 64 HH12 ARG 64 5.023 9.351 5.807 463 HH21 ARG 64 HH21 ARG 64 3.288 11.592 3.758 464 HH22 ARG 64 HH22 ARG 64 3.582 11.081 5.387 465 H GLY 65 H GLY 65 7.071 7.347 3.730 466 HA2 GLY 65 HA3 GLY 65 6.866 4.458 3.265 467 HA3 GLY 65 HA2 GLY 65 7.135 5.002 4.916 468 H VAL 66 H VAL 66 4.825 3.772 3.164 469 HA VAL 66 HA VAL 66 2.647 5.501 3.149 470 HB VAL 66 HB VAL 66 2.514 2.545 3.767 471 HG11 VAL 66 HG11 VAL 66 0.440 3.939 4.057 472 HG12 VAL 66 HG12 VAL 66 0.517 4.276 2.327 473 HG13 VAL 66 HG13 VAL 66 0.308 2.616 2.895 474 HG21 VAL 66 HG21 VAL 66 3.429 2.193 1.765 475 HG22 VAL 66 HG22 VAL 66 2.004 2.951 1.054 476 HG23 VAL 66 HG23 VAL 66 3.435 3.921 1.403 477 H ARG 67 H ARG 67 1.407 6.391 4.667 478 HA ARG 67 HA ARG 67 2.021 5.956 7.447 479 HB2 ARG 67 HB3 ARG 67 1.526 8.201 6.736 480 HB3 ARG 67 HB2 ARG 67 -0.017 7.699 6.054 481 HG2 ARG 67 HG3 ARG 67 -0.397 8.844 8.129 482 HG3 ARG 67 HG2 ARG 67 -0.801 7.139 8.327 483 HD2 ARG 67 HD3 ARG 67 1.822 7.151 9.043 484 HD3 ARG 67 HD2 ARG 67 1.310 8.748 9.591 485 HE ARG 67 HE ARG 67 -0.532 6.737 10.410 486 HH11 ARG 67 HH11 ARG 67 2.601 8.090 11.124 487 HH12 ARG 67 HH12 ARG 67 2.559 7.638 12.797 488 HH21 ARG 67 HH21 ARG 67 -0.596 6.140 12.608 489 HH22 ARG 67 HH22 ARG 67 0.741 6.529 13.641 490 H LEU 68 H LEU 68 0.599 5.226 9.064 491 HA LEU 68 HA LEU 68 -1.720 3.683 8.093 492 HB2 LEU 68 HB3 LEU 68 0.128 2.164 8.557 493 HB3 LEU 68 HB2 LEU 68 0.296 2.843 10.175 494 HG LEU 68 HG LEU 68 -0.886 0.566 9.875 495 HD11 LEU 68 HD11 LEU 68 -0.821 2.197 11.894 496 HD12 LEU 68 HD12 LEU 68 -2.011 0.894 11.869 497 HD13 LEU 68 HD13 LEU 68 -2.494 2.538 11.452 498 HD21 LEU 68 HD21 LEU 68 -3.012 0.475 9.068 499 HD22 LEU 68 HD22 LEU 68 -2.420 1.819 8.094 500 HD23 LEU 68 HD23 LEU 68 -3.384 2.135 9.535 501 H VAL 69 H VAL 69 -3.566 4.155 9.082 502 HA VAL 69 HA VAL 69 -3.568 5.002 11.872 503 HB VAL 69 HB VAL 69 -3.338 7.131 10.743 504 HG11 VAL 69 HG11 VAL 69 -4.250 6.288 8.548 505 HG12 VAL 69 HG12 VAL 69 -5.865 6.525 9.221 506 HG13 VAL 69 HG13 VAL 69 -4.781 7.902 9.025 507 HG21 VAL 69 HG21 VAL 69 -4.782 8.068 12.157 508 HG22 VAL 69 HG22 VAL 69 -6.168 7.454 11.251 509 HG23 VAL 69 HG23 VAL 69 -5.401 6.449 12.484 510 H GLU 70 H GLU 70 -5.151 3.972 12.884 511 HA GLU 70 HA GLU 70 -7.059 2.791 13.285 512 HB2 GLU 70 HB3 GLU 70 -8.136 4.495 11.028 513 HB3 GLU 70 HB2 GLU 70 -9.114 3.552 12.144 514 HG2 GLU 70 HG3 GLU 70 -7.331 5.868 12.867 515 HG3 GLU 70 HG2 GLU 70 -9.091 5.899 12.759 516 H GLY 71 H GLY 71 -5.097 1.920 11.165 517 HA2 GLY 71 HA3 GLY 71 -4.986 -0.173 10.108 518 HA3 GLY 71 HA2 GLY 71 -6.742 -0.269 10.155 519 H ILE 72 H ILE 72 -6.556 2.651 9.039 520 HA ILE 72 HA ILE 72 -6.629 1.782 6.247 521 HB ILE 72 HB ILE 72 -7.341 4.495 7.360 522 HG12 ILE 72 HG13 ILE 72 -9.658 3.046 6.627 523 HG13 ILE 72 HG12 ILE 72 -8.706 1.976 7.637 524 HG21 ILE 72 HG21 ILE 72 -8.441 3.296 4.856 525 HG22 ILE 72 HG22 ILE 72 -8.260 4.990 5.305 526 HG23 ILE 72 HG23 ILE 72 -6.843 4.043 4.843 527 HD11 ILE 72 HD11 ILE 72 -10.320 4.228 8.377 528 HD12 ILE 72 HD12 ILE 72 -9.549 3.010 9.399 529 HD13 ILE 72 HD13 ILE 72 -8.658 4.457 8.922 530 H LEU 73 H LEU 73 -4.764 1.835 5.184 531 HA LEU 73 HA LEU 73 -2.543 3.426 5.930 532 HB2 LEU 73 HB3 LEU 73 -3.230 1.789 3.516 533 HB3 LEU 73 HB2 LEU 73 -1.782 2.771 3.538 534 HG LEU 73 HG LEU 73 -1.223 0.499 4.093 535 HD11 LEU 73 HD11 LEU 73 -0.061 0.844 6.175 536 HD12 LEU 73 HD12 LEU 73 -1.140 2.172 6.599 537 HD13 LEU 73 HD13 LEU 73 -0.030 2.343 5.244 538 HD21 LEU 73 HD21 LEU 73 -2.234 -0.775 5.746 539 HD22 LEU 73 HD22 LEU 73 -3.599 0.090 5.033 540 HD23 LEU 73 HD23 LEU 73 -2.911 0.634 6.561 541 H HIS 74 H HIS 74 -2.186 5.508 5.600 542 HA HIS 74 HA HIS 74 -3.855 6.956 3.683 543 HB2 HIS 74 HB3 HIS 74 -3.760 7.944 5.869 544 HB3 HIS 74 HB2 HIS 74 -2.008 7.880 5.879 545 HD1 HIS 74 HD1 HIS 74 -3.884 9.138 2.887 546 HD2 HIS 74 HD2 HIS 74 -1.720 10.643 6.106 547 HE1 HIS 74 HE1 HIS 74 -3.523 11.578 2.381 548 HE2 HIS 74 HE2 HIS 74 -2.200 12.496 4.356 549 H ALA 75 H ALA 75 -3.146 7.607 1.760 550 HA ALA 75 HA ALA 75 -0.555 6.926 0.824 551 HB1 ALA 75 HB1 ALA 75 -1.357 8.532 -1.120 552 HB2 ALA 75 HB2 ALA 75 -2.058 6.914 -0.897 553 HB3 ALA 75 HB3 ALA 75 -2.921 8.325 -0.295 554 HA PRO 76 HA PRO 76 1.894 10.456 1.714 555 HB2 PRO 76 HB3 PRO 76 3.349 10.745 -0.565 556 HB3 PRO 76 HB2 PRO 76 3.611 9.428 0.584 557 HG2 PRO 76 HG3 PRO 76 2.095 9.417 -1.986 558 HG3 PRO 76 HG2 PRO 76 3.214 8.208 -1.354 559 HD2 PRO 76 HD3 PRO 76 0.529 7.917 -1.199 560 HD3 PRO 76 HD2 PRO 76 1.625 7.280 0.039 561 H ASP 77 H ASP 77 2.813 12.516 0.338 562 HA ASP 77 HA ASP 77 0.415 14.039 -0.259 563 HB2 ASP 77 HB3 ASP 77 3.311 14.723 0.154 564 HB3 ASP 77 HB2 ASP 77 2.217 15.901 -0.571 565 H ALA 78 H ALA 78 0.466 12.250 -2.179 566 HA ALA 78 HA ALA 78 0.647 13.767 -4.556 567 HB1 ALA 78 HB1 ALA 78 3.009 12.142 -3.834 568 HB2 ALA 78 HB2 ALA 78 2.424 11.972 -5.505 569 HB3 ALA 78 HB3 ALA 78 2.865 13.565 -4.897 570 H GLY 79 H GLY 79 0.698 10.518 -3.146 571 HA2 GLY 79 HA3 GLY 79 -1.595 9.444 -3.726 572 HA3 GLY 79 HA2 GLY 79 -0.972 9.551 -5.360 573 H TRP 80 H TRP 80 -1.529 7.137 -4.950 574 HA TRP 80 HA TRP 80 0.416 5.636 -3.461 575 HB2 TRP 80 HB3 TRP 80 -1.693 4.783 -5.459 576 HB3 TRP 80 HB2 TRP 80 -0.668 3.665 -4.581 577 HD1 TRP 80 HD1 TRP 80 -3.942 5.288 -4.357 578 HE1 TRP 80 HE1 TRP 80 -4.932 5.075 -1.986 579 HE3 TRP 80 HE3 TRP 80 0.261 3.776 -1.875 580 HZ2 TRP 80 HZ2 TRP 80 -4.035 4.352 0.592 581 HZ3 TRP 80 HZ3 TRP 80 0.109 3.345 0.542 582 HH2 TRP 80 HH2 TRP 80 -1.994 3.628 1.748 583 H GLY 81 H GLY 81 -0.394 5.251 -6.909 584 HA2 GLY 81 HA3 GLY 81 1.101 5.473 -8.730 585 HA3 GLY 81 HA2 GLY 81 2.444 5.518 -7.595 586 H ASN 82 H ASN 82 3.435 3.989 -9.092 587 HA ASN 82 HA ASN 82 2.542 1.234 -8.526 588 HB2 ASN 82 HB3 ASN 82 3.936 1.944 -11.092 589 HB3 ASN 82 HB2 ASN 82 2.929 0.544 -10.727 590 HD21 ASN 82 HD22 ASN 82 2.841 2.629 -12.863 591 HD22 ASN 82 HD21 ASN 82 1.217 3.243 -12.811 592 H LEU 83 H LEU 83 3.995 0.822 -6.908 593 HA LEU 83 HA LEU 83 6.746 0.417 -7.756 594 HB2 LEU 83 HB3 LEU 83 7.473 1.521 -5.522 595 HB3 LEU 83 HB2 LEU 83 7.172 2.524 -6.940 596 HG LEU 83 HG LEU 83 6.298 3.377 -4.716 597 HD11 LEU 83 HD11 LEU 83 3.927 3.206 -6.422 598 HD12 LEU 83 HD12 LEU 83 5.397 3.699 -7.268 599 HD13 LEU 83 HD13 LEU 83 4.832 4.616 -5.869 600 HD21 LEU 83 HD21 LEU 83 5.401 1.023 -4.150 601 HD22 LEU 83 HD22 LEU 83 4.020 1.481 -5.151 602 HD23 LEU 83 HD23 LEU 83 4.429 2.428 -3.721 603 H VAL 84 H VAL 84 7.983 -0.347 -5.556 604 HA VAL 84 HA VAL 84 6.339 -2.587 -4.596 605 HB VAL 84 HB VAL 84 8.382 -3.295 -5.655 606 HG11 VAL 84 HG11 VAL 84 9.668 -1.247 -5.425 607 HG12 VAL 84 HG12 VAL 84 9.807 -1.511 -3.687 608 HG13 VAL 84 HG13 VAL 84 10.586 -2.621 -4.810 609 HG21 VAL 84 HG21 VAL 84 8.745 -3.537 -2.669 610 HG22 VAL 84 HG22 VAL 84 7.602 -4.492 -3.615 611 HG23 VAL 84 HG23 VAL 84 9.333 -4.645 -3.910 612 H TYR 85 H TYR 85 5.690 -2.702 -2.546 613 HA TYR 85 HA TYR 85 6.686 -0.680 -0.666 614 HB2 TYR 85 HB3 TYR 85 4.653 -0.805 0.419 615 HB3 TYR 85 HB2 TYR 85 4.161 -1.163 -1.209 616 HD1 TYR 85 HD1 TYR 85 3.485 -3.424 -1.845 617 HD2 TYR 85 HD2 TYR 85 4.637 -2.524 2.147 618 HE1 TYR 85 HE1 TYR 85 2.495 -5.543 -1.090 619 HE2 TYR 85 HE2 TYR 85 3.647 -4.638 2.913 620 HH TYR 85 HH TYR 85 2.522 -6.460 2.341 621 H VAL 86 H VAL 86 7.148 -1.270 1.538 622 HA VAL 86 HA VAL 86 8.193 -4.021 1.763 623 HB VAL 86 HB VAL 86 9.173 -1.513 3.136 624 HG11 VAL 86 HG11 VAL 86 9.397 -3.470 4.573 625 HG12 VAL 86 HG12 VAL 86 10.210 -4.347 3.273 626 HG13 VAL 86 HG13 VAL 86 10.975 -2.929 4.001 627 HG21 VAL 86 HG21 VAL 86 10.350 -1.207 1.274 628 HG22 VAL 86 HG22 VAL 86 11.232 -2.686 1.667 629 HG23 VAL 86 HG23 VAL 86 9.821 -2.754 0.606 630 H VAL 87 H VAL 87 7.219 -5.297 3.181 631 HA VAL 87 HA VAL 87 5.141 -4.394 4.882 632 HB VAL 87 HB VAL 87 5.167 -6.680 5.819 633 HG11 VAL 87 HG11 VAL 87 4.815 -7.862 3.582 634 HG12 VAL 87 HG12 VAL 87 3.830 -6.432 3.904 635 HG13 VAL 87 HG13 VAL 87 5.235 -6.317 2.839 636 HG21 VAL 87 HG21 VAL 87 7.480 -7.212 5.867 637 HG22 VAL 87 HG22 VAL 87 6.734 -8.329 4.720 638 HG23 VAL 87 HG23 VAL 87 7.649 -6.939 4.133 639 H ASN 88 H ASN 88 5.034 -4.339 7.162 640 HA ASN 88 HA ASN 88 7.559 -4.448 8.635 641 HB2 ASN 88 HB3 ASN 88 7.048 -2.063 7.763 642 HB3 ASN 88 HB2 ASN 88 5.772 -2.049 8.975 643 HD21 ASN 88 HD22 ASN 88 6.639 -0.495 10.261 644 HD22 ASN 88 HD21 ASN 88 8.109 -0.713 11.164 645 H TYR 89 H TYR 89 6.791 -6.222 9.758 646 HA TYR 89 HA TYR 89 5.048 -5.619 11.971 647 HB2 TYR 89 HB3 TYR 89 3.385 -7.343 11.519 648 HB3 TYR 89 HB2 TYR 89 3.402 -6.162 10.213 649 HD1 TYR 89 HD1 TYR 89 4.469 -6.753 8.035 650 HD2 TYR 89 HD2 TYR 89 3.887 -9.632 11.113 651 HE1 TYR 89 HE1 TYR 89 4.784 -8.561 6.398 652 HE2 TYR 89 HE2 TYR 89 4.203 -11.445 9.484 653 HH TYR 89 HH TYR 89 5.360 -11.737 7.251 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -24.298 4.049 25.277 2 H2 MET 1 H2 MET 1 -25.663 4.460 24.439 3 H3 MET 1 H3 MET 1 -24.501 3.525 23.722 4 HA MET 1 HA MET 1 -24.760 6.245 23.705 5 HB2 MET 1 HB3 MET 1 -22.588 5.172 25.449 6 HB3 MET 1 HB2 MET 1 -22.214 6.540 24.405 7 HG2 MET 1 HG3 MET 1 -22.840 7.449 26.478 8 HG3 MET 1 HG2 MET 1 -24.213 7.702 25.400 9 HE1 MET 1 HE1 MET 1 -23.239 6.013 28.976 10 HE2 MET 1 HE2 MET 1 -23.626 7.677 28.532 11 HE3 MET 1 HE3 MET 1 -24.809 6.698 29.407 12 H ALA 2 H ALA 2 -24.445 6.542 21.608 13 HA ALA 2 HA ALA 2 -22.022 5.699 20.317 14 HB1 ALA 2 HB1 ALA 2 -22.994 3.590 20.037 15 HB2 ALA 2 HB2 ALA 2 -22.964 3.603 20.003 16 HB3 ALA 2 HB3 ALA 2 -23.360 4.434 18.504 17 H GLY 3 H GLY 3 -22.412 6.055 17.764 18 HA2 GLY 3 HA3 GLY 3 -24.287 7.857 16.813 19 HA3 GLY 3 HA2 GLY 3 -23.010 8.836 17.525 20 H SER 4 H SER 4 -23.690 8.926 14.808 21 HA SER 4 HA SER 4 -21.972 7.287 13.233 22 HB2 SER 4 HB3 SER 4 -24.068 8.595 12.489 23 HB3 SER 4 HB2 SER 4 -22.995 9.994 12.381 24 HG SER 4 HG SER 4 -23.109 8.938 10.383 25 H HIS 5 H HIS 5 -19.833 7.350 13.450 26 HA HIS 5 HA HIS 5 -18.474 9.821 14.160 27 HB2 HIS 5 HB3 HIS 5 -16.505 8.478 14.425 28 HB3 HIS 5 HB2 HIS 5 -17.850 7.592 15.142 29 HD1 HIS 5 HD1 HIS 5 -15.321 7.428 12.431 30 HD2 HIS 5 HD2 HIS 5 -18.652 5.280 13.701 31 HE1 HIS 5 HE1 HIS 5 -15.216 5.227 11.211 32 HE2 HIS 5 HE2 HIS 5 -17.255 3.915 11.992 33 H HIS 6 H HIS 6 -19.085 7.885 11.348 34 HA HIS 6 HA HIS 6 -17.258 9.594 9.780 35 HB2 HIS 6 HB3 HIS 6 -17.408 7.749 8.055 36 HB3 HIS 6 HB2 HIS 6 -16.573 7.320 9.548 37 HD1 HIS 6 HD1 HIS 6 -17.064 4.810 9.225 38 HD2 HIS 6 HD2 HIS 6 -20.473 7.183 9.471 39 HE1 HIS 6 HE1 HIS 6 -18.984 3.211 9.537 40 HE2 HIS 6 HE2 HIS 6 -21.069 4.668 9.687 41 H HIS 7 H HIS 7 -18.044 9.719 7.391 42 HA HIS 7 HA HIS 7 -20.940 10.302 7.402 43 HB2 HIS 7 HB3 HIS 7 -20.575 12.268 6.098 44 HB3 HIS 7 HB2 HIS 7 -19.450 12.341 7.453 45 HD1 HIS 7 HD1 HIS 7 -16.915 11.574 6.841 46 HD2 HIS 7 HD2 HIS 7 -19.414 12.528 3.653 47 HE1 HIS 7 HE1 HIS 7 -15.388 11.978 4.878 48 HE2 HIS 7 HE2 HIS 7 -16.920 12.561 2.931 49 H HIS 8 H HIS 8 -21.865 10.431 5.152 50 HA HIS 8 HA HIS 8 -20.538 8.511 3.346 51 HB2 HIS 8 HB3 HIS 8 -22.751 7.560 2.808 52 HB3 HIS 8 HB2 HIS 8 -22.338 7.343 4.508 53 HD1 HIS 8 HD1 HIS 8 -23.835 8.450 6.240 54 HD2 HIS 8 HD2 HIS 8 -24.832 9.441 2.323 55 HE1 HIS 8 HE1 HIS 8 -26.059 9.628 6.382 56 HE2 HIS 8 HE2 HIS 8 -26.663 10.233 3.982 57 H HIS 9 H HIS 9 -20.523 9.030 1.229 58 HA HIS 9 HA HIS 9 -21.761 11.593 0.491 59 HB2 HIS 9 HB3 HIS 9 -19.346 10.101 -0.441 60 HB3 HIS 9 HB2 HIS 9 -20.164 11.164 -1.585 61 HD1 HIS 9 HD1 HIS 9 -17.284 11.712 -0.519 62 HD2 HIS 9 HD2 HIS 9 -20.766 13.395 1.019 63 HE1 HIS 9 HE1 HIS 9 -16.564 13.840 0.622 64 HE2 HIS 9 HE2 HIS 9 -18.700 14.867 1.562 65 H HIS 10 H HIS 10 -22.575 11.783 -1.757 66 HA HIS 10 HA HIS 10 -24.348 9.557 -2.321 67 HB2 HIS 10 HB3 HIS 10 -24.891 12.109 -2.406 68 HB3 HIS 10 HB2 HIS 10 -24.162 12.035 -4.009 69 HD1 HIS 10 HD1 HIS 10 -26.337 12.460 -5.269 70 HD2 HIS 10 HD2 HIS 10 -26.499 9.156 -2.746 71 HE1 HIS 10 HE1 HIS 10 -28.465 11.252 -5.868 72 HE2 HIS 10 HE2 HIS 10 -28.558 9.229 -4.321 73 H GLY 11 H GLY 11 -21.669 11.246 -3.908 74 HA2 GLY 11 HA3 GLY 11 -20.893 8.905 -5.340 75 HA3 GLY 11 HA2 GLY 11 -21.733 10.030 -6.399 76 H SER 12 H SER 12 -18.763 9.119 -5.222 77 HA SER 12 HA SER 12 -17.533 11.538 -6.310 78 HB2 SER 12 HB3 SER 12 -15.924 11.568 -4.337 79 HB3 SER 12 HB2 SER 12 -17.564 12.128 -4.002 80 HG SER 12 HG SER 12 -18.016 10.155 -3.044 81 H MET 13 H MET 13 -15.596 11.186 -7.305 82 HA MET 13 HA MET 13 -14.967 8.563 -8.119 83 HB2 MET 13 HB3 MET 13 -12.942 9.579 -9.115 84 HB3 MET 13 HB2 MET 13 -14.406 10.475 -9.500 85 HG2 MET 13 HG3 MET 13 -13.096 12.225 -8.952 86 HG3 MET 13 HG2 MET 13 -13.668 11.830 -7.332 87 HE1 MET 13 HE1 MET 13 -11.979 13.279 -6.580 88 HE2 MET 13 HE2 MET 13 -10.465 12.631 -5.944 89 HE3 MET 13 HE3 MET 13 -10.490 13.431 -7.517 90 H SER 14 H SER 14 -12.876 7.461 -7.821 91 HA SER 14 HA SER 14 -11.505 8.035 -5.304 92 HB2 SER 14 HB3 SER 14 -11.885 5.926 -4.319 93 HB3 SER 14 HB2 SER 14 -13.471 6.414 -4.924 94 HG SER 14 HG SER 14 -13.279 4.998 -6.592 95 H GLU 15 H GLU 15 -9.394 7.361 -5.245 96 HA GLU 15 HA GLU 15 -8.264 6.574 -7.806 97 HB2 GLU 15 HB3 GLU 15 -7.397 8.269 -5.870 98 HB3 GLU 15 HB2 GLU 15 -6.495 6.817 -5.448 99 HG2 GLU 15 HG3 GLU 15 -5.205 6.904 -7.305 100 HG3 GLU 15 HG2 GLU 15 -6.482 7.609 -8.297 101 H TYR 16 H TYR 16 -6.107 5.106 -7.289 102 HA TYR 16 HA TYR 16 -7.024 2.734 -5.807 103 HB2 TYR 16 HB3 TYR 16 -6.203 1.284 -7.634 104 HB3 TYR 16 HB2 TYR 16 -7.533 2.313 -8.152 105 HD1 TYR 16 HD1 TYR 16 -3.895 1.758 -8.393 106 HD2 TYR 16 HD2 TYR 16 -7.224 3.985 -9.842 107 HE1 TYR 16 HE1 TYR 16 -2.525 2.584 -10.258 108 HE2 TYR 16 HE2 TYR 16 -5.859 4.816 -11.712 109 HH TYR 16 HH TYR 16 -3.358 3.573 -12.861 110 H ILE 17 H ILE 17 -5.275 1.205 -5.316 111 HA ILE 17 HA ILE 17 -2.678 2.592 -5.064 112 HB ILE 17 HB ILE 17 -3.605 2.386 -2.874 113 HG12 ILE 17 HG13 ILE 17 -1.608 0.164 -3.326 114 HG13 ILE 17 HG12 ILE 17 -1.213 1.844 -3.081 115 HG21 ILE 17 HG21 ILE 17 -5.126 0.834 -2.434 116 HG22 ILE 17 HG22 ILE 17 -4.728 -0.023 -3.920 117 HG23 ILE 17 HG23 ILE 17 -3.853 -0.385 -2.435 118 HD11 ILE 17 HD11 ILE 17 -2.397 -0.067 -1.099 119 HD12 ILE 17 HD12 ILE 17 -0.838 0.755 -1.028 120 HD13 ILE 17 HD13 ILE 17 -2.331 1.676 -0.839 121 H ARG 18 H ARG 18 -1.043 1.676 -6.099 122 HA ARG 18 HA ARG 18 -1.224 -1.204 -6.731 123 HB2 ARG 18 HB3 ARG 18 -0.602 1.128 -8.402 124 HB3 ARG 18 HB2 ARG 18 0.546 -0.186 -8.560 125 HG2 ARG 18 HG3 ARG 18 -2.169 -1.159 -8.619 126 HG3 ARG 18 HG2 ARG 18 -1.890 0.068 -9.856 127 HD2 ARG 18 HD3 ARG 18 -0.124 -2.338 -9.413 128 HD3 ARG 18 HD2 ARG 18 -1.428 -2.269 -10.600 129 HE ARG 18 HE ARG 18 0.508 -0.140 -10.838 130 HH11 ARG 18 HH11 ARG 18 -0.341 -3.393 -11.769 131 HH12 ARG 18 HH12 ARG 18 0.616 -3.367 -13.215 132 HH21 ARG 18 HH21 ARG 18 1.770 -0.099 -12.738 133 HH22 ARG 18 HH22 ARG 18 1.816 -1.495 -13.764 134 H VAL 19 H VAL 19 0.042 -2.185 -5.273 135 HA VAL 19 HA VAL 19 2.875 -1.498 -5.250 136 HB VAL 19 HB VAL 19 2.936 -1.676 -2.737 137 HG11 VAL 19 HG11 VAL 19 2.760 0.481 -4.312 138 HG12 VAL 19 HG12 VAL 19 1.320 0.730 -3.321 139 HG13 VAL 19 HG13 VAL 19 2.908 0.580 -2.556 140 HG21 VAL 19 HG21 VAL 19 0.901 -1.209 -1.497 141 HG22 VAL 19 HG22 VAL 19 -0.027 -1.157 -2.998 142 HG23 VAL 19 HG23 VAL 19 0.701 -2.674 -2.461 143 H THR 20 H THR 20 4.231 -3.190 -4.568 144 HA THR 20 HA THR 20 2.880 -5.807 -4.307 145 HB THR 20 HB THR 20 3.857 -5.960 -6.413 146 HG1 THR 20 HG1 THR 20 4.755 -7.744 -5.678 147 HG21 THR 20 HG21 THR 20 5.064 -3.950 -6.615 148 HG22 THR 20 HG22 THR 20 6.277 -5.221 -6.784 149 HG23 THR 20 HG23 THR 20 6.116 -4.350 -5.259 150 H GLU 21 H GLU 21 4.011 -7.435 -3.092 151 HA GLU 21 HA GLU 21 5.174 -6.397 -0.702 152 HB2 GLU 21 HB3 GLU 21 4.196 -8.955 -1.671 153 HB3 GLU 21 HB2 GLU 21 5.662 -9.135 -0.746 154 HG2 GLU 21 HG3 GLU 21 4.481 -7.615 0.984 155 HG3 GLU 21 HG2 GLU 21 3.021 -8.100 0.132 156 H ASP 22 H ASP 22 6.451 -8.336 -3.398 157 HA ASP 22 HA ASP 22 9.166 -7.574 -2.527 158 HB2 ASP 22 HB3 ASP 22 8.204 -10.116 -3.845 159 HB3 ASP 22 HB2 ASP 22 9.907 -9.678 -3.726 160 H GLU 23 H GLU 23 10.771 -7.741 -4.429 161 HA GLU 23 HA GLU 23 9.695 -6.076 -6.564 162 HB2 GLU 23 HB3 GLU 23 12.027 -5.718 -7.190 163 HB3 GLU 23 HB2 GLU 23 11.791 -5.419 -5.472 164 HG2 GLU 23 HG3 GLU 23 12.707 -7.635 -4.966 165 HG3 GLU 23 HG2 GLU 23 12.964 -7.914 -6.691 166 H ASN 24 H ASN 24 10.692 -9.338 -6.031 167 HA ASN 24 HA ASN 24 11.312 -10.054 -8.702 168 HB2 ASN 24 HB3 ASN 24 11.873 -11.374 -6.617 169 HB3 ASN 24 HB2 ASN 24 10.185 -11.884 -6.572 170 HD21 ASN 24 HD21 ASN 24 9.365 -13.082 -8.395 171 HD22 ASN 24 HD22 ASN 24 10.444 -14.085 -9.313 172 H ASP 25 H ASP 25 8.327 -9.609 -6.995 173 HA ASP 25 HA ASP 25 6.796 -10.909 -9.130 174 HB2 ASP 25 HB3 ASP 25 6.402 -10.969 -6.462 175 HB3 ASP 25 HB2 ASP 25 5.396 -9.580 -6.874 176 H GLU 26 H GLU 26 4.492 -9.492 -9.192 177 HA GLU 26 HA GLU 26 5.372 -6.897 -10.286 178 HB2 GLU 26 HB3 GLU 26 3.273 -8.858 -11.126 179 HB3 GLU 26 HB2 GLU 26 3.046 -7.153 -11.498 180 HG2 GLU 26 HG3 GLU 26 5.162 -7.119 -12.704 181 HG3 GLU 26 HG2 GLU 26 5.421 -8.820 -12.311 182 HA PRO 27 HA PRO 27 2.840 -4.652 -7.495 183 HB2 PRO 27 HB3 PRO 27 1.881 -2.664 -9.061 184 HB3 PRO 27 HB2 PRO 27 3.559 -2.736 -8.538 185 HG2 PRO 27 HG3 PRO 27 2.357 -3.557 -11.157 186 HG3 PRO 27 HG2 PRO 27 3.860 -2.667 -10.847 187 HD2 PRO 27 HD3 PRO 27 3.823 -5.314 -11.422 188 HD3 PRO 27 HD2 PRO 27 5.039 -4.587 -10.348 189 H ILE 28 H ILE 28 0.940 -5.219 -6.663 190 HA ILE 28 HA ILE 28 -1.208 -6.097 -8.438 191 HB ILE 28 HB ILE 28 -0.741 -7.581 -6.606 192 HG12 ILE 28 HG13 ILE 28 -2.945 -7.696 -5.536 193 HG13 ILE 28 HG12 ILE 28 -3.283 -6.038 -6.026 194 HG21 ILE 28 HG21 ILE 28 -1.122 -6.780 -4.239 195 HG22 ILE 28 HG22 ILE 28 0.335 -6.181 -5.032 196 HG23 ILE 28 HG23 ILE 28 -1.082 -5.138 -4.881 197 HD11 ILE 28 HD11 ILE 28 -3.849 -8.396 -7.426 198 HD12 ILE 28 HD12 ILE 28 -4.060 -6.732 -7.976 199 HD13 ILE 28 HD13 ILE 28 -2.558 -7.593 -8.320 200 H GLU 29 H GLU 29 -3.118 -5.068 -8.700 201 HA GLU 29 HA GLU 29 -3.345 -2.400 -7.496 202 HB2 GLU 29 HB3 GLU 29 -5.001 -1.955 -9.253 203 HB3 GLU 29 HB2 GLU 29 -3.470 -2.498 -9.930 204 HG2 GLU 29 HG3 GLU 29 -4.719 -3.890 -11.143 205 HG3 GLU 29 HG2 GLU 29 -4.806 -4.856 -9.669 206 H ILE 30 H ILE 30 -4.681 -2.064 -5.859 207 HA ILE 30 HA ILE 30 -7.028 -3.833 -5.568 208 HB ILE 30 HB ILE 30 -6.600 -3.163 -3.006 209 HG12 ILE 30 HG13 ILE 30 -3.789 -3.665 -3.926 210 HG13 ILE 30 HG12 ILE 30 -4.414 -2.033 -3.894 211 HG21 ILE 30 HG21 ILE 30 -6.669 -5.446 -4.394 212 HG22 ILE 30 HG22 ILE 30 -4.968 -5.451 -3.930 213 HG23 ILE 30 HG23 ILE 30 -6.221 -5.375 -2.689 214 HD11 ILE 30 HD11 ILE 30 -3.129 -2.776 -1.867 215 HD12 ILE 30 HD12 ILE 30 -4.725 -2.083 -1.561 216 HD13 ILE 30 HD13 ILE 30 -4.495 -3.832 -1.500 217 HA PRO 31 HA PRO 31 -9.526 -0.250 -5.156 218 HB2 PRO 31 HB3 PRO 31 -11.326 -1.015 -3.268 219 HB3 PRO 31 HB2 PRO 31 -11.329 -1.657 -4.918 220 HG2 PRO 31 HG3 PRO 31 -10.218 -2.871 -2.414 221 HG3 PRO 31 HG2 PRO 31 -11.154 -3.639 -3.711 222 HD2 PRO 31 HD3 PRO 31 -8.462 -3.862 -3.530 223 HD3 PRO 31 HD2 PRO 31 -9.317 -3.847 -5.088 224 H SER 32 H SER 32 -9.620 1.642 -4.045 225 HA SER 32 HA SER 32 -8.679 1.651 -1.250 226 HB2 SER 32 HB3 SER 32 -7.121 3.334 -1.619 227 HB3 SER 32 HB2 SER 32 -6.966 2.388 -3.099 228 HG SER 32 HG SER 32 -7.148 4.588 -3.589 229 H GLU 33 H GLU 33 -9.132 3.818 -0.188 230 HA GLU 33 HA GLU 33 -11.921 4.378 -0.470 231 HB2 GLU 33 HB3 GLU 33 -10.308 4.500 1.627 232 HB3 GLU 33 HB2 GLU 33 -10.118 6.169 1.101 233 HG2 GLU 33 HG3 GLU 33 -12.638 6.335 1.137 234 HG3 GLU 33 HG2 GLU 33 -12.637 4.772 1.958 235 H ASP 34 H ASP 34 -12.863 6.479 -0.851 236 HA ASP 34 HA ASP 34 -11.890 7.698 -3.211 237 HB2 ASP 34 HB3 ASP 34 -13.721 9.292 -2.923 238 HB3 ASP 34 HB2 ASP 34 -14.279 7.650 -2.606 239 H ASP 35 H ASP 35 -11.482 8.422 0.177 240 HA ASP 35 HA ASP 35 -10.559 11.088 -0.113 241 HB2 ASP 35 HB3 ASP 35 -10.210 9.017 2.053 242 HB3 ASP 35 HB2 ASP 35 -9.512 10.632 2.175 243 H GLY 36 H GLY 36 -9.120 8.048 -0.762 244 HA2 GLY 36 HA3 GLY 36 -7.111 8.151 -2.172 245 HA3 GLY 36 HA2 GLY 36 -6.502 9.386 -1.091 246 H THR 37 H THR 37 -7.778 7.626 1.133 247 HA THR 37 HA THR 37 -5.322 6.206 1.711 248 HB THR 37 HB THR 37 -6.266 5.729 3.865 249 HG1 THR 37 HG1 THR 37 -8.564 6.587 4.141 250 HG21 THR 37 HG21 THR 37 -5.848 7.834 4.458 251 HG22 THR 37 HG22 THR 37 -7.464 8.308 3.928 252 HG23 THR 37 HG23 THR 37 -6.113 8.360 2.795 253 H VAL 38 H VAL 38 -6.001 3.970 3.015 254 HA VAL 38 HA VAL 38 -7.671 2.358 1.219 255 HB VAL 38 HB VAL 38 -4.790 1.762 1.890 256 HG11 VAL 38 HG11 VAL 38 -5.914 -0.291 2.242 257 HG12 VAL 38 HG12 VAL 38 -6.940 -0.056 0.822 258 HG13 VAL 38 HG13 VAL 38 -5.215 -0.382 0.625 259 HG21 VAL 38 HG21 VAL 38 -6.074 1.696 -0.817 260 HG22 VAL 38 HG22 VAL 38 -5.496 3.211 -0.122 261 HG23 VAL 38 HG23 VAL 38 -4.369 1.885 -0.395 262 H LEU 39 H LEU 39 -9.071 1.254 2.401 263 HA LEU 39 HA LEU 39 -9.026 1.108 5.194 264 HB2 LEU 39 HB3 LEU 39 -10.539 -0.303 3.043 265 HB3 LEU 39 HB2 LEU 39 -10.662 -0.893 4.700 266 HG LEU 39 HG LEU 39 -11.342 1.915 3.823 267 HD11 LEU 39 HD11 LEU 39 -13.325 -0.169 4.655 268 HD12 LEU 39 HD12 LEU 39 -12.796 -0.043 2.975 269 HD13 LEU 39 HD13 LEU 39 -13.585 1.329 3.757 270 HD21 LEU 39 HD21 LEU 39 -10.976 2.210 6.039 271 HD22 LEU 39 HD22 LEU 39 -11.227 0.508 6.427 272 HD23 LEU 39 HD23 LEU 39 -12.615 1.565 6.149 273 H LEU 40 H LEU 40 -8.471 -0.480 6.654 274 HA LEU 40 HA LEU 40 -6.217 -2.055 6.064 275 HB2 LEU 40 HB3 LEU 40 -7.335 -1.204 8.328 276 HB3 LEU 40 HB2 LEU 40 -7.983 -2.846 8.317 277 HG LEU 40 HG LEU 40 -5.035 -2.247 8.113 278 HD11 LEU 40 HD11 LEU 40 -5.823 -3.304 10.658 279 HD12 LEU 40 HD12 LEU 40 -6.685 -1.798 10.344 280 HD13 LEU 40 HD13 LEU 40 -4.921 -1.833 10.286 281 HD21 LEU 40 HD21 LEU 40 -5.329 -4.687 9.273 282 HD22 LEU 40 HD22 LEU 40 -5.086 -4.419 7.545 283 HD23 LEU 40 HD23 LEU 40 -6.717 -4.655 8.184 284 H SER 41 H SER 41 -9.579 -2.660 5.648 285 HA SER 41 HA SER 41 -9.560 -5.488 5.748 286 HB2 SER 41 HB3 SER 41 -11.379 -3.581 4.254 287 HB3 SER 41 HB2 SER 41 -11.678 -5.312 4.432 288 HG SER 41 HG SER 41 -12.061 -5.050 6.551 289 H THR 42 H THR 42 -8.925 -3.173 3.168 290 HA THR 42 HA THR 42 -8.732 -5.183 1.118 291 HB THR 42 HB THR 42 -7.698 -2.342 1.025 292 HG1 THR 42 HG1 THR 42 -10.258 -3.375 0.288 293 HG21 THR 42 HG21 THR 42 -6.948 -3.995 -0.741 294 HG22 THR 42 HG22 THR 42 -7.775 -2.558 -1.337 295 HG23 THR 42 HG23 THR 42 -8.637 -4.096 -1.241 296 H VAL 43 H VAL 43 -6.535 -3.598 3.325 297 HA VAL 43 HA VAL 43 -4.107 -4.259 2.010 298 HB VAL 43 HB VAL 43 -4.760 -3.615 4.885 299 HG11 VAL 43 HG11 VAL 43 -2.148 -3.349 4.959 300 HG12 VAL 43 HG12 VAL 43 -2.907 -4.910 5.281 301 HG13 VAL 43 HG13 VAL 43 -2.201 -4.578 3.695 302 HG21 VAL 43 HG21 VAL 43 -4.853 -1.630 3.748 303 HG22 VAL 43 HG22 VAL 43 -3.130 -1.676 4.133 304 HG23 VAL 43 HG23 VAL 43 -3.687 -2.145 2.526 305 H THR 44 H THR 44 -6.129 -5.974 4.334 306 HA THR 44 HA THR 44 -4.228 -8.119 4.685 307 HB THR 44 HB THR 44 -5.913 -9.190 6.043 308 HG1 THR 44 HG1 THR 44 -7.632 -7.360 4.745 309 HG21 THR 44 HG21 THR 44 -6.640 -6.648 7.100 310 HG22 THR 44 HG22 THR 44 -4.989 -6.536 6.481 311 HG23 THR 44 HG23 THR 44 -5.402 -7.766 7.677 312 H ALA 45 H ALA 45 -6.540 -7.304 2.344 313 HA ALA 45 HA ALA 45 -7.454 -9.869 1.577 314 HB1 ALA 45 HB1 ALA 45 -7.144 -7.767 -0.504 315 HB2 ALA 45 HB2 ALA 45 -7.138 -7.739 -0.472 316 HB3 ALA 45 HB3 ALA 45 -8.208 -7.423 0.891 317 H GLN 46 H GLN 46 -4.737 -7.873 0.453 318 HA GLN 46 HA GLN 46 -3.704 -10.235 -0.985 319 HB2 GLN 46 HB3 GLN 46 -3.259 -7.289 -1.492 320 HB3 GLN 46 HB2 GLN 46 -2.366 -8.564 -2.298 321 HG2 GLN 46 HG3 GLN 46 -5.357 -8.262 -2.403 322 HG3 GLN 46 HG2 GLN 46 -4.246 -7.637 -3.624 323 HE21 GLN 46 HE21 GLN 46 -6.383 -9.608 -3.874 324 HE22 GLN 46 HE22 GLN 46 -5.635 -11.053 -4.482 325 H PHE 47 H PHE 47 -3.198 -8.104 1.616 326 HA PHE 47 HA PHE 47 -0.515 -9.248 2.025 327 HB2 PHE 47 HB3 PHE 47 -1.136 -6.434 2.863 328 HB3 PHE 47 HB2 PHE 47 0.419 -7.190 2.647 329 HD1 PHE 47 HD2 PHE 47 0.499 -8.262 0.051 330 HD2 PHE 47 HD1 PHE 47 -1.476 -4.727 1.372 331 HE1 PHE 47 HE2 PHE 47 0.629 -7.342 -2.225 332 HE2 PHE 47 HE1 PHE 47 -1.350 -3.802 -0.904 333 HZ PHE 47 HZ PHE 47 -0.300 -5.106 -2.707 334 HA PRO 48 HA PRO 48 -3.265 -9.972 5.686 335 HB2 PRO 48 HB3 PRO 48 -2.520 -12.564 6.018 336 HB3 PRO 48 HB2 PRO 48 -3.821 -12.067 4.930 337 HG2 PRO 48 HG3 PRO 48 -0.971 -12.740 4.294 338 HG3 PRO 48 HG2 PRO 48 -2.449 -13.204 3.434 339 HD2 PRO 48 HD3 PRO 48 -0.854 -11.185 2.598 340 HD3 PRO 48 HD2 PRO 48 -2.614 -11.171 2.354 341 H GLY 49 H GLY 49 -2.514 -9.358 7.610 342 HA2 GLY 49 HA3 GLY 49 -1.161 -9.537 9.520 343 HA3 GLY 49 HA2 GLY 49 0.033 -10.415 8.580 344 H ALA 50 H ALA 50 -0.403 -8.122 6.513 345 HA ALA 50 HA ALA 50 1.924 -6.676 7.164 346 HB1 ALA 50 HB1 ALA 50 1.214 -5.151 5.311 347 HB2 ALA 50 HB2 ALA 50 1.172 -5.138 5.325 348 HB3 ALA 50 HB3 ALA 50 -0.287 -6.111 5.198 349 H CYS 51 H CYS 51 2.110 -5.374 8.863 350 HA CYS 51 HA CYS 51 -0.189 -3.816 9.771 351 HB2 CYS 51 HB3 CYS 51 1.461 -5.149 11.277 352 HB3 CYS 51 HB2 CYS 51 2.527 -3.770 11.054 353 HG CYS 51 HG CYS 51 1.431 -3.283 13.479 354 H GLY 52 H GLY 52 3.139 -3.310 8.635 355 HA2 GLY 52 HA3 GLY 52 2.392 -0.517 8.047 356 HA3 GLY 52 HA2 GLY 52 3.934 -0.908 8.741 357 H LEU 53 H LEU 53 2.927 0.276 6.088 358 HA LEU 53 HA LEU 53 4.544 -1.472 4.343 359 HB2 LEU 53 HB3 LEU 53 2.389 0.371 3.360 360 HB3 LEU 53 HB2 LEU 53 3.171 -0.948 2.502 361 HG LEU 53 HG LEU 53 1.059 -1.785 2.953 362 HD11 LEU 53 HD11 LEU 53 3.204 -2.982 4.123 363 HD12 LEU 53 HD12 LEU 53 1.592 -3.685 4.011 364 HD13 LEU 53 HD13 LEU 53 2.091 -2.852 5.484 365 HD21 LEU 53 HD21 LEU 53 -0.306 -1.191 4.663 366 HD22 LEU 53 HD22 LEU 53 0.787 0.194 4.736 367 HD23 LEU 53 HD23 LEU 53 1.000 -1.159 5.849 368 H ARG 54 H ARG 54 6.235 -0.584 3.327 369 HA ARG 54 HA ARG 54 6.633 2.317 3.657 370 HB2 ARG 54 HB3 ARG 54 8.282 0.371 4.473 371 HB3 ARG 54 HB2 ARG 54 8.880 0.551 2.833 372 HG2 ARG 54 HG3 ARG 54 9.674 2.666 3.205 373 HG3 ARG 54 HG2 ARG 54 8.522 2.989 4.504 374 HD2 ARG 54 HD3 ARG 54 10.628 0.889 4.840 375 HD3 ARG 54 HD2 ARG 54 11.030 2.593 5.069 376 HE ARG 54 HE ARG 54 8.760 2.121 6.581 377 HH11 ARG 54 HH11 ARG 54 12.044 0.958 6.455 378 HH12 ARG 54 HH12 ARG 54 12.126 0.616 8.154 379 HH21 ARG 54 HH21 ARG 54 8.858 1.673 8.815 380 HH22 ARG 54 HH22 ARG 54 10.313 1.022 9.494 381 H TYR 55 H TYR 55 8.117 3.255 1.882 382 HA TYR 55 HA TYR 55 6.997 2.421 -0.717 383 HB2 TYR 55 HB3 TYR 55 7.767 5.067 0.424 384 HB3 TYR 55 HB2 TYR 55 7.878 4.841 -1.307 385 HD1 TYR 55 HD2 TYR 55 5.583 3.274 -2.011 386 HD2 TYR 55 HD1 TYR 55 5.903 6.345 0.913 387 HE1 TYR 55 HE2 TYR 55 3.174 3.722 -2.227 388 HE2 TYR 55 HE1 TYR 55 3.498 6.801 0.708 389 HH TYR 55 HH TYR 55 1.681 6.055 -1.687 390 H ARG 56 H ARG 56 8.309 1.586 -2.191 391 HA ARG 56 HA ARG 56 11.194 2.156 -2.004 392 HB2 ARG 56 HB3 ARG 56 10.917 -0.058 -1.121 393 HB3 ARG 56 HB2 ARG 56 9.862 -0.517 -2.453 394 HG2 ARG 56 HG3 ARG 56 12.062 -1.491 -2.722 395 HG3 ARG 56 HG2 ARG 56 11.734 -0.331 -4.011 396 HD2 ARG 56 HD3 ARG 56 12.994 1.375 -2.676 397 HD3 ARG 56 HD2 ARG 56 13.456 0.076 -1.570 398 HE ARG 56 HE ARG 56 14.507 0.581 -4.213 399 HH11 ARG 56 HH11 ARG 56 14.046 -1.783 -1.686 400 HH12 ARG 56 HH12 ARG 56 15.359 -2.787 -2.207 401 HH21 ARG 56 HH21 ARG 56 16.238 -0.736 -4.901 402 HH22 ARG 56 HH22 ARG 56 16.606 -2.190 -4.034 403 H ASN 57 H ASN 57 11.509 3.445 -3.720 404 HA ASN 57 HA ASN 57 10.543 2.478 -6.337 405 HB2 ASN 57 HB3 ASN 57 10.088 4.996 -5.056 406 HB3 ASN 57 HB2 ASN 57 11.055 5.261 -6.491 407 HD21 ASN 57 HD21 ASN 57 10.214 3.696 -8.358 408 HD22 ASN 57 HD22 ASN 57 8.515 3.860 -8.667 409 HA PRO 58 HA PRO 58 14.939 2.281 -7.088 410 HB2 PRO 58 HB3 PRO 58 14.724 1.270 -9.602 411 HB3 PRO 58 HB2 PRO 58 14.515 0.290 -8.154 412 HG2 PRO 58 HG3 PRO 58 12.439 1.516 -9.919 413 HG3 PRO 58 HG2 PRO 58 12.480 -0.108 -9.203 414 HD2 PRO 58 HD3 PRO 58 11.005 1.906 -8.156 415 HD3 PRO 58 HD2 PRO 58 11.731 0.649 -7.155 416 H VAL 59 H VAL 59 12.535 3.864 -9.089 417 HA VAL 59 HA VAL 59 14.531 5.300 -10.632 418 HB VAL 59 HB VAL 59 12.557 6.452 -11.646 419 HG11 VAL 59 HG11 VAL 59 12.277 3.450 -11.689 420 HG12 VAL 59 HG12 VAL 59 11.886 4.598 -12.979 421 HG13 VAL 59 HG13 VAL 59 13.570 4.323 -12.519 422 HG21 VAL 59 HG21 VAL 59 11.092 6.231 -9.645 423 HG22 VAL 59 HG22 VAL 59 10.326 5.711 -11.148 424 HG23 VAL 59 HG23 VAL 59 10.933 4.507 -10.004 425 H SER 60 H SER 60 12.472 5.818 -7.867 426 HA SER 60 HA SER 60 12.974 8.682 -7.827 427 HB2 SER 60 HB3 SER 60 11.609 7.060 -5.679 428 HB3 SER 60 HB2 SER 60 11.450 8.788 -6.004 429 HG SER 60 HG SER 60 9.683 7.478 -6.793 430 H GLN 61 H GLN 61 14.139 5.768 -6.323 431 HA GLN 61 HA GLN 61 15.859 5.351 -4.889 432 HB2 GLN 61 HB3 GLN 61 16.778 8.155 -5.549 433 HB3 GLN 61 HB2 GLN 61 17.763 6.837 -4.926 434 HG2 GLN 61 HG3 GLN 61 17.499 5.609 -6.984 435 HG3 GLN 61 HG2 GLN 61 16.393 6.833 -7.608 436 HE21 GLN 61 HE21 GLN 61 17.403 9.134 -7.441 437 HE22 GLN 61 HE22 GLN 61 19.012 9.263 -8.079 438 H CYS 62 H CYS 62 13.375 6.706 -3.965 439 HA CYS 62 HA CYS 62 14.333 8.269 -1.684 440 HB2 CYS 62 HB3 CYS 62 11.687 7.846 -3.003 441 HB3 CYS 62 HB2 CYS 62 11.703 8.287 -1.299 442 HG CYS 62 HG CYS 62 13.087 10.678 -1.682 443 H MET 63 H MET 63 12.928 7.804 0.397 444 HA MET 63 HA MET 63 12.762 4.899 0.837 445 HB2 MET 63 HB3 MET 63 14.387 6.891 2.400 446 HB3 MET 63 HB2 MET 63 13.797 5.415 3.157 447 HG2 MET 63 HG3 MET 63 15.080 4.045 1.759 448 HG3 MET 63 HG2 MET 63 15.383 5.354 0.614 449 HE1 MET 63 HE1 MET 63 17.124 3.196 3.034 450 HE2 MET 63 HE2 MET 63 17.782 4.246 4.291 451 HE3 MET 63 HE3 MET 63 16.039 3.982 4.183 452 H ARG 64 H ARG 64 10.769 7.039 0.465 453 HA ARG 64 HA ARG 64 9.601 7.825 2.888 454 HB2 ARG 64 HB3 ARG 64 9.072 8.307 0.269 455 HB3 ARG 64 HB2 ARG 64 7.753 7.216 0.667 456 HG2 ARG 64 HG3 ARG 64 7.629 8.902 2.769 457 HG3 ARG 64 HG2 ARG 64 8.242 9.987 1.518 458 HD2 ARG 64 HD3 ARG 64 6.367 9.207 0.046 459 HD3 ARG 64 HD2 ARG 64 5.721 8.327 1.431 460 HE ARG 64 HE ARG 64 4.878 10.294 2.216 461 HH11 ARG 64 HH11 ARG 64 7.460 11.000 -0.018 462 HH12 ARG 64 HH12 ARG 64 7.209 12.716 0.031 463 HH21 ARG 64 HH21 ARG 64 4.540 12.548 2.287 464 HH22 ARG 64 HH22 ARG 64 5.548 13.595 1.342 465 H GLY 65 H GLY 65 7.073 7.034 3.118 466 HA2 GLY 65 HA3 GLY 65 6.756 4.182 2.951 467 HA3 GLY 65 HA2 GLY 65 7.111 4.721 4.586 468 H VAL 66 H VAL 66 4.675 3.517 3.277 469 HA VAL 66 HA VAL 66 2.628 5.452 3.121 470 HB VAL 66 HB VAL 66 2.387 2.534 3.886 471 HG11 VAL 66 HG11 VAL 66 0.080 2.730 3.138 472 HG12 VAL 66 HG12 VAL 66 0.402 3.846 4.464 473 HG13 VAL 66 HG13 VAL 66 0.319 4.446 2.808 474 HG21 VAL 66 HG21 VAL 66 2.212 3.884 1.192 475 HG22 VAL 66 HG22 VAL 66 3.508 2.816 1.741 476 HG23 VAL 66 HG23 VAL 66 1.879 2.179 1.509 477 H ARG 67 H ARG 67 1.153 6.209 4.602 478 HA ARG 67 HA ARG 67 1.995 6.050 7.393 479 HB2 ARG 67 HB3 ARG 67 1.558 8.262 6.528 480 HB3 ARG 67 HB2 ARG 67 -0.046 7.779 5.980 481 HG2 ARG 67 HG3 ARG 67 -0.306 9.058 7.966 482 HG3 ARG 67 HG2 ARG 67 -0.654 7.373 8.366 483 HD2 ARG 67 HD3 ARG 67 2.131 7.820 8.738 484 HD3 ARG 67 HD2 ARG 67 1.252 9.124 9.541 485 HE ARG 67 HE ARG 67 -0.072 6.925 10.374 486 HH11 ARG 67 HH11 ARG 67 3.311 7.768 10.300 487 HH12 ARG 67 HH12 ARG 67 3.710 6.823 11.700 488 HH21 ARG 67 HH21 ARG 67 0.442 5.678 12.212 489 HH22 ARG 67 HH22 ARG 67 2.080 5.636 12.786 490 H LEU 68 H LEU 68 0.961 4.946 8.933 491 HA LEU 68 HA LEU 68 -1.588 3.649 8.208 492 HB2 LEU 68 HB3 LEU 68 0.249 2.091 8.595 493 HB3 LEU 68 HB2 LEU 68 0.523 2.795 10.187 494 HG LEU 68 HG LEU 68 -0.727 0.547 10.008 495 HD11 LEU 68 HD11 LEU 68 -0.583 2.371 11.937 496 HD12 LEU 68 HD12 LEU 68 -1.592 0.929 12.076 497 HD13 LEU 68 HD13 LEU 68 -2.317 2.471 11.616 498 HD21 LEU 68 HD21 LEU 68 -3.127 0.713 9.697 499 HD22 LEU 68 HD22 LEU 68 -2.291 1.278 8.253 500 HD23 LEU 68 HD23 LEU 68 -2.994 2.442 9.375 501 H VAL 69 H VAL 69 -3.298 4.562 9.116 502 HA VAL 69 HA VAL 69 -3.138 5.346 11.947 503 HB VAL 69 HB VAL 69 -2.874 7.422 10.723 504 HG11 VAL 69 HG11 VAL 69 -3.946 6.579 8.618 505 HG12 VAL 69 HG12 VAL 69 -5.514 6.857 9.380 506 HG13 VAL 69 HG13 VAL 69 -4.421 8.211 9.088 507 HG21 VAL 69 HG21 VAL 69 -5.726 7.620 11.502 508 HG22 VAL 69 HG22 VAL 69 -4.597 7.034 12.728 509 HG23 VAL 69 HG23 VAL 69 -4.348 8.613 11.979 510 H GLU 70 H GLU 70 -4.727 4.463 13.086 511 HA GLU 70 HA GLU 70 -6.657 3.377 13.624 512 HB2 GLU 70 HB3 GLU 70 -7.820 4.983 11.340 513 HB3 GLU 70 HB2 GLU 70 -8.726 4.214 12.636 514 HG2 GLU 70 HG3 GLU 70 -6.921 6.600 12.775 515 HG3 GLU 70 HG2 GLU 70 -8.623 6.474 13.217 516 H GLY 71 H GLY 71 -4.849 2.335 11.444 517 HA2 GLY 71 HA3 GLY 71 -4.915 0.174 10.506 518 HA3 GLY 71 HA2 GLY 71 -6.672 0.221 10.570 519 H ILE 72 H ILE 72 -6.612 2.960 9.321 520 HA ILE 72 HA ILE 72 -6.668 2.023 6.579 521 HB ILE 72 HB ILE 72 -7.209 4.798 7.648 522 HG12 ILE 72 HG13 ILE 72 -9.618 3.644 6.896 523 HG13 ILE 72 HG12 ILE 72 -8.777 2.331 7.698 524 HG21 ILE 72 HG21 ILE 72 -7.581 5.442 5.553 525 HG22 ILE 72 HG22 ILE 72 -6.832 3.932 5.035 526 HG23 ILE 72 HG23 ILE 72 -8.584 4.028 5.221 527 HD11 ILE 72 HD11 ILE 72 -9.560 3.183 9.591 528 HD12 ILE 72 HD12 ILE 72 -8.371 4.471 9.384 529 HD13 ILE 72 HD13 ILE 72 -10.026 4.696 8.811 530 H LEU 73 H LEU 73 -5.006 2.120 5.235 531 HA LEU 73 HA LEU 73 -2.619 3.582 5.938 532 HB2 LEU 73 HB3 LEU 73 -3.387 1.793 3.651 533 HB3 LEU 73 HB2 LEU 73 -1.874 2.674 3.654 534 HG LEU 73 HG LEU 73 -1.471 0.425 4.376 535 HD11 LEU 73 HD11 LEU 73 -0.406 0.820 6.511 536 HD12 LEU 73 HD12 LEU 73 -1.396 2.257 6.768 537 HD13 LEU 73 HD13 LEU 73 -0.203 2.233 5.472 538 HD21 LEU 73 HD21 LEU 73 -2.559 -0.593 6.248 539 HD22 LEU 73 HD22 LEU 73 -3.807 0.003 5.150 540 HD23 LEU 73 HD23 LEU 73 -3.425 0.897 6.621 541 H HIS 74 H HIS 74 -2.543 5.706 5.629 542 HA HIS 74 HA HIS 74 -4.040 6.947 3.466 543 HB2 HIS 74 HB3 HIS 74 -4.068 8.070 5.607 544 HB3 HIS 74 HB2 HIS 74 -2.315 8.101 5.662 545 HD1 HIS 74 HD1 HIS 74 -4.317 9.068 2.616 546 HD2 HIS 74 HD2 HIS 74 -2.042 10.847 5.610 547 HE1 HIS 74 HE1 HIS 74 -4.035 11.471 1.916 548 HE2 HIS 74 HE2 HIS 74 -2.643 12.556 3.753 549 H ALA 75 H ALA 75 -3.216 7.776 1.625 550 HA ALA 75 HA ALA 75 -0.488 7.066 0.941 551 HB1 ALA 75 HB1 ALA 75 -1.548 8.493 -1.196 552 HB2 ALA 75 HB2 ALA 75 -1.585 8.510 -1.175 553 HB3 ALA 75 HB3 ALA 75 -2.933 7.610 -0.490 554 HA PRO 76 HA PRO 76 1.438 10.975 1.462 555 HB2 PRO 76 HB3 PRO 76 3.070 11.105 -0.708 556 HB3 PRO 76 HB2 PRO 76 3.366 10.017 0.656 557 HG2 PRO 76 HG3 PRO 76 2.127 9.429 -1.996 558 HG3 PRO 76 HG2 PRO 76 3.304 8.483 -1.090 559 HD2 PRO 76 HD3 PRO 76 0.668 7.873 -1.108 560 HD3 PRO 76 HD2 PRO 76 1.701 7.575 0.301 561 H ASP 77 H ASP 77 2.231 12.922 -0.111 562 HA ASP 77 HA ASP 77 -0.232 14.066 -1.081 563 HB2 ASP 77 HB3 ASP 77 1.647 15.289 0.169 564 HB3 ASP 77 HB2 ASP 77 2.510 15.288 -1.370 565 H ALA 78 H ALA 78 1.883 11.969 -2.443 566 HA ALA 78 HA ALA 78 1.586 13.104 -5.147 567 HB1 ALA 78 HB1 ALA 78 3.901 12.528 -4.218 568 HB2 ALA 78 HB2 ALA 78 3.896 12.549 -4.258 569 HB3 ALA 78 HB3 ALA 78 3.474 11.874 -5.828 570 H GLY 79 H GLY 79 0.838 10.380 -3.099 571 HA2 GLY 79 HA3 GLY 79 -1.275 9.243 -3.748 572 HA3 GLY 79 HA2 GLY 79 -0.606 9.150 -5.361 573 H TRP 80 H TRP 80 -1.185 6.828 -4.977 574 HA TRP 80 HA TRP 80 0.563 5.358 -3.197 575 HB2 TRP 80 HB3 TRP 80 -1.509 4.455 -5.210 576 HB3 TRP 80 HB2 TRP 80 -0.579 3.358 -4.208 577 HD1 TRP 80 HD1 TRP 80 -3.749 5.217 -4.232 578 HE1 TRP 80 HE1 TRP 80 -4.842 5.219 -1.896 579 HE3 TRP 80 HE3 TRP 80 0.228 3.554 -1.492 580 HZ2 TRP 80 HZ2 TRP 80 -4.100 4.584 0.752 581 HZ3 TRP 80 HZ3 TRP 80 -0.045 3.275 0.936 582 HH2 TRP 80 HH2 TRP 80 -2.164 3.782 2.033 583 H GLY 81 H GLY 81 -0.028 5.265 -6.724 584 HA2 GLY 81 HA3 GLY 81 1.624 5.251 -8.398 585 HA3 GLY 81 HA2 GLY 81 2.847 4.971 -7.166 586 H ASN 82 H ASN 82 3.587 3.407 -8.842 587 HA ASN 82 HA ASN 82 2.242 0.816 -8.430 588 HB2 ASN 82 HB3 ASN 82 3.680 1.524 -10.982 589 HB3 ASN 82 HB2 ASN 82 2.574 0.184 -10.685 590 HD21 ASN 82 HD21 ASN 82 2.896 3.280 -11.903 591 HD22 ASN 82 HD22 ASN 82 1.212 3.678 -12.054 592 H LEU 83 H LEU 83 4.343 1.849 -6.857 593 HA LEU 83 HA LEU 83 6.725 0.394 -7.772 594 HB2 LEU 83 HB3 LEU 83 7.759 1.499 -5.731 595 HB3 LEU 83 HB2 LEU 83 7.308 2.543 -7.074 596 HG LEU 83 HG LEU 83 6.817 3.328 -4.671 597 HD11 LEU 83 HD11 LEU 83 4.270 3.627 -5.976 598 HD12 LEU 83 HD12 LEU 83 5.588 3.788 -7.140 599 HD13 LEU 83 HD13 LEU 83 5.542 4.819 -5.707 600 HD21 LEU 83 HD21 LEU 83 4.767 2.570 -3.687 601 HD22 LEU 83 HD22 LEU 83 5.794 1.166 -3.975 602 HD23 LEU 83 HD23 LEU 83 4.442 1.512 -5.057 603 H VAL 84 H VAL 84 7.973 -0.406 -5.584 604 HA VAL 84 HA VAL 84 6.203 -2.495 -4.547 605 HB VAL 84 HB VAL 84 9.205 -2.226 -4.273 606 HG11 VAL 84 HG11 VAL 84 7.350 -4.537 -3.704 607 HG12 VAL 84 HG12 VAL 84 9.110 -4.606 -3.650 608 HG13 VAL 84 HG13 VAL 84 8.232 -3.584 -2.513 609 HG21 VAL 84 HG21 VAL 84 9.315 -2.869 -6.400 610 HG22 VAL 84 HG22 VAL 84 8.564 -4.393 -5.925 611 HG23 VAL 84 HG23 VAL 84 7.564 -3.056 -6.492 612 H TYR 85 H TYR 85 5.937 -2.922 -2.352 613 HA TYR 85 HA TYR 85 6.724 -0.712 -0.560 614 HB2 TYR 85 HB3 TYR 85 4.663 -0.781 0.485 615 HB3 TYR 85 HB2 TYR 85 4.205 -1.151 -1.150 616 HD1 TYR 85 HD2 TYR 85 4.659 -2.527 2.217 617 HD2 TYR 85 HD1 TYR 85 3.408 -3.352 -1.763 618 HE1 TYR 85 HE2 TYR 85 3.611 -4.615 2.984 619 HE2 TYR 85 HE1 TYR 85 2.356 -5.442 -1.007 620 HH TYR 85 HH TYR 85 2.322 -6.342 2.423 621 H VAL 86 H VAL 86 7.430 -1.200 1.513 622 HA VAL 86 HA VAL 86 8.424 -3.941 1.831 623 HB VAL 86 HB VAL 86 9.115 -1.427 3.360 624 HG11 VAL 86 HG11 VAL 86 11.122 -3.260 3.785 625 HG12 VAL 86 HG12 VAL 86 9.842 -2.843 4.927 626 HG13 VAL 86 HG13 VAL 86 9.659 -4.244 3.866 627 HG21 VAL 86 HG21 VAL 86 10.644 -0.996 1.804 628 HG22 VAL 86 HG22 VAL 86 11.267 -2.647 1.880 629 HG23 VAL 86 HG23 VAL 86 9.915 -2.263 0.813 630 H VAL 87 H VAL 87 7.639 -5.321 3.295 631 HA VAL 87 HA VAL 87 5.384 -4.495 4.921 632 HB VAL 87 HB VAL 87 6.574 -7.239 5.048 633 HG11 VAL 87 HG11 VAL 87 4.721 -7.552 6.235 634 HG12 VAL 87 HG12 VAL 87 4.134 -5.934 5.843 635 HG13 VAL 87 HG13 VAL 87 3.786 -7.285 4.762 636 HG21 VAL 87 HG21 VAL 87 5.412 -5.931 2.668 637 HG22 VAL 87 HG22 VAL 87 6.533 -7.289 2.787 638 HG23 VAL 87 HG23 VAL 87 4.807 -7.542 3.043 639 H ASN 88 H ASN 88 5.377 -4.164 7.069 640 HA ASN 88 HA ASN 88 7.624 -5.100 8.689 641 HB2 ASN 88 HB3 ASN 88 8.137 -2.952 9.602 642 HB3 ASN 88 HB2 ASN 88 8.156 -2.775 7.849 643 HD21 ASN 88 HD21 ASN 88 6.279 -2.203 10.759 644 HD22 ASN 88 HD22 ASN 88 5.325 -0.908 10.109 645 H TYR 89 H TYR 89 7.047 -5.655 10.721 646 HA TYR 89 HA TYR 89 4.268 -5.062 11.524 647 HB2 TYR 89 HB3 TYR 89 5.847 -7.413 12.538 648 HB3 TYR 89 HB2 TYR 89 4.100 -7.182 12.525 649 HD1 TYR 89 HD2 TYR 89 7.032 -8.090 10.508 650 HD2 TYR 89 HD1 TYR 89 2.799 -7.657 10.545 651 HE1 TYR 89 HE2 TYR 89 6.891 -9.342 8.396 652 HE2 TYR 89 HE1 TYR 89 2.649 -8.910 8.432 653 HH TYR 89 HH TYR 89 5.276 -10.657 7.139 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -8.014 24.028 2.154 2 H2 MET 1 H2 MET 1 -9.324 24.763 1.461 3 H3 MET 1 H3 MET 1 -9.310 24.459 3.086 4 HA MET 1 HA MET 1 -10.704 22.943 1.908 5 HB2 MET 1 HB3 MET 1 -9.575 21.251 0.474 6 HB3 MET 1 HB2 MET 1 -9.527 22.878 -0.198 7 HG2 MET 1 HG3 MET 1 -7.228 22.005 1.459 8 HG3 MET 1 HG2 MET 1 -7.405 21.296 -0.146 9 HE1 MET 1 HE1 MET 1 -4.642 24.175 0.170 10 HE2 MET 1 HE2 MET 1 -5.681 24.565 1.544 11 HE3 MET 1 HE3 MET 1 -5.215 22.889 1.235 12 H ALA 2 H ALA 2 -7.606 22.847 3.469 13 HA ALA 2 HA ALA 2 -7.866 20.191 4.520 14 HB1 ALA 2 HB1 ALA 2 -5.738 21.727 4.170 15 HB2 ALA 2 HB2 ALA 2 -5.738 21.683 4.167 16 HB3 ALA 2 HB3 ALA 2 -5.812 20.516 5.483 17 H GLY 3 H GLY 3 -9.069 19.556 6.181 18 HA2 GLY 3 HA3 GLY 3 -9.305 20.554 8.675 19 HA3 GLY 3 HA2 GLY 3 -10.464 21.535 7.786 20 H SER 4 H SER 4 -12.275 20.503 6.794 21 HA SER 4 HA SER 4 -13.259 18.298 8.379 22 HB2 SER 4 HB3 SER 4 -15.304 18.606 6.841 23 HB3 SER 4 HB2 SER 4 -14.889 19.940 7.920 24 HG SER 4 HG SER 4 -14.634 21.140 6.226 25 H HIS 5 H HIS 5 -13.016 16.230 7.903 26 HA HIS 5 HA HIS 5 -12.487 15.485 5.093 27 HB2 HIS 5 HB3 HIS 5 -11.632 14.046 7.616 28 HB3 HIS 5 HB2 HIS 5 -11.270 13.540 5.966 29 HD1 HIS 5 HD1 HIS 5 -10.645 16.661 5.159 30 HD2 HIS 5 HD2 HIS 5 -8.873 14.342 8.125 31 HE1 HIS 5 HE1 HIS 5 -8.389 17.701 5.577 32 HE2 HIS 5 HE2 HIS 5 -7.308 16.279 7.394 33 H HIS 6 H HIS 6 -14.107 14.478 4.130 34 HA HIS 6 HA HIS 6 -16.238 13.281 5.702 35 HB2 HIS 6 HB3 HIS 6 -15.848 14.008 2.829 36 HB3 HIS 6 HB2 HIS 6 -17.050 12.780 3.225 37 HD1 HIS 6 HD1 HIS 6 -19.298 13.624 3.855 38 HD2 HIS 6 HD2 HIS 6 -16.358 16.540 4.265 39 HE1 HIS 6 HE1 HIS 6 -20.522 15.742 4.453 40 HE2 HIS 6 HE2 HIS 6 -18.719 17.525 4.705 41 H HIS 7 H HIS 7 -16.681 11.150 5.906 42 HA HIS 7 HA HIS 7 -14.888 9.259 4.511 43 HB2 HIS 7 HB3 HIS 7 -15.929 9.025 7.345 44 HB3 HIS 7 HB2 HIS 7 -14.908 7.848 6.519 45 HD1 HIS 7 HD1 HIS 7 -14.461 9.972 9.108 46 HD2 HIS 7 HD2 HIS 7 -12.549 9.762 5.417 47 HE1 HIS 7 HE1 HIS 7 -12.236 11.109 9.429 48 HE2 HIS 7 HE2 HIS 7 -11.069 10.976 7.168 49 H HIS 8 H HIS 8 -16.001 8.056 3.138 50 HA HIS 8 HA HIS 8 -18.857 7.610 3.577 51 HB2 HIS 8 HB3 HIS 8 -17.170 6.791 1.202 52 HB3 HIS 8 HB2 HIS 8 -18.931 6.855 1.285 53 HD1 HIS 8 HD1 HIS 8 -16.852 8.490 -0.639 54 HD2 HIS 8 HD2 HIS 8 -19.099 9.942 2.548 55 HE1 HIS 8 HE1 HIS 8 -17.091 10.965 -1.049 56 HE2 HIS 8 HE2 HIS 8 -18.469 11.849 0.904 57 H HIS 9 H HIS 9 -15.826 5.920 3.678 58 HA HIS 9 HA HIS 9 -15.258 3.795 4.272 59 HB2 HIS 9 HB3 HIS 9 -16.807 4.483 6.201 60 HB3 HIS 9 HB2 HIS 9 -18.032 3.489 5.414 61 HD1 HIS 9 HD1 HIS 9 -18.137 1.201 6.318 62 HD2 HIS 9 HD2 HIS 9 -14.305 2.796 6.605 63 HE1 HIS 9 HE1 HIS 9 -16.750 -0.568 7.455 64 HE2 HIS 9 HE2 HIS 9 -14.404 0.412 7.628 65 H HIS 10 H HIS 10 -16.166 4.105 1.666 66 HA HIS 10 HA HIS 10 -17.095 1.396 1.129 67 HB2 HIS 10 HB3 HIS 10 -19.073 3.121 1.258 68 HB3 HIS 10 HB2 HIS 10 -18.496 3.607 -0.335 69 HD1 HIS 10 HD1 HIS 10 -18.871 1.976 -2.287 70 HD2 HIS 10 HD2 HIS 10 -20.254 0.570 1.379 71 HE1 HIS 10 HE1 HIS 10 -20.288 -0.035 -2.822 72 HE2 HIS 10 HE2 HIS 10 -21.133 -0.894 -0.577 73 H GLY 11 H GLY 11 -16.962 0.876 -1.229 74 HA2 GLY 11 HA3 GLY 11 -14.429 1.490 -2.241 75 HA3 GLY 11 HA2 GLY 11 -15.740 0.777 -3.172 76 H SER 12 H SER 12 -13.635 2.917 -3.704 77 HA SER 12 HA SER 12 -15.505 4.825 -4.934 78 HB2 SER 12 HB3 SER 12 -13.297 5.421 -3.028 79 HB3 SER 12 HB2 SER 12 -13.488 6.512 -4.404 80 HG SER 12 HG SER 12 -15.333 7.213 -3.616 81 H MET 13 H MET 13 -14.499 6.084 -6.698 82 HA MET 13 HA MET 13 -12.448 4.466 -8.073 83 HB2 MET 13 HB3 MET 13 -14.850 5.956 -9.066 84 HB3 MET 13 HB2 MET 13 -13.473 5.726 -10.137 85 HG2 MET 13 HG3 MET 13 -14.721 3.904 -10.678 86 HG3 MET 13 HG2 MET 13 -13.706 3.226 -9.404 87 HE1 MET 13 HE1 MET 13 -16.766 3.563 -10.936 88 HE2 MET 13 HE2 MET 13 -17.951 2.841 -9.844 89 HE3 MET 13 HE3 MET 13 -17.716 4.592 -9.860 90 H SER 14 H SER 14 -12.073 6.717 -6.164 91 HA SER 14 HA SER 14 -11.299 9.042 -7.593 92 HB2 SER 14 HB3 SER 14 -11.628 9.462 -5.335 93 HB3 SER 14 HB2 SER 14 -10.801 7.984 -4.832 94 HG SER 14 HG SER 14 -9.651 10.053 -4.514 95 H GLU 15 H GLU 15 -9.135 6.804 -5.846 96 HA GLU 15 HA GLU 15 -7.351 6.710 -8.152 97 HB2 GLU 15 HB3 GLU 15 -6.737 8.113 -5.591 98 HB3 GLU 15 HB2 GLU 15 -5.445 7.199 -6.362 99 HG2 GLU 15 HG3 GLU 15 -7.035 9.424 -7.627 100 HG3 GLU 15 HG2 GLU 15 -5.387 9.543 -7.008 101 H TYR 16 H TYR 16 -6.459 4.757 -8.366 102 HA TYR 16 HA TYR 16 -6.962 2.773 -6.304 103 HB2 TYR 16 HB3 TYR 16 -6.087 1.171 -7.999 104 HB3 TYR 16 HB2 TYR 16 -7.430 2.140 -8.592 105 HD1 TYR 16 HD1 TYR 16 -3.781 1.627 -8.786 106 HD2 TYR 16 HD2 TYR 16 -7.145 3.670 -10.413 107 HE1 TYR 16 HE1 TYR 16 -2.422 2.327 -10.710 108 HE2 TYR 16 HE2 TYR 16 -5.792 4.373 -12.342 109 HH TYR 16 HH TYR 16 -3.533 4.667 -12.999 110 H ILE 17 H ILE 17 -5.245 1.222 -5.696 111 HA ILE 17 HA ILE 17 -2.650 2.605 -5.404 112 HB ILE 17 HB ILE 17 -3.576 2.438 -3.238 113 HG12 ILE 17 HG13 ILE 17 -1.691 0.122 -3.685 114 HG13 ILE 17 HG12 ILE 17 -1.241 1.765 -3.312 115 HG21 ILE 17 HG21 ILE 17 -4.200 -0.452 -3.824 116 HG22 ILE 17 HG22 ILE 17 -4.510 0.389 -2.305 117 HG23 ILE 17 HG23 ILE 17 -5.371 0.867 -3.765 118 HD11 ILE 17 HD11 ILE 17 -2.295 1.563 -1.123 119 HD12 ILE 17 HD12 ILE 17 -2.737 -0.104 -1.497 120 HD13 ILE 17 HD13 ILE 17 -1.039 0.350 -1.361 121 H ARG 18 H ARG 18 -0.945 1.667 -6.305 122 HA ARG 18 HA ARG 18 -1.104 -1.214 -6.930 123 HB2 ARG 18 HB3 ARG 18 -0.472 1.088 -8.621 124 HB3 ARG 18 HB2 ARG 18 0.737 -0.177 -8.698 125 HG2 ARG 18 HG3 ARG 18 -1.670 -1.535 -8.879 126 HG3 ARG 18 HG2 ARG 18 -1.907 -0.077 -9.846 127 HD2 ARG 18 HD3 ARG 18 0.645 -0.963 -10.517 128 HD3 ARG 18 HD2 ARG 18 -0.321 -2.437 -10.401 129 HE ARG 18 HE ARG 18 -1.890 -0.840 -11.896 130 HH11 ARG 18 HH11 ARG 18 1.486 -1.683 -12.112 131 HH12 ARG 18 HH12 ARG 18 1.548 -1.527 -13.838 132 HH21 ARG 18 HH21 ARG 18 -1.818 -0.632 -14.165 133 HH22 ARG 18 HH22 ARG 18 -0.330 -0.929 -15.005 134 H VAL 19 H VAL 19 0.125 -2.189 -5.443 135 HA VAL 19 HA VAL 19 2.948 -1.485 -5.318 136 HB VAL 19 HB VAL 19 2.945 -1.595 -2.818 137 HG11 VAL 19 HG11 VAL 19 2.784 0.528 -4.391 138 HG12 VAL 19 HG12 VAL 19 1.251 0.736 -3.541 139 HG13 VAL 19 HG13 VAL 19 2.768 0.670 -2.632 140 HG21 VAL 19 HG21 VAL 19 0.328 -2.397 -3.137 141 HG22 VAL 19 HG22 VAL 19 1.085 -1.913 -1.620 142 HG23 VAL 19 HG23 VAL 19 0.177 -0.737 -2.569 143 H THR 20 H THR 20 4.285 -3.169 -4.667 144 HA THR 20 HA THR 20 2.936 -5.775 -4.305 145 HB THR 20 HB THR 20 3.826 -6.097 -6.398 146 HG1 THR 20 HG1 THR 20 6.230 -6.619 -4.991 147 HG21 THR 20 HG21 THR 20 4.828 -4.033 -6.879 148 HG22 THR 20 HG22 THR 20 6.157 -5.189 -6.994 149 HG23 THR 20 HG23 THR 20 5.984 -4.184 -5.555 150 H GLU 21 H GLU 21 4.053 -7.354 -3.049 151 HA GLU 21 HA GLU 21 5.390 -6.227 -0.781 152 HB2 GLU 21 HB3 GLU 21 3.816 -8.284 -0.894 153 HB3 GLU 21 HB2 GLU 21 5.243 -9.167 -1.379 154 HG2 GLU 21 HG3 GLU 21 5.996 -7.701 0.875 155 HG3 GLU 21 HG2 GLU 21 4.407 -8.343 1.241 156 H ASP 22 H ASP 22 6.381 -8.468 -3.365 157 HA ASP 22 HA ASP 22 9.187 -7.857 -2.683 158 HB2 ASP 22 HB3 ASP 22 7.878 -10.369 -3.681 159 HB3 ASP 22 HB2 ASP 22 9.589 -10.077 -3.991 160 H GLU 23 H GLU 23 10.618 -7.334 -4.315 161 HA GLU 23 HA GLU 23 9.557 -5.989 -6.558 162 HB2 GLU 23 HB3 GLU 23 11.846 -5.630 -7.230 163 HB3 GLU 23 HB2 GLU 23 11.732 -5.451 -5.483 164 HG2 GLU 23 HG3 GLU 23 12.413 -7.988 -5.502 165 HG3 GLU 23 HG2 GLU 23 13.052 -7.575 -7.095 166 H ASN 24 H ASN 24 10.526 -9.272 -6.048 167 HA ASN 24 HA ASN 24 10.913 -9.956 -8.797 168 HB2 ASN 24 HB3 ASN 24 10.616 -11.485 -6.239 169 HB3 ASN 24 HB2 ASN 24 10.465 -12.345 -7.770 170 HD21 ASN 24 HD21 ASN 24 12.400 -13.315 -6.476 171 HD22 ASN 24 HD22 ASN 24 13.955 -12.701 -6.944 172 H ASP 25 H ASP 25 8.162 -9.689 -6.701 173 HA ASP 25 HA ASP 25 6.428 -11.164 -8.520 174 HB2 ASP 25 HB3 ASP 25 6.318 -11.045 -5.887 175 HB3 ASP 25 HB2 ASP 25 5.395 -9.576 -6.201 176 H GLU 26 H GLU 26 4.234 -10.051 -8.980 177 HA GLU 26 HA GLU 26 4.858 -7.555 -10.352 178 HB2 GLU 26 HB3 GLU 26 2.566 -9.502 -10.482 179 HB3 GLU 26 HB2 GLU 26 2.459 -7.915 -11.238 180 HG2 GLU 26 HG3 GLU 26 3.175 -9.191 -12.993 181 HG3 GLU 26 HG2 GLU 26 4.712 -8.603 -12.354 182 HA PRO 27 HA PRO 27 2.835 -4.866 -7.531 183 HB2 PRO 27 HB3 PRO 27 1.863 -2.984 -9.215 184 HB3 PRO 27 HB2 PRO 27 3.576 -3.133 -8.842 185 HG2 PRO 27 HG3 PRO 27 2.068 -4.126 -11.235 186 HG3 PRO 27 HG2 PRO 27 3.653 -3.330 -11.162 187 HD2 PRO 27 HD3 PRO 27 3.379 -6.012 -11.432 188 HD3 PRO 27 HD2 PRO 27 4.742 -5.273 -10.560 189 H ILE 28 H ILE 28 1.042 -5.478 -6.495 190 HA ILE 28 HA ILE 28 -1.285 -6.456 -7.833 191 HB ILE 28 HB ILE 28 -2.196 -6.868 -5.734 192 HG12 ILE 28 HG13 ILE 28 -0.850 -5.572 -3.738 193 HG13 ILE 28 HG12 ILE 28 -0.836 -4.357 -5.009 194 HG21 ILE 28 HG21 ILE 28 -0.022 -8.034 -6.152 195 HG22 ILE 28 HG22 ILE 28 0.756 -6.824 -5.128 196 HG23 ILE 28 HG23 ILE 28 -0.469 -7.900 -4.449 197 HD11 ILE 28 HD11 ILE 28 -2.833 -4.710 -3.216 198 HD12 ILE 28 HD12 ILE 28 -3.014 -3.932 -4.791 199 HD13 ILE 28 HD13 ILE 28 -3.433 -5.632 -4.595 200 H GLU 29 H GLU 29 -3.474 -5.559 -7.489 201 HA GLU 29 HA GLU 29 -3.517 -2.629 -7.244 202 HB2 GLU 29 HB3 GLU 29 -5.070 -2.513 -9.192 203 HB3 GLU 29 HB2 GLU 29 -3.431 -3.001 -9.615 204 HG2 GLU 29 HG3 GLU 29 -4.240 -4.786 -10.630 205 HG3 GLU 29 HG2 GLU 29 -4.858 -5.371 -9.085 206 H ILE 30 H ILE 30 -4.814 -2.237 -5.582 207 HA ILE 30 HA ILE 30 -7.365 -3.718 -5.430 208 HB ILE 30 HB ILE 30 -7.196 -3.355 -2.912 209 HG12 ILE 30 HG13 ILE 30 -4.303 -2.903 -3.670 210 HG13 ILE 30 HG12 ILE 30 -5.371 -1.755 -2.892 211 HG21 ILE 30 HG21 ILE 30 -6.790 -5.537 -2.933 212 HG22 ILE 30 HG22 ILE 30 -6.222 -5.400 -4.599 213 HG23 ILE 30 HG23 ILE 30 -5.084 -5.239 -3.261 214 HD11 ILE 30 HD11 ILE 30 -4.684 -2.480 -0.930 215 HD12 ILE 30 HD12 ILE 30 -5.377 -4.062 -1.292 216 HD13 ILE 30 HD13 ILE 30 -3.699 -3.718 -1.709 217 HA PRO 31 HA PRO 31 -9.409 0.164 -5.265 218 HB2 PRO 31 HB3 PRO 31 -11.516 -0.410 -3.645 219 HB3 PRO 31 HB2 PRO 31 -11.387 -1.009 -5.307 220 HG2 PRO 31 HG3 PRO 31 -10.762 -2.407 -2.731 221 HG3 PRO 31 HG2 PRO 31 -11.612 -3.023 -4.163 222 HD2 PRO 31 HD3 PRO 31 -9.013 -3.588 -3.658 223 HD3 PRO 31 HD2 PRO 31 -9.651 -3.430 -5.308 224 H SER 32 H SER 32 -9.513 2.027 -4.074 225 HA SER 32 HA SER 32 -8.650 1.837 -1.255 226 HB2 SER 32 HB3 SER 32 -6.984 3.283 -1.658 227 HB3 SER 32 HB2 SER 32 -7.329 3.102 -3.378 228 HG SER 32 HG SER 32 -7.444 5.303 -2.143 229 H GLU 33 H GLU 33 -9.187 3.940 -0.038 230 HA GLU 33 HA GLU 33 -12.010 4.241 -0.052 231 HB2 GLU 33 HB3 GLU 33 -9.804 5.715 1.387 232 HB3 GLU 33 HB2 GLU 33 -11.504 6.103 1.615 233 HG2 GLU 33 HG3 GLU 33 -10.157 3.479 2.216 234 HG3 GLU 33 HG2 GLU 33 -10.761 4.657 3.382 235 H ASP 34 H ASP 34 -12.801 6.705 0.202 236 HA ASP 34 HA ASP 34 -12.641 7.776 -2.449 237 HB2 ASP 34 HB3 ASP 34 -14.161 9.524 -1.590 238 HB3 ASP 34 HB2 ASP 34 -14.721 7.902 -1.182 239 H ASP 35 H ASP 35 -11.452 8.801 0.730 240 HA ASP 35 HA ASP 35 -10.356 11.264 -0.128 241 HB2 ASP 35 HB3 ASP 35 -10.803 10.270 2.285 242 HB3 ASP 35 HB2 ASP 35 -9.124 9.749 2.136 243 H GLY 36 H GLY 36 -9.361 8.040 -0.609 244 HA2 GLY 36 HA3 GLY 36 -7.629 7.777 -2.343 245 HA3 GLY 36 HA2 GLY 36 -6.706 8.999 -1.496 246 H THR 37 H THR 37 -7.570 7.773 1.120 247 HA THR 37 HA THR 37 -5.290 6.181 1.555 248 HB THR 37 HB THR 37 -6.195 5.690 3.741 249 HG1 THR 37 HG1 THR 37 -8.630 6.967 3.136 250 HG21 THR 37 HG21 THR 37 -6.068 8.346 2.639 251 HG22 THR 37 HG22 THR 37 -5.609 7.780 4.247 252 HG23 THR 37 HG23 THR 37 -7.272 8.277 3.931 253 H VAL 38 H VAL 38 -5.898 3.954 2.903 254 HA VAL 38 HA VAL 38 -7.579 2.306 1.139 255 HB VAL 38 HB VAL 38 -4.707 1.745 1.869 256 HG11 VAL 38 HG11 VAL 38 -5.324 -0.421 0.471 257 HG12 VAL 38 HG12 VAL 38 -5.513 -0.354 2.226 258 HG13 VAL 38 HG13 VAL 38 -6.914 -0.119 1.174 259 HG21 VAL 38 HG21 VAL 38 -4.258 1.802 -0.401 260 HG22 VAL 38 HG22 VAL 38 -5.942 1.516 -0.848 261 HG23 VAL 38 HG23 VAL 38 -5.448 3.089 -0.221 262 H LEU 39 H LEU 39 -8.983 1.175 2.299 263 HA LEU 39 HA LEU 39 -8.988 1.116 5.108 264 HB2 LEU 39 HB3 LEU 39 -10.843 0.649 3.265 265 HB3 LEU 39 HB2 LEU 39 -10.390 -1.023 3.590 266 HG LEU 39 HG LEU 39 -10.857 -0.492 6.046 267 HD11 LEU 39 HD11 LEU 39 -12.784 1.560 5.298 268 HD12 LEU 39 HD12 LEU 39 -11.109 2.081 5.104 269 HD13 LEU 39 HD13 LEU 39 -11.674 1.488 6.669 270 HD21 LEU 39 HD21 LEU 39 -12.330 -1.711 4.273 271 HD22 LEU 39 HD22 LEU 39 -13.336 -0.267 4.391 272 HD23 LEU 39 HD23 LEU 39 -13.024 -1.248 5.828 273 H LEU 40 H LEU 40 -8.540 -0.507 6.598 274 HA LEU 40 HA LEU 40 -6.265 -2.083 6.092 275 HB2 LEU 40 HB3 LEU 40 -7.143 -1.218 8.317 276 HB3 LEU 40 HB2 LEU 40 -8.259 -2.581 8.290 277 HG LEU 40 HG LEU 40 -6.195 -2.892 9.689 278 HD11 LEU 40 HD11 LEU 40 -6.412 -5.100 9.403 279 HD12 LEU 40 HD12 LEU 40 -5.958 -5.022 7.700 280 HD13 LEU 40 HD13 LEU 40 -7.619 -4.678 8.186 281 HD21 LEU 40 HD21 LEU 40 -4.126 -2.766 8.844 282 HD22 LEU 40 HD22 LEU 40 -4.874 -1.885 7.513 283 HD23 LEU 40 HD23 LEU 40 -4.575 -3.616 7.363 284 H SER 41 H SER 41 -9.696 -2.800 5.958 285 HA SER 41 HA SER 41 -9.546 -5.604 5.877 286 HB2 SER 41 HB3 SER 41 -11.606 -3.967 6.023 287 HB3 SER 41 HB2 SER 41 -11.607 -4.140 4.266 288 HG SER 41 HG SER 41 -12.622 -5.940 4.611 289 H THR 42 H THR 42 -8.885 -3.185 3.476 290 HA THR 42 HA THR 42 -8.880 -5.112 1.291 291 HB THR 42 HB THR 42 -7.970 -2.234 1.176 292 HG1 THR 42 HG1 THR 42 -10.562 -3.368 1.109 293 HG21 THR 42 HG21 THR 42 -8.953 -4.187 -0.909 294 HG22 THR 42 HG22 THR 42 -7.322 -3.532 -0.750 295 HG23 THR 42 HG23 THR 42 -8.655 -2.473 -1.204 296 H VAL 43 H VAL 43 -6.655 -3.603 3.482 297 HA VAL 43 HA VAL 43 -4.270 -3.974 1.977 298 HB VAL 43 HB VAL 43 -4.825 -3.583 4.910 299 HG11 VAL 43 HG11 VAL 43 -2.213 -3.282 4.945 300 HG12 VAL 43 HG12 VAL 43 -2.947 -4.872 5.183 301 HG13 VAL 43 HG13 VAL 43 -2.283 -4.428 3.608 302 HG21 VAL 43 HG21 VAL 43 -3.042 -1.673 3.924 303 HG22 VAL 43 HG22 VAL 43 -4.223 -1.909 2.635 304 HG23 VAL 43 HG23 VAL 43 -4.763 -1.455 4.253 305 H THR 44 H THR 44 -5.990 -5.988 4.321 306 HA THR 44 HA THR 44 -3.986 -8.024 4.423 307 HB THR 44 HB THR 44 -5.589 -9.348 5.638 308 HG1 THR 44 HG1 THR 44 -7.460 -7.551 4.495 309 HG21 THR 44 HG21 THR 44 -6.583 -6.970 6.867 310 HG22 THR 44 HG22 THR 44 -4.924 -6.678 6.333 311 HG23 THR 44 HG23 THR 44 -5.281 -8.032 7.409 312 H ALA 45 H ALA 45 -6.291 -7.169 2.095 313 HA ALA 45 HA ALA 45 -7.072 -9.656 1.062 314 HB1 ALA 45 HB1 ALA 45 -7.975 -8.496 -0.693 315 HB2 ALA 45 HB2 ALA 45 -7.938 -8.498 -0.720 316 HB3 ALA 45 HB3 ALA 45 -6.593 -7.365 -0.783 317 H GLN 46 H GLN 46 -4.309 -7.578 0.206 318 HA GLN 46 HA GLN 46 -3.138 -9.880 -1.222 319 HB2 GLN 46 HB3 GLN 46 -2.673 -6.919 -1.628 320 HB3 GLN 46 HB2 GLN 46 -1.798 -8.190 -2.460 321 HG2 GLN 46 HG3 GLN 46 -4.663 -7.389 -2.741 322 HG3 GLN 46 HG2 GLN 46 -3.419 -7.529 -3.984 323 HE21 GLN 46 HE21 GLN 46 -6.180 -8.786 -3.343 324 HE22 GLN 46 HE22 GLN 46 -5.920 -10.469 -3.678 325 H PHE 47 H PHE 47 -2.815 -7.735 1.416 326 HA PHE 47 HA PHE 47 -0.096 -8.780 1.924 327 HB2 PHE 47 HB3 PHE 47 -0.934 -6.138 3.040 328 HB3 PHE 47 HB2 PHE 47 0.660 -6.723 2.659 329 HD1 PHE 47 HD1 PHE 47 0.611 -7.486 -0.077 330 HD2 PHE 47 HD2 PHE 47 -1.420 -4.257 1.817 331 HE1 PHE 47 HE1 PHE 47 0.539 -6.282 -2.215 332 HE2 PHE 47 HE2 PHE 47 -1.499 -3.045 -0.321 333 HZ PHE 47 HZ PHE 47 -0.527 -4.055 -2.343 334 HA PRO 48 HA PRO 48 -2.961 -10.029 5.353 335 HB2 PRO 48 HB3 PRO 48 -2.027 -12.575 5.509 336 HB3 PRO 48 HB2 PRO 48 -3.309 -12.088 4.395 337 HG2 PRO 48 HG3 PRO 48 -0.387 -12.485 3.867 338 HG3 PRO 48 HG2 PRO 48 -1.780 -12.982 2.890 339 HD2 PRO 48 HD3 PRO 48 -0.314 -10.782 2.312 340 HD3 PRO 48 HD2 PRO 48 -2.055 -10.882 1.975 341 H GLY 49 H GLY 49 -2.421 -9.816 7.449 342 HA2 GLY 49 HA3 GLY 49 -1.140 -9.794 9.365 343 HA3 GLY 49 HA2 GLY 49 0.064 -10.746 8.525 344 H ALA 50 H ALA 50 -0.661 -8.024 6.729 345 HA ALA 50 HA ALA 50 1.883 -6.815 7.415 346 HB1 ALA 50 HB1 ALA 50 -0.195 -6.106 5.338 347 HB2 ALA 50 HB2 ALA 50 -0.187 -6.148 5.333 348 HB3 ALA 50 HB3 ALA 50 1.356 -6.959 5.089 349 H CYS 51 H CYS 51 2.150 -5.248 8.844 350 HA CYS 51 HA CYS 51 -0.216 -3.781 9.788 351 HB2 CYS 51 HB3 CYS 51 2.405 -4.523 11.000 352 HB3 CYS 51 HB2 CYS 51 1.627 -3.051 11.560 353 HG CYS 51 HG CYS 51 0.880 -4.829 13.444 354 H GLY 52 H GLY 52 3.199 -3.180 8.940 355 HA2 GLY 52 HA3 GLY 52 2.394 -0.447 8.162 356 HA3 GLY 52 HA2 GLY 52 3.913 -0.782 8.936 357 H LEU 53 H LEU 53 2.866 0.221 6.163 358 HA LEU 53 HA LEU 53 4.638 -1.505 4.551 359 HB2 LEU 53 HB3 LEU 53 2.453 0.264 3.481 360 HB3 LEU 53 HB2 LEU 53 3.340 -0.993 2.629 361 HG LEU 53 HG LEU 53 1.289 -1.987 2.984 362 HD11 LEU 53 HD11 LEU 53 2.339 -2.908 5.590 363 HD12 LEU 53 HD12 LEU 53 3.403 -3.092 4.196 364 HD13 LEU 53 HD13 LEU 53 1.802 -3.833 4.189 365 HD21 LEU 53 HD21 LEU 53 -0.170 -1.615 4.746 366 HD22 LEU 53 HD22 LEU 53 0.628 -0.049 4.574 367 HD23 LEU 53 HD23 LEU 53 1.121 -1.155 5.857 368 H ARG 54 H ARG 54 6.280 -0.601 3.424 369 HA ARG 54 HA ARG 54 6.688 2.293 3.804 370 HB2 ARG 54 HB3 ARG 54 8.354 0.337 4.550 371 HB3 ARG 54 HB2 ARG 54 8.914 0.542 2.900 372 HG2 ARG 54 HG3 ARG 54 9.636 2.712 3.276 373 HG3 ARG 54 HG2 ARG 54 8.616 2.909 4.704 374 HD2 ARG 54 HD3 ARG 54 10.696 2.640 5.656 375 HD3 ARG 54 HD2 ARG 54 10.084 0.983 5.672 376 HE ARG 54 HE ARG 54 11.473 1.361 3.277 377 HH11 ARG 54 HH11 ARG 54 12.108 1.268 6.704 378 HH12 ARG 54 HH12 ARG 54 13.735 0.695 6.519 379 HH21 ARG 54 HH21 ARG 54 13.609 0.605 3.024 380 HH22 ARG 54 HH22 ARG 54 14.587 0.318 4.426 381 H TYR 55 H TYR 55 8.114 3.275 2.015 382 HA TYR 55 HA TYR 55 6.979 2.447 -0.580 383 HB2 TYR 55 HB3 TYR 55 7.651 5.116 0.584 384 HB3 TYR 55 HB2 TYR 55 7.706 4.909 -1.155 385 HD1 TYR 55 HD1 TYR 55 5.473 3.294 -1.844 386 HD2 TYR 55 HD2 TYR 55 5.737 6.248 1.204 387 HE1 TYR 55 HE1 TYR 55 3.040 3.626 -1.968 388 HE2 TYR 55 HE2 TYR 55 3.306 6.588 1.093 389 HH TYR 55 HH TYR 55 1.289 5.261 0.373 390 H ARG 56 H ARG 56 8.313 1.723 -2.095 391 HA ARG 56 HA ARG 56 11.171 2.419 -1.912 392 HB2 ARG 56 HB3 ARG 56 10.952 0.156 -1.095 393 HB3 ARG 56 HB2 ARG 56 9.972 -0.296 -2.484 394 HG2 ARG 56 HG3 ARG 56 12.233 -1.145 -2.702 395 HG3 ARG 56 HG2 ARG 56 11.885 0.047 -3.960 396 HD2 ARG 56 HD3 ARG 56 13.009 1.763 -2.533 397 HD3 ARG 56 HD2 ARG 56 13.485 0.461 -1.438 398 HE ARG 56 HE ARG 56 14.289 -0.102 -4.107 399 HH11 ARG 56 HH11 ARG 56 15.087 1.849 -1.328 400 HH12 ARG 56 HH12 ARG 56 16.768 1.969 -1.733 401 HH21 ARG 56 HH21 ARG 56 16.500 0.048 -4.644 402 HH22 ARG 56 HH22 ARG 56 17.572 0.946 -3.619 403 H ASN 57 H ASN 57 11.546 3.689 -3.608 404 HA ASN 57 HA ASN 57 10.529 2.814 -6.238 405 HB2 ASN 57 HB3 ASN 57 10.143 5.327 -4.875 406 HB3 ASN 57 HB2 ASN 57 10.995 5.580 -6.384 407 HD21 ASN 57 HD21 ASN 57 9.979 3.856 -8.102 408 HD22 ASN 57 HD22 ASN 57 8.272 4.084 -8.305 409 HA PRO 58 HA PRO 58 14.935 2.670 -6.992 410 HB2 PRO 58 HB3 PRO 58 14.722 1.619 -9.489 411 HB3 PRO 58 HB2 PRO 58 14.547 0.655 -8.026 412 HG2 PRO 58 HG3 PRO 58 12.430 1.810 -9.791 413 HG3 PRO 58 HG2 PRO 58 12.512 0.198 -9.051 414 HD2 PRO 58 HD3 PRO 58 11.001 2.194 -8.021 415 HD3 PRO 58 HD2 PRO 58 11.764 0.967 -7.007 416 H VAL 59 H VAL 59 12.478 4.189 -8.969 417 HA VAL 59 HA VAL 59 14.425 5.635 -10.568 418 HB VAL 59 HB VAL 59 12.426 6.740 -11.569 419 HG11 VAL 59 HG11 VAL 59 11.727 3.883 -11.735 420 HG12 VAL 59 HG12 VAL 59 12.159 5.029 -13.009 421 HG13 VAL 59 HG13 VAL 59 13.421 4.264 -12.037 422 HG21 VAL 59 HG21 VAL 59 10.519 6.764 -10.426 423 HG22 VAL 59 HG22 VAL 59 10.369 5.028 -10.709 424 HG23 VAL 59 HG23 VAL 59 11.159 5.615 -9.246 425 H SER 60 H SER 60 12.382 6.168 -7.785 426 HA SER 60 HA SER 60 12.826 9.033 -7.784 427 HB2 SER 60 HB3 SER 60 10.696 7.864 -6.979 428 HB3 SER 60 HB2 SER 60 11.620 7.421 -5.541 429 HG SER 60 HG SER 60 10.727 9.318 -4.992 430 H GLN 61 H GLN 61 14.151 6.179 -6.297 431 HA GLN 61 HA GLN 61 15.967 5.842 -4.965 432 HB2 GLN 61 HB3 GLN 61 16.748 8.707 -5.493 433 HB3 GLN 61 HB2 GLN 61 17.797 7.346 -5.118 434 HG2 GLN 61 HG3 GLN 61 16.725 6.414 -7.369 435 HG3 GLN 61 HG2 GLN 61 16.548 8.142 -7.682 436 HE21 GLN 61 HE21 GLN 61 18.034 7.775 -9.434 437 HE22 GLN 61 HE22 GLN 61 19.741 7.728 -9.121 438 H CYS 62 H CYS 62 13.447 7.024 -3.918 439 HA CYS 62 HA CYS 62 14.457 8.508 -1.590 440 HB2 CYS 62 HB3 CYS 62 11.697 8.150 -2.755 441 HB3 CYS 62 HB2 CYS 62 11.953 8.829 -1.150 442 HG CYS 62 HG CYS 62 11.534 11.035 -2.648 443 H MET 63 H MET 63 13.022 7.990 0.458 444 HA MET 63 HA MET 63 12.715 5.078 0.734 445 HB2 MET 63 HB3 MET 63 13.898 5.104 2.874 446 HB3 MET 63 HB2 MET 63 14.950 5.647 1.569 447 HG2 MET 63 HG3 MET 63 14.338 8.011 2.259 448 HG3 MET 63 HG2 MET 63 13.643 7.293 3.712 449 HE1 MET 63 HE1 MET 63 14.983 6.774 5.814 450 HE2 MET 63 HE2 MET 63 16.515 7.638 5.977 451 HE3 MET 63 HE3 MET 63 15.073 8.493 5.419 452 H ARG 64 H ARG 64 10.682 6.994 0.403 453 HA ARG 64 HA ARG 64 9.581 7.936 2.812 454 HB2 ARG 64 HB3 ARG 64 8.949 8.215 0.184 455 HB3 ARG 64 HB2 ARG 64 7.677 7.120 0.709 456 HG2 ARG 64 HG3 ARG 64 7.555 8.937 2.685 457 HG3 ARG 64 HG2 ARG 64 8.133 9.957 1.364 458 HD2 ARG 64 HD3 ARG 64 6.078 8.323 0.311 459 HD3 ARG 64 HD2 ARG 64 5.495 8.952 1.852 460 HE ARG 64 HE ARG 64 5.383 11.043 0.923 461 HH11 ARG 64 HH11 ARG 64 7.304 8.973 -1.122 462 HH12 ARG 64 HH12 ARG 64 7.403 10.124 -2.415 463 HH21 ARG 64 HH21 ARG 64 5.509 12.563 -0.771 464 HH22 ARG 64 HH22 ARG 64 6.384 12.166 -2.214 465 H GLY 65 H GLY 65 7.084 7.080 3.172 466 HA2 GLY 65 HA3 GLY 65 6.918 4.198 3.245 467 HA3 GLY 65 HA2 GLY 65 7.206 4.920 4.822 468 H VAL 66 H VAL 66 4.860 3.524 3.326 469 HA VAL 66 HA VAL 66 2.733 5.336 3.095 470 HB VAL 66 HB VAL 66 2.488 2.461 3.994 471 HG11 VAL 66 HG11 VAL 66 0.605 4.187 2.392 472 HG12 VAL 66 HG12 VAL 66 0.312 2.542 2.968 473 HG13 VAL 66 HG13 VAL 66 0.453 3.872 4.120 474 HG21 VAL 66 HG21 VAL 66 3.552 3.524 1.547 475 HG22 VAL 66 HG22 VAL 66 3.391 1.842 2.055 476 HG23 VAL 66 HG23 VAL 66 2.057 2.646 1.227 477 H ARG 67 H ARG 67 1.330 6.231 4.508 478 HA ARG 67 HA ARG 67 2.010 6.103 7.325 479 HB2 ARG 67 HB3 ARG 67 1.530 8.278 6.421 480 HB3 ARG 67 HB2 ARG 67 -0.014 7.728 5.774 481 HG2 ARG 67 HG3 ARG 67 -0.410 9.048 7.733 482 HG3 ARG 67 HG2 ARG 67 -0.807 7.365 8.089 483 HD2 ARG 67 HD3 ARG 67 1.737 7.346 8.874 484 HD3 ARG 67 HD2 ARG 67 1.404 9.063 9.112 485 HE ARG 67 HE ARG 67 -0.574 7.309 10.267 486 HH11 ARG 67 HH11 ARG 67 2.467 8.941 10.758 487 HH12 ARG 67 HH12 ARG 67 2.338 8.937 12.487 488 HH21 ARG 67 HH21 ARG 67 -0.752 7.299 12.540 489 HH22 ARG 67 HH22 ARG 67 0.507 8.002 13.500 490 H LEU 68 H LEU 68 0.816 5.218 8.941 491 HA LEU 68 HA LEU 68 -1.624 3.761 8.142 492 HB2 LEU 68 HB3 LEU 68 0.219 2.232 8.590 493 HB3 LEU 68 HB2 LEU 68 0.467 2.973 10.172 494 HG LEU 68 HG LEU 68 -0.759 0.703 10.009 495 HD11 LEU 68 HD11 LEU 68 -0.575 2.421 11.957 496 HD12 LEU 68 HD12 LEU 68 -1.762 1.118 12.046 497 HD13 LEU 68 HD13 LEU 68 -2.270 2.744 11.590 498 HD21 LEU 68 HD21 LEU 68 -2.358 1.910 8.258 499 HD22 LEU 68 HD22 LEU 68 -3.243 2.309 9.728 500 HD23 LEU 68 HD23 LEU 68 -2.929 0.623 9.317 501 H VAL 69 H VAL 69 -3.419 4.359 9.147 502 HA VAL 69 HA VAL 69 -3.309 5.284 11.916 503 HB VAL 69 HB VAL 69 -3.078 7.366 10.713 504 HG11 VAL 69 HG11 VAL 69 -4.059 6.465 8.571 505 HG12 VAL 69 HG12 VAL 69 -5.654 6.758 9.273 506 HG13 VAL 69 HG13 VAL 69 -4.546 8.105 9.003 507 HG21 VAL 69 HG21 VAL 69 -5.974 7.386 11.422 508 HG22 VAL 69 HG22 VAL 69 -4.791 6.992 12.674 509 HG23 VAL 69 HG23 VAL 69 -4.704 8.541 11.831 510 H GLU 70 H GLU 70 -4.853 4.277 13.006 511 HA GLU 70 HA GLU 70 -6.765 3.146 13.511 512 HB2 GLU 70 HB3 GLU 70 -7.944 4.792 11.262 513 HB3 GLU 70 HB2 GLU 70 -8.850 3.948 12.510 514 HG2 GLU 70 HG3 GLU 70 -7.127 6.383 12.767 515 HG3 GLU 70 HG2 GLU 70 -8.826 6.178 13.191 516 H GLY 71 H GLY 71 -4.920 2.206 11.314 517 HA2 GLY 71 HA3 GLY 71 -4.931 0.060 10.333 518 HA3 GLY 71 HA2 GLY 71 -6.689 0.069 10.376 519 H ILE 72 H ILE 72 -6.664 2.842 9.190 520 HA ILE 72 HA ILE 72 -6.681 1.968 6.430 521 HB ILE 72 HB ILE 72 -7.281 4.691 7.598 522 HG12 ILE 72 HG13 ILE 72 -9.513 3.157 6.521 523 HG13 ILE 72 HG12 ILE 72 -8.727 2.322 7.850 524 HG21 ILE 72 HG21 ILE 72 -8.643 4.442 5.215 525 HG22 ILE 72 HG22 ILE 72 -7.155 5.357 5.473 526 HG23 ILE 72 HG23 ILE 72 -7.080 3.702 4.869 527 HD11 ILE 72 HD11 ILE 72 -9.416 3.823 9.382 528 HD12 ILE 72 HD12 ILE 72 -9.303 5.186 8.264 529 HD13 ILE 72 HD13 ILE 72 -10.688 4.095 8.190 530 H LEU 73 H LEU 73 -4.918 1.994 5.216 531 HA LEU 73 HA LEU 73 -2.590 3.510 5.938 532 HB2 LEU 73 HB3 LEU 73 -3.310 1.687 3.673 533 HB3 LEU 73 HB2 LEU 73 -1.838 2.636 3.610 534 HG LEU 73 HG LEU 73 -1.346 0.400 4.367 535 HD11 LEU 73 HD11 LEU 73 -0.076 2.296 5.322 536 HD12 LEU 73 HD12 LEU 73 -0.160 0.906 6.407 537 HD13 LEU 73 HD13 LEU 73 -1.184 2.313 6.690 538 HD21 LEU 73 HD21 LEU 73 -3.152 0.902 6.724 539 HD22 LEU 73 HD22 LEU 73 -2.306 -0.588 6.307 540 HD23 LEU 73 HD23 LEU 73 -3.639 -0.015 5.301 541 H HIS 74 H HIS 74 -2.467 5.625 5.616 542 HA HIS 74 HA HIS 74 -3.968 6.893 3.473 543 HB2 HIS 74 HB3 HIS 74 -3.963 8.010 5.614 544 HB3 HIS 74 HB2 HIS 74 -2.209 8.015 5.656 545 HD1 HIS 74 HD1 HIS 74 -4.259 9.036 2.654 546 HD2 HIS 74 HD2 HIS 74 -1.851 10.743 5.587 547 HE1 HIS 74 HE1 HIS 74 -3.934 11.433 1.954 548 HE2 HIS 74 HE2 HIS 74 -2.460 12.475 3.753 549 H ALA 75 H ALA 75 -3.151 7.730 1.630 550 HA ALA 75 HA ALA 75 -0.438 6.988 0.917 551 HB1 ALA 75 HB1 ALA 75 -1.485 6.658 -1.022 552 HB2 ALA 75 HB2 ALA 75 -1.451 6.684 -1.031 553 HB3 ALA 75 HB3 ALA 75 -1.531 8.435 -1.194 554 HA PRO 76 HA PRO 76 1.527 10.879 1.419 555 HB2 PRO 76 HB3 PRO 76 3.138 10.998 -0.767 556 HB3 PRO 76 HB2 PRO 76 3.438 9.908 0.592 557 HG2 PRO 76 HG3 PRO 76 2.167 9.332 -2.046 558 HG3 PRO 76 HG2 PRO 76 3.345 8.375 -1.154 559 HD2 PRO 76 HD3 PRO 76 0.704 7.787 -1.145 560 HD3 PRO 76 HD2 PRO 76 1.749 7.481 0.251 561 H ASP 77 H ASP 77 2.302 12.838 -0.125 562 HA ASP 77 HA ASP 77 -0.162 13.982 -1.098 563 HB2 ASP 77 HB3 ASP 77 2.562 15.239 -1.384 564 HB3 ASP 77 HB2 ASP 77 0.995 16.030 -1.208 565 H ALA 78 H ALA 78 1.975 11.910 -2.469 566 HA ALA 78 HA ALA 78 1.694 13.074 -5.161 567 HB1 ALA 78 HB1 ALA 78 4.004 12.499 -4.231 568 HB2 ALA 78 HB2 ALA 78 3.997 12.523 -4.271 569 HB3 ALA 78 HB3 ALA 78 3.586 11.845 -5.842 570 H GLY 79 H GLY 79 0.926 10.333 -3.149 571 HA2 GLY 79 HA3 GLY 79 -1.168 9.188 -3.813 572 HA3 GLY 79 HA2 GLY 79 -0.511 9.135 -5.432 573 H TRP 80 H TRP 80 -1.096 6.799 -5.063 574 HA TRP 80 HA TRP 80 0.701 5.307 -3.352 575 HB2 TRP 80 HB3 TRP 80 -1.402 4.407 -5.337 576 HB3 TRP 80 HB2 TRP 80 -0.467 3.320 -4.325 577 HD1 TRP 80 HD1 TRP 80 -3.583 5.336 -4.329 578 HE1 TRP 80 HE1 TRP 80 -4.685 5.301 -1.999 579 HE3 TRP 80 HE3 TRP 80 0.278 3.324 -1.654 580 HZ2 TRP 80 HZ2 TRP 80 -3.995 4.514 0.624 581 HZ3 TRP 80 HZ3 TRP 80 -0.024 2.962 0.759 582 HH2 TRP 80 HH2 TRP 80 -2.117 3.546 1.873 583 H GLY 81 H GLY 81 0.019 5.279 -6.864 584 HA2 GLY 81 HA3 GLY 81 1.582 5.234 -8.603 585 HA3 GLY 81 HA2 GLY 81 2.868 5.054 -7.415 586 H ASN 82 H ASN 82 3.719 3.450 -8.910 587 HA ASN 82 HA ASN 82 2.424 0.830 -8.505 588 HB2 ASN 82 HB3 ASN 82 3.595 0.288 -10.789 589 HB3 ASN 82 HB2 ASN 82 2.038 1.113 -10.772 590 HD21 ASN 82 HD21 ASN 82 1.868 3.067 -11.678 591 HD22 ASN 82 HD22 ASN 82 3.194 3.974 -12.333 592 H LEU 83 H LEU 83 4.409 1.995 -6.850 593 HA LEU 83 HA LEU 83 6.912 0.674 -7.576 594 HB2 LEU 83 HB3 LEU 83 7.946 1.975 -6.001 595 HB3 LEU 83 HB2 LEU 83 6.619 3.023 -6.495 596 HG LEU 83 HG LEU 83 6.786 1.377 -3.970 597 HD11 LEU 83 HD11 LEU 83 7.224 3.302 -2.841 598 HD12 LEU 83 HD12 LEU 83 6.403 4.320 -4.024 599 HD13 LEU 83 HD13 LEU 83 8.013 3.684 -4.370 600 HD21 LEU 83 HD21 LEU 83 4.562 3.181 -4.920 601 HD22 LEU 83 HD22 LEU 83 4.634 2.321 -3.378 602 HD23 LEU 83 HD23 LEU 83 4.501 1.418 -4.885 603 H VAL 84 H VAL 84 8.009 -0.186 -5.330 604 HA VAL 84 HA VAL 84 6.246 -2.399 -4.530 605 HB VAL 84 HB VAL 84 9.236 -2.132 -4.165 606 HG11 VAL 84 HG11 VAL 84 7.481 -4.570 -3.917 607 HG12 VAL 84 HG12 VAL 84 9.211 -4.462 -3.584 608 HG13 VAL 84 HG13 VAL 84 8.059 -3.616 -2.550 609 HG21 VAL 84 HG21 VAL 84 9.378 -2.585 -6.342 610 HG22 VAL 84 HG22 VAL 84 8.704 -4.175 -5.976 611 HG23 VAL 84 HG23 VAL 84 7.639 -2.858 -6.469 612 H TYR 85 H TYR 85 5.742 -2.830 -2.427 613 HA TYR 85 HA TYR 85 6.466 -0.743 -0.480 614 HB2 TYR 85 HB3 TYR 85 4.403 -0.999 0.502 615 HB3 TYR 85 HB2 TYR 85 3.996 -1.395 -1.138 616 HD1 TYR 85 HD2 TYR 85 3.546 -3.713 -1.801 617 HD2 TYR 85 HD1 TYR 85 4.403 -2.697 2.239 618 HE1 TYR 85 HE2 TYR 85 2.680 -5.898 -1.073 619 HE2 TYR 85 HE1 TYR 85 3.540 -4.877 2.978 620 HH TYR 85 HH TYR 85 2.831 -6.897 2.321 621 H VAL 86 H VAL 86 7.191 -1.276 1.575 622 HA VAL 86 HA VAL 86 8.287 -4.000 1.808 623 HB VAL 86 HB VAL 86 9.089 -1.448 3.212 624 HG11 VAL 86 HG11 VAL 86 11.029 -2.894 3.992 625 HG12 VAL 86 HG12 VAL 86 9.471 -3.162 4.777 626 HG13 VAL 86 HG13 VAL 86 10.037 -4.281 3.535 627 HG21 VAL 86 HG21 VAL 86 10.034 -1.221 1.143 628 HG22 VAL 86 HG22 VAL 86 11.292 -2.167 1.943 629 HG23 VAL 86 HG23 VAL 86 10.134 -2.964 0.873 630 H VAL 87 H VAL 87 7.446 -5.370 3.229 631 HA VAL 87 HA VAL 87 5.273 -4.628 4.915 632 HB VAL 87 HB VAL 87 6.862 -7.171 5.188 633 HG11 VAL 87 HG11 VAL 87 4.719 -8.115 5.844 634 HG12 VAL 87 HG12 VAL 87 5.116 -6.725 6.857 635 HG13 VAL 87 HG13 VAL 87 3.927 -6.564 5.560 636 HG21 VAL 87 HG21 VAL 87 4.776 -7.769 3.495 637 HG22 VAL 87 HG22 VAL 87 5.341 -6.210 2.889 638 HG23 VAL 87 HG23 VAL 87 6.465 -7.565 3.020 639 H ASN 88 H ASN 88 5.146 -4.538 7.165 640 HA ASN 88 HA ASN 88 7.636 -4.655 8.694 641 HB2 ASN 88 HB3 ASN 88 5.844 -2.213 8.696 642 HB3 ASN 88 HB2 ASN 88 7.266 -2.450 9.701 643 HD21 ASN 88 HD21 ASN 88 6.258 -0.767 7.201 644 HD22 ASN 88 HD22 ASN 88 7.711 -0.667 6.253 645 H TYR 89 H TYR 89 6.918 -6.349 9.910 646 HA TYR 89 HA TYR 89 4.287 -6.380 11.079 647 HB2 TYR 89 HB3 TYR 89 6.640 -8.141 11.786 648 HB3 TYR 89 HB2 TYR 89 4.933 -8.478 12.060 649 HD1 TYR 89 HD2 TYR 89 3.471 -8.393 9.807 650 HD2 TYR 89 HD1 TYR 89 7.649 -9.195 10.003 651 HE1 TYR 89 HE2 TYR 89 3.346 -9.541 7.637 652 HE2 TYR 89 HE1 TYR 89 7.534 -10.345 7.832 653 HH TYR 89 HH TYR 89 6.040 -11.343 6.350 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -39.076 0.292 4.904 2 H2 MET 1 H2 MET 1 -40.421 -0.084 4.014 3 H3 MET 1 H3 MET 1 -38.914 -0.386 3.404 4 HA MET 1 HA MET 1 -40.240 1.631 2.645 5 HB2 MET 1 HB3 MET 1 -40.625 2.463 4.919 6 HB3 MET 1 HB2 MET 1 -38.888 2.576 5.183 7 HG2 MET 1 HG3 MET 1 -38.688 4.307 3.540 8 HG3 MET 1 HG2 MET 1 -40.376 4.114 3.067 9 HE1 MET 1 HE1 MET 1 -38.520 5.864 6.750 10 HE2 MET 1 HE2 MET 1 -37.789 5.236 5.270 11 HE3 MET 1 HE3 MET 1 -38.414 6.888 5.314 12 H ALA 2 H ALA 2 -39.031 1.818 0.880 13 HA ALA 2 HA ALA 2 -36.173 1.535 0.932 14 HB1 ALA 2 HB1 ALA 2 -37.881 0.908 -0.947 15 HB2 ALA 2 HB2 ALA 2 -37.840 0.889 -0.943 16 HB3 ALA 2 HB3 ALA 2 -36.262 1.533 -1.380 17 H GLY 3 H GLY 3 -38.166 4.197 -0.385 18 HA2 GLY 3 HA3 GLY 3 -37.684 6.417 0.784 19 HA3 GLY 3 HA2 GLY 3 -36.004 6.047 0.417 20 H SER 4 H SER 4 -35.529 7.673 -0.970 21 HA SER 4 HA SER 4 -37.243 8.689 -2.952 22 HB2 SER 4 HB3 SER 4 -35.296 9.939 -2.178 23 HB3 SER 4 HB2 SER 4 -34.214 8.702 -2.826 24 HG SER 4 HG SER 4 -35.000 10.806 -4.079 25 H HIS 5 H HIS 5 -36.932 8.559 -5.304 26 HA HIS 5 HA HIS 5 -36.709 5.778 -6.120 27 HB2 HIS 5 HB3 HIS 5 -37.640 6.511 -8.234 28 HB3 HIS 5 HB2 HIS 5 -38.577 7.212 -6.915 29 HD1 HIS 5 HD1 HIS 5 -38.792 9.710 -6.864 30 HD2 HIS 5 HD2 HIS 5 -35.873 8.408 -9.529 31 HE1 HIS 5 HE1 HIS 5 -38.075 11.759 -8.143 32 HE2 HIS 5 HE2 HIS 5 -36.288 10.957 -9.773 33 H HIS 6 H HIS 6 -34.877 8.717 -6.324 34 HA HIS 6 HA HIS 6 -33.266 8.277 -8.531 35 HB2 HIS 6 HB3 HIS 6 -32.556 9.514 -5.861 36 HB3 HIS 6 HB2 HIS 6 -31.528 9.601 -7.292 37 HD1 HIS 6 HD1 HIS 6 -31.835 11.645 -8.639 38 HD2 HIS 6 HD2 HIS 6 -35.259 10.692 -6.475 39 HE1 HIS 6 HE1 HIS 6 -33.469 13.505 -9.102 40 HE2 HIS 6 HE2 HIS 6 -35.565 12.916 -7.775 41 H HIS 7 H HIS 7 -31.002 7.562 -8.623 42 HA HIS 7 HA HIS 7 -30.722 4.903 -7.742 43 HB2 HIS 7 HB3 HIS 7 -28.683 6.866 -8.814 44 HB3 HIS 7 HB2 HIS 7 -28.337 5.162 -8.519 45 HD1 HIS 7 HD1 HIS 7 -29.341 3.440 -10.155 46 HD2 HIS 7 HD2 HIS 7 -30.277 7.392 -11.063 47 HE1 HIS 7 HE1 HIS 7 -30.298 3.393 -12.485 48 HE2 HIS 7 HE2 HIS 7 -30.870 5.815 -13.036 49 H HIS 8 H HIS 8 -29.332 3.965 -6.212 50 HA HIS 8 HA HIS 8 -28.892 5.646 -3.865 51 HB2 HIS 8 HB3 HIS 8 -28.624 3.597 -2.637 52 HB3 HIS 8 HB2 HIS 8 -30.027 3.418 -3.688 53 HD1 HIS 8 HD1 HIS 8 -26.715 1.975 -2.944 54 HD2 HIS 8 HD2 HIS 8 -29.595 1.683 -5.933 55 HE1 HIS 8 HE1 HIS 8 -26.124 -0.093 -4.257 56 HE2 HIS 8 HE2 HIS 8 -27.891 -0.268 -6.085 57 H HIS 9 H HIS 9 -27.109 4.052 -6.374 58 HA HIS 9 HA HIS 9 -24.600 3.799 -5.166 59 HB2 HIS 9 HB3 HIS 9 -25.477 3.066 -7.532 60 HB3 HIS 9 HB2 HIS 9 -24.833 4.626 -8.040 61 HD1 HIS 9 HD1 HIS 9 -22.334 4.813 -8.335 62 HD2 HIS 9 HD2 HIS 9 -23.495 1.242 -6.542 63 HE1 HIS 9 HE1 HIS 9 -20.263 3.381 -8.272 64 HE2 HIS 9 HE2 HIS 9 -20.978 1.196 -7.173 65 H HIS 10 H HIS 10 -23.427 5.312 -4.210 66 HA HIS 10 HA HIS 10 -23.483 8.050 -5.322 67 HB2 HIS 10 HB3 HIS 10 -23.334 7.034 -2.505 68 HB3 HIS 10 HB2 HIS 10 -22.617 8.594 -2.902 69 HD1 HIS 10 HD1 HIS 10 -24.555 10.028 -4.538 70 HD2 HIS 10 HD2 HIS 10 -25.798 7.455 -1.513 71 HE1 HIS 10 HE1 HIS 10 -26.895 10.752 -3.949 72 HE2 HIS 10 HE2 HIS 10 -27.652 9.174 -2.097 73 H GLY 11 H GLY 11 -21.747 5.742 -6.053 74 HA2 GLY 11 HA3 GLY 11 -19.152 6.153 -4.965 75 HA3 GLY 11 HA2 GLY 11 -19.525 5.297 -6.457 76 H SER 12 H SER 12 -17.433 7.343 -5.643 77 HA SER 12 HA SER 12 -17.830 9.095 -7.979 78 HB2 SER 12 HB3 SER 12 -16.657 10.913 -6.645 79 HB3 SER 12 HB2 SER 12 -18.303 10.531 -6.132 80 HG SER 12 HG SER 12 -15.859 9.958 -4.875 81 H MET 13 H MET 13 -15.688 10.216 -8.552 82 HA MET 13 HA MET 13 -13.822 8.321 -9.316 83 HB2 MET 13 HB3 MET 13 -12.419 10.122 -9.985 84 HB3 MET 13 HB2 MET 13 -14.078 10.672 -10.205 85 HG2 MET 13 HG3 MET 13 -13.756 11.649 -7.801 86 HG3 MET 13 HG2 MET 13 -12.043 11.524 -8.204 87 HE1 MET 13 HE1 MET 13 -11.603 12.430 -11.192 88 HE2 MET 13 HE2 MET 13 -11.383 14.138 -10.801 89 HE3 MET 13 HE3 MET 13 -10.788 12.893 -9.696 90 H SER 14 H SER 14 -11.991 7.467 -8.466 91 HA SER 14 HA SER 14 -10.870 8.531 -6.003 92 HB2 SER 14 HB3 SER 14 -10.992 6.245 -4.908 93 HB3 SER 14 HB2 SER 14 -12.529 7.107 -5.033 94 HG SER 14 HG SER 14 -12.823 5.855 -7.038 95 H GLU 15 H GLU 15 -8.791 7.675 -5.494 96 HA GLU 15 HA GLU 15 -7.438 6.600 -7.866 97 HB2 GLU 15 HB3 GLU 15 -6.746 8.687 -6.336 98 HB3 GLU 15 HB2 GLU 15 -5.911 7.419 -5.448 99 HG2 GLU 15 HG3 GLU 15 -5.561 7.529 -8.396 100 HG3 GLU 15 HG2 GLU 15 -4.752 8.745 -7.408 101 H TYR 16 H TYR 16 -6.557 4.622 -7.946 102 HA TYR 16 HA TYR 16 -7.048 2.823 -5.716 103 HB2 TYR 16 HB3 TYR 16 -6.245 1.072 -7.313 104 HB3 TYR 16 HB2 TYR 16 -7.614 2.000 -7.910 105 HD1 TYR 16 HD2 TYR 16 -3.947 1.564 -8.197 106 HD2 TYR 16 HD1 TYR 16 -7.457 3.265 -9.908 107 HE1 TYR 16 HE2 TYR 16 -2.687 2.106 -10.237 108 HE2 TYR 16 HE1 TYR 16 -6.203 3.808 -11.953 109 HH TYR 16 HH TYR 16 -4.266 3.643 -13.026 110 H ILE 17 H ILE 17 -5.256 1.120 -5.328 111 HA ILE 17 HA ILE 17 -2.680 2.540 -5.049 112 HB ILE 17 HB ILE 17 -3.599 2.316 -2.862 113 HG12 ILE 17 HG13 ILE 17 -1.605 0.095 -3.315 114 HG13 ILE 17 HG12 ILE 17 -1.203 1.776 -3.080 115 HG21 ILE 17 HG21 ILE 17 -3.842 -0.457 -2.435 116 HG22 ILE 17 HG22 ILE 17 -5.114 0.759 -2.425 117 HG23 ILE 17 HG23 ILE 17 -4.720 -0.089 -3.917 118 HD11 ILE 17 HD11 ILE 17 -2.320 1.618 -0.834 119 HD12 ILE 17 HD12 ILE 17 -2.378 -0.127 -1.086 120 HD13 ILE 17 HD13 ILE 17 -0.824 0.703 -1.022 121 H ARG 18 H ARG 18 -1.040 1.646 -6.095 122 HA ARG 18 HA ARG 18 -1.189 -1.234 -6.735 123 HB2 ARG 18 HB3 ARG 18 -0.618 1.106 -8.401 124 HB3 ARG 18 HB2 ARG 18 0.576 -0.168 -8.552 125 HG2 ARG 18 HG3 ARG 18 -1.755 -1.573 -8.700 126 HG3 ARG 18 HG2 ARG 18 -2.180 -0.056 -9.497 127 HD2 ARG 18 HD3 ARG 18 0.296 -0.622 -10.546 128 HD3 ARG 18 HD2 ARG 18 -0.427 -2.223 -10.378 129 HE ARG 18 HE ARG 18 -2.380 -0.735 -11.564 130 HH11 ARG 18 HH11 ARG 18 0.962 -1.409 -12.292 131 HH12 ARG 18 HH12 ARG 18 0.750 -1.273 -14.008 132 HH21 ARG 18 HH21 ARG 18 -2.668 -0.553 -13.819 133 HH22 ARG 18 HH22 ARG 18 -1.314 -0.786 -14.874 134 H VAL 19 H VAL 19 0.086 -2.207 -5.281 135 HA VAL 19 HA VAL 19 2.912 -1.493 -5.254 136 HB VAL 19 HB VAL 19 2.955 -1.705 -2.732 137 HG11 VAL 19 HG11 VAL 19 1.404 0.739 -3.285 138 HG12 VAL 19 HG12 VAL 19 3.010 0.544 -2.572 139 HG13 VAL 19 HG13 VAL 19 2.803 0.465 -4.323 140 HG21 VAL 19 HG21 VAL 19 0.945 -1.272 -1.496 141 HG22 VAL 19 HG22 VAL 19 0.021 -1.055 -2.984 142 HG23 VAL 19 HG23 VAL 19 0.652 -2.648 -2.560 143 H THR 20 H THR 20 4.284 -3.166 -4.498 144 HA THR 20 HA THR 20 2.962 -5.794 -4.213 145 HB THR 20 HB THR 20 3.826 -5.930 -6.382 146 HG1 THR 20 HG1 THR 20 4.763 -7.733 -5.788 147 HG21 THR 20 HG21 THR 20 6.290 -5.272 -6.799 148 HG22 THR 20 HG22 THR 20 6.133 -4.342 -5.310 149 HG23 THR 20 HG23 THR 20 5.083 -3.990 -6.683 150 H GLU 21 H GLU 21 4.015 -7.330 -2.913 151 HA GLU 21 HA GLU 21 5.509 -6.193 -0.739 152 HB2 GLU 21 HB3 GLU 21 3.772 -8.190 -0.800 153 HB3 GLU 21 HB2 GLU 21 5.206 -9.141 -1.083 154 HG2 GLU 21 HG3 GLU 21 5.859 -7.475 1.046 155 HG3 GLU 21 HG2 GLU 21 4.215 -7.994 1.363 156 H ASP 22 H ASP 22 6.201 -8.646 -3.226 157 HA ASP 22 HA ASP 22 9.054 -8.444 -2.561 158 HB2 ASP 22 HB3 ASP 22 7.539 -10.483 -4.205 159 HB3 ASP 22 HB2 ASP 22 9.286 -10.495 -3.967 160 H GLU 23 H GLU 23 10.621 -8.093 -4.182 161 HA GLU 23 HA GLU 23 9.772 -6.254 -6.223 162 HB2 GLU 23 HB3 GLU 23 12.093 -5.916 -6.663 163 HB3 GLU 23 HB2 GLU 23 11.911 -6.058 -4.919 164 HG2 GLU 23 HG3 GLU 23 13.731 -7.382 -5.232 165 HG3 GLU 23 HG2 GLU 23 12.452 -8.585 -5.393 166 H ASN 24 H ASN 24 10.694 -9.620 -6.079 167 HA ASN 24 HA ASN 24 11.174 -10.001 -8.849 168 HB2 ASN 24 HB3 ASN 24 11.971 -11.603 -7.193 169 HB3 ASN 24 HB2 ASN 24 10.314 -11.974 -6.719 170 HD21 ASN 24 HD21 ASN 24 9.540 -13.768 -7.537 171 HD22 ASN 24 HD22 ASN 24 10.004 -14.492 -9.045 172 H ASP 25 H ASP 25 8.289 -9.815 -6.932 173 HA ASP 25 HA ASP 25 6.615 -10.973 -9.011 174 HB2 ASP 25 HB3 ASP 25 5.972 -9.749 -6.321 175 HB3 ASP 25 HB2 ASP 25 4.750 -10.379 -7.427 176 H GLU 26 H GLU 26 4.399 -9.528 -9.141 177 HA GLU 26 HA GLU 26 5.319 -6.953 -10.246 178 HB2 GLU 26 HB3 GLU 26 3.205 -8.899 -11.067 179 HB3 GLU 26 HB2 GLU 26 2.968 -7.195 -11.434 180 HG2 GLU 26 HG3 GLU 26 4.711 -7.123 -12.920 181 HG3 GLU 26 HG2 GLU 26 5.557 -8.473 -12.163 182 HA PRO 27 HA PRO 27 2.833 -4.629 -7.480 183 HB2 PRO 27 HB3 PRO 27 1.893 -2.650 -9.069 184 HB3 PRO 27 HB2 PRO 27 3.574 -2.739 -8.555 185 HG2 PRO 27 HG3 PRO 27 2.344 -3.580 -11.156 186 HG3 PRO 27 HG2 PRO 27 3.863 -2.708 -10.866 187 HD2 PRO 27 HD3 PRO 27 3.784 -5.362 -11.400 188 HD3 PRO 27 HD2 PRO 27 5.016 -4.637 -10.345 189 H ILE 28 H ILE 28 0.976 -5.347 -6.654 190 HA ILE 28 HA ILE 28 -1.198 -6.187 -8.385 191 HB ILE 28 HB ILE 28 -0.752 -7.593 -6.494 192 HG12 ILE 28 HG13 ILE 28 -3.215 -6.760 -7.171 193 HG13 ILE 28 HG12 ILE 28 -2.928 -7.946 -5.897 194 HG21 ILE 28 HG21 ILE 28 -0.989 -5.054 -4.908 195 HG22 ILE 28 HG22 ILE 28 -1.173 -6.638 -4.158 196 HG23 ILE 28 HG23 ILE 28 0.344 -6.212 -4.950 197 HD11 ILE 28 HD11 ILE 28 -4.529 -6.004 -5.434 198 HD12 ILE 28 HD12 ILE 28 -3.321 -6.404 -4.209 199 HD13 ILE 28 HD13 ILE 28 -3.073 -5.025 -5.277 200 H GLU 29 H GLU 29 -3.220 -5.269 -8.512 201 HA GLU 29 HA GLU 29 -3.404 -2.513 -7.490 202 HB2 GLU 29 HB3 GLU 29 -5.079 -2.151 -9.256 203 HB3 GLU 29 HB2 GLU 29 -3.535 -2.685 -9.913 204 HG2 GLU 29 HG3 GLU 29 -4.634 -4.247 -11.029 205 HG3 GLU 29 HG2 GLU 29 -4.962 -5.034 -9.485 206 H ILE 30 H ILE 30 -4.720 -2.134 -5.848 207 HA ILE 30 HA ILE 30 -7.078 -3.878 -5.499 208 HB ILE 30 HB ILE 30 -6.605 -3.119 -2.954 209 HG12 ILE 30 HG13 ILE 30 -3.839 -3.756 -3.938 210 HG13 ILE 30 HG12 ILE 30 -4.400 -2.104 -3.887 211 HG21 ILE 30 HG21 ILE 30 -6.261 -5.500 -4.545 212 HG22 ILE 30 HG22 ILE 30 -5.110 -5.457 -3.208 213 HG23 ILE 30 HG23 ILE 30 -6.841 -5.329 -2.887 214 HD11 ILE 30 HD11 ILE 30 -3.145 -2.620 -1.900 215 HD12 ILE 30 HD12 ILE 30 -4.836 -2.335 -1.485 216 HD13 ILE 30 HD13 ILE 30 -4.211 -3.984 -1.553 217 HA PRO 31 HA PRO 31 -9.545 -0.267 -5.152 218 HB2 PRO 31 HB3 PRO 31 -11.334 -0.972 -3.233 219 HB3 PRO 31 HB2 PRO 31 -11.356 -1.653 -4.867 220 HG2 PRO 31 HG3 PRO 31 -10.236 -2.815 -2.343 221 HG3 PRO 31 HG2 PRO 31 -11.188 -3.608 -3.614 222 HD2 PRO 31 HD3 PRO 31 -8.496 -3.848 -3.449 223 HD3 PRO 31 HD2 PRO 31 -9.363 -3.863 -4.999 224 H SER 32 H SER 32 -9.811 1.623 -3.996 225 HA SER 32 HA SER 32 -8.829 1.705 -1.231 226 HB2 SER 32 HB3 SER 32 -7.928 3.825 -3.157 227 HB3 SER 32 HB2 SER 32 -7.227 3.361 -1.607 228 HG SER 32 HG SER 32 -6.208 2.656 -3.740 229 H GLU 33 H GLU 33 -9.238 3.917 -0.248 230 HA GLU 33 HA GLU 33 -11.996 4.580 -0.688 231 HB2 GLU 33 HB3 GLU 33 -10.478 4.623 1.508 232 HB3 GLU 33 HB2 GLU 33 -10.261 6.300 1.019 233 HG2 GLU 33 HG3 GLU 33 -12.085 6.021 2.629 234 HG3 GLU 33 HG2 GLU 33 -12.644 6.673 1.087 235 H ASP 34 H ASP 34 -12.791 6.760 -1.059 236 HA ASP 34 HA ASP 34 -11.620 7.940 -3.353 237 HB2 ASP 34 HB3 ASP 34 -13.948 8.184 -3.190 238 HB3 ASP 34 HB2 ASP 34 -13.865 8.731 -1.514 239 H ASP 35 H ASP 35 -11.347 8.582 0.060 240 HA ASP 35 HA ASP 35 -10.302 11.206 -0.100 241 HB2 ASP 35 HB3 ASP 35 -9.940 9.063 2.006 242 HB3 ASP 35 HB2 ASP 35 -9.433 10.742 2.197 243 H GLY 36 H GLY 36 -8.958 8.142 -0.834 244 HA2 GLY 36 HA3 GLY 36 -6.910 8.188 -2.170 245 HA3 GLY 36 HA2 GLY 36 -6.293 9.402 -1.073 246 H THR 37 H THR 37 -7.700 7.614 1.082 247 HA THR 37 HA THR 37 -5.280 6.126 1.694 248 HB THR 37 HB THR 37 -6.213 5.728 3.853 249 HG1 THR 37 HG1 THR 37 -8.329 5.162 3.306 250 HG21 THR 37 HG21 THR 37 -5.862 7.842 4.470 251 HG22 THR 37 HG22 THR 37 -7.417 8.337 3.790 252 HG23 THR 37 HG23 THR 37 -5.974 8.317 2.775 253 H VAL 38 H VAL 38 -5.947 3.905 2.935 254 HA VAL 38 HA VAL 38 -7.740 2.370 1.181 255 HB VAL 38 HB VAL 38 -4.877 1.638 1.811 256 HG11 VAL 38 HG11 VAL 38 -5.788 -0.324 0.157 257 HG12 VAL 38 HG12 VAL 38 -5.654 -0.467 1.912 258 HG13 VAL 38 HG13 VAL 38 -7.201 -0.040 1.173 259 HG21 VAL 38 HG21 VAL 38 -4.428 1.874 -0.441 260 HG22 VAL 38 HG22 VAL 38 -6.123 1.685 -0.907 261 HG23 VAL 38 HG23 VAL 38 -5.572 3.185 -0.164 262 H LEU 39 H LEU 39 -9.131 1.244 2.356 263 HA LEU 39 HA LEU 39 -9.071 1.107 5.152 264 HB2 LEU 39 HB3 LEU 39 -10.532 -0.626 3.162 265 HB3 LEU 39 HB2 LEU 39 -10.847 -0.615 4.898 266 HG LEU 39 HG LEU 39 -11.111 1.880 3.242 267 HD11 LEU 39 HD11 LEU 39 -12.897 -0.474 3.346 268 HD12 LEU 39 HD12 LEU 39 -12.687 0.745 2.086 269 HD13 LEU 39 HD13 LEU 39 -13.660 1.111 3.513 270 HD21 LEU 39 HD21 LEU 39 -12.050 2.792 5.079 271 HD22 LEU 39 HD22 LEU 39 -11.131 1.539 5.916 272 HD23 LEU 39 HD23 LEU 39 -12.842 1.289 5.558 273 H LEU 40 H LEU 40 -8.600 -0.543 6.606 274 HA LEU 40 HA LEU 40 -6.330 -2.107 6.029 275 HB2 LEU 40 HB3 LEU 40 -7.005 -1.308 8.280 276 HB3 LEU 40 HB2 LEU 40 -8.317 -2.486 8.268 277 HG LEU 40 HG LEU 40 -6.750 -4.314 8.315 278 HD11 LEU 40 HD11 LEU 40 -4.287 -3.768 8.580 279 HD12 LEU 40 HD12 LEU 40 -4.681 -2.160 7.969 280 HD13 LEU 40 HD13 LEU 40 -4.968 -3.582 6.963 281 HD21 LEU 40 HD21 LEU 40 -7.365 -3.143 10.441 282 HD22 LEU 40 HD22 LEU 40 -5.840 -2.262 10.326 283 HD23 LEU 40 HD23 LEU 40 -5.833 -4.019 10.498 284 H SER 41 H SER 41 -9.699 -2.700 5.604 285 HA SER 41 HA SER 41 -9.683 -5.528 5.656 286 HB2 SER 41 HB3 SER 41 -11.702 -3.933 5.671 287 HB3 SER 41 HB2 SER 41 -11.517 -3.880 3.915 288 HG SER 41 HG SER 41 -11.624 -6.251 4.035 289 H THR 42 H THR 42 -8.911 -3.179 3.171 290 HA THR 42 HA THR 42 -8.743 -5.175 1.077 291 HB THR 42 HB THR 42 -7.699 -2.344 0.950 292 HG1 THR 42 HG1 THR 42 -10.091 -2.818 1.557 293 HG21 THR 42 HG21 THR 42 -8.567 -4.377 -1.103 294 HG22 THR 42 HG22 THR 42 -6.983 -3.619 -0.922 295 HG23 THR 42 HG23 THR 42 -8.360 -2.665 -1.473 296 H VAL 43 H VAL 43 -6.593 -3.577 3.316 297 HA VAL 43 HA VAL 43 -4.147 -4.187 2.000 298 HB VAL 43 HB VAL 43 -4.802 -3.562 4.880 299 HG11 VAL 43 HG11 VAL 43 -2.195 -3.185 4.902 300 HG12 VAL 43 HG12 VAL 43 -2.889 -4.771 5.252 301 HG13 VAL 43 HG13 VAL 43 -2.229 -4.427 3.649 302 HG21 VAL 43 HG21 VAL 43 -3.066 -1.669 3.787 303 HG22 VAL 43 HG22 VAL 43 -4.232 -2.016 2.509 304 HG23 VAL 43 HG23 VAL 43 -4.793 -1.479 4.095 305 H THR 44 H THR 44 -6.082 -5.890 4.417 306 HA THR 44 HA THR 44 -4.160 -8.015 4.726 307 HB THR 44 HB THR 44 -5.783 -9.082 6.152 308 HG1 THR 44 HG1 THR 44 -7.918 -8.346 6.268 309 HG21 THR 44 HG21 THR 44 -5.270 -7.609 7.744 310 HG22 THR 44 HG22 THR 44 -6.549 -6.534 7.171 311 HG23 THR 44 HG23 THR 44 -4.917 -6.395 6.511 312 H ALA 45 H ALA 45 -6.533 -7.254 2.432 313 HA ALA 45 HA ALA 45 -7.470 -9.822 1.723 314 HB1 ALA 45 HB1 ALA 45 -8.532 -7.706 1.002 315 HB2 ALA 45 HB2 ALA 45 -8.550 -7.745 0.993 316 HB3 ALA 45 HB3 ALA 45 -8.174 -8.799 -0.365 317 H GLN 46 H GLN 46 -4.771 -7.870 0.469 318 HA GLN 46 HA GLN 46 -3.757 -10.294 -0.874 319 HB2 GLN 46 HB3 GLN 46 -3.117 -7.412 -1.532 320 HB3 GLN 46 HB2 GLN 46 -2.592 -8.829 -2.419 321 HG2 GLN 46 HG3 GLN 46 -5.303 -7.589 -2.276 322 HG3 GLN 46 HG2 GLN 46 -4.347 -8.025 -3.690 323 HE21 GLN 46 HE21 GLN 46 -3.757 -10.525 -3.560 324 HE22 GLN 46 HE22 GLN 46 -5.144 -11.547 -3.356 325 H PHE 47 H PHE 47 -3.163 -7.935 1.538 326 HA PHE 47 HA PHE 47 -0.438 -9.018 1.911 327 HB2 PHE 47 HB3 PHE 47 -1.178 -6.259 2.821 328 HB3 PHE 47 HB2 PHE 47 0.398 -6.919 2.491 329 HD1 PHE 47 HD1 PHE 47 0.214 -8.008 -0.159 330 HD2 PHE 47 HD2 PHE 47 -1.551 -4.469 1.424 331 HE1 PHE 47 HE1 PHE 47 0.147 -7.039 -2.414 332 HE2 PHE 47 HE2 PHE 47 -1.623 -3.494 -0.832 333 HZ PHE 47 HZ PHE 47 -0.780 -4.774 -2.758 334 HA PRO 48 HA PRO 48 -3.020 -9.935 5.652 335 HB2 PRO 48 HB3 PRO 48 -2.106 -12.476 5.937 336 HB3 PRO 48 HB2 PRO 48 -3.469 -12.055 4.896 337 HG2 PRO 48 HG3 PRO 48 -0.606 -12.545 4.166 338 HG3 PRO 48 HG2 PRO 48 -2.078 -13.095 3.349 339 HD2 PRO 48 HD3 PRO 48 -0.639 -10.975 2.479 340 HD3 PRO 48 HD2 PRO 48 -2.403 -11.070 2.291 341 H GLY 49 H GLY 49 -2.282 -9.422 7.619 342 HA2 GLY 49 HA3 GLY 49 -0.854 -9.375 9.446 343 HA3 GLY 49 HA2 GLY 49 0.301 -10.331 8.547 344 H ALA 50 H ALA 50 -0.664 -7.729 6.691 345 HA ALA 50 HA ALA 50 1.878 -6.395 7.145 346 HB1 ALA 50 HB1 ALA 50 0.619 -6.914 4.867 347 HB2 ALA 50 HB2 ALA 50 0.666 -6.912 4.870 348 HB3 ALA 50 HB3 ALA 50 1.628 -5.455 5.075 349 H CYS 51 H CYS 51 1.964 -5.036 8.814 350 HA CYS 51 HA CYS 51 -0.378 -3.416 9.493 351 HB2 CYS 51 HB3 CYS 51 1.177 -4.712 11.157 352 HB3 CYS 51 HB2 CYS 51 2.218 -3.308 10.987 353 HG CYS 51 HG CYS 51 0.585 -3.244 13.359 354 H GLY 52 H GLY 52 3.103 -2.925 8.867 355 HA2 GLY 52 HA3 GLY 52 2.439 -0.171 8.034 356 HA3 GLY 52 HA2 GLY 52 3.926 -0.585 8.833 357 H LEU 53 H LEU 53 2.886 0.407 6.010 358 HA LEU 53 HA LEU 53 4.685 -1.345 4.458 359 HB2 LEU 53 HB3 LEU 53 2.467 0.361 3.349 360 HB3 LEU 53 HB2 LEU 53 3.399 -0.868 2.504 361 HG LEU 53 HG LEU 53 1.384 -1.931 2.850 362 HD11 LEU 53 HD11 LEU 53 2.460 -2.799 5.468 363 HD12 LEU 53 HD12 LEU 53 3.522 -2.965 4.071 364 HD13 LEU 53 HD13 LEU 53 1.943 -3.749 4.077 365 HD21 LEU 53 HD21 LEU 53 -0.093 -1.615 4.615 366 HD22 LEU 53 HD22 LEU 53 0.632 -0.017 4.416 367 HD23 LEU 53 HD23 LEU 53 1.176 -1.077 5.716 368 H ARG 54 H ARG 54 6.346 -0.456 3.359 369 HA ARG 54 HA ARG 54 6.695 2.458 3.631 370 HB2 ARG 54 HB3 ARG 54 8.380 0.473 4.424 371 HB3 ARG 54 HB2 ARG 54 9.011 0.812 2.824 372 HG2 ARG 54 HG3 ARG 54 9.603 2.984 3.376 373 HG3 ARG 54 HG2 ARG 54 8.494 3.044 4.750 374 HD2 ARG 54 HD3 ARG 54 10.648 1.011 4.843 375 HD3 ARG 54 HD2 ARG 54 11.137 2.699 5.012 376 HE ARG 54 HE ARG 54 9.710 1.105 6.934 377 HH11 ARG 54 HH11 ARG 54 10.301 4.346 5.792 378 HH12 ARG 54 HH12 ARG 54 9.908 5.091 7.308 379 HH21 ARG 54 HH21 ARG 54 9.191 2.075 8.931 380 HH22 ARG 54 HH22 ARG 54 9.277 3.799 9.092 381 H TYR 55 H TYR 55 8.152 3.394 1.841 382 HA TYR 55 HA TYR 55 7.047 2.494 -0.738 383 HB2 TYR 55 HB3 TYR 55 7.828 5.159 0.346 384 HB3 TYR 55 HB2 TYR 55 7.943 4.898 -1.378 385 HD1 TYR 55 HD2 TYR 55 5.641 3.321 -2.053 386 HD2 TYR 55 HD1 TYR 55 5.969 6.458 0.801 387 HE1 TYR 55 HE2 TYR 55 3.235 3.777 -2.283 388 HE2 TYR 55 HE1 TYR 55 3.566 6.920 0.580 389 HH TYR 55 HH TYR 55 1.467 5.444 -0.157 390 H ARG 56 H ARG 56 8.350 1.638 -2.210 391 HA ARG 56 HA ARG 56 11.243 2.175 -2.019 392 HB2 ARG 56 HB3 ARG 56 10.662 -0.084 -1.130 393 HB3 ARG 56 HB2 ARG 56 10.003 -0.495 -2.710 394 HG2 ARG 56 HG3 ARG 56 12.783 0.508 -2.650 395 HG3 ARG 56 HG2 ARG 56 12.489 -1.097 -1.972 396 HD2 ARG 56 HD3 ARG 56 11.378 -1.752 -4.070 397 HD3 ARG 56 HD2 ARG 56 11.736 -0.161 -4.742 398 HE ARG 56 HE ARG 56 14.176 -1.049 -4.032 399 HH11 ARG 56 HH11 ARG 56 11.587 -2.486 -5.868 400 HH12 ARG 56 HH12 ARG 56 12.643 -3.437 -6.860 401 HH21 ARG 56 HH21 ARG 56 15.574 -2.298 -5.330 402 HH22 ARG 56 HH22 ARG 56 14.911 -3.331 -6.553 403 H ASN 57 H ASN 57 11.567 3.470 -3.730 404 HA ASN 57 HA ASN 57 10.663 2.478 -6.360 405 HB2 ASN 57 HB3 ASN 57 10.124 5.014 -5.090 406 HB3 ASN 57 HB2 ASN 57 11.007 5.255 -6.582 407 HD21 ASN 57 HD21 ASN 57 10.129 3.497 -8.300 408 HD22 ASN 57 HD22 ASN 57 8.416 3.616 -8.545 409 HA PRO 58 HA PRO 58 15.091 2.513 -6.979 410 HB2 PRO 58 HB3 PRO 58 15.003 1.400 -9.458 411 HB3 PRO 58 HB2 PRO 58 14.822 0.462 -7.978 412 HG2 PRO 58 HG3 PRO 58 12.715 1.486 -9.835 413 HG3 PRO 58 HG2 PRO 58 12.842 -0.104 -9.056 414 HD2 PRO 58 HD3 PRO 58 11.215 1.847 -8.123 415 HD3 PRO 58 HD2 PRO 58 11.996 0.676 -7.054 416 H VAL 59 H VAL 59 12.635 3.890 -9.056 417 HA VAL 59 HA VAL 59 14.567 5.380 -10.633 418 HB VAL 59 HB VAL 59 12.550 6.384 -11.709 419 HG11 VAL 59 HG11 VAL 59 12.381 3.376 -11.644 420 HG12 VAL 59 HG12 VAL 59 12.008 4.464 -12.988 421 HG13 VAL 59 HG13 VAL 59 13.679 4.251 -12.459 422 HG21 VAL 59 HG21 VAL 59 11.069 6.184 -9.729 423 HG22 VAL 59 HG22 VAL 59 10.351 5.534 -11.202 424 HG23 VAL 59 HG23 VAL 59 11.013 4.437 -9.984 425 H SER 60 H SER 60 12.444 5.879 -7.911 426 HA SER 60 HA SER 60 12.788 8.764 -7.962 427 HB2 SER 60 HB3 SER 60 11.466 7.062 -5.841 428 HB3 SER 60 HB2 SER 60 11.306 8.807 -6.053 429 HG SER 60 HG SER 60 10.217 8.447 -7.980 430 H GLN 61 H GLN 61 14.113 5.976 -6.356 431 HA GLN 61 HA GLN 61 15.858 5.712 -4.917 432 HB2 GLN 61 HB3 GLN 61 16.559 8.554 -5.683 433 HB3 GLN 61 HB2 GLN 61 17.636 7.379 -4.941 434 HG2 GLN 61 HG3 GLN 61 16.341 6.790 -7.570 435 HG3 GLN 61 HG2 GLN 61 17.772 7.817 -7.485 436 HE21 GLN 61 HE21 GLN 61 18.661 6.072 -8.830 437 HE22 GLN 61 HE22 GLN 61 19.350 4.691 -8.037 438 H CYS 62 H CYS 62 13.280 6.893 -4.028 439 HA CYS 62 HA CYS 62 14.131 8.533 -1.752 440 HB2 CYS 62 HB3 CYS 62 12.029 8.902 -3.350 441 HB3 CYS 62 HB2 CYS 62 11.269 7.813 -2.193 442 HG CYS 62 HG CYS 62 12.963 10.458 -0.935 443 H MET 63 H MET 63 13.020 8.050 0.370 444 HA MET 63 HA MET 63 12.826 5.134 0.798 445 HB2 MET 63 HB3 MET 63 14.443 7.183 2.256 446 HB3 MET 63 HB2 MET 63 13.784 5.827 3.162 447 HG2 MET 63 HG3 MET 63 15.836 5.010 2.595 448 HG3 MET 63 HG2 MET 63 14.855 4.401 1.261 449 HE1 MET 63 HE1 MET 63 17.788 6.229 2.439 450 HE2 MET 63 HE2 MET 63 18.360 7.247 1.114 451 HE3 MET 63 HE3 MET 63 17.016 7.786 2.124 452 H ARG 64 H ARG 64 10.808 7.325 0.438 453 HA ARG 64 HA ARG 64 9.581 8.009 2.848 454 HB2 ARG 64 HB3 ARG 64 9.076 8.537 0.237 455 HB3 ARG 64 HB2 ARG 64 7.781 7.401 0.586 456 HG2 ARG 64 HG3 ARG 64 7.573 9.033 2.725 457 HG3 ARG 64 HG2 ARG 64 8.180 10.165 1.510 458 HD2 ARG 64 HD3 ARG 64 6.350 9.306 -0.016 459 HD3 ARG 64 HD2 ARG 64 5.685 8.476 1.391 460 HE ARG 64 HE ARG 64 5.592 11.306 0.830 461 HH11 ARG 64 HH11 ARG 64 5.392 8.839 3.287 462 HH12 ARG 64 HH12 ARG 64 4.473 9.819 4.380 463 HH21 ARG 64 HH21 ARG 64 4.382 12.602 2.262 464 HH22 ARG 64 HH22 ARG 64 3.898 11.959 3.797 465 H GLY 65 H GLY 65 7.160 7.189 3.223 466 HA2 GLY 65 HA3 GLY 65 6.841 4.333 2.924 467 HA3 GLY 65 HA2 GLY 65 7.220 4.831 4.568 468 H VAL 66 H VAL 66 4.771 3.644 3.246 469 HA VAL 66 HA VAL 66 2.714 5.590 3.237 470 HB VAL 66 HB VAL 66 2.482 2.620 3.764 471 HG11 VAL 66 HG11 VAL 66 0.502 3.913 4.442 472 HG12 VAL 66 HG12 VAL 66 0.404 4.590 2.816 473 HG13 VAL 66 HG13 VAL 66 0.174 2.858 3.070 474 HG21 VAL 66 HG21 VAL 66 3.616 3.250 1.623 475 HG22 VAL 66 HG22 VAL 66 2.114 2.349 1.415 476 HG23 VAL 66 HG23 VAL 66 2.139 4.096 1.159 477 H ARG 67 H ARG 67 1.265 6.231 4.791 478 HA ARG 67 HA ARG 67 2.125 5.819 7.550 479 HB2 ARG 67 HB3 ARG 67 1.721 8.104 6.908 480 HB3 ARG 67 HB2 ARG 67 0.117 7.702 6.297 481 HG2 ARG 67 HG3 ARG 67 -0.125 8.803 8.401 482 HG3 ARG 67 HG2 ARG 67 -0.553 7.102 8.613 483 HD2 ARG 67 HD3 ARG 67 2.011 6.914 9.246 484 HD3 ARG 67 HD2 ARG 67 1.795 8.622 9.629 485 HE ARG 67 HE ARG 67 -0.203 6.885 10.781 486 HH11 ARG 67 HH11 ARG 67 2.936 8.347 11.191 487 HH12 ARG 67 HH12 ARG 67 2.909 8.227 12.921 488 HH21 ARG 67 HH21 ARG 67 -0.247 6.722 13.054 489 HH22 ARG 67 HH22 ARG 67 1.099 7.303 13.979 490 H LEU 68 H LEU 68 0.950 4.811 9.108 491 HA LEU 68 HA LEU 68 -1.556 3.515 8.235 492 HB2 LEU 68 HB3 LEU 68 0.238 1.910 8.576 493 HB3 LEU 68 HB2 LEU 68 0.525 2.547 10.195 494 HG LEU 68 HG LEU 68 -0.775 0.326 9.903 495 HD11 LEU 68 HD11 LEU 68 -1.593 0.610 12.006 496 HD12 LEU 68 HD12 LEU 68 -2.272 2.198 11.652 497 HD13 LEU 68 HD13 LEU 68 -0.538 2.023 11.931 498 HD21 LEU 68 HD21 LEU 68 -3.204 2.030 9.779 499 HD22 LEU 68 HD22 LEU 68 -2.961 0.361 9.258 500 HD23 LEU 68 HD23 LEU 68 -2.365 1.693 8.268 501 H VAL 69 H VAL 69 -3.296 4.317 9.184 502 HA VAL 69 HA VAL 69 -3.164 5.018 12.037 503 HB VAL 69 HB VAL 69 -2.942 7.141 10.902 504 HG11 VAL 69 HG11 VAL 69 -3.874 7.575 8.932 505 HG12 VAL 69 HG12 VAL 69 -4.574 5.956 8.948 506 HG13 VAL 69 HG13 VAL 69 -5.491 7.317 9.589 507 HG21 VAL 69 HG21 VAL 69 -4.706 6.638 12.845 508 HG22 VAL 69 HG22 VAL 69 -4.474 8.249 12.160 509 HG23 VAL 69 HG23 VAL 69 -5.817 7.244 11.614 510 H GLU 70 H GLU 70 -4.699 3.987 13.115 511 HA GLU 70 HA GLU 70 -6.604 2.837 13.607 512 HB2 GLU 70 HB3 GLU 70 -7.860 4.521 11.432 513 HB3 GLU 70 HB2 GLU 70 -8.693 3.707 12.747 514 HG2 GLU 70 HG3 GLU 70 -7.006 5.221 14.173 515 HG3 GLU 70 HG2 GLU 70 -7.172 6.234 12.737 516 H GLY 71 H GLY 71 -4.804 1.976 11.342 517 HA2 GLY 71 HA3 GLY 71 -4.844 -0.129 10.275 518 HA3 GLY 71 HA2 GLY 71 -6.600 -0.112 10.348 519 H ILE 72 H ILE 72 -6.577 2.706 9.277 520 HA ILE 72 HA ILE 72 -6.650 1.947 6.484 521 HB ILE 72 HB ILE 72 -7.197 4.636 7.753 522 HG12 ILE 72 HG13 ILE 72 -9.498 3.199 6.729 523 HG13 ILE 72 HG12 ILE 72 -8.664 2.249 7.947 524 HG21 ILE 72 HG21 ILE 72 -7.182 3.663 4.985 525 HG22 ILE 72 HG22 ILE 72 -8.638 4.543 5.448 526 HG23 ILE 72 HG23 ILE 72 -7.053 5.306 5.617 527 HD11 ILE 72 HD11 ILE 72 -9.215 3.658 9.621 528 HD12 ILE 72 HD12 ILE 72 -9.147 5.092 8.592 529 HD13 ILE 72 HD13 ILE 72 -10.553 4.028 8.533 530 H LEU 73 H LEU 73 -4.859 1.947 5.306 531 HA LEU 73 HA LEU 73 -2.527 3.440 6.026 532 HB2 LEU 73 HB3 LEU 73 -3.290 1.710 3.701 533 HB3 LEU 73 HB2 LEU 73 -1.807 2.639 3.667 534 HG LEU 73 HG LEU 73 -1.333 0.376 4.334 535 HD11 LEU 73 HD11 LEU 73 -0.138 0.782 6.385 536 HD12 LEU 73 HD12 LEU 73 -1.159 2.173 6.745 537 HD13 LEU 73 HD13 LEU 73 -0.056 2.227 5.377 538 HD21 LEU 73 HD21 LEU 73 -2.291 -0.659 6.273 539 HD22 LEU 73 HD22 LEU 73 -3.602 -0.109 5.227 540 HD23 LEU 73 HD23 LEU 73 -3.182 0.809 6.672 541 H HIS 74 H HIS 74 -2.404 5.568 5.784 542 HA HIS 74 HA HIS 74 -3.927 6.928 3.723 543 HB2 HIS 74 HB3 HIS 74 -3.806 7.951 5.923 544 HB3 HIS 74 HB2 HIS 74 -2.055 7.968 5.853 545 HD1 HIS 74 HD1 HIS 74 -4.197 9.043 2.955 546 HD2 HIS 74 HD2 HIS 74 -1.817 10.728 5.922 547 HE1 HIS 74 HE1 HIS 74 -3.957 11.471 2.334 548 HE2 HIS 74 HE2 HIS 74 -2.499 12.500 4.154 549 H ALA 75 H ALA 75 -3.157 7.801 1.878 550 HA ALA 75 HA ALA 75 -0.444 7.084 1.098 551 HB1 ALA 75 HB1 ALA 75 -2.953 7.709 -0.292 552 HB2 ALA 75 HB2 ALA 75 -2.948 7.663 -0.279 553 HB3 ALA 75 HB3 ALA 75 -1.600 6.639 -0.760 554 HA PRO 76 HA PRO 76 1.389 11.052 1.482 555 HB2 PRO 76 HB3 PRO 76 2.954 11.180 -0.738 556 HB3 PRO 76 HB2 PRO 76 3.317 10.130 0.639 557 HG2 PRO 76 HG3 PRO 76 2.020 9.451 -1.963 558 HG3 PRO 76 HG2 PRO 76 3.248 8.558 -1.072 559 HD2 PRO 76 HD3 PRO 76 0.629 7.878 -0.999 560 HD3 PRO 76 HD2 PRO 76 1.710 7.638 0.383 561 H ASP 77 H ASP 77 2.071 12.999 -0.128 562 HA ASP 77 HA ASP 77 -0.451 14.037 -1.072 563 HB2 ASP 77 HB3 ASP 77 0.803 16.104 -1.499 564 HB3 ASP 77 HB2 ASP 77 1.132 15.485 0.120 565 H ALA 78 H ALA 78 1.711 11.999 -2.440 566 HA ALA 78 HA ALA 78 1.357 13.095 -5.152 567 HB1 ALA 78 HB1 ALA 78 3.634 12.778 -4.916 568 HB2 ALA 78 HB2 ALA 78 3.620 12.770 -4.957 569 HB3 ALA 78 HB3 ALA 78 3.121 11.226 -5.646 570 H GLY 79 H GLY 79 0.710 10.352 -3.079 571 HA2 GLY 79 HA3 GLY 79 -1.403 9.184 -3.695 572 HA3 GLY 79 HA2 GLY 79 -0.747 9.086 -5.312 573 H TRP 80 H TRP 80 -1.216 6.767 -4.998 574 HA TRP 80 HA TRP 80 0.548 5.337 -3.186 575 HB2 TRP 80 HB3 TRP 80 -1.504 4.376 -5.194 576 HB3 TRP 80 HB2 TRP 80 -0.554 3.310 -4.176 577 HD1 TRP 80 HD1 TRP 80 -3.753 5.137 -4.227 578 HE1 TRP 80 HE1 TRP 80 -4.857 5.126 -1.898 579 HE3 TRP 80 HE3 TRP 80 0.225 3.500 -1.468 580 HZ2 TRP 80 HZ2 TRP 80 -4.126 4.494 0.755 581 HZ3 TRP 80 HZ3 TRP 80 -0.060 3.219 0.958 582 HH2 TRP 80 HH2 TRP 80 -2.190 3.706 2.043 583 H GLY 81 H GLY 81 -0.057 5.211 -6.712 584 HA2 GLY 81 HA3 GLY 81 1.593 5.242 -8.390 585 HA3 GLY 81 HA2 GLY 81 2.823 4.977 -7.161 586 H ASN 82 H ASN 82 3.600 3.424 -8.818 587 HA ASN 82 HA ASN 82 2.285 0.814 -8.425 588 HB2 ASN 82 HB3 ASN 82 3.686 1.641 -10.972 589 HB3 ASN 82 HB2 ASN 82 2.737 0.182 -10.694 590 HD21 ASN 82 HD21 ASN 82 2.564 2.604 -12.545 591 HD22 ASN 82 HD22 ASN 82 0.902 3.090 -12.418 592 H LEU 83 H LEU 83 4.360 1.867 -6.836 593 HA LEU 83 HA LEU 83 6.778 0.472 -7.746 594 HB2 LEU 83 HB3 LEU 83 7.767 1.552 -5.675 595 HB3 LEU 83 HB2 LEU 83 7.296 2.619 -6.992 596 HG LEU 83 HG LEU 83 6.774 3.322 -4.568 597 HD11 LEU 83 HD11 LEU 83 5.504 4.822 -5.595 598 HD12 LEU 83 HD12 LEU 83 4.233 3.627 -5.860 599 HD13 LEU 83 HD13 LEU 83 5.532 3.807 -7.040 600 HD21 LEU 83 HD21 LEU 83 5.793 1.129 -3.937 601 HD22 LEU 83 HD22 LEU 83 4.450 1.458 -5.035 602 HD23 LEU 83 HD23 LEU 83 4.719 2.495 -3.636 603 H VAL 84 H VAL 84 8.014 -0.350 -5.560 604 HA VAL 84 HA VAL 84 6.271 -2.493 -4.585 605 HB VAL 84 HB VAL 84 9.266 -2.193 -4.281 606 HG11 VAL 84 HG11 VAL 84 7.544 -4.642 -3.927 607 HG12 VAL 84 HG12 VAL 84 9.271 -4.492 -3.603 608 HG13 VAL 84 HG13 VAL 84 8.106 -3.628 -2.599 609 HG21 VAL 84 HG21 VAL 84 7.652 -2.985 -6.539 610 HG22 VAL 84 HG22 VAL 84 9.398 -2.746 -6.434 611 HG23 VAL 84 HG23 VAL 84 8.695 -4.307 -6.011 612 H TYR 85 H TYR 85 5.818 -2.850 -2.454 613 HA TYR 85 HA TYR 85 6.620 -0.706 -0.594 614 HB2 TYR 85 HB3 TYR 85 4.557 -0.872 0.455 615 HB3 TYR 85 HB2 TYR 85 4.126 -1.156 -1.206 616 HD1 TYR 85 HD2 TYR 85 3.589 -3.447 -1.980 617 HD2 TYR 85 HD1 TYR 85 4.335 -2.596 2.118 618 HE1 TYR 85 HE2 TYR 85 2.553 -5.588 -1.354 619 HE2 TYR 85 HE1 TYR 85 3.301 -4.734 2.755 620 HH TYR 85 HH TYR 85 2.495 -6.685 2.010 621 H VAL 86 H VAL 86 7.341 -1.209 1.464 622 HA VAL 86 HA VAL 86 8.301 -3.971 1.779 623 HB VAL 86 HB VAL 86 9.160 -1.451 3.214 624 HG11 VAL 86 HG11 VAL 86 11.093 -3.458 3.482 625 HG12 VAL 86 HG12 VAL 86 10.039 -2.805 4.742 626 HG13 VAL 86 HG13 VAL 86 9.548 -4.236 3.829 627 HG21 VAL 86 HG21 VAL 86 11.272 -1.799 1.928 628 HG22 VAL 86 HG22 VAL 86 10.440 -3.046 0.996 629 HG23 VAL 86 HG23 VAL 86 9.879 -1.373 0.932 630 H VAL 87 H VAL 87 7.242 -5.281 3.101 631 HA VAL 87 HA VAL 87 5.132 -4.411 4.785 632 HB VAL 87 HB VAL 87 5.219 -6.760 5.693 633 HG11 VAL 87 HG11 VAL 87 4.655 -7.800 3.432 634 HG12 VAL 87 HG12 VAL 87 3.720 -6.384 3.923 635 HG13 VAL 87 HG13 VAL 87 5.025 -6.217 2.743 636 HG21 VAL 87 HG21 VAL 87 7.180 -7.400 3.533 637 HG22 VAL 87 HG22 VAL 87 7.771 -6.852 5.102 638 HG23 VAL 87 HG23 VAL 87 6.777 -8.307 4.994 639 H ASN 88 H ASN 88 4.967 -4.444 7.060 640 HA ASN 88 HA ASN 88 7.452 -4.629 8.593 641 HB2 ASN 88 HB3 ASN 88 7.034 -2.214 7.798 642 HB3 ASN 88 HB2 ASN 88 5.683 -2.212 8.927 643 HD21 ASN 88 HD21 ASN 88 6.067 -1.678 10.958 644 HD22 ASN 88 HD22 ASN 88 7.639 -1.573 11.694 645 H TYR 89 H TYR 89 6.828 -6.263 9.886 646 HA TYR 89 HA TYR 89 4.159 -6.429 10.963 647 HB2 TYR 89 HB3 TYR 89 6.558 -8.047 11.829 648 HB3 TYR 89 HB2 TYR 89 4.854 -8.484 11.951 649 HD1 TYR 89 HD2 TYR 89 3.739 -8.072 9.364 650 HD2 TYR 89 HD1 TYR 89 7.640 -9.456 10.362 651 HE1 TYR 89 HE2 TYR 89 3.877 -9.225 7.198 652 HE2 TYR 89 HE1 TYR 89 7.790 -10.613 8.197 653 HH TYR 89 HH TYR 89 6.188 -11.550 6.495 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -40.276 -4.220 -27.676 2 H2 MET 1 H2 MET 1 -40.715 -5.716 -28.229 3 H3 MET 1 H3 MET 1 -41.876 -4.631 -27.772 4 HA MET 1 HA MET 1 -41.908 -5.582 -25.854 5 HB2 MET 1 HB3 MET 1 -40.538 -7.418 -27.081 6 HB3 MET 1 HB2 MET 1 -39.161 -6.753 -26.208 7 HG2 MET 1 HG3 MET 1 -39.858 -8.477 -24.842 8 HG3 MET 1 HG2 MET 1 -40.617 -7.065 -24.109 9 HE1 MET 1 HE1 MET 1 -44.095 -8.102 -23.727 10 HE2 MET 1 HE2 MET 1 -42.593 -7.528 -22.996 11 HE3 MET 1 HE3 MET 1 -43.365 -6.593 -24.281 12 H ALA 2 H ALA 2 -41.322 -5.016 -23.761 13 HA ALA 2 HA ALA 2 -40.016 -2.576 -23.407 14 HB1 ALA 2 HB1 ALA 2 -41.662 -3.846 -21.856 15 HB2 ALA 2 HB2 ALA 2 -41.659 -3.803 -21.857 16 HB3 ALA 2 HB3 ALA 2 -40.380 -2.841 -21.122 17 H GLY 3 H GLY 3 -38.169 -2.407 -21.650 18 HA2 GLY 3 HA3 GLY 3 -36.095 -4.420 -21.972 19 HA3 GLY 3 HA2 GLY 3 -35.757 -2.875 -22.743 20 H SER 4 H SER 4 -33.984 -2.470 -21.405 21 HA SER 4 HA SER 4 -34.731 -1.562 -18.710 22 HB2 SER 4 HB3 SER 4 -33.560 -3.881 -18.769 23 HB3 SER 4 HB2 SER 4 -32.104 -2.961 -19.157 24 HG SER 4 HG SER 4 -32.646 -3.418 -16.835 25 H HIS 5 H HIS 5 -33.412 0.106 -17.857 26 HA HIS 5 HA HIS 5 -31.812 1.504 -19.911 27 HB2 HIS 5 HB3 HIS 5 -32.414 3.596 -18.624 28 HB3 HIS 5 HB2 HIS 5 -33.754 2.814 -19.460 29 HD1 HIS 5 HD1 HIS 5 -32.443 3.580 -16.045 30 HD2 HIS 5 HD2 HIS 5 -35.722 1.711 -17.794 31 HE1 HIS 5 HE1 HIS 5 -34.111 3.256 -14.185 32 HE2 HIS 5 HE2 HIS 5 -36.117 2.111 -15.262 33 H HIS 6 H HIS 6 -30.005 2.770 -19.150 34 HA HIS 6 HA HIS 6 -28.829 1.645 -16.686 35 HB2 HIS 6 HB3 HIS 6 -27.783 1.308 -19.094 36 HB3 HIS 6 HB2 HIS 6 -27.141 2.923 -18.799 37 HD1 HIS 6 HD1 HIS 6 -26.913 -0.618 -17.570 38 HD2 HIS 6 HD2 HIS 6 -25.086 3.065 -16.929 39 HE1 HIS 6 HE1 HIS 6 -24.863 -1.108 -16.190 40 HE2 HIS 6 HE2 HIS 6 -23.747 1.150 -15.800 41 H HIS 7 H HIS 7 -27.580 3.022 -15.342 42 HA HIS 7 HA HIS 7 -27.890 5.908 -15.804 43 HB2 HIS 7 HB3 HIS 7 -28.501 6.174 -13.373 44 HB3 HIS 7 HB2 HIS 7 -29.742 5.417 -14.370 45 HD1 HIS 7 HD1 HIS 7 -30.701 3.328 -13.451 46 HD2 HIS 7 HD2 HIS 7 -26.925 4.124 -11.894 47 HE1 HIS 7 HE1 HIS 7 -30.290 1.544 -11.720 48 HE2 HIS 7 HE2 HIS 7 -27.976 2.035 -10.770 49 H HIS 8 H HIS 8 -26.327 7.210 -14.820 50 HA HIS 8 HA HIS 8 -23.979 5.722 -13.823 51 HB2 HIS 8 HB3 HIS 8 -22.676 7.741 -14.581 52 HB3 HIS 8 HB2 HIS 8 -23.439 6.824 -15.881 53 HD1 HIS 8 HD1 HIS 8 -25.281 7.982 -17.230 54 HD2 HIS 8 HD2 HIS 8 -23.773 10.303 -14.123 55 HE1 HIS 8 HE1 HIS 8 -26.177 10.303 -17.621 56 HE2 HIS 8 HE2 HIS 8 -25.252 11.721 -15.714 57 H HIS 9 H HIS 9 -22.689 6.719 -12.167 58 HA HIS 9 HA HIS 9 -24.329 7.975 -10.145 59 HB2 HIS 9 HB3 HIS 9 -21.465 7.021 -10.206 60 HB3 HIS 9 HB2 HIS 9 -22.143 7.870 -8.818 61 HD1 HIS 9 HD1 HIS 9 -24.613 6.630 -8.077 62 HD2 HIS 9 HD2 HIS 9 -21.605 4.360 -9.840 63 HE1 HIS 9 HE1 HIS 9 -25.111 4.242 -7.452 64 HE2 HIS 9 HE2 HIS 9 -23.267 2.855 -8.535 65 H HIS 10 H HIS 10 -23.635 9.905 -8.970 66 HA HIS 10 HA HIS 10 -22.523 11.904 -10.827 67 HB2 HIS 10 HB3 HIS 10 -23.635 13.572 -9.340 68 HB3 HIS 10 HB2 HIS 10 -24.759 12.443 -10.097 69 HD1 HIS 10 HD1 HIS 10 -23.055 13.054 -6.765 70 HD2 HIS 10 HD2 HIS 10 -26.349 11.069 -8.353 71 HE1 HIS 10 HE1 HIS 10 -24.368 12.224 -4.782 72 HE2 HIS 10 HE2 HIS 10 -26.384 11.011 -5.759 73 H GLY 11 H GLY 11 -22.124 10.443 -7.680 74 HA2 GLY 11 HA3 GLY 11 -20.446 12.262 -6.423 75 HA3 GLY 11 HA2 GLY 11 -20.372 10.519 -6.194 76 H SER 12 H SER 12 -18.088 11.994 -5.998 77 HA SER 12 HA SER 12 -16.676 12.097 -8.498 78 HB2 SER 12 HB3 SER 12 -16.114 13.618 -6.646 79 HB3 SER 12 HB2 SER 12 -15.627 12.238 -5.657 80 HG SER 12 HG SER 12 -14.440 13.072 -8.103 81 H MET 13 H MET 13 -14.732 10.865 -8.972 82 HA MET 13 HA MET 13 -15.132 8.048 -8.387 83 HB2 MET 13 HB3 MET 13 -13.501 7.633 -10.114 84 HB3 MET 13 HB2 MET 13 -14.638 8.847 -10.690 85 HG2 MET 13 HG3 MET 13 -12.948 10.585 -9.979 86 HG3 MET 13 HG2 MET 13 -11.813 9.253 -9.758 87 HE1 MET 13 HE1 MET 13 -12.637 11.515 -13.477 88 HE2 MET 13 HE2 MET 13 -14.121 11.040 -12.647 89 HE3 MET 13 HE3 MET 13 -12.866 11.927 -11.775 90 H SER 14 H SER 14 -13.451 6.653 -7.622 91 HA SER 14 HA SER 14 -11.666 8.018 -5.720 92 HB2 SER 14 HB3 SER 14 -11.622 5.935 -4.475 93 HB3 SER 14 HB2 SER 14 -13.302 6.373 -4.807 94 HG SER 14 HG SER 14 -13.286 4.328 -5.443 95 H GLU 15 H GLU 15 -9.521 7.089 -5.358 96 HA GLU 15 HA GLU 15 -8.298 6.359 -7.914 97 HB2 GLU 15 HB3 GLU 15 -7.014 7.114 -5.282 98 HB3 GLU 15 HB2 GLU 15 -6.170 6.877 -6.803 99 HG2 GLU 15 HG3 GLU 15 -8.360 8.899 -6.601 100 HG3 GLU 15 HG2 GLU 15 -6.741 9.273 -6.010 101 H TYR 16 H TYR 16 -6.137 4.955 -7.359 102 HA TYR 16 HA TYR 16 -6.993 2.612 -5.793 103 HB2 TYR 16 HB3 TYR 16 -6.165 1.117 -7.566 104 HB3 TYR 16 HB2 TYR 16 -7.492 2.122 -8.137 105 HD1 TYR 16 HD1 TYR 16 -3.900 1.437 -8.405 106 HD2 TYR 16 HD2 TYR 16 -7.114 3.864 -9.790 107 HE1 TYR 16 HE1 TYR 16 -2.511 2.201 -10.283 108 HE2 TYR 16 HE2 TYR 16 -5.730 4.631 -11.673 109 HH TYR 16 HH TYR 16 -2.433 4.252 -11.805 110 H ILE 17 H ILE 17 -5.160 1.085 -5.385 111 HA ILE 17 HA ILE 17 -2.618 2.568 -5.127 112 HB ILE 17 HB ILE 17 -3.534 2.358 -2.931 113 HG12 ILE 17 HG13 ILE 17 -1.452 0.217 -3.369 114 HG13 ILE 17 HG12 ILE 17 -1.126 1.912 -3.135 115 HG21 ILE 17 HG21 ILE 17 -4.976 0.749 -2.436 116 HG22 ILE 17 HG22 ILE 17 -4.593 -0.083 -3.939 117 HG23 ILE 17 HG23 ILE 17 -3.665 -0.428 -2.482 118 HD11 ILE 17 HD11 ILE 17 -2.205 1.726 -0.888 119 HD12 ILE 17 HD12 ILE 17 -2.244 -0.020 -1.136 120 HD13 ILE 17 HD13 ILE 17 -0.700 0.827 -1.080 121 H ARG 18 H ARG 18 -0.963 1.688 -6.160 122 HA ARG 18 HA ARG 18 -1.080 -1.198 -6.787 123 HB2 ARG 18 HB3 ARG 18 -0.396 1.163 -8.419 124 HB3 ARG 18 HB2 ARG 18 0.696 -0.195 -8.587 125 HG2 ARG 18 HG3 ARG 18 -2.090 -1.002 -8.684 126 HG3 ARG 18 HG2 ARG 18 -1.667 0.166 -9.939 127 HD2 ARG 18 HD3 ARG 18 0.451 -1.677 -9.845 128 HD3 ARG 18 HD2 ARG 18 -1.031 -2.632 -9.756 129 HE ARG 18 HE ARG 18 -1.050 -0.615 -11.820 130 HH11 ARG 18 HH11 ARG 18 -0.183 -3.893 -10.999 131 HH12 ARG 18 HH12 ARG 18 -0.225 -4.451 -12.640 132 HH21 ARG 18 HH21 ARG 18 -1.107 -1.342 -13.980 133 HH22 ARG 18 HH22 ARG 18 -0.749 -3.000 -14.334 134 H VAL 19 H VAL 19 0.168 -2.173 -5.311 135 HA VAL 19 HA VAL 19 2.992 -1.450 -5.220 136 HB VAL 19 HB VAL 19 2.991 -1.663 -2.706 137 HG11 VAL 19 HG11 VAL 19 1.394 0.749 -3.288 138 HG12 VAL 19 HG12 VAL 19 2.977 0.589 -2.517 139 HG13 VAL 19 HG13 VAL 19 2.836 0.513 -4.275 140 HG21 VAL 19 HG21 VAL 19 0.918 -1.198 -1.522 141 HG22 VAL 19 HG22 VAL 19 0.037 -1.152 -3.049 142 HG23 VAL 19 HG23 VAL 19 0.756 -2.664 -2.491 143 H THR 20 H THR 20 4.356 -3.130 -4.549 144 HA THR 20 HA THR 20 3.038 -5.762 -4.270 145 HB THR 20 HB THR 20 3.922 -6.040 -6.366 146 HG1 THR 20 HG1 THR 20 6.224 -6.906 -5.964 147 HG21 THR 20 HG21 THR 20 6.190 -4.220 -5.550 148 HG22 THR 20 HG22 THR 20 4.864 -3.841 -6.651 149 HG23 THR 20 HG23 THR 20 6.080 -5.036 -7.109 150 H GLU 21 H GLU 21 4.057 -7.297 -2.952 151 HA GLU 21 HA GLU 21 5.477 -6.199 -0.728 152 HB2 GLU 21 HB3 GLU 21 3.835 -8.261 -0.906 153 HB3 GLU 21 HB2 GLU 21 5.311 -9.140 -1.197 154 HG2 GLU 21 HG3 GLU 21 5.962 -7.649 0.991 155 HG3 GLU 21 HG2 GLU 21 4.266 -7.991 1.271 156 H ASP 22 H ASP 22 6.348 -8.508 -3.296 157 HA ASP 22 HA ASP 22 9.184 -8.015 -2.642 158 HB2 ASP 22 HB3 ASP 22 8.229 -10.408 -4.192 159 HB3 ASP 22 HB2 ASP 22 9.722 -10.206 -3.276 160 H GLU 23 H GLU 23 10.576 -7.405 -4.238 161 HA GLU 23 HA GLU 23 9.545 -6.083 -6.496 162 HB2 GLU 23 HB3 GLU 23 11.906 -5.891 -7.213 163 HB3 GLU 23 HB2 GLU 23 11.669 -5.436 -5.530 164 HG2 GLU 23 HG3 GLU 23 12.603 -7.483 -4.760 165 HG3 GLU 23 HG2 GLU 23 12.625 -8.154 -6.393 166 H ASN 24 H ASN 24 10.252 -9.379 -5.957 167 HA ASN 24 HA ASN 24 10.803 -10.112 -8.671 168 HB2 ASN 24 HB3 ASN 24 10.125 -11.638 -6.168 169 HB3 ASN 24 HB2 ASN 24 10.179 -12.455 -7.728 170 HD21 ASN 24 HD21 ASN 24 12.000 -10.959 -5.210 171 HD22 ASN 24 HD22 ASN 24 13.575 -11.387 -5.803 172 H ASP 25 H ASP 25 7.937 -9.614 -6.781 173 HA ASP 25 HA ASP 25 6.276 -10.794 -8.908 174 HB2 ASP 25 HB3 ASP 25 4.556 -11.055 -7.349 175 HB3 ASP 25 HB2 ASP 25 6.002 -11.388 -6.398 176 H GLU 26 H GLU 26 4.889 -9.589 -10.102 177 HA GLU 26 HA GLU 26 5.359 -6.854 -10.443 178 HB2 GLU 26 HB3 GLU 26 3.267 -8.767 -11.369 179 HB3 GLU 26 HB2 GLU 26 2.947 -7.049 -11.560 180 HG2 GLU 26 HG3 GLU 26 3.900 -7.811 -13.584 181 HG3 GLU 26 HG2 GLU 26 5.131 -6.854 -12.758 182 HA PRO 27 HA PRO 27 2.932 -4.750 -7.455 183 HB2 PRO 27 HB3 PRO 27 1.935 -2.672 -8.873 184 HB3 PRO 27 HB2 PRO 27 3.630 -2.783 -8.416 185 HG2 PRO 27 HG3 PRO 27 2.332 -3.450 -11.033 186 HG3 PRO 27 HG2 PRO 27 3.853 -2.587 -10.725 187 HD2 PRO 27 HD3 PRO 27 3.777 -5.197 -11.443 188 HD3 PRO 27 HD2 PRO 27 5.033 -4.538 -10.374 189 H ILE 28 H ILE 28 1.061 -5.367 -6.594 190 HA ILE 28 HA ILE 28 -1.124 -6.242 -8.295 191 HB ILE 28 HB ILE 28 -0.669 -7.616 -6.386 192 HG12 ILE 28 HG13 ILE 28 -3.135 -6.793 -7.048 193 HG13 ILE 28 HG12 ILE 28 -2.840 -7.947 -5.748 194 HG21 ILE 28 HG21 ILE 28 -0.878 -5.052 -4.836 195 HG22 ILE 28 HG22 ILE 28 -1.053 -6.627 -4.062 196 HG23 ILE 28 HG23 ILE 28 0.452 -6.212 -4.881 197 HD11 ILE 28 HD11 ILE 28 -3.224 -6.372 -4.096 198 HD12 ILE 28 HD12 ILE 28 -2.957 -5.015 -5.188 199 HD13 ILE 28 HD13 ILE 28 -4.426 -5.978 -5.326 200 H GLU 29 H GLU 29 -3.150 -5.330 -8.423 201 HA GLU 29 HA GLU 29 -3.333 -2.558 -7.442 202 HB2 GLU 29 HB3 GLU 29 -5.144 -2.351 -9.198 203 HB3 GLU 29 HB2 GLU 29 -3.510 -2.600 -9.809 204 HG2 GLU 29 HG3 GLU 29 -3.974 -4.942 -10.206 205 HG3 GLU 29 HG2 GLU 29 -5.584 -4.764 -9.508 206 H ILE 30 H ILE 30 -4.647 -2.154 -5.805 207 HA ILE 30 HA ILE 30 -6.998 -3.900 -5.422 208 HB ILE 30 HB ILE 30 -6.519 -3.095 -2.890 209 HG12 ILE 30 HG13 ILE 30 -3.755 -3.756 -3.856 210 HG13 ILE 30 HG12 ILE 30 -4.313 -2.102 -3.865 211 HG21 ILE 30 HG21 ILE 30 -6.222 -5.499 -4.432 212 HG22 ILE 30 HG22 ILE 30 -5.009 -5.442 -3.151 213 HG23 ILE 30 HG23 ILE 30 -6.721 -5.303 -2.751 214 HD11 ILE 30 HD11 ILE 30 -3.151 -2.370 -1.852 215 HD12 ILE 30 HD12 ILE 30 -4.862 -2.415 -1.415 216 HD13 ILE 30 HD13 ILE 30 -3.936 -3.915 -1.515 217 HA PRO 31 HA PRO 31 -9.475 -0.291 -5.134 218 HB2 PRO 31 HB3 PRO 31 -11.266 -0.976 -3.211 219 HB3 PRO 31 HB2 PRO 31 -11.282 -1.679 -4.836 220 HG2 PRO 31 HG3 PRO 31 -10.165 -2.801 -2.294 221 HG3 PRO 31 HG2 PRO 31 -11.112 -3.614 -3.556 222 HD2 PRO 31 HD3 PRO 31 -8.420 -3.844 -3.381 223 HD3 PRO 31 HD2 PRO 31 -9.282 -3.883 -4.933 224 H SER 32 H SER 32 -9.895 1.579 -3.922 225 HA SER 32 HA SER 32 -8.824 1.705 -1.197 226 HB2 SER 32 HB3 SER 32 -7.177 3.220 -1.623 227 HB3 SER 32 HB2 SER 32 -7.208 2.479 -3.223 228 HG SER 32 HG SER 32 -7.330 4.759 -3.340 229 H GLU 33 H GLU 33 -9.405 3.743 -0.092 230 HA GLU 33 HA GLU 33 -12.163 4.324 -0.480 231 HB2 GLU 33 HB3 GLU 33 -10.585 4.452 1.660 232 HB3 GLU 33 HB2 GLU 33 -10.448 6.133 1.156 233 HG2 GLU 33 HG3 GLU 33 -12.940 6.263 1.175 234 HG3 GLU 33 HG2 GLU 33 -12.962 4.644 1.874 235 H ASP 34 H ASP 34 -13.080 6.477 -0.798 236 HA ASP 34 HA ASP 34 -12.089 7.698 -3.153 237 HB2 ASP 34 HB3 ASP 34 -14.502 7.628 -2.345 238 HB3 ASP 34 HB2 ASP 34 -14.073 8.929 -1.235 239 H ASP 35 H ASP 35 -11.566 8.299 0.221 240 HA ASP 35 HA ASP 35 -10.663 10.985 0.000 241 HB2 ASP 35 HB3 ASP 35 -11.322 9.458 2.097 242 HB3 ASP 35 HB2 ASP 35 -9.573 9.231 2.143 243 H GLY 36 H GLY 36 -9.255 7.967 -0.791 244 HA2 GLY 36 HA3 GLY 36 -7.287 8.068 -2.236 245 HA3 GLY 36 HA2 GLY 36 -6.653 9.315 -1.189 246 H THR 37 H THR 37 -7.835 7.554 1.090 247 HA THR 37 HA THR 37 -5.346 6.158 1.585 248 HB THR 37 HB THR 37 -6.222 5.673 3.779 249 HG1 THR 37 HG1 THR 37 -8.484 6.579 4.141 250 HG21 THR 37 HG21 THR 37 -6.129 8.326 2.679 251 HG22 THR 37 HG22 THR 37 -5.665 7.770 4.287 252 HG23 THR 37 HG23 THR 37 -7.331 8.251 3.967 253 H VAL 38 H VAL 38 -5.970 3.932 2.941 254 HA VAL 38 HA VAL 38 -7.680 2.293 1.203 255 HB VAL 38 HB VAL 38 -4.800 1.677 1.867 256 HG11 VAL 38 HG11 VAL 38 -5.286 -0.437 0.530 257 HG12 VAL 38 HG12 VAL 38 -5.903 -0.373 2.183 258 HG13 VAL 38 HG13 VAL 38 -6.994 -0.093 0.820 259 HG21 VAL 38 HG21 VAL 38 -5.484 3.157 -0.134 260 HG22 VAL 38 HG22 VAL 38 -4.360 1.828 -0.410 261 HG23 VAL 38 HG23 VAL 38 -6.062 1.653 -0.851 262 H LEU 39 H LEU 39 -9.083 1.253 2.439 263 HA LEU 39 HA LEU 39 -8.977 1.134 5.230 264 HB2 LEU 39 HB3 LEU 39 -10.750 0.337 3.177 265 HB3 LEU 39 HB2 LEU 39 -10.497 -1.067 4.213 266 HG LEU 39 HG LEU 39 -12.455 0.120 4.942 267 HD11 LEU 39 HD11 LEU 39 -10.440 0.932 6.983 268 HD12 LEU 39 HD12 LEU 39 -10.623 -0.777 6.585 269 HD13 LEU 39 HD13 LEU 39 -12.003 0.139 7.191 270 HD21 LEU 39 HD21 LEU 39 -10.638 2.501 4.857 271 HD22 LEU 39 HD22 LEU 39 -12.051 2.482 5.916 272 HD23 LEU 39 HD23 LEU 39 -12.252 2.300 4.170 273 H LEU 40 H LEU 40 -8.546 -0.540 6.688 274 HA LEU 40 HA LEU 40 -6.274 -2.109 6.115 275 HB2 LEU 40 HB3 LEU 40 -7.412 -1.281 8.373 276 HB3 LEU 40 HB2 LEU 40 -8.091 -2.909 8.326 277 HG LEU 40 HG LEU 40 -5.130 -2.375 8.172 278 HD11 LEU 40 HD11 LEU 40 -5.900 -3.429 10.697 279 HD12 LEU 40 HD12 LEU 40 -6.835 -1.963 10.399 280 HD13 LEU 40 HD13 LEU 40 -5.071 -1.915 10.337 281 HD21 LEU 40 HD21 LEU 40 -6.879 -4.755 8.299 282 HD22 LEU 40 HD22 LEU 40 -5.410 -4.803 9.275 283 HD23 LEU 40 HD23 LEU 40 -5.304 -4.539 7.532 284 H SER 41 H SER 41 -9.642 -2.687 5.664 285 HA SER 41 HA SER 41 -9.635 -5.515 5.704 286 HB2 SER 41 HB3 SER 41 -11.736 -5.284 4.337 287 HB3 SER 41 HB2 SER 41 -11.733 -4.338 5.829 288 HG SER 41 HG SER 41 -12.412 -2.940 4.299 289 H THR 42 H THR 42 -8.933 -3.152 3.194 290 HA THR 42 HA THR 42 -8.731 -5.138 1.108 291 HB THR 42 HB THR 42 -7.700 -2.301 1.008 292 HG1 THR 42 HG1 THR 42 -9.805 -1.980 1.445 293 HG21 THR 42 HG21 THR 42 -7.120 -4.040 -0.792 294 HG22 THR 42 HG22 THR 42 -7.803 -2.507 -1.326 295 HG23 THR 42 HG23 THR 42 -8.821 -3.947 -1.244 296 H VAL 43 H VAL 43 -6.594 -3.607 3.388 297 HA VAL 43 HA VAL 43 -4.139 -4.182 2.065 298 HB VAL 43 HB VAL 43 -4.804 -3.621 4.958 299 HG11 VAL 43 HG11 VAL 43 -2.192 -3.232 4.974 300 HG12 VAL 43 HG12 VAL 43 -2.887 -4.820 5.313 301 HG13 VAL 43 HG13 VAL 43 -2.235 -4.462 3.711 302 HG21 VAL 43 HG21 VAL 43 -4.866 -1.541 4.141 303 HG22 VAL 43 HG22 VAL 43 -3.111 -1.667 4.002 304 HG23 VAL 43 HG23 VAL 43 -4.133 -2.027 2.610 305 H THR 44 H THR 44 -6.068 -5.921 4.471 306 HA THR 44 HA THR 44 -4.154 -8.058 4.727 307 HB THR 44 HB THR 44 -5.771 -9.145 6.142 308 HG1 THR 44 HG1 THR 44 -7.904 -8.040 6.348 309 HG21 THR 44 HG21 THR 44 -5.277 -7.694 7.760 310 HG22 THR 44 HG22 THR 44 -6.539 -6.603 7.185 311 HG23 THR 44 HG23 THR 44 -4.900 -6.474 6.544 312 H ALA 45 H ALA 45 -6.527 -7.249 2.450 313 HA ALA 45 HA ALA 45 -7.471 -9.803 1.698 314 HB1 ALA 45 HB1 ALA 45 -8.474 -7.595 1.036 315 HB2 ALA 45 HB2 ALA 45 -8.493 -7.633 1.032 316 HB3 ALA 45 HB3 ALA 45 -8.263 -8.757 -0.304 317 H GLN 46 H GLN 46 -4.781 -7.824 0.465 318 HA GLN 46 HA GLN 46 -3.769 -10.225 -0.925 319 HB2 GLN 46 HB3 GLN 46 -3.658 -7.307 -1.595 320 HB3 GLN 46 HB2 GLN 46 -2.381 -8.368 -2.163 321 HG2 GLN 46 HG3 GLN 46 -4.414 -7.899 -3.681 322 HG3 GLN 46 HG2 GLN 46 -3.791 -9.547 -3.554 323 HE21 GLN 46 HE21 GLN 46 -5.152 -11.111 -2.996 324 HE22 GLN 46 HE22 GLN 46 -6.759 -10.875 -2.384 325 H PHE 47 H PHE 47 -3.201 -7.989 1.581 326 HA PHE 47 HA PHE 47 -0.464 -9.051 1.905 327 HB2 PHE 47 HB3 PHE 47 -1.186 -6.299 2.852 328 HB3 PHE 47 HB2 PHE 47 0.386 -6.964 2.508 329 HD1 PHE 47 HD1 PHE 47 0.268 -7.981 -0.140 330 HD2 PHE 47 HD2 PHE 47 -1.633 -4.526 1.465 331 HE1 PHE 47 HE1 PHE 47 0.201 -6.982 -2.384 332 HE2 PHE 47 HE2 PHE 47 -1.706 -3.519 -0.778 333 HZ PHE 47 HZ PHE 47 -0.797 -4.743 -2.708 334 HA PRO 48 HA PRO 48 -3.044 -9.999 5.638 335 HB2 PRO 48 HB3 PRO 48 -2.143 -12.549 5.890 336 HB3 PRO 48 HB2 PRO 48 -3.506 -12.109 4.858 337 HG2 PRO 48 HG3 PRO 48 -0.647 -12.605 4.114 338 HG3 PRO 48 HG2 PRO 48 -2.125 -13.135 3.293 339 HD2 PRO 48 HD3 PRO 48 -0.676 -11.013 2.448 340 HD3 PRO 48 HD2 PRO 48 -2.440 -11.096 2.262 341 H GLY 49 H GLY 49 -2.294 -9.504 7.604 342 HA2 GLY 49 HA3 GLY 49 -0.863 -9.488 9.432 343 HA3 GLY 49 HA2 GLY 49 0.284 -10.445 8.519 344 H ALA 50 H ALA 50 -0.666 -7.817 6.693 345 HA ALA 50 HA ALA 50 1.883 -6.496 7.176 346 HB1 ALA 50 HB1 ALA 50 1.640 -5.489 5.111 347 HB2 ALA 50 HB2 ALA 50 1.610 -5.455 5.125 348 HB3 ALA 50 HB3 ALA 50 -0.147 -5.563 5.182 349 H CYS 51 H CYS 51 1.930 -5.151 8.862 350 HA CYS 51 HA CYS 51 -0.417 -3.533 9.507 351 HB2 CYS 51 HB3 CYS 51 1.145 -4.802 11.184 352 HB3 CYS 51 HB2 CYS 51 2.177 -3.393 11.004 353 HG CYS 51 HG CYS 51 0.343 -3.498 13.339 354 H GLY 52 H GLY 52 3.061 -3.007 8.890 355 HA2 GLY 52 HA3 GLY 52 2.367 -0.271 8.026 356 HA3 GLY 52 HA2 GLY 52 3.850 -0.654 8.844 357 H LEU 53 H LEU 53 2.871 0.327 6.017 358 HA LEU 53 HA LEU 53 4.667 -1.447 4.485 359 HB2 LEU 53 HB3 LEU 53 2.526 0.315 3.320 360 HB3 LEU 53 HB2 LEU 53 3.417 -0.975 2.524 361 HG LEU 53 HG LEU 53 1.345 -1.933 2.856 362 HD11 LEU 53 HD11 LEU 53 3.419 -3.029 4.151 363 HD12 LEU 53 HD12 LEU 53 1.813 -3.751 4.111 364 HD13 LEU 53 HD13 LEU 53 2.316 -2.803 5.511 365 HD21 LEU 53 HD21 LEU 53 0.672 0.051 4.382 366 HD22 LEU 53 HD22 LEU 53 1.126 -1.026 5.704 367 HD23 LEU 53 HD23 LEU 53 -0.148 -1.500 4.579 368 H ARG 54 H ARG 54 6.319 -0.573 3.333 369 HA ARG 54 HA ARG 54 6.740 2.327 3.664 370 HB2 ARG 54 HB3 ARG 54 8.438 0.062 4.092 371 HB3 ARG 54 HB2 ARG 54 9.133 1.053 2.824 372 HG2 ARG 54 HG3 ARG 54 9.207 2.961 4.254 373 HG3 ARG 54 HG2 ARG 54 8.262 2.133 5.496 374 HD2 ARG 54 HD3 ARG 54 10.431 0.452 5.024 375 HD3 ARG 54 HD2 ARG 54 11.114 2.080 4.991 376 HE ARG 54 HE ARG 54 9.374 1.659 7.229 377 HH11 ARG 54 HH11 ARG 54 12.607 1.163 6.022 378 HH12 ARG 54 HH12 ARG 54 13.326 1.103 7.598 379 HH21 ARG 54 HH21 ARG 54 10.310 1.581 9.307 380 HH22 ARG 54 HH22 ARG 54 12.020 1.340 9.466 381 H TYR 55 H TYR 55 8.213 3.256 1.889 382 HA TYR 55 HA TYR 55 7.099 2.405 -0.704 383 HB2 TYR 55 HB3 TYR 55 7.901 5.043 0.422 384 HB3 TYR 55 HB2 TYR 55 8.045 4.807 -1.306 385 HD1 TYR 55 HD1 TYR 55 5.732 3.244 -2.020 386 HD2 TYR 55 HD2 TYR 55 6.057 6.383 0.830 387 HE1 TYR 55 HE1 TYR 55 3.336 3.730 -2.289 388 HE2 TYR 55 HE2 TYR 55 3.663 6.877 0.572 389 HH TYR 55 HH TYR 55 1.880 6.126 -1.822 390 H ARG 56 H ARG 56 8.394 1.561 -2.193 391 HA ARG 56 HA ARG 56 11.300 2.004 -1.942 392 HB2 ARG 56 HB3 ARG 56 10.650 -0.277 -1.208 393 HB3 ARG 56 HB2 ARG 56 9.949 -0.565 -2.796 394 HG2 ARG 56 HG3 ARG 56 12.175 -1.565 -2.548 395 HG3 ARG 56 HG2 ARG 56 12.114 -0.361 -3.840 396 HD2 ARG 56 HD3 ARG 56 13.119 1.296 -2.360 397 HD3 ARG 56 HD2 ARG 56 13.148 0.117 -1.044 398 HE ARG 56 HE ARG 56 14.971 0.294 -3.277 399 HH11 ARG 56 HH11 ARG 56 13.629 -1.764 -0.800 400 HH12 ARG 56 HH12 ARG 56 14.974 -2.859 -0.798 401 HH21 ARG 56 HH21 ARG 56 16.745 -1.140 -3.277 402 HH22 ARG 56 HH22 ARG 56 16.745 -2.503 -2.205 403 H ASN 57 H ASN 57 11.711 3.390 -3.562 404 HA ASN 57 HA ASN 57 10.926 2.553 -6.273 405 HB2 ASN 57 HB3 ASN 57 10.150 4.967 -4.891 406 HB3 ASN 57 HB2 ASN 57 11.077 5.354 -6.327 407 HD21 ASN 57 HD21 ASN 57 10.372 3.419 -8.071 408 HD22 ASN 57 HD22 ASN 57 8.678 3.520 -8.429 409 HA PRO 58 HA PRO 58 15.411 2.960 -6.468 410 HB2 PRO 58 HB3 PRO 58 15.648 1.604 -8.812 411 HB3 PRO 58 HB2 PRO 58 15.460 0.802 -7.255 412 HG2 PRO 58 HG3 PRO 58 13.403 1.370 -9.348 413 HG3 PRO 58 HG2 PRO 58 13.650 -0.107 -8.395 414 HD2 PRO 58 HD3 PRO 58 11.740 1.712 -7.786 415 HD3 PRO 58 HD2 PRO 58 12.563 0.759 -6.551 416 H VAL 59 H VAL 59 12.952 3.916 -8.731 417 HA VAL 59 HA VAL 59 14.803 5.388 -10.419 418 HB VAL 59 HB VAL 59 12.749 6.131 -11.618 419 HG11 VAL 59 HG11 VAL 59 12.136 3.365 -11.754 420 HG12 VAL 59 HG12 VAL 59 13.134 4.325 -12.851 421 HG13 VAL 59 HG13 VAL 59 13.870 3.516 -11.461 422 HG21 VAL 59 HG21 VAL 59 11.327 5.909 -9.492 423 HG22 VAL 59 HG22 VAL 59 10.601 5.417 -11.023 424 HG23 VAL 59 HG23 VAL 59 11.217 4.195 -9.903 425 H SER 60 H SER 60 13.004 5.926 -7.579 426 HA SER 60 HA SER 60 12.805 8.806 -7.956 427 HB2 SER 60 HB3 SER 60 12.019 6.991 -5.671 428 HB3 SER 60 HB2 SER 60 11.827 8.745 -5.634 429 HG SER 60 HG SER 60 9.913 7.972 -6.371 430 H GLN 61 H GLN 61 14.828 6.471 -6.356 431 HA GLN 61 HA GLN 61 16.808 6.659 -5.246 432 HB2 GLN 61 HB3 GLN 61 16.864 9.518 -6.223 433 HB3 GLN 61 HB2 GLN 61 18.236 8.539 -5.720 434 HG2 GLN 61 HG3 GLN 61 16.499 7.861 -8.081 435 HG3 GLN 61 HG2 GLN 61 17.958 8.844 -8.193 436 HE21 GLN 61 HE21 GLN 61 18.458 7.025 -9.713 437 HE22 GLN 61 HE22 GLN 61 19.262 5.639 -9.048 438 H CYS 62 H CYS 62 14.318 7.258 -3.903 439 HA CYS 62 HA CYS 62 15.396 8.917 -1.717 440 HB2 CYS 62 HB3 CYS 62 12.678 9.061 -3.003 441 HB3 CYS 62 HB2 CYS 62 12.922 9.583 -1.339 442 HG CYS 62 HG CYS 62 13.595 11.171 -4.161 443 H MET 63 H MET 63 13.634 8.633 0.218 444 HA MET 63 HA MET 63 12.960 5.787 0.457 445 HB2 MET 63 HB3 MET 63 13.927 5.867 2.818 446 HB3 MET 63 HB2 MET 63 15.077 5.774 1.489 447 HG2 MET 63 HG3 MET 63 15.906 7.841 1.875 448 HG3 MET 63 HG2 MET 63 14.358 8.481 2.423 449 HE1 MET 63 HE1 MET 63 15.709 9.606 5.267 450 HE2 MET 63 HE2 MET 63 14.327 9.503 4.173 451 HE3 MET 63 HE3 MET 63 14.261 8.719 5.754 452 H ARG 64 H ARG 64 10.790 6.108 0.543 453 HA ARG 64 HA ARG 64 9.791 7.851 2.709 454 HB2 ARG 64 HB3 ARG 64 9.246 8.148 0.061 455 HB3 ARG 64 HB2 ARG 64 7.924 7.100 0.551 456 HG2 ARG 64 HG3 ARG 64 8.000 9.039 2.526 457 HG3 ARG 64 HG2 ARG 64 8.326 9.924 1.032 458 HD2 ARG 64 HD3 ARG 64 6.317 8.679 0.059 459 HD3 ARG 64 HD2 ARG 64 5.937 8.229 1.720 460 HE ARG 64 HE ARG 64 5.558 10.793 0.495 461 HH11 ARG 64 HH11 ARG 64 6.137 9.143 3.513 462 HH12 ARG 64 HH12 ARG 64 5.434 10.397 4.482 463 HH21 ARG 64 HH21 ARG 64 4.630 12.445 1.764 464 HH22 ARG 64 HH22 ARG 64 4.577 12.274 3.487 465 H GLY 65 H GLY 65 7.256 7.080 2.991 466 HA2 GLY 65 HA3 GLY 65 6.971 4.212 3.048 467 HA3 GLY 65 HA2 GLY 65 7.272 4.904 4.637 468 H VAL 66 H VAL 66 4.890 3.550 3.369 469 HA VAL 66 HA VAL 66 2.837 5.495 3.063 470 HB VAL 66 HB VAL 66 2.611 2.561 3.766 471 HG11 VAL 66 HG11 VAL 66 0.306 2.744 2.978 472 HG12 VAL 66 HG12 VAL 66 0.593 3.804 4.359 473 HG13 VAL 66 HG13 VAL 66 0.524 4.478 2.730 474 HG21 VAL 66 HG21 VAL 66 3.740 3.337 1.561 475 HG22 VAL 66 HG22 VAL 66 2.499 2.083 1.499 476 HG23 VAL 66 HG23 VAL 66 2.096 3.750 1.068 477 H ARG 67 H ARG 67 1.272 6.204 4.485 478 HA ARG 67 HA ARG 67 2.011 6.062 7.303 479 HB2 ARG 67 HB3 ARG 67 1.546 8.263 6.515 480 HB3 ARG 67 HB2 ARG 67 0.036 7.749 5.764 481 HG2 ARG 67 HG3 ARG 67 -0.434 8.991 7.770 482 HG3 ARG 67 HG2 ARG 67 -0.896 7.302 7.999 483 HD2 ARG 67 HD3 ARG 67 1.459 7.032 9.022 484 HD3 ARG 67 HD2 ARG 67 1.447 8.792 9.135 485 HE ARG 67 HE ARG 67 -0.074 6.927 10.735 486 HH11 ARG 67 HH11 ARG 67 0.189 10.208 9.584 487 HH12 ARG 67 HH12 ARG 67 -0.741 10.877 10.888 488 HH21 ARG 67 HH21 ARG 67 -1.295 7.797 12.452 489 HH22 ARG 67 HH22 ARG 67 -1.583 9.505 12.518 490 H LEU 68 H LEU 68 0.807 5.145 8.897 491 HA LEU 68 HA LEU 68 -1.652 3.740 8.067 492 HB2 LEU 68 HB3 LEU 68 0.140 2.145 8.396 493 HB3 LEU 68 HB2 LEU 68 0.492 2.827 9.983 494 HG LEU 68 HG LEU 68 -0.818 0.595 9.795 495 HD11 LEU 68 HD11 LEU 68 -0.553 2.470 11.743 496 HD12 LEU 68 HD12 LEU 68 -1.373 0.919 11.945 497 HD13 LEU 68 HD13 LEU 68 -2.310 2.374 11.594 498 HD21 LEU 68 HD21 LEU 68 -3.247 2.309 9.754 499 HD22 LEU 68 HD22 LEU 68 -3.036 0.627 9.265 500 HD23 LEU 68 HD23 LEU 68 -2.484 1.928 8.212 501 H VAL 69 H VAL 69 -3.379 4.559 9.025 502 HA VAL 69 HA VAL 69 -3.205 5.299 11.867 503 HB VAL 69 HB VAL 69 -3.009 7.404 10.689 504 HG11 VAL 69 HG11 VAL 69 -4.688 6.186 8.797 505 HG12 VAL 69 HG12 VAL 69 -5.589 7.561 9.439 506 HG13 VAL 69 HG13 VAL 69 -3.988 7.802 8.735 507 HG21 VAL 69 HG21 VAL 69 -5.872 7.355 11.550 508 HG22 VAL 69 HG22 VAL 69 -4.592 7.040 12.725 509 HG23 VAL 69 HG23 VAL 69 -4.632 8.573 11.850 510 H GLU 70 H GLU 70 -4.738 4.318 12.997 511 HA GLU 70 HA GLU 70 -6.641 3.188 13.542 512 HB2 GLU 70 HB3 GLU 70 -7.831 4.850 11.311 513 HB3 GLU 70 HB2 GLU 70 -8.747 3.964 12.521 514 HG2 GLU 70 HG3 GLU 70 -7.050 6.404 12.868 515 HG3 GLU 70 HG2 GLU 70 -8.752 6.174 13.263 516 H GLY 71 H GLY 71 -4.828 2.233 11.327 517 HA2 GLY 71 HA3 GLY 71 -4.846 0.082 10.361 518 HA3 GLY 71 HA2 GLY 71 -6.604 0.085 10.433 519 H ILE 72 H ILE 72 -6.613 2.845 9.226 520 HA ILE 72 HA ILE 72 -6.678 1.952 6.474 521 HB ILE 72 HB ILE 72 -7.208 4.720 7.559 522 HG12 ILE 72 HG13 ILE 72 -9.649 3.630 6.945 523 HG13 ILE 72 HG12 ILE 72 -8.800 2.244 7.602 524 HG21 ILE 72 HG21 ILE 72 -7.549 5.334 5.457 525 HG22 ILE 72 HG22 ILE 72 -6.980 3.751 4.928 526 HG23 ILE 72 HG23 ILE 72 -8.699 4.013 5.218 527 HD11 ILE 72 HD11 ILE 72 -9.368 2.978 9.610 528 HD12 ILE 72 HD12 ILE 72 -8.243 4.316 9.368 529 HD13 ILE 72 HD13 ILE 72 -9.947 4.510 8.955 530 H LEU 73 H LEU 73 -4.934 1.954 5.233 531 HA LEU 73 HA LEU 73 -2.583 3.452 5.894 532 HB2 LEU 73 HB3 LEU 73 -3.377 1.675 3.614 533 HB3 LEU 73 HB2 LEU 73 -1.882 2.587 3.558 534 HG LEU 73 HG LEU 73 -1.420 0.338 4.269 535 HD11 LEU 73 HD11 LEU 73 -1.252 2.174 6.654 536 HD12 LEU 73 HD12 LEU 73 -0.139 2.196 5.290 537 HD13 LEU 73 HD13 LEU 73 -0.237 0.769 6.324 538 HD21 LEU 73 HD21 LEU 73 -3.825 0.139 5.260 539 HD22 LEU 73 HD22 LEU 73 -3.052 0.686 6.746 540 HD23 LEU 73 HD23 LEU 73 -2.501 -0.794 5.961 541 H HIS 74 H HIS 74 -2.535 5.587 5.636 542 HA HIS 74 HA HIS 74 -4.029 6.864 3.495 543 HB2 HIS 74 HB3 HIS 74 -4.052 7.949 5.653 544 HB3 HIS 74 HB2 HIS 74 -2.299 7.979 5.705 545 HD1 HIS 74 HD1 HIS 74 -4.322 9.007 2.690 546 HD2 HIS 74 HD2 HIS 74 -2.008 10.720 5.693 547 HE1 HIS 74 HE1 HIS 74 -4.035 11.418 2.030 548 HE2 HIS 74 HE2 HIS 74 -2.620 12.465 3.872 549 H ALA 75 H ALA 75 -3.210 7.729 1.668 550 HA ALA 75 HA ALA 75 -0.486 7.032 0.961 551 HB1 ALA 75 HB1 ALA 75 -2.943 7.693 -0.461 552 HB2 ALA 75 HB2 ALA 75 -2.936 7.645 -0.453 553 HB3 ALA 75 HB3 ALA 75 -1.528 6.731 -0.980 554 HA PRO 76 HA PRO 76 1.444 10.927 1.555 555 HB2 PRO 76 HB3 PRO 76 3.077 11.094 -0.612 556 HB3 PRO 76 HB2 PRO 76 3.371 9.983 0.733 557 HG2 PRO 76 HG3 PRO 76 2.134 9.443 -1.930 558 HG3 PRO 76 HG2 PRO 76 3.308 8.480 -1.039 559 HD2 PRO 76 HD3 PRO 76 0.672 7.875 -1.070 560 HD3 PRO 76 HD2 PRO 76 1.703 7.549 0.334 561 H ASP 77 H ASP 77 2.230 12.910 0.036 562 HA ASP 77 HA ASP 77 -0.231 14.061 -0.933 563 HB2 ASP 77 HB3 ASP 77 2.580 15.186 -0.921 564 HB3 ASP 77 HB2 ASP 77 1.110 16.099 -1.265 565 H ALA 78 H ALA 78 1.900 12.004 -2.321 566 HA ALA 78 HA ALA 78 1.648 13.209 -4.998 567 HB1 ALA 78 HB1 ALA 78 3.740 12.562 -5.391 568 HB2 ALA 78 HB2 ALA 78 3.719 12.528 -5.419 569 HB3 ALA 78 HB3 ALA 78 3.344 10.881 -4.918 570 H GLY 79 H GLY 79 0.877 10.411 -3.044 571 HA2 GLY 79 HA3 GLY 79 -1.260 9.339 -3.771 572 HA3 GLY 79 HA2 GLY 79 -0.538 9.253 -5.360 573 H TRP 80 H TRP 80 -1.188 6.936 -4.989 574 HA TRP 80 HA TRP 80 0.478 5.418 -3.177 575 HB2 TRP 80 HB3 TRP 80 -1.565 4.614 -5.255 576 HB3 TRP 80 HB2 TRP 80 -0.643 3.449 -4.326 577 HD1 TRP 80 HD1 TRP 80 -3.844 5.167 -4.256 578 HE1 TRP 80 HE1 TRP 80 -4.912 5.100 -1.910 579 HE3 TRP 80 HE3 TRP 80 0.246 3.704 -1.565 580 HZ2 TRP 80 HZ2 TRP 80 -4.110 4.496 0.729 581 HZ3 TRP 80 HZ3 TRP 80 0.011 3.404 0.865 582 HH2 TRP 80 HH2 TRP 80 -2.121 3.793 1.986 583 H GLY 81 H GLY 81 0.031 5.377 -6.728 584 HA2 GLY 81 HA3 GLY 81 1.743 5.349 -8.338 585 HA3 GLY 81 HA2 GLY 81 2.915 5.056 -7.059 586 H ASN 82 H ASN 82 3.646 3.517 -8.818 587 HA ASN 82 HA ASN 82 2.319 0.917 -8.398 588 HB2 ASN 82 HB3 ASN 82 3.758 1.566 -10.955 589 HB3 ASN 82 HB2 ASN 82 2.555 0.314 -10.648 590 HD21 ASN 82 HD21 ASN 82 0.463 0.743 -11.000 591 HD22 ASN 82 HD22 ASN 82 -0.158 2.286 -11.500 592 H LEU 83 H LEU 83 4.427 1.943 -6.834 593 HA LEU 83 HA LEU 83 6.817 0.526 -7.782 594 HB2 LEU 83 HB3 LEU 83 7.846 1.587 -5.720 595 HB3 LEU 83 HB2 LEU 83 7.366 2.665 -7.025 596 HG LEU 83 HG LEU 83 6.884 3.358 -4.587 597 HD11 LEU 83 HD11 LEU 83 5.622 3.877 -7.040 598 HD12 LEU 83 HD12 LEU 83 5.621 4.881 -5.586 599 HD13 LEU 83 HD13 LEU 83 4.332 3.704 -5.848 600 HD21 LEU 83 HD21 LEU 83 4.541 1.515 -5.043 601 HD22 LEU 83 HD22 LEU 83 4.819 2.552 -3.647 602 HD23 LEU 83 HD23 LEU 83 5.885 1.180 -3.949 603 H VAL 84 H VAL 84 8.071 -0.300 -5.596 604 HA VAL 84 HA VAL 84 6.334 -2.453 -4.632 605 HB VAL 84 HB VAL 84 9.314 -2.161 -4.220 606 HG11 VAL 84 HG11 VAL 84 8.153 -3.709 -2.701 607 HG12 VAL 84 HG12 VAL 84 7.515 -4.582 -4.096 608 HG13 VAL 84 HG13 VAL 84 9.252 -4.550 -3.793 609 HG21 VAL 84 HG21 VAL 84 9.559 -2.535 -6.402 610 HG22 VAL 84 HG22 VAL 84 8.867 -4.135 -6.130 611 HG23 VAL 84 HG23 VAL 84 7.826 -2.798 -6.618 612 H TYR 85 H TYR 85 6.005 -2.910 -2.466 613 HA TYR 85 HA TYR 85 6.757 -0.750 -0.599 614 HB2 TYR 85 HB3 TYR 85 4.682 -0.874 0.422 615 HB3 TYR 85 HB2 TYR 85 4.256 -1.161 -1.238 616 HD1 TYR 85 HD1 TYR 85 3.632 -3.418 -1.998 617 HD2 TYR 85 HD2 TYR 85 4.479 -2.614 2.090 618 HE1 TYR 85 HE1 TYR 85 2.562 -5.542 -1.367 619 HE2 TYR 85 HE2 TYR 85 3.411 -4.731 2.733 620 HH TYR 85 HH TYR 85 2.370 -6.557 2.034 621 H VAL 86 H VAL 86 7.433 -1.290 1.469 622 HA VAL 86 HA VAL 86 8.352 -4.069 1.758 623 HB VAL 86 HB VAL 86 9.230 -1.581 3.233 624 HG11 VAL 86 HG11 VAL 86 11.143 -3.179 3.889 625 HG12 VAL 86 HG12 VAL 86 9.602 -3.314 4.741 626 HG13 VAL 86 HG13 VAL 86 10.011 -4.465 3.465 627 HG21 VAL 86 HG21 VAL 86 11.364 -2.690 1.814 628 HG22 VAL 86 HG22 VAL 86 9.997 -2.725 0.696 629 HG23 VAL 86 HG23 VAL 86 10.493 -1.202 1.439 630 H VAL 87 H VAL 87 7.291 -5.385 3.073 631 HA VAL 87 HA VAL 87 5.159 -4.509 4.732 632 HB VAL 87 HB VAL 87 5.212 -6.870 5.618 633 HG11 VAL 87 HG11 VAL 87 3.746 -6.430 3.820 634 HG12 VAL 87 HG12 VAL 87 5.077 -6.323 2.661 635 HG13 VAL 87 HG13 VAL 87 4.637 -7.883 3.364 636 HG21 VAL 87 HG21 VAL 87 6.890 -8.289 5.184 637 HG22 VAL 87 HG22 VAL 87 7.015 -7.776 3.501 638 HG23 VAL 87 HG23 VAL 87 7.820 -6.849 4.766 639 H ASN 88 H ASN 88 4.971 -4.494 6.990 640 HA ASN 88 HA ASN 88 7.417 -4.771 8.569 641 HB2 ASN 88 HB3 ASN 88 7.088 -2.342 7.744 642 HB3 ASN 88 HB2 ASN 88 5.746 -2.284 8.881 643 HD21 ASN 88 HD21 ASN 88 6.162 -1.772 10.913 644 HD22 ASN 88 HD22 ASN 88 7.742 -1.721 11.637 645 H TYR 89 H TYR 89 6.778 -6.284 9.969 646 HA TYR 89 HA TYR 89 4.063 -6.421 10.936 647 HB2 TYR 89 HB3 TYR 89 6.440 -7.986 11.951 648 HB3 TYR 89 HB2 TYR 89 4.735 -8.421 12.062 649 HD1 TYR 89 HD2 TYR 89 3.717 -8.054 9.388 650 HD2 TYR 89 HD1 TYR 89 7.503 -9.555 10.627 651 HE1 TYR 89 HE2 TYR 89 3.896 -9.316 7.288 652 HE2 TYR 89 HE1 TYR 89 7.694 -10.822 8.527 653 HH TYR 89 HH TYR 89 5.060 -11.247 6.391 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -13.077 21.806 -6.320 2 H2 MET 1 H2 MET 1 -12.380 23.059 -5.496 3 H3 MET 1 H3 MET 1 -13.973 23.141 -5.932 4 HA MET 1 HA MET 1 -12.529 24.491 -7.293 5 HB2 MET 1 HB3 MET 1 -11.559 21.817 -8.317 6 HB3 MET 1 HB2 MET 1 -11.026 23.414 -8.835 7 HG2 MET 1 HG3 MET 1 -10.040 23.812 -6.649 8 HG3 MET 1 HG2 MET 1 -10.605 22.236 -6.096 9 HE1 MET 1 HE1 MET 1 -7.912 23.509 -5.897 10 HE2 MET 1 HE2 MET 1 -6.642 22.475 -6.556 11 HE3 MET 1 HE3 MET 1 -7.221 23.862 -7.483 12 H ALA 2 H ALA 2 -14.945 24.568 -7.539 13 HA ALA 2 HA ALA 2 -15.626 24.022 -10.252 14 HB1 ALA 2 HB1 ALA 2 -16.242 21.970 -8.335 15 HB2 ALA 2 HB2 ALA 2 -16.214 21.959 -8.369 16 HB3 ALA 2 HB3 ALA 2 -16.558 22.014 -10.094 17 H GLY 3 H GLY 3 -17.791 24.808 -10.811 18 HA2 GLY 3 HA3 GLY 3 -18.422 27.170 -9.261 19 HA3 GLY 3 HA2 GLY 3 -19.160 26.686 -10.783 20 H SER 4 H SER 4 -20.654 24.762 -10.634 21 HA SER 4 HA SER 4 -22.529 25.265 -8.486 22 HB2 SER 4 HB3 SER 4 -23.795 23.368 -9.788 23 HB3 SER 4 HB2 SER 4 -23.656 24.979 -10.495 24 HG SER 4 HG SER 4 -23.096 23.417 -12.024 25 H HIS 5 H HIS 5 -23.671 23.239 -7.562 26 HA HIS 5 HA HIS 5 -21.628 21.704 -6.196 27 HB2 HIS 5 HB3 HIS 5 -23.495 22.578 -4.904 28 HB3 HIS 5 HB2 HIS 5 -24.643 21.716 -5.926 29 HD1 HIS 5 HD1 HIS 5 -21.491 20.377 -4.267 30 HD2 HIS 5 HD2 HIS 5 -25.613 19.812 -4.255 31 HE1 HIS 5 HE1 HIS 5 -21.898 18.387 -2.778 32 HE2 HIS 5 HE2 HIS 5 -24.425 18.046 -2.772 33 H HIS 6 H HIS 6 -20.796 19.971 -7.152 34 HA HIS 6 HA HIS 6 -22.260 18.479 -9.142 35 HB2 HIS 6 HB3 HIS 6 -19.515 18.214 -7.926 36 HB3 HIS 6 HB2 HIS 6 -20.161 16.996 -9.025 37 HD1 HIS 6 HD1 HIS 6 -17.846 18.016 -10.265 38 HD2 HIS 6 HD2 HIS 6 -21.344 20.266 -10.373 39 HE1 HIS 6 HE1 HIS 6 -17.557 19.629 -12.178 40 HE2 HIS 6 HE2 HIS 6 -19.703 21.003 -12.240 41 H HIS 7 H HIS 7 -23.624 16.884 -8.732 42 HA HIS 7 HA HIS 7 -23.686 15.677 -6.079 43 HB2 HIS 7 HB3 HIS 7 -25.534 15.644 -8.454 44 HB3 HIS 7 HB2 HIS 7 -25.735 14.485 -7.141 45 HD1 HIS 7 HD1 HIS 7 -27.292 15.228 -5.379 46 HD2 HIS 7 HD2 HIS 7 -25.510 18.445 -7.325 47 HE1 HIS 7 HE1 HIS 7 -28.322 17.290 -4.364 48 HE2 HIS 7 HE2 HIS 7 -27.229 19.257 -5.559 49 H HIS 8 H HIS 8 -23.554 14.540 -9.457 50 HA HIS 8 HA HIS 8 -21.739 12.416 -8.702 51 HB2 HIS 8 HB3 HIS 8 -24.589 11.876 -9.493 52 HB3 HIS 8 HB2 HIS 8 -23.322 10.712 -9.877 53 HD1 HIS 8 HD1 HIS 8 -25.807 11.067 -7.508 54 HD2 HIS 8 HD2 HIS 8 -21.714 10.401 -7.186 55 HE1 HIS 8 HE1 HIS 8 -25.464 10.049 -5.231 56 HE2 HIS 8 HE2 HIS 8 -22.955 9.642 -5.037 57 H HIS 9 H HIS 9 -20.463 11.787 -10.370 58 HA HIS 9 HA HIS 9 -21.241 12.521 -13.101 59 HB2 HIS 9 HB3 HIS 9 -18.801 13.495 -11.631 60 HB3 HIS 9 HB2 HIS 9 -18.793 13.335 -13.386 61 HD1 HIS 9 HD1 HIS 9 -20.389 14.924 -14.728 62 HD2 HIS 9 HD2 HIS 9 -20.189 15.677 -10.642 63 HE1 HIS 9 HE1 HIS 9 -21.409 17.206 -14.408 64 HE2 HIS 9 HE2 HIS 9 -21.286 17.662 -11.904 65 H HIS 10 H HIS 10 -20.025 11.426 -14.751 66 HA HIS 10 HA HIS 10 -19.562 8.710 -14.181 67 HB2 HIS 10 HB3 HIS 10 -18.909 10.449 -16.555 68 HB3 HIS 10 HB2 HIS 10 -18.468 8.742 -16.513 69 HD1 HIS 10 HD1 HIS 10 -21.576 10.914 -16.229 70 HD2 HIS 10 HD2 HIS 10 -20.444 7.065 -17.329 71 HE1 HIS 10 HE1 HIS 10 -23.658 9.831 -17.143 72 HE2 HIS 10 HE2 HIS 10 -22.960 7.474 -17.816 73 H GLY 11 H GLY 11 -17.375 11.461 -14.456 74 HA2 GLY 11 HA3 GLY 11 -14.928 10.144 -14.570 75 HA3 GLY 11 HA2 GLY 11 -15.182 11.710 -13.812 76 H SER 12 H SER 12 -13.416 9.482 -13.042 77 HA SER 12 HA SER 12 -14.543 8.915 -10.371 78 HB2 SER 12 HB3 SER 12 -14.057 6.947 -11.952 79 HB3 SER 12 HB2 SER 12 -12.351 7.307 -11.677 80 HG SER 12 HG SER 12 -12.602 6.847 -9.526 81 H MET 13 H MET 13 -13.611 9.973 -8.764 82 HA MET 13 HA MET 13 -10.994 11.205 -9.182 83 HB2 MET 13 HB3 MET 13 -11.484 12.585 -7.310 84 HB3 MET 13 HB2 MET 13 -12.965 12.485 -8.257 85 HG2 MET 13 HG3 MET 13 -13.520 10.514 -6.629 86 HG3 MET 13 HG2 MET 13 -12.329 11.308 -5.596 87 HE1 MET 13 HE1 MET 13 -13.021 12.745 -3.853 88 HE2 MET 13 HE2 MET 13 -12.618 14.060 -4.960 89 HE3 MET 13 HE3 MET 13 -14.111 14.124 -4.018 90 H SER 14 H SER 14 -12.528 8.676 -7.342 91 HA SER 14 HA SER 14 -10.574 8.339 -5.339 92 HB2 SER 14 HB3 SER 14 -11.561 6.155 -4.972 93 HB3 SER 14 HB2 SER 14 -12.851 7.314 -5.305 94 HG SER 14 HG SER 14 -12.779 5.145 -6.459 95 H GLU 15 H GLU 15 -8.506 7.839 -5.571 96 HA GLU 15 HA GLU 15 -7.611 6.487 -8.006 97 HB2 GLU 15 HB3 GLU 15 -6.535 8.583 -6.815 98 HB3 GLU 15 HB2 GLU 15 -5.746 7.354 -5.832 99 HG2 GLU 15 HG3 GLU 15 -4.663 6.411 -7.715 100 HG3 GLU 15 HG2 GLU 15 -5.646 7.354 -8.837 101 H TYR 16 H TYR 16 -6.465 4.560 -8.032 102 HA TYR 16 HA TYR 16 -7.024 2.798 -5.777 103 HB2 TYR 16 HB3 TYR 16 -6.241 1.005 -7.321 104 HB3 TYR 16 HB2 TYR 16 -7.576 1.945 -7.971 105 HD1 TYR 16 HD2 TYR 16 -3.917 1.415 -8.174 106 HD2 TYR 16 HD1 TYR 16 -7.347 3.169 -9.990 107 HE1 TYR 16 HE2 TYR 16 -2.605 1.877 -10.198 108 HE2 TYR 16 HE1 TYR 16 -6.039 3.634 -12.021 109 HH TYR 16 HH TYR 16 -2.600 3.246 -12.121 110 H ILE 17 H ILE 17 -5.224 1.076 -5.391 111 HA ILE 17 HA ILE 17 -2.654 2.506 -5.095 112 HB ILE 17 HB ILE 17 -3.568 2.295 -2.910 113 HG12 ILE 17 HG13 ILE 17 -1.606 0.041 -3.347 114 HG13 ILE 17 HG12 ILE 17 -1.180 1.716 -3.121 115 HG21 ILE 17 HG21 ILE 17 -3.861 -0.459 -2.452 116 HG22 ILE 17 HG22 ILE 17 -5.122 0.768 -2.493 117 HG23 ILE 17 HG23 ILE 17 -4.704 -0.114 -3.959 118 HD11 ILE 17 HD11 ILE 17 -2.396 -0.152 -1.119 119 HD12 ILE 17 HD12 ILE 17 -0.824 0.646 -1.055 120 HD13 ILE 17 HD13 ILE 17 -2.303 1.593 -0.878 121 H ARG 18 H ARG 18 -1.000 1.609 -6.115 122 HA ARG 18 HA ARG 18 -1.147 -1.271 -6.757 123 HB2 ARG 18 HB3 ARG 18 -0.610 1.054 -8.426 124 HB3 ARG 18 HB2 ARG 18 0.665 -0.145 -8.529 125 HG2 ARG 18 HG3 ARG 18 -1.566 -1.696 -8.737 126 HG3 ARG 18 HG2 ARG 18 -2.068 -0.213 -9.552 127 HD2 ARG 18 HD3 ARG 18 0.560 -0.786 -10.417 128 HD3 ARG 18 HD2 ARG 18 -0.346 -2.299 -10.487 129 HE ARG 18 HE ARG 18 -1.792 -0.117 -11.637 130 HH11 ARG 18 HH11 ARG 18 0.724 -2.454 -12.234 131 HH12 ARG 18 HH12 ARG 18 0.505 -2.445 -13.954 132 HH21 ARG 18 HH21 ARG 18 -2.088 -0.098 -13.899 133 HH22 ARG 18 HH22 ARG 18 -1.094 -1.103 -14.899 134 H VAL 19 H VAL 19 0.113 -2.261 -5.303 135 HA VAL 19 HA VAL 19 2.931 -1.504 -5.199 136 HB VAL 19 HB VAL 19 2.910 -1.848 -2.687 137 HG11 VAL 19 HG11 VAL 19 2.678 0.409 -4.214 138 HG12 VAL 19 HG12 VAL 19 1.359 0.601 -3.060 139 HG13 VAL 19 HG13 VAL 19 3.013 0.380 -2.481 140 HG21 VAL 19 HG21 VAL 19 -0.030 -1.263 -3.029 141 HG22 VAL 19 HG22 VAL 19 0.642 -2.833 -2.585 142 HG23 VAL 19 HG23 VAL 19 0.837 -1.452 -1.504 143 H THR 20 H THR 20 4.309 -3.176 -4.344 144 HA THR 20 HA THR 20 3.065 -5.834 -4.132 145 HB THR 20 HB THR 20 3.701 -6.016 -6.352 146 HG1 THR 20 HG1 THR 20 4.793 -7.734 -5.715 147 HG21 THR 20 HG21 THR 20 5.713 -3.998 -5.618 148 HG22 THR 20 HG22 THR 20 4.801 -4.199 -7.113 149 HG23 THR 20 HG23 THR 20 6.244 -5.173 -6.822 150 H GLU 21 H GLU 21 4.197 -7.326 -2.889 151 HA GLU 21 HA GLU 21 5.922 -6.195 -0.901 152 HB2 GLU 21 HB3 GLU 21 4.206 -8.293 -0.915 153 HB3 GLU 21 HB2 GLU 21 5.721 -9.135 -1.107 154 HG2 GLU 21 HG3 GLU 21 5.948 -7.152 0.952 155 HG3 GLU 21 HG2 GLU 21 4.574 -8.197 1.260 156 H ASP 22 H ASP 22 6.363 -8.649 -3.443 157 HA ASP 22 HA ASP 22 9.271 -8.427 -3.079 158 HB2 ASP 22 HB3 ASP 22 7.486 -10.537 -4.250 159 HB3 ASP 22 HB2 ASP 22 9.188 -10.466 -4.711 160 H GLU 23 H GLU 23 10.601 -7.692 -4.660 161 HA GLU 23 HA GLU 23 9.478 -6.085 -6.723 162 HB2 GLU 23 HB3 GLU 23 11.814 -5.714 -7.412 163 HB3 GLU 23 HB2 GLU 23 11.595 -5.491 -5.680 164 HG2 GLU 23 HG3 GLU 23 12.368 -7.943 -5.490 165 HG3 GLU 23 HG2 GLU 23 12.964 -7.718 -7.135 166 H ASN 24 H ASN 24 10.589 -9.367 -6.554 167 HA ASN 24 HA ASN 24 11.043 -9.796 -9.320 168 HB2 ASN 24 HB3 ASN 24 11.819 -11.290 -7.449 169 HB3 ASN 24 HB2 ASN 24 10.155 -11.853 -7.285 170 HD21 ASN 24 HD21 ASN 24 10.416 -13.927 -7.894 171 HD22 ASN 24 HD22 ASN 24 10.943 -14.421 -9.473 172 H ASP 25 H ASP 25 8.174 -9.652 -7.378 173 HA ASP 25 HA ASP 25 6.529 -10.866 -9.465 174 HB2 ASP 25 HB3 ASP 25 5.814 -9.762 -6.738 175 HB3 ASP 25 HB2 ASP 25 4.667 -10.513 -7.848 176 H GLU 26 H GLU 26 4.231 -9.527 -9.469 177 HA GLU 26 HA GLU 26 5.000 -6.902 -10.559 178 HB2 GLU 26 HB3 GLU 26 3.262 -7.073 -12.085 179 HB3 GLU 26 HB2 GLU 26 3.781 -8.746 -11.937 180 HG2 GLU 26 HG3 GLU 26 1.416 -7.477 -10.569 181 HG3 GLU 26 HG2 GLU 26 1.371 -8.604 -11.925 182 HA PRO 27 HA PRO 27 2.784 -4.692 -7.482 183 HB2 PRO 27 HB3 PRO 27 1.850 -2.586 -8.903 184 HB3 PRO 27 HB2 PRO 27 3.547 -2.768 -8.479 185 HG2 PRO 27 HG3 PRO 27 2.166 -3.405 -11.061 186 HG3 PRO 27 HG2 PRO 27 3.731 -2.609 -10.795 187 HD2 PRO 27 HD3 PRO 27 3.521 -5.221 -11.479 188 HD3 PRO 27 HD2 PRO 27 4.829 -4.606 -10.445 189 H ILE 28 H ILE 28 0.997 -5.654 -6.696 190 HA ILE 28 HA ILE 28 -1.277 -6.303 -8.302 191 HB ILE 28 HB ILE 28 -0.816 -7.673 -6.387 192 HG12 ILE 28 HG13 ILE 28 -3.275 -6.815 -7.030 193 HG13 ILE 28 HG12 ILE 28 -2.984 -7.958 -5.720 194 HG21 ILE 28 HG21 ILE 28 0.345 -6.289 -4.900 195 HG22 ILE 28 HG22 ILE 28 -0.947 -5.087 -4.867 196 HG23 ILE 28 HG23 ILE 28 -1.167 -6.643 -4.065 197 HD11 ILE 28 HD11 ILE 28 -4.532 -5.961 -5.300 198 HD12 ILE 28 HD12 ILE 28 -3.315 -6.352 -4.082 199 HD13 ILE 28 HD13 ILE 28 -3.049 -5.016 -5.198 200 H GLU 29 H GLU 29 -3.293 -5.352 -8.386 201 HA GLU 29 HA GLU 29 -3.404 -2.579 -7.386 202 HB2 GLU 29 HB3 GLU 29 -5.054 -2.174 -9.175 203 HB3 GLU 29 HB2 GLU 29 -3.504 -2.716 -9.808 204 HG2 GLU 29 HG3 GLU 29 -4.657 -4.194 -10.995 205 HG3 GLU 29 HG2 GLU 29 -4.884 -5.072 -9.482 206 H ILE 30 H ILE 30 -4.752 -2.164 -5.779 207 HA ILE 30 HA ILE 30 -7.141 -3.872 -5.467 208 HB ILE 30 HB ILE 30 -6.709 -3.124 -2.916 209 HG12 ILE 30 HG13 ILE 30 -3.925 -3.795 -3.806 210 HG13 ILE 30 HG12 ILE 30 -4.466 -2.136 -3.836 211 HG21 ILE 30 HG21 ILE 30 -6.950 -5.333 -2.851 212 HG22 ILE 30 HG22 ILE 30 -6.354 -5.502 -4.502 213 HG23 ILE 30 HG23 ILE 30 -5.217 -5.472 -3.151 214 HD11 ILE 30 HD11 ILE 30 -5.005 -2.293 -1.438 215 HD12 ILE 30 HD12 ILE 30 -4.351 -3.933 -1.434 216 HD13 ILE 30 HD13 ILE 30 -3.296 -2.562 -1.791 217 HA PRO 31 HA PRO 31 -9.555 -0.220 -5.172 218 HB2 PRO 31 HB3 PRO 31 -11.390 -0.893 -3.282 219 HB3 PRO 31 HB2 PRO 31 -11.395 -1.577 -4.915 220 HG2 PRO 31 HG3 PRO 31 -10.337 -2.750 -2.370 221 HG3 PRO 31 HG2 PRO 31 -11.279 -3.529 -3.654 222 HD2 PRO 31 HD3 PRO 31 -8.595 -3.812 -3.440 223 HD3 PRO 31 HD2 PRO 31 -9.435 -3.818 -5.007 224 H SER 32 H SER 32 -9.785 1.681 -4.036 225 HA SER 32 HA SER 32 -8.858 1.752 -1.250 226 HB2 SER 32 HB3 SER 32 -7.897 3.874 -3.138 227 HB3 SER 32 HB2 SER 32 -7.206 3.350 -1.603 228 HG SER 32 HG SER 32 -7.264 1.740 -3.937 229 H GLU 33 H GLU 33 -9.337 3.859 -0.197 230 HA GLU 33 HA GLU 33 -12.046 4.577 -0.645 231 HB2 GLU 33 HB3 GLU 33 -10.402 4.751 1.482 232 HB3 GLU 33 HB2 GLU 33 -10.315 6.416 0.918 233 HG2 GLU 33 HG3 GLU 33 -12.035 6.125 2.619 234 HG3 GLU 33 HG2 GLU 33 -12.726 6.625 1.074 235 H ASP 34 H ASP 34 -12.785 6.859 -0.927 236 HA ASP 34 HA ASP 34 -11.730 7.901 -3.369 237 HB2 ASP 34 HB3 ASP 34 -13.473 9.598 -3.172 238 HB3 ASP 34 HB2 ASP 34 -14.130 8.003 -2.804 239 H ASP 35 H ASP 35 -11.288 8.633 0.001 240 HA ASP 35 HA ASP 35 -10.236 11.254 -0.312 241 HB2 ASP 35 HB3 ASP 35 -9.570 9.331 1.920 242 HB3 ASP 35 HB2 ASP 35 -9.569 11.094 1.976 243 H GLY 36 H GLY 36 -8.958 8.135 -0.915 244 HA2 GLY 36 HA3 GLY 36 -6.939 8.089 -2.298 245 HA3 GLY 36 HA2 GLY 36 -6.275 9.332 -1.263 246 H THR 37 H THR 37 -7.674 7.666 0.991 247 HA THR 37 HA THR 37 -5.274 6.177 1.646 248 HB THR 37 HB THR 37 -6.201 5.858 3.808 249 HG1 THR 37 HG1 THR 37 -8.710 6.875 2.965 250 HG21 THR 37 HG21 THR 37 -5.969 8.003 4.382 251 HG22 THR 37 HG22 THR 37 -7.494 8.433 3.597 252 HG23 THR 37 HG23 THR 37 -5.998 8.399 2.662 253 H VAL 38 H VAL 38 -5.919 3.984 2.924 254 HA VAL 38 HA VAL 38 -7.706 2.398 1.212 255 HB VAL 38 HB VAL 38 -4.834 1.711 1.845 256 HG11 VAL 38 HG11 VAL 38 -7.088 -0.018 0.862 257 HG12 VAL 38 HG12 VAL 38 -5.396 -0.404 0.530 258 HG13 VAL 38 HG13 VAL 38 -5.969 -0.312 2.197 259 HG21 VAL 38 HG21 VAL 38 -4.425 1.837 -0.435 260 HG22 VAL 38 HG22 VAL 38 -6.133 1.678 -0.854 261 HG23 VAL 38 HG23 VAL 38 -5.529 3.185 -0.166 262 H LEU 39 H LEU 39 -9.046 1.191 2.377 263 HA LEU 39 HA LEU 39 -8.975 1.142 5.195 264 HB2 LEU 39 HB3 LEU 39 -10.872 0.661 3.366 265 HB3 LEU 39 HB2 LEU 39 -10.440 -1.001 3.770 266 HG LEU 39 HG LEU 39 -10.831 -0.243 6.222 267 HD11 LEU 39 HD11 LEU 39 -12.670 1.730 4.912 268 HD12 LEU 39 HD12 LEU 39 -11.041 2.191 5.408 269 HD13 LEU 39 HD13 LEU 39 -12.194 1.602 6.608 270 HD21 LEU 39 HD21 LEU 39 -12.691 -1.460 6.050 271 HD22 LEU 39 HD22 LEU 39 -12.387 -1.503 4.311 272 HD23 LEU 39 HD23 LEU 39 -13.461 -0.277 4.989 273 H LEU 40 H LEU 40 -8.479 -0.483 6.663 274 HA LEU 40 HA LEU 40 -6.233 -2.069 6.083 275 HB2 LEU 40 HB3 LEU 40 -6.941 -1.247 8.335 276 HB3 LEU 40 HB2 LEU 40 -8.205 -2.473 8.329 277 HG LEU 40 HG LEU 40 -6.562 -4.240 8.367 278 HD11 LEU 40 HD11 LEU 40 -4.612 -1.991 7.984 279 HD12 LEU 40 HD12 LEU 40 -4.786 -3.482 7.056 280 HD13 LEU 40 HD13 LEU 40 -4.120 -3.534 8.688 281 HD21 LEU 40 HD21 LEU 40 -7.226 -2.878 10.473 282 HD22 LEU 40 HD22 LEU 40 -5.563 -2.287 10.406 283 HD23 LEU 40 HD23 LEU 40 -5.881 -4.017 10.568 284 H SER 41 H SER 41 -9.641 -2.702 5.826 285 HA SER 41 HA SER 41 -9.562 -5.525 5.808 286 HB2 SER 41 HB3 SER 41 -11.512 -3.682 4.399 287 HB3 SER 41 HB2 SER 41 -11.770 -5.394 4.745 288 HG SER 41 HG SER 41 -11.285 -3.429 6.738 289 H THR 42 H THR 42 -8.858 -3.126 3.383 290 HA THR 42 HA THR 42 -8.837 -5.060 1.215 291 HB THR 42 HB THR 42 -7.853 -2.202 1.144 292 HG1 THR 42 HG1 THR 42 -10.145 -2.564 1.811 293 HG21 THR 42 HG21 THR 42 -8.664 -2.562 -1.300 294 HG22 THR 42 HG22 THR 42 -8.510 -4.277 -0.918 295 HG23 THR 42 HG23 THR 42 -7.104 -3.214 -0.807 296 H VAL 43 H VAL 43 -6.621 -3.687 3.483 297 HA VAL 43 HA VAL 43 -4.221 -4.188 1.994 298 HB VAL 43 HB VAL 43 -4.744 -3.646 4.917 299 HG11 VAL 43 HG11 VAL 43 -2.147 -3.298 4.869 300 HG12 VAL 43 HG12 VAL 43 -2.829 -4.904 5.142 301 HG13 VAL 43 HG13 VAL 43 -2.220 -4.463 3.546 302 HG21 VAL 43 HG21 VAL 43 -4.964 -1.627 3.864 303 HG22 VAL 43 HG22 VAL 43 -3.221 -1.627 4.140 304 HG23 VAL 43 HG23 VAL 43 -3.864 -2.060 2.555 305 H THR 44 H THR 44 -5.825 -5.871 4.693 306 HA THR 44 HA THR 44 -3.973 -8.022 4.778 307 HB THR 44 HB THR 44 -5.522 -9.130 6.247 308 HG1 THR 44 HG1 THR 44 -7.499 -8.946 5.335 309 HG21 THR 44 HG21 THR 44 -4.684 -6.448 6.621 310 HG22 THR 44 HG22 THR 44 -5.025 -7.667 7.852 311 HG23 THR 44 HG23 THR 44 -6.309 -6.591 7.296 312 H ALA 45 H ALA 45 -6.433 -7.243 2.582 313 HA ALA 45 HA ALA 45 -7.372 -9.804 1.854 314 HB1 ALA 45 HB1 ALA 45 -7.105 -7.403 0.036 315 HB2 ALA 45 HB2 ALA 45 -7.113 -7.382 0.074 316 HB3 ALA 45 HB3 ALA 45 -8.433 -7.653 1.205 317 H GLN 46 H GLN 46 -4.722 -7.815 0.553 318 HA GLN 46 HA GLN 46 -3.736 -10.212 -0.862 319 HB2 GLN 46 HB3 GLN 46 -3.642 -7.294 -1.533 320 HB3 GLN 46 HB2 GLN 46 -2.387 -8.358 -2.138 321 HG2 GLN 46 HG3 GLN 46 -4.458 -7.883 -3.598 322 HG3 GLN 46 HG2 GLN 46 -3.843 -9.535 -3.486 323 HE21 GLN 46 HE21 GLN 46 -5.185 -11.092 -2.854 324 HE22 GLN 46 HE22 GLN 46 -6.778 -10.842 -2.213 325 H PHE 47 H PHE 47 -3.194 -8.229 1.765 326 HA PHE 47 HA PHE 47 -0.437 -9.223 1.999 327 HB2 PHE 47 HB3 PHE 47 -1.056 -6.445 2.928 328 HB3 PHE 47 HB2 PHE 47 0.483 -7.155 2.520 329 HD1 PHE 47 HD2 PHE 47 0.687 -7.916 -0.024 330 HD2 PHE 47 HD1 PHE 47 -1.977 -4.939 1.457 331 HE1 PHE 47 HE2 PHE 47 0.553 -6.926 -2.266 332 HE2 PHE 47 HE1 PHE 47 -2.119 -3.946 -0.788 333 HZ PHE 47 HZ PHE 47 -0.860 -4.933 -2.656 334 HA PRO 48 HA PRO 48 -2.981 -10.041 5.787 335 HB2 PRO 48 HB3 PRO 48 -2.128 -12.602 6.079 336 HB3 PRO 48 HB2 PRO 48 -3.494 -12.155 5.054 337 HG2 PRO 48 HG3 PRO 48 -0.655 -12.724 4.287 338 HG3 PRO 48 HG2 PRO 48 -2.154 -13.241 3.495 339 HD2 PRO 48 HD3 PRO 48 -0.676 -11.166 2.588 340 HD3 PRO 48 HD2 PRO 48 -2.444 -11.217 2.426 341 H GLY 49 H GLY 49 -2.159 -9.381 7.666 342 HA2 GLY 49 HA3 GLY 49 -0.709 -9.496 9.509 343 HA3 GLY 49 HA2 GLY 49 0.456 -10.359 8.530 344 H ALA 50 H ALA 50 -0.113 -8.115 6.451 345 HA ALA 50 HA ALA 50 2.182 -6.565 7.084 346 HB1 ALA 50 HB1 ALA 50 1.106 -7.120 4.775 347 HB2 ALA 50 HB2 ALA 50 1.148 -7.112 4.781 348 HB3 ALA 50 HB3 ALA 50 1.891 -5.536 5.030 349 H CYS 51 H CYS 51 2.030 -5.416 8.952 350 HA CYS 51 HA CYS 51 -0.309 -3.791 9.505 351 HB2 CYS 51 HB3 CYS 51 1.338 -5.064 11.163 352 HB3 CYS 51 HB2 CYS 51 2.197 -3.534 11.100 353 HG CYS 51 HG CYS 51 -1.132 -3.502 11.770 354 H GLY 52 H GLY 52 3.171 -3.188 8.975 355 HA2 GLY 52 HA3 GLY 52 2.460 -0.421 8.232 356 HA3 GLY 52 HA2 GLY 52 3.973 -0.861 8.963 357 H LEU 53 H LEU 53 2.854 0.257 6.227 358 HA LEU 53 HA LEU 53 4.587 -1.431 4.534 359 HB2 LEU 53 HB3 LEU 53 2.391 0.373 3.551 360 HB3 LEU 53 HB2 LEU 53 3.248 -0.876 2.657 361 HG LEU 53 HG LEU 53 1.201 -1.865 3.036 362 HD11 LEU 53 HD11 LEU 53 2.283 -2.835 5.609 363 HD12 LEU 53 HD12 LEU 53 3.331 -2.998 4.201 364 HD13 LEU 53 HD13 LEU 53 1.728 -3.730 4.194 365 HD21 LEU 53 HD21 LEU 53 0.605 0.060 4.685 366 HD22 LEU 53 HD22 LEU 53 1.077 -1.102 5.926 367 HD23 LEU 53 HD23 LEU 53 -0.232 -1.491 4.808 368 H ARG 54 H ARG 54 6.261 -0.516 3.499 369 HA ARG 54 HA ARG 54 6.620 2.391 3.842 370 HB2 ARG 54 HB3 ARG 54 8.330 0.203 4.382 371 HB3 ARG 54 HB2 ARG 54 9.029 1.059 3.019 372 HG2 ARG 54 HG3 ARG 54 9.199 3.072 4.252 373 HG3 ARG 54 HG2 ARG 54 8.181 2.443 5.551 374 HD2 ARG 54 HD3 ARG 54 10.372 0.664 5.193 375 HD3 ARG 54 HD2 ARG 54 11.008 2.310 5.283 376 HE ARG 54 HE ARG 54 9.255 2.181 7.360 377 HH11 ARG 54 HH11 ARG 54 11.966 0.236 6.345 378 HH12 ARG 54 HH12 ARG 54 12.391 -0.245 7.956 379 HH21 ARG 54 HH21 ARG 54 9.806 1.554 9.481 380 HH22 ARG 54 HH22 ARG 54 11.162 0.505 9.740 381 H TYR 55 H TYR 55 7.998 3.418 2.099 382 HA TYR 55 HA TYR 55 6.996 2.511 -0.518 383 HB2 TYR 55 HB3 TYR 55 7.695 5.193 0.606 384 HB3 TYR 55 HB2 TYR 55 7.772 4.944 -1.127 385 HD1 TYR 55 HD1 TYR 55 5.502 3.295 -1.746 386 HD2 TYR 55 HD2 TYR 55 5.807 6.435 1.103 387 HE1 TYR 55 HE1 TYR 55 3.079 3.673 -1.913 388 HE2 TYR 55 HE2 TYR 55 3.386 6.823 0.947 389 HH TYR 55 HH TYR 55 1.345 5.480 0.298 390 H ARG 56 H ARG 56 8.361 1.724 -1.971 391 HA ARG 56 HA ARG 56 11.223 2.388 -1.731 392 HB2 ARG 56 HB3 ARG 56 11.079 0.184 -0.862 393 HB3 ARG 56 HB2 ARG 56 9.962 -0.320 -2.120 394 HG2 ARG 56 HG3 ARG 56 12.173 -1.253 -2.486 395 HG3 ARG 56 HG2 ARG 56 11.734 -0.143 -3.787 396 HD2 ARG 56 HD3 ARG 56 13.049 1.627 -2.678 397 HD3 ARG 56 HD2 ARG 56 13.534 0.462 -1.441 398 HE ARG 56 HE ARG 56 14.152 -0.453 -4.077 399 HH11 ARG 56 HH11 ARG 56 15.214 1.674 -1.523 400 HH12 ARG 56 HH12 ARG 56 16.881 1.627 -2.000 401 HH21 ARG 56 HH21 ARG 56 16.344 -0.524 -4.707 402 HH22 ARG 56 HH22 ARG 56 17.522 0.378 -3.810 403 H ASN 57 H ASN 57 11.665 3.589 -3.462 404 HA ASN 57 HA ASN 57 10.819 2.573 -6.094 405 HB2 ASN 57 HB3 ASN 57 9.884 4.939 -4.896 406 HB3 ASN 57 HB2 ASN 57 11.028 5.445 -6.117 407 HD21 ASN 57 HD21 ASN 57 10.673 3.461 -8.003 408 HD22 ASN 57 HD22 ASN 57 9.078 3.596 -8.672 409 HA PRO 58 HA PRO 58 15.280 2.926 -6.484 410 HB2 PRO 58 HB3 PRO 58 15.411 1.558 -8.829 411 HB3 PRO 58 HB2 PRO 58 15.256 0.765 -7.264 412 HG2 PRO 58 HG3 PRO 58 13.146 1.373 -9.291 413 HG3 PRO 58 HG2 PRO 58 13.390 -0.107 -8.341 414 HD2 PRO 58 HD3 PRO 58 11.542 1.755 -7.678 415 HD3 PRO 58 HD2 PRO 58 12.384 0.789 -6.466 416 H VAL 59 H VAL 59 12.778 3.902 -8.700 417 HA VAL 59 HA VAL 59 14.609 5.345 -10.429 418 HB VAL 59 HB VAL 59 12.524 6.118 -11.575 419 HG11 VAL 59 HG11 VAL 59 12.059 4.020 -12.627 420 HG12 VAL 59 HG12 VAL 59 13.774 4.045 -12.200 421 HG13 VAL 59 HG13 VAL 59 12.633 3.123 -11.215 422 HG21 VAL 59 HG21 VAL 59 10.455 5.743 -10.778 423 HG22 VAL 59 HG22 VAL 59 10.861 4.123 -10.198 424 HG23 VAL 59 HG23 VAL 59 11.273 5.538 -9.228 425 H SER 60 H SER 60 12.806 5.926 -7.583 426 HA SER 60 HA SER 60 12.744 8.817 -7.970 427 HB2 SER 60 HB3 SER 60 11.849 7.198 -5.577 428 HB3 SER 60 HB2 SER 60 11.494 8.899 -5.890 429 HG SER 60 HG SER 60 10.777 7.052 -7.856 430 H GLN 61 H GLN 61 14.589 6.377 -6.336 431 HA GLN 61 HA GLN 61 16.504 6.454 -5.106 432 HB2 GLN 61 HB3 GLN 61 16.699 9.289 -6.147 433 HB3 GLN 61 HB2 GLN 61 18.008 8.359 -5.429 434 HG2 GLN 61 HG3 GLN 61 16.591 7.289 -7.826 435 HG3 GLN 61 HG2 GLN 61 17.787 8.571 -8.018 436 HE21 GLN 61 HE21 GLN 61 19.862 8.031 -8.109 437 HE22 GLN 61 HE22 GLN 61 20.509 6.459 -7.748 438 H CYS 62 H CYS 62 13.861 7.471 -4.051 439 HA CYS 62 HA CYS 62 14.902 9.095 -1.816 440 HB2 CYS 62 HB3 CYS 62 12.784 9.662 -3.462 441 HB3 CYS 62 HB2 CYS 62 11.980 8.884 -2.102 442 HG CYS 62 HG CYS 62 11.886 11.688 -1.819 443 H MET 63 H MET 63 13.177 8.752 0.140 444 HA MET 63 HA MET 63 12.663 5.898 0.513 445 HB2 MET 63 HB3 MET 63 14.676 7.504 2.031 446 HB3 MET 63 HB2 MET 63 13.748 6.286 2.898 447 HG2 MET 63 HG3 MET 63 15.441 4.953 2.280 448 HG3 MET 63 HG2 MET 63 14.518 4.833 0.781 449 HE1 MET 63 HE1 MET 63 17.390 4.009 0.186 450 HE2 MET 63 HE2 MET 63 18.647 5.229 0.410 451 HE3 MET 63 HE3 MET 63 17.737 4.631 1.802 452 H ARG 64 H ARG 64 10.481 6.275 0.637 453 HA ARG 64 HA ARG 64 9.579 7.991 2.864 454 HB2 ARG 64 HB3 ARG 64 8.902 8.289 0.256 455 HB3 ARG 64 HB2 ARG 64 7.626 7.207 0.790 456 HG2 ARG 64 HG3 ARG 64 7.795 9.173 2.766 457 HG3 ARG 64 HG2 ARG 64 7.933 10.028 1.228 458 HD2 ARG 64 HD3 ARG 64 5.900 8.775 0.453 459 HD3 ARG 64 HD2 ARG 64 5.729 8.165 2.099 460 HE ARG 64 HE ARG 64 5.028 10.768 1.149 461 HH11 ARG 64 HH11 ARG 64 6.125 8.985 3.938 462 HH12 ARG 64 HH12 ARG 64 5.470 10.113 5.079 463 HH21 ARG 64 HH21 ARG 64 4.163 12.258 2.643 464 HH22 ARG 64 HH22 ARG 64 4.353 11.974 4.342 465 H GLY 65 H GLY 65 7.081 7.204 3.303 466 HA2 GLY 65 HA3 GLY 65 6.867 4.318 3.407 467 HA3 GLY 65 HA2 GLY 65 7.162 5.071 4.968 468 H VAL 66 H VAL 66 4.800 3.685 3.461 469 HA VAL 66 HA VAL 66 2.704 5.552 3.252 470 HB VAL 66 HB VAL 66 2.460 2.629 3.991 471 HG11 VAL 66 HG11 VAL 66 0.240 2.765 3.083 472 HG12 VAL 66 HG12 VAL 66 0.428 4.022 4.308 473 HG13 VAL 66 HG13 VAL 66 0.497 4.444 2.597 474 HG21 VAL 66 HG21 VAL 66 3.149 2.098 1.945 475 HG22 VAL 66 HG22 VAL 66 1.923 3.152 1.240 476 HG23 VAL 66 HG23 VAL 66 3.513 3.799 1.640 477 H ARG 67 H ARG 67 1.317 6.423 4.691 478 HA ARG 67 HA ARG 67 1.973 6.201 7.498 479 HB2 ARG 67 HB3 ARG 67 1.450 8.392 6.658 480 HB3 ARG 67 HB2 ARG 67 -0.079 7.829 5.994 481 HG2 ARG 67 HG3 ARG 67 -0.507 9.084 7.988 482 HG3 ARG 67 HG2 ARG 67 -0.870 7.384 8.297 483 HD2 ARG 67 HD3 ARG 67 1.644 7.358 9.111 484 HD3 ARG 67 HD2 ARG 67 1.347 9.083 9.334 485 HE ARG 67 HE ARG 67 -0.687 7.418 10.499 486 HH11 ARG 67 HH11 ARG 67 2.452 8.856 10.986 487 HH12 ARG 67 HH12 ARG 67 2.336 8.837 12.716 488 HH21 ARG 67 HH21 ARG 67 -0.847 7.389 12.774 489 HH22 ARG 67 HH22 ARG 67 0.460 8.002 13.732 490 H LEU 68 H LEU 68 0.793 5.257 9.094 491 HA LEU 68 HA LEU 68 -1.616 3.771 8.256 492 HB2 LEU 68 HB3 LEU 68 0.245 2.260 8.664 493 HB3 LEU 68 HB2 LEU 68 0.502 2.976 10.254 494 HG LEU 68 HG LEU 68 -0.698 0.689 10.055 495 HD11 LEU 68 HD11 LEU 68 -1.302 1.041 12.178 496 HD12 LEU 68 HD12 LEU 68 -2.389 2.362 11.748 497 HD13 LEU 68 HD13 LEU 68 -0.663 2.670 11.954 498 HD21 LEU 68 HD21 LEU 68 -3.198 2.285 9.853 499 HD22 LEU 68 HD22 LEU 68 -2.886 0.604 9.419 500 HD23 LEU 68 HD23 LEU 68 -2.342 1.906 8.362 501 H VAL 69 H VAL 69 -3.418 4.362 9.247 502 HA VAL 69 HA VAL 69 -3.330 5.201 12.049 503 HB VAL 69 HB VAL 69 -3.132 7.315 10.896 504 HG11 VAL 69 HG11 VAL 69 -4.086 6.457 8.730 505 HG12 VAL 69 HG12 VAL 69 -5.690 6.686 9.432 506 HG13 VAL 69 HG13 VAL 69 -4.621 8.070 9.205 507 HG21 VAL 69 HG21 VAL 69 -4.907 6.809 12.818 508 HG22 VAL 69 HG22 VAL 69 -4.724 8.411 12.100 509 HG23 VAL 69 HG23 VAL 69 -6.025 7.348 11.561 510 H GLU 70 H GLU 70 -4.850 4.125 13.105 511 HA GLU 70 HA GLU 70 -6.740 2.943 13.578 512 HB2 GLU 70 HB3 GLU 70 -7.986 4.610 11.382 513 HB3 GLU 70 HB2 GLU 70 -8.839 3.761 12.663 514 HG2 GLU 70 HG3 GLU 70 -7.141 6.218 12.847 515 HG3 GLU 70 HG2 GLU 70 -8.815 5.986 13.347 516 H GLY 71 H GLY 71 -4.891 2.108 11.345 517 HA2 GLY 71 HA3 GLY 71 -4.869 0.001 10.284 518 HA3 GLY 71 HA2 GLY 71 -6.628 -0.023 10.338 519 H ILE 72 H ILE 72 -6.676 2.783 9.252 520 HA ILE 72 HA ILE 72 -6.695 2.011 6.464 521 HB ILE 72 HB ILE 72 -7.330 4.683 7.727 522 HG12 ILE 72 HG13 ILE 72 -9.579 3.218 6.649 523 HG13 ILE 72 HG12 ILE 72 -8.743 2.249 7.849 524 HG21 ILE 72 HG21 ILE 72 -7.155 5.372 5.597 525 HG22 ILE 72 HG22 ILE 72 -7.233 3.731 4.954 526 HG23 ILE 72 HG23 ILE 72 -8.718 4.575 5.391 527 HD11 ILE 72 HD11 ILE 72 -9.286 5.063 8.568 528 HD12 ILE 72 HD12 ILE 72 -10.672 3.972 8.466 529 HD13 ILE 72 HD13 ILE 72 -9.334 3.601 9.556 530 H LEU 73 H LEU 73 -4.892 2.048 5.305 531 HA LEU 73 HA LEU 73 -2.612 3.617 6.040 532 HB2 LEU 73 HB3 LEU 73 -3.287 1.831 3.729 533 HB3 LEU 73 HB2 LEU 73 -1.827 2.796 3.712 534 HG LEU 73 HG LEU 73 -1.313 0.551 4.421 535 HD11 LEU 73 HD11 LEU 73 -1.221 2.404 6.794 536 HD12 LEU 73 HD12 LEU 73 -0.085 2.434 5.449 537 HD13 LEU 73 HD13 LEU 73 -0.173 1.017 6.496 538 HD21 LEU 73 HD21 LEU 73 -3.203 0.977 6.728 539 HD22 LEU 73 HD22 LEU 73 -2.284 -0.479 6.351 540 HD23 LEU 73 HD23 LEU 73 -3.593 0.040 5.287 541 H HIS 74 H HIS 74 -2.291 5.684 5.608 542 HA HIS 74 HA HIS 74 -3.917 6.997 3.564 543 HB2 HIS 74 HB3 HIS 74 -3.818 8.085 5.730 544 HB3 HIS 74 HB2 HIS 74 -2.067 8.107 5.676 545 HD1 HIS 74 HD1 HIS 74 -4.202 9.099 2.741 546 HD2 HIS 74 HD2 HIS 74 -1.818 10.863 5.660 547 HE1 HIS 74 HE1 HIS 74 -3.960 11.509 2.052 548 HE2 HIS 74 HE2 HIS 74 -2.500 12.586 3.842 549 H ALA 75 H ALA 75 -3.149 7.826 1.698 550 HA ALA 75 HA ALA 75 -0.437 7.102 0.933 551 HB1 ALA 75 HB1 ALA 75 -2.948 7.623 -0.447 552 HB2 ALA 75 HB2 ALA 75 -2.939 7.579 -0.439 553 HB3 ALA 75 HB3 ALA 75 -1.520 6.679 -0.962 554 HA PRO 76 HA PRO 76 1.415 11.067 1.263 555 HB2 PRO 76 HB3 PRO 76 2.979 11.158 -0.961 556 HB3 PRO 76 HB2 PRO 76 3.340 10.126 0.430 557 HG2 PRO 76 HG3 PRO 76 2.036 9.417 -2.159 558 HG3 PRO 76 HG2 PRO 76 3.261 8.529 -1.258 559 HD2 PRO 76 HD3 PRO 76 0.638 7.863 -1.175 560 HD3 PRO 76 HD2 PRO 76 1.719 7.638 0.210 561 H ASP 77 H ASP 77 2.099 12.991 -0.367 562 HA ASP 77 HA ASP 77 -0.417 14.025 -1.328 563 HB2 ASP 77 HB3 ASP 77 2.365 15.121 -1.048 564 HB3 ASP 77 HB2 ASP 77 1.177 15.983 -2.026 565 H ALA 78 H ALA 78 1.753 11.970 -2.669 566 HA ALA 78 HA ALA 78 1.382 13.028 -5.394 567 HB1 ALA 78 HB1 ALA 78 3.536 12.563 -5.685 568 HB2 ALA 78 HB2 ALA 78 3.519 12.534 -5.713 569 HB3 ALA 78 HB3 ALA 78 3.164 10.834 -5.416 570 H GLY 79 H GLY 79 0.729 10.343 -3.267 571 HA2 GLY 79 HA3 GLY 79 -1.340 9.115 -3.849 572 HA3 GLY 79 HA2 GLY 79 -0.712 9.021 -5.477 573 H TRP 80 H TRP 80 -1.221 6.685 -5.017 574 HA TRP 80 HA TRP 80 0.628 5.298 -3.276 575 HB2 TRP 80 HB3 TRP 80 -1.428 4.273 -5.251 576 HB3 TRP 80 HB2 TRP 80 -0.470 3.251 -4.196 577 HD1 TRP 80 HD1 TRP 80 -3.663 5.121 -4.305 578 HE1 TRP 80 HE1 TRP 80 -4.786 5.139 -1.985 579 HE3 TRP 80 HE3 TRP 80 0.262 3.423 -1.508 580 HZ2 TRP 80 HZ2 TRP 80 -4.086 4.507 0.677 581 HZ3 TRP 80 HZ3 TRP 80 -0.048 3.158 0.916 582 HH2 TRP 80 HH2 TRP 80 -2.177 3.689 1.984 583 H GLY 81 H GLY 81 -0.034 5.150 -6.790 584 HA2 GLY 81 HA3 GLY 81 1.556 5.137 -8.512 585 HA3 GLY 81 HA2 GLY 81 2.831 4.986 -7.309 586 H ASN 82 H ASN 82 3.735 3.375 -8.748 587 HA ASN 82 HA ASN 82 2.461 0.744 -8.353 588 HB2 ASN 82 HB3 ASN 82 3.995 1.601 -10.817 589 HB3 ASN 82 HB2 ASN 82 3.210 0.044 -10.558 590 HD21 ASN 82 HD21 ASN 82 2.714 1.727 -12.742 591 HD22 ASN 82 HD22 ASN 82 1.066 2.265 -12.648 592 H LEU 83 H LEU 83 4.386 1.931 -6.655 593 HA LEU 83 HA LEU 83 6.935 0.675 -7.318 594 HB2 LEU 83 HB3 LEU 83 7.525 1.657 -4.999 595 HB3 LEU 83 HB2 LEU 83 7.313 2.738 -6.373 596 HG LEU 83 HG LEU 83 5.116 3.375 -5.579 597 HD11 LEU 83 HD11 LEU 83 5.625 1.454 -3.306 598 HD12 LEU 83 HD12 LEU 83 4.440 1.253 -4.598 599 HD13 LEU 83 HD13 LEU 83 4.259 2.564 -3.438 600 HD21 LEU 83 HD21 LEU 83 6.994 3.491 -3.231 601 HD22 LEU 83 HD22 LEU 83 5.769 4.668 -3.715 602 HD23 LEU 83 HD23 LEU 83 7.226 4.457 -4.687 603 H VAL 84 H VAL 84 7.987 -0.223 -5.073 604 HA VAL 84 HA VAL 84 6.241 -2.477 -4.357 605 HB VAL 84 HB VAL 84 8.427 -3.436 -3.431 606 HG11 VAL 84 HG11 VAL 84 7.841 -4.564 -5.300 607 HG12 VAL 84 HG12 VAL 84 7.616 -3.089 -6.251 608 HG13 VAL 84 HG13 VAL 84 9.241 -3.723 -5.970 609 HG21 VAL 84 HG21 VAL 84 9.988 -1.831 -5.303 610 HG22 VAL 84 HG22 VAL 84 9.377 -0.913 -3.930 611 HG23 VAL 84 HG23 VAL 84 10.368 -2.344 -3.657 612 H TYR 85 H TYR 85 5.611 -2.874 -2.306 613 HA TYR 85 HA TYR 85 6.299 -0.846 -0.298 614 HB2 TYR 85 HB3 TYR 85 4.252 -1.238 0.690 615 HB3 TYR 85 HB2 TYR 85 3.866 -1.539 -0.977 616 HD1 TYR 85 HD1 TYR 85 3.721 -3.914 -1.794 617 HD2 TYR 85 HD2 TYR 85 4.051 -2.948 2.333 618 HE1 TYR 85 HE1 TYR 85 2.914 -6.163 -1.211 619 HE2 TYR 85 HE2 TYR 85 3.245 -5.193 2.929 620 HH TYR 85 HH TYR 85 2.611 -7.183 2.179 621 H VAL 86 H VAL 86 7.085 -1.365 1.722 622 HA VAL 86 HA VAL 86 8.273 -4.050 1.932 623 HB VAL 86 HB VAL 86 8.942 -1.534 3.470 624 HG11 VAL 86 HG11 VAL 86 9.755 -3.054 4.921 625 HG12 VAL 86 HG12 VAL 86 9.777 -4.349 3.718 626 HG13 VAL 86 HG13 VAL 86 11.079 -3.156 3.759 627 HG21 VAL 86 HG21 VAL 86 10.113 -0.939 1.678 628 HG22 VAL 86 HG22 VAL 86 11.120 -2.370 1.914 629 HG23 VAL 86 HG23 VAL 86 9.713 -2.447 0.854 630 H VAL 87 H VAL 87 7.292 -5.481 3.185 631 HA VAL 87 HA VAL 87 5.163 -4.816 4.941 632 HB VAL 87 HB VAL 87 5.393 -7.201 5.722 633 HG11 VAL 87 HG11 VAL 87 3.856 -6.775 3.977 634 HG12 VAL 87 HG12 VAL 87 5.149 -6.555 2.792 635 HG13 VAL 87 HG13 VAL 87 4.814 -8.160 3.450 636 HG21 VAL 87 HG21 VAL 87 6.945 -8.668 4.664 637 HG22 VAL 87 HG22 VAL 87 7.494 -7.398 3.567 638 HG23 VAL 87 HG23 VAL 87 7.866 -7.300 5.289 639 H ASN 88 H ASN 88 5.079 -4.503 7.105 640 HA ASN 88 HA ASN 88 7.469 -4.981 8.721 641 HB2 ASN 88 HB3 ASN 88 7.372 -2.560 7.746 642 HB3 ASN 88 HB2 ASN 88 6.114 -2.310 8.952 643 HD21 ASN 88 HD21 ASN 88 6.868 -1.338 10.673 644 HD22 ASN 88 HD22 ASN 88 8.420 -1.610 11.408 645 H TYR 89 H TYR 89 6.945 -5.838 10.623 646 HA TYR 89 HA TYR 89 4.700 -5.033 12.167 647 HB2 TYR 89 HB3 TYR 89 3.570 -7.334 12.078 648 HB3 TYR 89 HB2 TYR 89 3.304 -6.254 10.711 649 HD1 TYR 89 HD1 TYR 89 5.813 -8.844 11.731 650 HD2 TYR 89 HD2 TYR 89 3.371 -7.244 8.636 651 HE1 TYR 89 HE1 TYR 89 6.619 -10.591 10.202 652 HE2 TYR 89 HE2 TYR 89 4.166 -8.987 7.099 653 HH TYR 89 HH TYR 89 5.251 -11.589 7.665 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -33.345 16.868 -1.835 2 H2 MET 1 H2 MET 1 -31.745 16.850 -1.413 3 H3 MET 1 H3 MET 1 -32.524 15.434 -1.766 4 HA MET 1 HA MET 1 -32.559 17.031 0.604 5 HB2 MET 1 HB3 MET 1 -34.763 16.183 1.263 6 HB3 MET 1 HB2 MET 1 -34.873 17.209 -0.165 7 HG2 MET 1 HG3 MET 1 -34.664 14.876 -1.401 8 HG3 MET 1 HG2 MET 1 -35.328 14.293 0.124 9 HE1 MET 1 HE1 MET 1 -38.882 15.334 0.206 10 HE2 MET 1 HE2 MET 1 -37.519 14.455 0.903 11 HE3 MET 1 HE3 MET 1 -37.646 16.203 1.120 12 H ALA 2 H ALA 2 -32.790 13.965 -1.113 13 HA ALA 2 HA ALA 2 -31.964 12.526 1.313 14 HB1 ALA 2 HB1 ALA 2 -33.931 11.709 -0.011 15 HB2 ALA 2 HB2 ALA 2 -33.916 11.690 0.027 16 HB3 ALA 2 HB3 ALA 2 -32.621 10.510 0.192 17 H GLY 3 H GLY 3 -30.955 13.265 -1.984 18 HA2 GLY 3 HA3 GLY 3 -28.815 13.306 -2.865 19 HA3 GLY 3 HA2 GLY 3 -28.199 12.811 -1.293 20 H SER 4 H SER 4 -27.300 10.871 -1.208 21 HA SER 4 HA SER 4 -28.389 8.679 -2.792 22 HB2 SER 4 HB3 SER 4 -25.633 9.829 -3.184 23 HB3 SER 4 HB2 SER 4 -25.964 8.129 -3.527 24 HG SER 4 HG SER 4 -27.158 8.677 -5.210 25 H HIS 5 H HIS 5 -28.446 6.902 -1.595 26 HA HIS 5 HA HIS 5 -26.645 6.734 0.739 27 HB2 HIS 5 HB3 HIS 5 -28.329 5.452 1.868 28 HB3 HIS 5 HB2 HIS 5 -29.111 6.886 1.204 29 HD1 HIS 5 HD1 HIS 5 -29.465 3.307 1.389 30 HD2 HIS 5 HD2 HIS 5 -30.489 6.259 -1.359 31 HE1 HIS 5 HE1 HIS 5 -31.222 2.274 -0.093 32 HE2 HIS 5 HE2 HIS 5 -31.845 4.087 -1.774 33 H HIS 6 H HIS 6 -27.760 5.154 -2.141 34 HA HIS 6 HA HIS 6 -26.996 2.517 -1.651 35 HB2 HIS 6 HB3 HIS 6 -26.881 2.256 -4.072 36 HB3 HIS 6 HB2 HIS 6 -28.270 3.252 -3.641 37 HD1 HIS 6 HD1 HIS 6 -27.309 3.484 -6.461 38 HD2 HIS 6 HD2 HIS 6 -25.774 5.827 -3.385 39 HE1 HIS 6 HE1 HIS 6 -26.334 5.519 -7.579 40 HE2 HIS 6 HE2 HIS 6 -25.395 6.950 -5.692 41 H HIS 7 H HIS 7 -25.121 1.363 -2.625 42 HA HIS 7 HA HIS 7 -22.667 2.754 -1.886 43 HB2 HIS 7 HB3 HIS 7 -23.350 0.335 -1.207 44 HB3 HIS 7 HB2 HIS 7 -22.799 -0.100 -2.824 45 HD1 HIS 7 HD1 HIS 7 -21.537 1.230 0.464 46 HD2 HIS 7 HD2 HIS 7 -20.051 -0.172 -3.160 47 HE1 HIS 7 HE1 HIS 7 -19.059 0.945 0.812 48 HE2 HIS 7 HE2 HIS 7 -18.153 0.086 -1.410 49 H HIS 8 H HIS 8 -24.237 1.393 -4.712 50 HA HIS 8 HA HIS 8 -22.056 1.402 -6.479 51 HB2 HIS 8 HB3 HIS 8 -25.030 1.659 -6.896 52 HB3 HIS 8 HB2 HIS 8 -23.905 1.699 -8.253 53 HD1 HIS 8 HD1 HIS 8 -25.959 -0.547 -8.076 54 HD2 HIS 8 HD2 HIS 8 -22.117 -0.806 -6.501 55 HE1 HIS 8 HE1 HIS 8 -25.449 -3.010 -7.931 56 HE2 HIS 8 HE2 HIS 8 -23.095 -3.163 -6.967 57 H HIS 9 H HIS 9 -21.621 2.880 -8.254 58 HA HIS 9 HA HIS 9 -22.415 5.665 -7.731 59 HB2 HIS 9 HB3 HIS 9 -19.628 4.557 -7.898 60 HB3 HIS 9 HB2 HIS 9 -19.949 6.214 -8.411 61 HD1 HIS 9 HD1 HIS 9 -20.103 4.007 -5.346 62 HD2 HIS 9 HD2 HIS 9 -20.231 8.038 -6.371 63 HE1 HIS 9 HE1 HIS 9 -19.971 5.265 -3.169 64 HE2 HIS 9 HE2 HIS 9 -20.048 7.732 -3.801 65 H HIS 10 H HIS 10 -22.101 7.098 -9.565 66 HA HIS 10 HA HIS 10 -22.780 5.772 -12.040 67 HB2 HIS 10 HB3 HIS 10 -23.940 7.829 -11.401 68 HB3 HIS 10 HB2 HIS 10 -22.412 8.708 -11.395 69 HD1 HIS 10 HD1 HIS 10 -24.112 6.480 -13.991 70 HD2 HIS 10 HD2 HIS 10 -22.314 10.214 -13.624 71 HE1 HIS 10 HE1 HIS 10 -24.186 7.498 -16.293 72 HE2 HIS 10 HE2 HIS 10 -23.084 9.785 -16.063 73 H GLY 11 H GLY 11 -20.078 7.694 -10.792 74 HA2 GLY 11 HA3 GLY 11 -18.472 6.709 -13.070 75 HA3 GLY 11 HA2 GLY 11 -18.409 8.403 -12.598 76 H SER 12 H SER 12 -16.121 6.871 -12.704 77 HA SER 12 HA SER 12 -15.511 6.015 -9.983 78 HB2 SER 12 HB3 SER 12 -14.488 4.535 -11.426 79 HB3 SER 12 HB2 SER 12 -14.171 5.773 -12.644 80 HG SER 12 HG SER 12 -12.217 5.538 -11.808 81 H MET 13 H MET 13 -14.980 7.514 -8.546 82 HA MET 13 HA MET 13 -13.366 9.816 -9.451 83 HB2 MET 13 HB3 MET 13 -15.632 10.372 -8.579 84 HB3 MET 13 HB2 MET 13 -15.180 9.658 -7.035 85 HG2 MET 13 HG3 MET 13 -14.865 11.928 -6.700 86 HG3 MET 13 HG2 MET 13 -13.242 11.336 -7.051 87 HE1 MET 13 HE1 MET 13 -16.313 12.976 -8.015 88 HE2 MET 13 HE2 MET 13 -15.552 14.523 -8.398 89 HE3 MET 13 HE3 MET 13 -16.152 13.487 -9.698 90 H SER 14 H SER 14 -13.616 7.163 -7.229 91 HA SER 14 HA SER 14 -11.564 8.041 -5.436 92 HB2 SER 14 HB3 SER 14 -11.730 5.858 -4.443 93 HB3 SER 14 HB2 SER 14 -13.366 6.370 -4.870 94 HG SER 14 HG SER 14 -12.426 4.130 -5.496 95 H GLU 15 H GLU 15 -9.450 7.165 -5.199 96 HA GLU 15 HA GLU 15 -8.233 6.511 -7.781 97 HB2 GLU 15 HB3 GLU 15 -7.030 7.299 -5.121 98 HB3 GLU 15 HB2 GLU 15 -6.086 6.917 -6.556 99 HG2 GLU 15 HG3 GLU 15 -6.995 8.789 -7.736 100 HG3 GLU 15 HG2 GLU 15 -8.138 9.116 -6.432 101 H TYR 16 H TYR 16 -6.248 4.986 -7.563 102 HA TYR 16 HA TYR 16 -7.057 2.629 -5.977 103 HB2 TYR 16 HB3 TYR 16 -6.239 1.205 -7.801 104 HB3 TYR 16 HB2 TYR 16 -7.521 2.271 -8.360 105 HD1 TYR 16 HD2 TYR 16 -3.848 1.765 -8.366 106 HD2 TYR 16 HD1 TYR 16 -7.149 3.803 -10.124 107 HE1 TYR 16 HE2 TYR 16 -2.387 2.571 -10.169 108 HE2 TYR 16 HE1 TYR 16 -5.693 4.611 -11.934 109 HH TYR 16 HH TYR 16 -3.606 4.044 -13.011 110 H ILE 17 H ILE 17 -5.298 1.137 -5.452 111 HA ILE 17 HA ILE 17 -2.727 2.565 -5.158 112 HB ILE 17 HB ILE 17 -3.626 2.315 -2.982 113 HG12 ILE 17 HG13 ILE 17 -1.726 0.011 -3.425 114 HG13 ILE 17 HG12 ILE 17 -1.243 1.677 -3.233 115 HG21 ILE 17 HG21 ILE 17 -3.996 -0.399 -2.505 116 HG22 ILE 17 HG22 ILE 17 -5.248 0.829 -2.671 117 HG23 ILE 17 HG23 ILE 17 -4.746 -0.111 -4.073 118 HD11 ILE 17 HD11 ILE 17 -2.302 1.643 -0.977 119 HD12 ILE 17 HD12 ILE 17 -2.537 -0.093 -1.183 120 HD13 ILE 17 HD13 ILE 17 -0.907 0.581 -1.158 121 H ARG 18 H ARG 18 -1.047 1.693 -6.162 122 HA ARG 18 HA ARG 18 -1.174 -1.173 -6.869 123 HB2 ARG 18 HB3 ARG 18 -0.601 1.198 -8.477 124 HB3 ARG 18 HB2 ARG 18 0.649 -0.025 -8.602 125 HG2 ARG 18 HG3 ARG 18 -1.543 -1.563 -8.887 126 HG3 ARG 18 HG2 ARG 18 -2.117 -0.045 -9.584 127 HD2 ARG 18 HD3 ARG 18 0.439 -1.445 -10.372 128 HD3 ARG 18 HD2 ARG 18 -1.090 -1.581 -11.243 129 HE ARG 18 HE ARG 18 -0.240 1.138 -10.902 130 HH11 ARG 18 HH11 ARG 18 0.129 -1.733 -12.848 131 HH12 ARG 18 HH12 ARG 18 0.624 -0.865 -14.264 132 HH21 ARG 18 HH21 ARG 18 0.411 2.287 -12.762 133 HH22 ARG 18 HH22 ARG 18 0.785 1.420 -14.215 134 H VAL 19 H VAL 19 0.062 -2.174 -5.400 135 HA VAL 19 HA VAL 19 2.884 -1.449 -5.274 136 HB VAL 19 HB VAL 19 2.858 -1.733 -2.761 137 HG11 VAL 19 HG11 VAL 19 1.294 0.707 -3.245 138 HG12 VAL 19 HG12 VAL 19 2.908 0.507 -2.553 139 HG13 VAL 19 HG13 VAL 19 2.685 0.487 -4.304 140 HG21 VAL 19 HG21 VAL 19 0.644 -2.721 -2.542 141 HG22 VAL 19 HG22 VAL 19 0.746 -1.223 -1.614 142 HG23 VAL 19 HG23 VAL 19 -0.093 -1.243 -3.167 143 H THR 20 H THR 20 4.238 -3.132 -4.446 144 HA THR 20 HA THR 20 2.929 -5.775 -4.293 145 HB THR 20 HB THR 20 3.827 -5.885 -6.439 146 HG1 THR 20 HG1 THR 20 4.726 -7.682 -5.712 147 HG21 THR 20 HG21 THR 20 5.040 -3.947 -6.779 148 HG22 THR 20 HG22 THR 20 6.322 -5.161 -6.764 149 HG23 THR 20 HG23 THR 20 6.018 -4.181 -5.332 150 H GLU 21 H GLU 21 4.018 -7.361 -3.053 151 HA GLU 21 HA GLU 21 5.436 -6.266 -0.802 152 HB2 GLU 21 HB3 GLU 21 3.737 -8.252 -0.900 153 HB3 GLU 21 HB2 GLU 21 5.139 -9.204 -1.308 154 HG2 GLU 21 HG3 GLU 21 5.614 -7.504 0.984 155 HG3 GLU 21 HG2 GLU 21 4.247 -8.575 1.229 156 H ASP 22 H ASP 22 6.227 -8.617 -3.359 157 HA ASP 22 HA ASP 22 9.072 -8.293 -2.673 158 HB2 ASP 22 HB3 ASP 22 7.941 -10.445 -4.456 159 HB3 ASP 22 HB2 ASP 22 9.487 -10.426 -3.605 160 H GLU 23 H GLU 23 10.570 -7.717 -4.217 161 HA GLU 23 HA GLU 23 9.647 -6.083 -6.347 162 HB2 GLU 23 HB3 GLU 23 11.965 -5.736 -6.876 163 HB3 GLU 23 HB2 GLU 23 11.796 -5.755 -5.125 164 HG2 GLU 23 HG3 GLU 23 13.630 -7.071 -5.333 165 HG3 GLU 23 HG2 GLU 23 12.379 -8.309 -5.444 166 H ASN 24 H ASN 24 10.482 -9.435 -6.108 167 HA ASN 24 HA ASN 24 10.967 -9.880 -8.889 168 HB2 ASN 24 HB3 ASN 24 11.060 -12.182 -8.353 169 HB3 ASN 24 HB2 ASN 24 11.698 -11.356 -6.931 170 HD21 ASN 24 HD21 ASN 24 10.777 -11.715 -5.019 171 HD22 ASN 24 HD22 ASN 24 9.318 -12.622 -4.769 172 H ASP 25 H ASP 25 8.133 -9.691 -6.897 173 HA ASP 25 HA ASP 25 6.423 -10.950 -8.882 174 HB2 ASP 25 HB3 ASP 25 6.224 -10.859 -6.208 175 HB3 ASP 25 HB2 ASP 25 5.259 -9.437 -6.600 176 H GLU 26 H GLU 26 4.189 -9.562 -9.044 177 HA GLU 26 HA GLU 26 5.034 -7.038 -10.303 178 HB2 GLU 26 HB3 GLU 26 2.677 -8.857 -10.801 179 HB3 GLU 26 HB2 GLU 26 2.792 -7.243 -11.491 180 HG2 GLU 26 HG3 GLU 26 5.007 -7.971 -12.479 181 HG3 GLU 26 HG2 GLU 26 4.558 -9.614 -12.015 182 HA PRO 27 HA PRO 27 2.769 -4.574 -7.464 183 HB2 PRO 27 HB3 PRO 27 1.889 -2.578 -9.066 184 HB3 PRO 27 HB2 PRO 27 3.574 -2.742 -8.590 185 HG2 PRO 27 HG3 PRO 27 2.243 -3.563 -11.145 186 HG3 PRO 27 HG2 PRO 27 3.809 -2.762 -10.906 187 HD2 PRO 27 HD3 PRO 27 3.588 -5.418 -11.393 188 HD3 PRO 27 HD2 PRO 27 4.879 -4.735 -10.380 189 H ILE 28 H ILE 28 0.983 -5.588 -6.695 190 HA ILE 28 HA ILE 28 -1.291 -6.197 -8.333 191 HB ILE 28 HB ILE 28 -0.845 -7.633 -6.465 192 HG12 ILE 28 HG13 ILE 28 -3.297 -6.710 -7.065 193 HG13 ILE 28 HG12 ILE 28 -3.015 -7.917 -5.813 194 HG21 ILE 28 HG21 ILE 28 0.345 -6.257 -4.965 195 HG22 ILE 28 HG22 ILE 28 -0.992 -5.113 -4.829 196 HG23 ILE 28 HG23 ILE 28 -1.128 -6.720 -4.114 197 HD11 ILE 28 HD11 ILE 28 -3.310 -6.383 -4.099 198 HD12 ILE 28 HD12 ILE 28 -3.044 -5.000 -5.159 199 HD13 ILE 28 HD13 ILE 28 -4.534 -5.929 -5.285 200 H GLU 29 H GLU 29 -3.277 -5.208 -8.421 201 HA GLU 29 HA GLU 29 -3.380 -2.484 -7.294 202 HB2 GLU 29 HB3 GLU 29 -5.008 -1.993 -9.099 203 HB3 GLU 29 HB2 GLU 29 -3.427 -2.475 -9.710 204 HG2 GLU 29 HG3 GLU 29 -4.339 -4.788 -10.004 205 HG3 GLU 29 HG2 GLU 29 -5.932 -4.138 -9.608 206 H ILE 30 H ILE 30 -4.796 -2.096 -5.735 207 HA ILE 30 HA ILE 30 -7.183 -3.824 -5.537 208 HB ILE 30 HB ILE 30 -6.821 -3.115 -2.954 209 HG12 ILE 30 HG13 ILE 30 -4.025 -3.799 -3.800 210 HG13 ILE 30 HG12 ILE 30 -4.549 -2.135 -3.793 211 HG21 ILE 30 HG21 ILE 30 -6.362 -5.479 -4.584 212 HG22 ILE 30 HG22 ILE 30 -5.391 -5.468 -3.110 213 HG23 ILE 30 HG23 ILE 30 -7.147 -5.322 -3.012 214 HD11 ILE 30 HD11 ILE 30 -4.903 -2.140 -1.471 215 HD12 ILE 30 HD12 ILE 30 -4.804 -3.901 -1.389 216 HD13 ILE 30 HD13 ILE 30 -3.358 -2.952 -1.733 217 HA PRO 31 HA PRO 31 -9.629 -0.194 -5.237 218 HB2 PRO 31 HB3 PRO 31 -11.522 -0.924 -3.430 219 HB3 PRO 31 HB2 PRO 31 -11.466 -1.566 -5.078 220 HG2 PRO 31 HG3 PRO 31 -10.488 -2.798 -2.527 221 HG3 PRO 31 HG2 PRO 31 -11.381 -3.551 -3.865 222 HD2 PRO 31 HD3 PRO 31 -8.704 -3.823 -3.566 223 HD3 PRO 31 HD2 PRO 31 -9.489 -3.794 -5.160 224 H SER 32 H SER 32 -9.461 1.709 -4.221 225 HA SER 32 HA SER 32 -8.774 1.705 -1.348 226 HB2 SER 32 HB3 SER 32 -6.940 2.972 -1.687 227 HB3 SER 32 HB2 SER 32 -7.063 2.476 -3.374 228 HG SER 32 HG SER 32 -8.394 4.363 -3.692 229 H GLU 33 H GLU 33 -9.365 3.663 -0.191 230 HA GLU 33 HA GLU 33 -12.019 4.451 -0.699 231 HB2 GLU 33 HB3 GLU 33 -9.870 5.339 1.177 232 HB3 GLU 33 HB2 GLU 33 -11.294 6.358 0.993 233 HG2 GLU 33 HG3 GLU 33 -12.563 4.088 1.388 234 HG3 GLU 33 HG2 GLU 33 -11.043 3.637 2.162 235 H ASP 34 H ASP 34 -12.814 6.646 -1.068 236 HA ASP 34 HA ASP 34 -11.713 7.769 -3.422 237 HB2 ASP 34 HB3 ASP 34 -13.499 9.317 -3.351 238 HB3 ASP 34 HB2 ASP 34 -14.144 7.842 -2.630 239 H ASP 35 H ASP 35 -11.245 8.423 -0.046 240 HA ASP 35 HA ASP 35 -10.187 11.045 -0.294 241 HB2 ASP 35 HB3 ASP 35 -10.183 8.932 1.817 242 HB3 ASP 35 HB2 ASP 35 -9.035 10.262 1.967 243 H GLY 36 H GLY 36 -8.923 7.945 -1.014 244 HA2 GLY 36 HA3 GLY 36 -6.939 7.854 -2.402 245 HA3 GLY 36 HA2 GLY 36 -6.274 9.171 -1.460 246 H THR 37 H THR 37 -7.788 7.183 0.679 247 HA THR 37 HA THR 37 -5.236 5.936 1.423 248 HB THR 37 HB THR 37 -6.120 5.637 3.610 249 HG1 THR 37 HG1 THR 37 -8.658 6.612 2.806 250 HG21 THR 37 HG21 THR 37 -7.451 8.188 3.379 251 HG22 THR 37 HG22 THR 37 -5.981 8.159 2.402 252 HG23 THR 37 HG23 THR 37 -5.899 7.796 4.128 253 H VAL 38 H VAL 38 -5.837 3.769 2.797 254 HA VAL 38 HA VAL 38 -7.561 2.084 1.107 255 HB VAL 38 HB VAL 38 -4.709 1.458 1.885 256 HG11 VAL 38 HG11 VAL 38 -5.130 -0.709 0.692 257 HG12 VAL 38 HG12 VAL 38 -5.951 -0.542 2.244 258 HG13 VAL 38 HG13 VAL 38 -6.854 -0.325 0.739 259 HG21 VAL 38 HG21 VAL 38 -4.206 1.497 -0.389 260 HG22 VAL 38 HG22 VAL 38 -5.901 1.373 -0.867 261 HG23 VAL 38 HG23 VAL 38 -5.281 2.876 -0.184 262 H LEU 39 H LEU 39 -8.980 1.033 2.318 263 HA LEU 39 HA LEU 39 -9.001 1.069 5.114 264 HB2 LEU 39 HB3 LEU 39 -10.661 0.125 3.029 265 HB3 LEU 39 HB2 LEU 39 -10.431 -1.215 4.153 266 HG LEU 39 HG LEU 39 -12.437 -0.048 4.741 267 HD11 LEU 39 HD11 LEU 39 -10.424 0.904 6.750 268 HD12 LEU 39 HD12 LEU 39 -10.763 -0.814 6.527 269 HD13 LEU 39 HD13 LEU 39 -12.056 0.283 7.017 270 HD21 LEU 39 HD21 LEU 39 -12.721 2.175 4.685 271 HD22 LEU 39 HD22 LEU 39 -11.225 2.187 3.748 272 HD23 LEU 39 HD23 LEU 39 -11.182 2.492 5.486 273 H LEU 40 H LEU 40 -8.544 -0.476 6.683 274 HA LEU 40 HA LEU 40 -6.240 -2.028 6.293 275 HB2 LEU 40 HB3 LEU 40 -7.112 -1.127 8.465 276 HB3 LEU 40 HB2 LEU 40 -8.318 -2.411 8.445 277 HG LEU 40 HG LEU 40 -6.250 -2.759 9.897 278 HD11 LEU 40 HD11 LEU 40 -6.266 -5.081 8.147 279 HD12 LEU 40 HD12 LEU 40 -7.886 -4.509 8.543 280 HD13 LEU 40 HD13 LEU 40 -6.758 -4.929 9.832 281 HD21 LEU 40 HD21 LEU 40 -4.841 -3.780 7.506 282 HD22 LEU 40 HD22 LEU 40 -4.200 -3.083 8.996 283 HD23 LEU 40 HD23 LEU 40 -4.843 -2.033 7.734 284 H SER 41 H SER 41 -9.621 -2.773 5.918 285 HA SER 41 HA SER 41 -9.450 -5.591 6.002 286 HB2 SER 41 HB3 SER 41 -11.593 -4.414 6.154 287 HB3 SER 41 HB2 SER 41 -11.401 -3.822 4.500 288 HG SER 41 HG SER 41 -12.709 -5.846 4.963 289 H THR 42 H THR 42 -9.070 -3.260 3.376 290 HA THR 42 HA THR 42 -8.825 -5.238 1.322 291 HB THR 42 HB THR 42 -7.796 -2.402 1.189 292 HG1 THR 42 HG1 THR 42 -10.437 -3.420 0.867 293 HG21 THR 42 HG21 THR 42 -8.942 -4.164 -0.978 294 HG22 THR 42 HG22 THR 42 -7.215 -4.021 -0.643 295 HG23 THR 42 HG23 THR 42 -8.131 -2.608 -1.170 296 H VAL 43 H VAL 43 -6.618 -3.655 3.512 297 HA VAL 43 HA VAL 43 -4.206 -4.241 2.131 298 HB VAL 43 HB VAL 43 -4.812 -3.636 5.023 299 HG11 VAL 43 HG11 VAL 43 -2.231 -4.485 3.770 300 HG12 VAL 43 HG12 VAL 43 -2.230 -3.348 5.120 301 HG13 VAL 43 HG13 VAL 43 -2.934 -4.955 5.320 302 HG21 VAL 43 HG21 VAL 43 -4.155 -2.107 2.648 303 HG22 VAL 43 HG22 VAL 43 -4.784 -1.561 4.203 304 HG23 VAL 43 HG23 VAL 43 -3.045 -1.770 3.977 305 H THR 44 H THR 44 -6.137 -6.021 4.480 306 HA THR 44 HA THR 44 -4.185 -8.130 4.763 307 HB THR 44 HB THR 44 -5.877 -9.276 6.102 308 HG1 THR 44 HG1 THR 44 -7.657 -7.120 5.612 309 HG21 THR 44 HG21 THR 44 -4.995 -6.548 6.595 310 HG22 THR 44 HG22 THR 44 -5.054 -7.931 7.691 311 HG23 THR 44 HG23 THR 44 -6.489 -6.934 7.452 312 H ALA 45 H ALA 45 -6.563 -7.336 2.481 313 HA ALA 45 HA ALA 45 -7.479 -9.886 1.702 314 HB1 ALA 45 HB1 ALA 45 -8.529 -7.753 1.015 315 HB2 ALA 45 HB2 ALA 45 -8.547 -7.791 1.004 316 HB3 ALA 45 HB3 ALA 45 -8.162 -8.823 -0.369 317 H GLN 46 H GLN 46 -4.768 -7.910 0.512 318 HA GLN 46 HA GLN 46 -3.735 -10.312 -0.854 319 HB2 GLN 46 HB3 GLN 46 -3.124 -7.416 -1.478 320 HB3 GLN 46 HB2 GLN 46 -2.556 -8.816 -2.366 321 HG2 GLN 46 HG3 GLN 46 -5.286 -7.620 -2.268 322 HG3 GLN 46 HG2 GLN 46 -4.302 -8.050 -3.667 323 HE21 GLN 46 HE21 GLN 46 -3.717 -10.518 -3.611 324 HE22 GLN 46 HE22 GLN 46 -5.084 -11.565 -3.389 325 H PHE 47 H PHE 47 -3.181 -7.999 1.602 326 HA PHE 47 HA PHE 47 -0.460 -9.081 1.995 327 HB2 PHE 47 HB3 PHE 47 -1.171 -6.309 2.881 328 HB3 PHE 47 HB2 PHE 47 0.397 -6.989 2.553 329 HD1 PHE 47 HD2 PHE 47 0.248 -8.064 -0.086 330 HD2 PHE 47 HD1 PHE 47 -1.578 -4.544 1.468 331 HE1 PHE 47 HE2 PHE 47 0.189 -7.103 -2.345 332 HE2 PHE 47 HE1 PHE 47 -1.642 -3.577 -0.793 333 HZ PHE 47 HZ PHE 47 -0.766 -4.852 -2.704 334 HA PRO 48 HA PRO 48 -3.095 -9.930 5.716 335 HB2 PRO 48 HB3 PRO 48 -2.218 -12.483 6.034 336 HB3 PRO 48 HB2 PRO 48 -3.565 -12.052 4.975 337 HG2 PRO 48 HG3 PRO 48 -0.702 -12.588 4.277 338 HG3 PRO 48 HG2 PRO 48 -2.174 -13.123 3.450 339 HD2 PRO 48 HD3 PRO 48 -0.697 -11.032 2.577 340 HD3 PRO 48 HD2 PRO 48 -2.460 -11.104 2.372 341 H GLY 49 H GLY 49 -2.364 -9.403 7.682 342 HA2 GLY 49 HA3 GLY 49 -0.955 -9.357 9.524 343 HA3 GLY 49 HA2 GLY 49 0.193 -10.344 8.647 344 H ALA 50 H ALA 50 -0.717 -7.742 6.760 345 HA ALA 50 HA ALA 50 1.843 -6.438 7.237 346 HB1 ALA 50 HB1 ALA 50 1.191 -5.072 5.232 347 HB2 ALA 50 HB2 ALA 50 1.150 -5.062 5.241 348 HB3 ALA 50 HB3 ALA 50 -0.274 -6.086 5.126 349 H CYS 51 H CYS 51 1.906 -5.047 8.878 350 HA CYS 51 HA CYS 51 -0.428 -3.367 9.444 351 HB2 CYS 51 HB3 CYS 51 0.978 -4.679 11.205 352 HB3 CYS 51 HB2 CYS 51 2.111 -3.347 11.047 353 HG CYS 51 HG CYS 51 0.926 -1.837 12.742 354 H GLY 52 H GLY 52 3.093 -2.978 8.983 355 HA2 GLY 52 HA3 GLY 52 2.553 -0.205 8.128 356 HA3 GLY 52 HA2 GLY 52 4.013 -0.696 8.931 357 H LEU 53 H LEU 53 3.099 0.411 6.135 358 HA LEU 53 HA LEU 53 4.850 -1.391 4.585 359 HB2 LEU 53 HB3 LEU 53 2.627 0.292 3.450 360 HB3 LEU 53 HB2 LEU 53 3.573 -0.937 2.623 361 HG LEU 53 HG LEU 53 1.388 -1.308 4.646 362 HD11 LEU 53 HD11 LEU 53 0.321 -1.383 2.656 363 HD12 LEU 53 HD12 LEU 53 0.910 -3.049 2.670 364 HD13 LEU 53 HD13 LEU 53 1.786 -1.814 1.767 365 HD21 LEU 53 HD21 LEU 53 3.721 -3.008 4.147 366 HD22 LEU 53 HD22 LEU 53 2.170 -3.833 4.028 367 HD23 LEU 53 HD23 LEU 53 2.605 -2.983 5.511 368 H ARG 54 H ARG 54 6.448 -0.495 3.363 369 HA ARG 54 HA ARG 54 6.848 2.406 3.704 370 HB2 ARG 54 HB3 ARG 54 8.854 0.230 3.102 371 HB3 ARG 54 HB2 ARG 54 9.236 1.923 3.259 372 HG2 ARG 54 HG3 ARG 54 8.304 1.806 5.601 373 HG3 ARG 54 HG2 ARG 54 8.280 0.051 5.398 374 HD2 ARG 54 HD3 ARG 54 10.646 1.907 5.411 375 HD3 ARG 54 HD2 ARG 54 10.317 0.540 6.479 376 HE ARG 54 HE ARG 54 10.483 -0.499 3.920 377 HH11 ARG 54 HH11 ARG 54 12.559 1.239 6.117 378 HH12 ARG 54 HH12 ARG 54 14.018 0.532 5.502 379 HH21 ARG 54 HH21 ARG 54 12.397 -1.433 3.104 380 HH22 ARG 54 HH22 ARG 54 13.925 -0.987 3.788 381 H TYR 55 H TYR 55 8.238 3.366 1.868 382 HA TYR 55 HA TYR 55 7.041 2.509 -0.690 383 HB2 TYR 55 HB3 TYR 55 7.732 5.198 0.423 384 HB3 TYR 55 HB2 TYR 55 7.723 4.970 -1.311 385 HD1 TYR 55 HD1 TYR 55 5.470 3.316 -1.881 386 HD2 TYR 55 HD2 TYR 55 5.839 6.339 1.088 387 HE1 TYR 55 HE1 TYR 55 3.033 3.636 -1.914 388 HE2 TYR 55 HE2 TYR 55 3.404 6.665 1.067 389 HH TYR 55 HH TYR 55 1.373 5.352 0.461 390 H ARG 56 H ARG 56 8.340 1.793 -2.239 391 HA ARG 56 HA ARG 56 11.202 2.489 -2.113 392 HB2 ARG 56 HB3 ARG 56 10.966 0.212 -1.312 393 HB3 ARG 56 HB2 ARG 56 9.994 -0.215 -2.716 394 HG2 ARG 56 HG3 ARG 56 12.216 -1.074 -2.996 395 HG3 ARG 56 HG2 ARG 56 11.947 0.223 -4.162 396 HD2 ARG 56 HD3 ARG 56 13.211 0.801 -1.509 397 HD3 ARG 56 HD2 ARG 56 14.174 0.147 -2.839 398 HE ARG 56 HE ARG 56 12.854 2.284 -3.928 399 HH11 ARG 56 HH11 ARG 56 14.989 1.807 -1.210 400 HH12 ARG 56 HH12 ARG 56 15.659 3.405 -1.292 401 HH21 ARG 56 HH21 ARG 56 13.730 4.388 -4.038 402 HH22 ARG 56 HH22 ARG 56 14.940 4.872 -2.897 403 H ASN 57 H ASN 57 11.399 3.876 -3.773 404 HA ASN 57 HA ASN 57 10.556 2.913 -6.427 405 HB2 ASN 57 HB3 ASN 57 9.473 5.124 -5.088 406 HB3 ASN 57 HB2 ASN 57 10.556 5.799 -6.284 407 HD21 ASN 57 HD21 ASN 57 10.333 3.948 -8.306 408 HD22 ASN 57 HD22 ASN 57 8.721 3.991 -8.944 409 HA PRO 58 HA PRO 58 14.954 3.616 -6.971 410 HB2 PRO 58 HB3 PRO 58 15.077 2.426 -9.412 411 HB3 PRO 58 HB2 PRO 58 15.040 1.518 -7.903 412 HG2 PRO 58 HG3 PRO 58 12.811 2.116 -9.802 413 HG3 PRO 58 HG2 PRO 58 13.193 0.594 -8.971 414 HD2 PRO 58 HD3 PRO 58 11.254 2.276 -8.107 415 HD3 PRO 58 HD2 PRO 58 12.209 1.287 -6.999 416 H VAL 59 H VAL 59 12.305 4.559 -9.026 417 HA VAL 59 HA VAL 59 13.968 6.255 -10.700 418 HB VAL 59 HB VAL 59 11.829 6.918 -11.769 419 HG11 VAL 59 HG11 VAL 59 11.479 4.876 -12.920 420 HG12 VAL 59 HG12 VAL 59 13.178 4.888 -12.435 421 HG13 VAL 59 HG13 VAL 59 12.010 3.919 -11.532 422 HG21 VAL 59 HG21 VAL 59 9.834 6.538 -10.847 423 HG22 VAL 59 HG22 VAL 59 10.211 4.837 -10.557 424 HG23 VAL 59 HG23 VAL 59 10.696 6.059 -9.382 425 H SER 60 H SER 60 12.145 6.498 -7.800 426 HA SER 60 HA SER 60 11.930 9.405 -7.973 427 HB2 SER 60 HB3 SER 60 11.095 7.628 -5.675 428 HB3 SER 60 HB2 SER 60 10.581 9.286 -5.996 429 HG SER 60 HG SER 60 9.059 8.500 -7.196 430 H GLN 61 H GLN 61 13.807 6.922 -6.412 431 HA GLN 61 HA GLN 61 15.687 6.993 -5.130 432 HB2 GLN 61 HB3 GLN 61 15.872 9.907 -5.916 433 HB3 GLN 61 HB2 GLN 61 17.182 8.868 -5.368 434 HG2 GLN 61 HG3 GLN 61 17.122 7.595 -7.376 435 HG3 GLN 61 HG2 GLN 61 15.630 8.378 -7.897 436 HE21 GLN 61 HE21 GLN 61 19.054 8.587 -7.715 437 HE22 GLN 61 HE22 GLN 61 19.232 10.066 -8.606 438 H CYS 62 H CYS 62 13.020 7.768 -4.055 439 HA CYS 62 HA CYS 62 13.730 9.614 -1.900 440 HB2 CYS 62 HB3 CYS 62 11.185 8.532 -3.015 441 HB3 CYS 62 HB2 CYS 62 11.199 8.998 -1.317 442 HG CYS 62 HG CYS 62 11.262 11.587 -1.638 443 H MET 63 H MET 63 12.532 8.889 0.277 444 HA MET 63 HA MET 63 13.008 6.057 0.821 445 HB2 MET 63 HB3 MET 63 15.087 7.643 1.268 446 HB3 MET 63 HB2 MET 63 14.204 8.000 2.749 447 HG2 MET 63 HG3 MET 63 14.206 5.659 3.356 448 HG3 MET 63 HG2 MET 63 14.995 5.243 1.834 449 HE1 MET 63 HE1 MET 63 17.031 5.350 1.229 450 HE2 MET 63 HE2 MET 63 18.398 6.227 1.919 451 HE3 MET 63 HE3 MET 63 18.002 4.607 2.502 452 H ARG 64 H ARG 64 10.617 7.601 0.673 453 HA ARG 64 HA ARG 64 9.794 8.085 3.421 454 HB2 ARG 64 HB3 ARG 64 7.646 8.776 2.409 455 HB3 ARG 64 HB2 ARG 64 9.022 9.644 1.735 456 HG2 ARG 64 HG3 ARG 64 8.723 8.791 -0.322 457 HG3 ARG 64 HG2 ARG 64 8.248 7.204 0.290 458 HD2 ARG 64 HD3 ARG 64 6.303 8.032 -0.708 459 HD3 ARG 64 HD2 ARG 64 6.066 8.342 1.012 460 HE ARG 64 HE ARG 64 6.001 10.570 0.541 461 HH11 ARG 64 HH11 ARG 64 7.641 8.932 -2.063 462 HH12 ARG 64 HH12 ARG 64 7.785 10.355 -3.041 463 HH21 ARG 64 HH21 ARG 64 6.186 12.449 -0.738 464 HH22 ARG 64 HH22 ARG 64 6.960 12.356 -2.287 465 H GLY 65 H GLY 65 7.308 7.280 3.702 466 HA2 GLY 65 HA3 GLY 65 7.018 4.511 2.833 467 HA3 GLY 65 HA2 GLY 65 7.260 4.751 4.559 468 H VAL 66 H VAL 66 4.973 3.549 3.461 469 HA VAL 66 HA VAL 66 2.820 5.394 3.192 470 HB VAL 66 HB VAL 66 2.625 2.493 4.021 471 HG11 VAL 66 HG11 VAL 66 0.579 3.842 4.274 472 HG12 VAL 66 HG12 VAL 66 0.671 4.273 2.565 473 HG13 VAL 66 HG13 VAL 66 0.415 2.592 3.041 474 HG21 VAL 66 HG21 VAL 66 3.430 1.924 2.027 475 HG22 VAL 66 HG22 VAL 66 2.094 2.790 1.269 476 HG23 VAL 66 HG23 VAL 66 3.616 3.622 1.582 477 H ARG 67 H ARG 67 1.296 6.077 4.655 478 HA ARG 67 HA ARG 67 2.097 5.911 7.461 479 HB2 ARG 67 HB3 ARG 67 1.648 8.130 6.724 480 HB3 ARG 67 HB2 ARG 67 0.132 7.649 5.967 481 HG2 ARG 67 HG3 ARG 67 -0.326 8.857 7.992 482 HG3 ARG 67 HG2 ARG 67 -0.798 7.168 8.200 483 HD2 ARG 67 HD3 ARG 67 1.667 6.969 9.140 484 HD3 ARG 67 HD2 ARG 67 1.441 8.691 9.439 485 HE ARG 67 HE ARG 67 0.163 6.497 10.816 486 HH11 ARG 67 HH11 ARG 67 0.016 9.889 10.017 487 HH12 ARG 67 HH12 ARG 67 -0.986 10.296 11.373 488 HH21 ARG 67 HH21 ARG 67 -1.154 7.023 12.598 489 HH22 ARG 67 HH22 ARG 67 -1.651 8.667 12.841 490 H LEU 68 H LEU 68 0.929 4.953 9.048 491 HA LEU 68 HA LEU 68 -1.523 3.536 8.213 492 HB2 LEU 68 HB3 LEU 68 0.329 2.019 8.684 493 HB3 LEU 68 HB2 LEU 68 0.531 2.743 10.279 494 HG LEU 68 HG LEU 68 -0.672 0.464 10.059 495 HD11 LEU 68 HD11 LEU 68 -0.664 2.397 11.958 496 HD12 LEU 68 HD12 LEU 68 -1.460 0.833 12.132 497 HD13 LEU 68 HD13 LEU 68 -2.394 2.249 11.643 498 HD21 LEU 68 HD21 LEU 68 -2.231 1.653 8.275 499 HD22 LEU 68 HD22 LEU 68 -3.151 2.077 9.717 500 HD23 LEU 68 HD23 LEU 68 -2.837 0.382 9.335 501 H VAL 69 H VAL 69 -3.292 4.382 9.066 502 HA VAL 69 HA VAL 69 -3.246 5.215 11.886 503 HB VAL 69 HB VAL 69 -3.004 7.288 10.674 504 HG11 VAL 69 HG11 VAL 69 -4.601 6.002 8.733 505 HG12 VAL 69 HG12 VAL 69 -5.481 7.438 9.259 506 HG13 VAL 69 HG13 VAL 69 -3.835 7.586 8.637 507 HG21 VAL 69 HG21 VAL 69 -5.916 7.274 11.337 508 HG22 VAL 69 HG22 VAL 69 -4.736 6.944 12.608 509 HG23 VAL 69 HG23 VAL 69 -4.678 8.471 11.725 510 H GLU 70 H GLU 70 -4.794 4.194 12.955 511 HA GLU 70 HA GLU 70 -6.711 3.063 13.443 512 HB2 GLU 70 HB3 GLU 70 -7.920 4.632 11.158 513 HB3 GLU 70 HB2 GLU 70 -8.779 3.884 12.498 514 HG2 GLU 70 HG3 GLU 70 -6.740 6.053 12.895 515 HG3 GLU 70 HG2 GLU 70 -8.447 6.387 12.609 516 H GLY 71 H GLY 71 -4.838 2.117 11.275 517 HA2 GLY 71 HA3 GLY 71 -4.834 -0.032 10.300 518 HA3 GLY 71 HA2 GLY 71 -6.592 -0.024 10.318 519 H ILE 72 H ILE 72 -6.546 2.747 9.126 520 HA ILE 72 HA ILE 72 -6.548 1.870 6.371 521 HB ILE 72 HB ILE 72 -7.103 4.608 7.525 522 HG12 ILE 72 HG13 ILE 72 -9.339 3.075 6.429 523 HG13 ILE 72 HG12 ILE 72 -8.595 2.288 7.811 524 HG21 ILE 72 HG21 ILE 72 -6.902 3.606 4.800 525 HG22 ILE 72 HG22 ILE 72 -8.449 4.386 5.134 526 HG23 ILE 72 HG23 ILE 72 -6.939 5.266 5.399 527 HD11 ILE 72 HD11 ILE 72 -9.133 5.168 8.115 528 HD12 ILE 72 HD12 ILE 72 -10.544 4.112 8.009 529 HD13 ILE 72 HD13 ILE 72 -9.330 3.840 9.261 530 H LEU 73 H LEU 73 -4.763 1.836 5.188 531 HA LEU 73 HA LEU 73 -2.408 3.294 5.913 532 HB2 LEU 73 HB3 LEU 73 -3.170 1.532 3.610 533 HB3 LEU 73 HB2 LEU 73 -1.668 2.428 3.586 534 HG LEU 73 HG LEU 73 -1.259 0.165 4.304 535 HD11 LEU 73 HD11 LEU 73 0.051 1.998 5.326 536 HD12 LEU 73 HD12 LEU 73 -0.096 0.583 6.373 537 HD13 LEU 73 HD13 LEU 73 -1.082 2.014 6.676 538 HD21 LEU 73 HD21 LEU 73 -2.337 -0.900 6.080 539 HD22 LEU 73 HD22 LEU 73 -3.643 -0.073 5.226 540 HD23 LEU 73 HD23 LEU 73 -2.989 0.612 6.713 541 H HIS 74 H HIS 74 -2.538 5.461 5.757 542 HA HIS 74 HA HIS 74 -3.911 6.785 3.612 543 HB2 HIS 74 HB3 HIS 74 -3.813 7.864 5.769 544 HB3 HIS 74 HB2 HIS 74 -2.061 7.814 5.762 545 HD1 HIS 74 HD1 HIS 74 -4.358 9.034 2.997 546 HD2 HIS 74 HD2 HIS 74 -1.417 10.450 5.575 547 HE1 HIS 74 HE1 HIS 74 -3.926 11.412 2.290 548 HE2 HIS 74 HE2 HIS 74 -2.125 12.276 3.873 549 H ALA 75 H ALA 75 -3.073 7.864 1.856 550 HA ALA 75 HA ALA 75 -0.402 7.004 1.031 551 HB1 ALA 75 HB1 ALA 75 -1.686 6.601 -0.785 552 HB2 ALA 75 HB2 ALA 75 -1.643 6.621 -0.801 553 HB3 ALA 75 HB3 ALA 75 -1.361 8.329 -1.114 554 HA PRO 76 HA PRO 76 1.580 10.886 1.523 555 HB2 PRO 76 HB3 PRO 76 3.147 11.020 -0.694 556 HB3 PRO 76 HB2 PRO 76 3.474 9.917 0.652 557 HG2 PRO 76 HG3 PRO 76 2.146 9.363 -1.968 558 HG3 PRO 76 HG2 PRO 76 3.341 8.399 -1.104 559 HD2 PRO 76 HD3 PRO 76 0.700 7.816 -1.046 560 HD3 PRO 76 HD2 PRO 76 1.771 7.497 0.327 561 H ASP 77 H ASP 77 2.329 12.856 -0.024 562 HA ASP 77 HA ASP 77 -0.153 14.011 -0.938 563 HB2 ASP 77 HB3 ASP 77 1.206 16.036 -1.334 564 HB3 ASP 77 HB2 ASP 77 1.438 15.390 0.290 565 H ALA 78 H ALA 78 1.946 11.942 -2.366 566 HA ALA 78 HA ALA 78 1.641 13.136 -5.042 567 HB1 ALA 78 HB1 ALA 78 3.798 11.734 -3.751 568 HB2 ALA 78 HB2 ALA 78 3.803 11.781 -3.760 569 HB3 ALA 78 HB3 ALA 78 3.763 12.557 -5.338 570 H GLY 79 H GLY 79 0.895 10.343 -3.069 571 HA2 GLY 79 HA3 GLY 79 -1.276 9.292 -3.730 572 HA3 GLY 79 HA2 GLY 79 -0.607 9.210 -5.344 573 H TRP 80 H TRP 80 -1.181 6.904 -5.093 574 HA TRP 80 HA TRP 80 0.494 5.350 -3.302 575 HB2 TRP 80 HB3 TRP 80 -1.621 4.606 -5.326 576 HB3 TRP 80 HB2 TRP 80 -0.662 3.404 -4.486 577 HD1 TRP 80 HD1 TRP 80 -3.832 5.194 -4.191 578 HE1 TRP 80 HE1 TRP 80 -4.800 5.005 -1.810 579 HE3 TRP 80 HE3 TRP 80 0.321 3.444 -1.780 580 HZ2 TRP 80 HZ2 TRP 80 -3.909 4.209 0.747 581 HZ3 TRP 80 HZ3 TRP 80 0.178 2.994 0.633 582 HH2 TRP 80 HH2 TRP 80 -1.891 3.369 1.868 583 H GLY 81 H GLY 81 -0.043 5.357 -6.840 584 HA2 GLY 81 HA3 GLY 81 1.583 5.294 -8.517 585 HA3 GLY 81 HA2 GLY 81 2.822 5.109 -7.281 586 H ASN 82 H ASN 82 3.691 3.507 -8.794 587 HA ASN 82 HA ASN 82 2.393 0.888 -8.395 588 HB2 ASN 82 HB3 ASN 82 3.599 0.349 -10.668 589 HB3 ASN 82 HB2 ASN 82 2.032 1.150 -10.664 590 HD21 ASN 82 HD21 ASN 82 1.861 3.243 -11.344 591 HD22 ASN 82 HD22 ASN 82 3.171 4.113 -12.080 592 H LEU 83 H LEU 83 4.352 2.039 -6.712 593 HA LEU 83 HA LEU 83 6.879 0.757 -7.416 594 HB2 LEU 83 HB3 LEU 83 7.488 1.712 -5.080 595 HB3 LEU 83 HB2 LEU 83 7.315 2.795 -6.456 596 HG LEU 83 HG LEU 83 5.129 3.490 -5.680 597 HD11 LEU 83 HD11 LEU 83 4.216 2.700 -3.565 598 HD12 LEU 83 HD12 LEU 83 5.567 1.580 -3.382 599 HD13 LEU 83 HD13 LEU 83 4.414 1.367 -4.700 600 HD21 LEU 83 HD21 LEU 83 7.340 4.429 -4.730 601 HD22 LEU 83 HD22 LEU 83 6.886 3.583 -3.254 602 HD23 LEU 83 HD23 LEU 83 5.828 4.831 -3.917 603 H VAL 84 H VAL 84 7.941 -0.159 -5.179 604 HA VAL 84 HA VAL 84 6.173 -2.397 -4.457 605 HB VAL 84 HB VAL 84 9.165 -2.179 -4.082 606 HG11 VAL 84 HG11 VAL 84 9.143 -4.469 -3.522 607 HG12 VAL 84 HG12 VAL 84 7.827 -3.746 -2.594 608 HG13 VAL 84 HG13 VAL 84 7.474 -4.666 -4.058 609 HG21 VAL 84 HG21 VAL 84 7.601 -2.709 -6.441 610 HG22 VAL 84 HG22 VAL 84 9.351 -2.554 -6.267 611 HG23 VAL 84 HG23 VAL 84 8.574 -4.118 -6.011 612 H TYR 85 H TYR 85 5.481 -2.702 -2.428 613 HA TYR 85 HA TYR 85 6.298 -0.744 -0.407 614 HB2 TYR 85 HB3 TYR 85 4.243 -1.050 0.598 615 HB3 TYR 85 HB2 TYR 85 3.831 -1.337 -1.065 616 HD1 TYR 85 HD1 TYR 85 3.481 -3.662 -1.878 617 HD2 TYR 85 HD2 TYR 85 4.094 -2.794 2.236 618 HE1 TYR 85 HE1 TYR 85 2.591 -5.876 -1.284 619 HE2 TYR 85 HE2 TYR 85 3.203 -5.001 2.843 620 HH TYR 85 HH TYR 85 2.366 -7.385 0.382 621 H VAL 86 H VAL 86 7.156 -1.292 1.557 622 HA VAL 86 HA VAL 86 8.200 -4.030 1.757 623 HB VAL 86 HB VAL 86 9.007 -1.657 3.434 624 HG11 VAL 86 HG11 VAL 86 10.916 -3.808 2.844 625 HG12 VAL 86 HG12 VAL 86 10.557 -2.987 4.367 626 HG13 VAL 86 HG13 VAL 86 9.523 -4.303 3.805 627 HG21 VAL 86 HG21 VAL 86 9.599 -2.258 0.649 628 HG22 VAL 86 HG22 VAL 86 9.901 -0.789 1.579 629 HG23 VAL 86 HG23 VAL 86 11.054 -2.122 1.638 630 H VAL 87 H VAL 87 7.095 -5.411 2.970 631 HA VAL 87 HA VAL 87 5.041 -4.688 4.754 632 HB VAL 87 HB VAL 87 5.190 -7.050 5.562 633 HG11 VAL 87 HG11 VAL 87 4.743 -8.049 3.247 634 HG12 VAL 87 HG12 VAL 87 3.724 -6.703 3.765 635 HG13 VAL 87 HG13 VAL 87 5.047 -6.425 2.628 636 HG21 VAL 87 HG21 VAL 87 7.192 -7.633 3.440 637 HG22 VAL 87 HG22 VAL 87 7.774 -7.001 4.979 638 HG23 VAL 87 HG23 VAL 87 6.845 -8.499 4.940 639 H ASN 88 H ASN 88 4.923 -4.601 6.986 640 HA ASN 88 HA ASN 88 7.394 -4.895 8.527 641 HB2 ASN 88 HB3 ASN 88 7.108 -2.473 7.703 642 HB3 ASN 88 HB2 ASN 88 5.750 -2.383 8.818 643 HD21 ASN 88 HD21 ASN 88 6.440 -1.119 10.402 644 HD22 ASN 88 HD22 ASN 88 7.895 -1.368 11.324 645 H TYR 89 H TYR 89 6.821 -6.311 10.035 646 HA TYR 89 HA TYR 89 4.098 -6.398 11.044 647 HB2 TYR 89 HB3 TYR 89 6.430 -8.084 11.961 648 HB3 TYR 89 HB2 TYR 89 4.711 -8.447 12.097 649 HD1 TYR 89 HD1 TYR 89 3.646 -8.007 9.463 650 HD2 TYR 89 HD2 TYR 89 7.412 -9.649 10.576 651 HE1 TYR 89 HE1 TYR 89 3.733 -9.232 7.335 652 HE2 TYR 89 HE2 TYR 89 7.511 -10.880 8.450 653 HH TYR 89 HH TYR 89 6.404 -11.454 6.600 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -26.655 9.283 18.118 2 H2 MET 1 H2 MET 1 -27.505 10.361 19.040 3 H3 MET 1 H3 MET 1 -26.664 10.888 17.718 4 HA MET 1 HA MET 1 -25.682 11.300 19.948 5 HB2 MET 1 HB3 MET 1 -25.481 8.327 19.648 6 HB3 MET 1 HB2 MET 1 -24.194 9.194 20.479 7 HG2 MET 1 HG3 MET 1 -27.025 9.668 21.281 8 HG3 MET 1 HG2 MET 1 -26.205 8.197 21.806 9 HE1 MET 1 HE1 MET 1 -25.728 12.476 22.823 10 HE2 MET 1 HE2 MET 1 -27.052 11.550 22.111 11 HE3 MET 1 HE3 MET 1 -26.845 11.589 23.864 12 H ALA 2 H ALA 2 -24.242 12.633 19.067 13 HA ALA 2 HA ALA 2 -22.507 13.434 17.820 14 HB1 ALA 2 HB1 ALA 2 -21.519 11.477 19.349 15 HB2 ALA 2 HB2 ALA 2 -21.504 11.521 19.350 16 HB3 ALA 2 HB3 ALA 2 -20.522 12.366 18.160 17 H GLY 3 H GLY 3 -24.734 12.478 16.331 18 HA2 GLY 3 HA3 GLY 3 -23.399 11.387 13.925 19 HA3 GLY 3 HA2 GLY 3 -25.097 11.138 14.312 20 H SER 4 H SER 4 -23.093 12.762 12.319 21 HA SER 4 HA SER 4 -24.427 15.324 12.294 22 HB2 SER 4 HB3 SER 4 -22.675 14.303 10.073 23 HB3 SER 4 HB2 SER 4 -22.884 15.959 10.648 24 HG SER 4 HG SER 4 -21.750 15.390 12.529 25 H HIS 5 H HIS 5 -25.836 16.105 10.739 26 HA HIS 5 HA HIS 5 -27.273 14.022 9.242 27 HB2 HIS 5 HB3 HIS 5 -29.146 15.552 9.181 28 HB3 HIS 5 HB2 HIS 5 -28.560 15.434 10.838 29 HD1 HIS 5 HD1 HIS 5 -29.018 17.821 8.035 30 HD2 HIS 5 HD2 HIS 5 -27.268 17.770 11.811 31 HE1 HIS 5 HE1 HIS 5 -28.576 20.234 8.611 32 HE2 HIS 5 HE2 HIS 5 -27.505 20.198 10.925 33 H HIS 6 H HIS 6 -25.527 17.035 8.865 34 HA HIS 6 HA HIS 6 -26.236 17.607 6.200 35 HB2 HIS 6 HB3 HIS 6 -24.001 18.376 8.020 36 HB3 HIS 6 HB2 HIS 6 -23.789 18.673 6.295 37 HD1 HIS 6 HD1 HIS 6 -24.545 20.582 9.003 38 HD2 HIS 6 HD2 HIS 6 -26.643 19.887 5.477 39 HE1 HIS 6 HE1 HIS 6 -26.107 22.541 8.745 40 HE2 HIS 6 HE2 HIS 6 -27.388 22.112 6.584 41 H HIS 7 H HIS 7 -24.817 17.448 4.296 42 HA HIS 7 HA HIS 7 -23.055 15.091 4.330 43 HB2 HIS 7 HB3 HIS 7 -24.065 14.460 2.078 44 HB3 HIS 7 HB2 HIS 7 -25.072 14.162 3.494 45 HD1 HIS 7 HD1 HIS 7 -24.715 16.595 0.617 46 HD2 HIS 7 HD2 HIS 7 -27.502 15.432 3.480 47 HE1 HIS 7 HE1 HIS 7 -26.861 17.752 -0.016 48 HE2 HIS 7 HE2 HIS 7 -28.566 17.034 1.738 49 H HIS 8 H HIS 8 -21.438 15.069 2.734 50 HA HIS 8 HA HIS 8 -20.641 17.715 1.865 51 HB2 HIS 8 HB3 HIS 8 -18.983 16.164 2.810 52 HB3 HIS 8 HB2 HIS 8 -19.287 15.031 1.493 53 HD1 HIS 8 HD1 HIS 8 -17.696 15.198 -0.387 54 HD2 HIS 8 HD2 HIS 8 -17.992 18.778 1.714 55 HE1 HIS 8 HE1 HIS 8 -16.021 16.751 -1.452 56 HE2 HIS 8 HE2 HIS 8 -16.208 18.942 -0.164 57 H HIS 9 H HIS 9 -20.170 18.311 -0.288 58 HA HIS 9 HA HIS 9 -22.101 17.566 -2.184 59 HB2 HIS 9 HB3 HIS 9 -19.591 19.180 -2.242 60 HB3 HIS 9 HB2 HIS 9 -20.292 18.689 -3.784 61 HD1 HIS 9 HD1 HIS 9 -21.792 20.128 -0.579 62 HD2 HIS 9 HD2 HIS 9 -21.816 20.710 -4.700 63 HE1 HIS 9 HE1 HIS 9 -23.360 22.057 -0.983 64 HE2 HIS 9 HE2 HIS 9 -23.372 22.410 -3.506 65 H HIS 10 H HIS 10 -22.213 15.997 -3.663 66 HA HIS 10 HA HIS 10 -20.085 14.017 -3.736 67 HB2 HIS 10 HB3 HIS 10 -22.511 13.390 -3.581 68 HB3 HIS 10 HB2 HIS 10 -22.724 14.006 -5.219 69 HD1 HIS 10 HD1 HIS 10 -19.735 11.965 -4.157 70 HD2 HIS 10 HD2 HIS 10 -23.223 11.555 -6.391 71 HE1 HIS 10 HE1 HIS 10 -19.528 9.751 -5.337 72 HE2 HIS 10 HE2 HIS 10 -21.666 9.503 -6.703 73 H GLY 11 H GLY 11 -18.486 14.091 -5.159 74 HA2 GLY 11 HA3 GLY 11 -18.695 14.248 -7.896 75 HA3 GLY 11 HA2 GLY 11 -18.525 15.919 -7.371 76 H SER 12 H SER 12 -17.006 12.719 -7.071 77 HA SER 12 HA SER 12 -14.410 13.843 -7.592 78 HB2 SER 12 HB3 SER 12 -14.530 14.392 -5.233 79 HB3 SER 12 HB2 SER 12 -15.026 12.745 -4.836 80 HG SER 12 HG SER 12 -12.655 13.493 -4.694 81 H MET 13 H MET 13 -12.731 12.185 -7.725 82 HA MET 13 HA MET 13 -13.901 9.547 -8.343 83 HB2 MET 13 HB3 MET 13 -12.867 10.884 -10.226 84 HB3 MET 13 HB2 MET 13 -11.315 10.672 -9.424 85 HG2 MET 13 HG3 MET 13 -11.455 9.025 -11.111 86 HG3 MET 13 HG2 MET 13 -11.681 8.201 -9.569 87 HE1 MET 13 HE1 MET 13 -14.004 5.876 -11.169 88 HE2 MET 13 HE2 MET 13 -12.867 6.539 -12.346 89 HE3 MET 13 HE3 MET 13 -12.348 6.250 -10.681 90 H SER 14 H SER 14 -12.980 7.699 -7.546 91 HA SER 14 HA SER 14 -11.258 8.040 -5.236 92 HB2 SER 14 HB3 SER 14 -13.047 6.507 -4.914 93 HB3 SER 14 HB2 SER 14 -12.698 5.664 -6.426 94 HG SER 14 HG SER 14 -11.933 4.530 -4.572 95 H GLU 15 H GLU 15 -9.165 7.419 -5.037 96 HA GLU 15 HA GLU 15 -7.768 6.759 -7.521 97 HB2 GLU 15 HB3 GLU 15 -6.961 7.861 -4.859 98 HB3 GLU 15 HB2 GLU 15 -5.748 7.053 -5.846 99 HG2 GLU 15 HG3 GLU 15 -6.612 8.640 -7.722 100 HG3 GLU 15 HG2 GLU 15 -7.235 9.586 -6.369 101 H TYR 16 H TYR 16 -6.296 5.026 -7.695 102 HA TYR 16 HA TYR 16 -6.974 2.760 -5.943 103 HB2 TYR 16 HB3 TYR 16 -6.190 1.326 -7.752 104 HB3 TYR 16 HB2 TYR 16 -7.390 2.460 -8.359 105 HD1 TYR 16 HD2 TYR 16 -3.777 1.677 -8.280 106 HD2 TYR 16 HD1 TYR 16 -6.840 4.056 -10.040 107 HE1 TYR 16 HE2 TYR 16 -2.205 2.408 -10.019 108 HE2 TYR 16 HE1 TYR 16 -5.271 4.791 -11.786 109 HH TYR 16 HH TYR 16 -2.072 4.594 -11.586 110 H ILE 17 H ILE 17 -5.192 1.167 -5.562 111 HA ILE 17 HA ILE 17 -2.616 2.563 -5.169 112 HB ILE 17 HB ILE 17 -3.584 2.332 -3.003 113 HG12 ILE 17 HG13 ILE 17 -1.610 0.089 -3.446 114 HG13 ILE 17 HG12 ILE 17 -1.196 1.760 -3.172 115 HG21 ILE 17 HG21 ILE 17 -3.871 -0.456 -2.636 116 HG22 ILE 17 HG22 ILE 17 -5.119 0.784 -2.595 117 HG23 ILE 17 HG23 ILE 17 -4.736 -0.029 -4.109 118 HD11 ILE 17 HD11 ILE 17 -2.519 -0.109 -1.229 119 HD12 ILE 17 HD12 ILE 17 -0.887 0.552 -1.138 120 HD13 ILE 17 HD13 ILE 17 -2.281 1.615 -0.950 121 H ARG 18 H ARG 18 -0.960 1.653 -6.178 122 HA ARG 18 HA ARG 18 -1.140 -1.217 -6.855 123 HB2 ARG 18 HB3 ARG 18 -0.514 1.128 -8.490 124 HB3 ARG 18 HB2 ARG 18 0.683 -0.144 -8.620 125 HG2 ARG 18 HG3 ARG 18 -1.533 -1.618 -8.886 126 HG3 ARG 18 HG2 ARG 18 -2.120 -0.079 -9.524 127 HD2 ARG 18 HD3 ARG 18 0.349 -0.339 -10.710 128 HD3 ARG 18 HD2 ARG 18 -0.242 -2.001 -10.671 129 HE ARG 18 HE ARG 18 -2.316 -0.399 -11.623 130 HH11 ARG 18 HH11 ARG 18 0.892 -1.370 -12.584 131 HH12 ARG 18 HH12 ARG 18 0.562 -1.245 -14.281 132 HH21 ARG 18 HH21 ARG 18 -2.758 -0.230 -13.854 133 HH22 ARG 18 HH22 ARG 18 -1.513 -0.595 -15.002 134 H VAL 19 H VAL 19 0.086 -2.216 -5.374 135 HA VAL 19 HA VAL 19 2.923 -1.546 -5.286 136 HB VAL 19 HB VAL 19 2.907 -1.783 -2.762 137 HG11 VAL 19 HG11 VAL 19 1.416 0.695 -3.305 138 HG12 VAL 19 HG12 VAL 19 3.020 0.461 -2.598 139 HG13 VAL 19 HG13 VAL 19 2.806 0.406 -4.350 140 HG21 VAL 19 HG21 VAL 19 0.838 -1.225 -1.601 141 HG22 VAL 19 HG22 VAL 19 -0.025 -1.163 -3.139 142 HG23 VAL 19 HG23 VAL 19 0.637 -2.693 -2.559 143 H THR 20 H THR 20 4.247 -3.239 -4.430 144 HA THR 20 HA THR 20 2.886 -5.848 -4.195 145 HB THR 20 HB THR 20 3.742 -5.991 -6.372 146 HG1 THR 20 HG1 THR 20 5.192 -7.624 -6.148 147 HG21 THR 20 HG21 THR 20 6.018 -4.391 -5.288 148 HG22 THR 20 HG22 THR 20 5.063 -4.140 -6.749 149 HG23 THR 20 HG23 THR 20 6.283 -5.415 -6.699 150 H GLU 21 H GLU 21 4.003 -7.446 -2.973 151 HA GLU 21 HA GLU 21 5.462 -6.332 -0.756 152 HB2 GLU 21 HB3 GLU 21 3.754 -8.320 -0.816 153 HB3 GLU 21 HB2 GLU 21 5.159 -9.274 -1.217 154 HG2 GLU 21 HG3 GLU 21 5.912 -7.704 0.969 155 HG3 GLU 21 HG2 GLU 21 4.294 -8.279 1.329 156 H ASP 22 H ASP 22 6.198 -8.699 -3.312 157 HA ASP 22 HA ASP 22 9.046 -8.492 -2.623 158 HB2 ASP 22 HB3 ASP 22 7.623 -10.452 -4.438 159 HB3 ASP 22 HB2 ASP 22 9.339 -10.489 -4.035 160 H GLU 23 H GLU 23 10.613 -7.970 -4.163 161 HA GLU 23 HA GLU 23 9.806 -6.041 -6.101 162 HB2 GLU 23 HB3 GLU 23 12.145 -5.806 -6.603 163 HB3 GLU 23 HB2 GLU 23 11.966 -5.977 -4.860 164 HG2 GLU 23 HG3 GLU 23 12.551 -8.375 -5.085 165 HG3 GLU 23 HG2 GLU 23 12.858 -8.098 -6.801 166 H ASN 24 H ASN 24 10.711 -9.429 -6.235 167 HA ASN 24 HA ASN 24 11.003 -9.581 -9.060 168 HB2 ASN 24 HB3 ASN 24 10.696 -11.561 -6.838 169 HB3 ASN 24 HB2 ASN 24 10.472 -12.112 -8.497 170 HD21 ASN 24 HD21 ASN 24 12.217 -11.953 -9.961 171 HD22 ASN 24 HD22 ASN 24 13.854 -11.868 -9.388 172 H ASP 25 H ASP 25 8.280 -9.603 -6.925 173 HA ASP 25 HA ASP 25 6.470 -10.719 -8.903 174 HB2 ASP 25 HB3 ASP 25 6.163 -9.704 -6.089 175 HB3 ASP 25 HB2 ASP 25 4.744 -9.983 -7.100 176 H GLU 26 H GLU 26 4.450 -9.520 -9.463 177 HA GLU 26 HA GLU 26 5.177 -6.840 -10.350 178 HB2 GLU 26 HB3 GLU 26 3.511 -7.034 -11.955 179 HB3 GLU 26 HB2 GLU 26 4.050 -8.698 -11.776 180 HG2 GLU 26 HG3 GLU 26 1.600 -7.461 -10.535 181 HG3 GLU 26 HG2 GLU 26 1.642 -8.603 -11.880 182 HA PRO 27 HA PRO 27 2.792 -4.612 -7.415 183 HB2 PRO 27 HB3 PRO 27 1.910 -2.533 -8.907 184 HB3 PRO 27 HB2 PRO 27 3.587 -2.695 -8.398 185 HG2 PRO 27 HG3 PRO 27 2.340 -3.375 -11.037 186 HG3 PRO 27 HG2 PRO 27 3.881 -2.560 -10.703 187 HD2 PRO 27 HD3 PRO 27 3.729 -5.181 -11.366 188 HD3 PRO 27 HD2 PRO 27 4.979 -4.543 -10.276 189 H ILE 28 H ILE 28 0.968 -5.538 -6.691 190 HA ILE 28 HA ILE 28 -1.227 -6.197 -8.424 191 HB ILE 28 HB ILE 28 -0.810 -7.624 -6.530 192 HG12 ILE 28 HG13 ILE 28 -3.041 -7.669 -5.506 193 HG13 ILE 28 HG12 ILE 28 -3.347 -6.031 -6.073 194 HG21 ILE 28 HG21 ILE 28 -1.119 -5.102 -4.924 195 HG22 ILE 28 HG22 ILE 28 -1.279 -6.701 -4.202 196 HG23 ILE 28 HG23 ILE 28 0.242 -6.227 -4.959 197 HD11 ILE 28 HD11 ILE 28 -4.086 -6.797 -8.011 198 HD12 ILE 28 HD12 ILE 28 -2.586 -7.689 -8.280 199 HD13 ILE 28 HD13 ILE 28 -3.909 -8.438 -7.386 200 H GLU 29 H GLU 29 -3.159 -5.178 -8.683 201 HA GLU 29 HA GLU 29 -3.339 -2.459 -7.577 202 HB2 GLU 29 HB3 GLU 29 -4.989 -2.060 -9.384 203 HB3 GLU 29 HB2 GLU 29 -3.406 -2.539 -9.990 204 HG2 GLU 29 HG3 GLU 29 -4.407 -4.101 -11.192 205 HG3 GLU 29 HG2 GLU 29 -4.817 -4.927 -9.689 206 H ILE 30 H ILE 30 -4.611 -2.186 -5.879 207 HA ILE 30 HA ILE 30 -7.052 -3.840 -5.674 208 HB ILE 30 HB ILE 30 -6.675 -3.264 -3.102 209 HG12 ILE 30 HG13 ILE 30 -3.826 -3.732 -3.882 210 HG13 ILE 30 HG12 ILE 30 -4.452 -2.102 -3.940 211 HG21 ILE 30 HG21 ILE 30 -5.601 -5.506 -4.765 212 HG22 ILE 30 HG22 ILE 30 -5.325 -5.483 -3.023 213 HG23 ILE 30 HG23 ILE 30 -6.973 -5.492 -3.654 214 HD11 ILE 30 HD11 ILE 30 -3.371 -2.484 -1.833 215 HD12 ILE 30 HD12 ILE 30 -5.109 -2.291 -1.576 216 HD13 ILE 30 HD13 ILE 30 -4.382 -3.900 -1.535 217 HA PRO 31 HA PRO 31 -9.425 -0.174 -5.250 218 HB2 PRO 31 HB3 PRO 31 -11.273 -0.892 -3.391 219 HB3 PRO 31 HB2 PRO 31 -11.280 -1.516 -5.048 220 HG2 PRO 31 HG3 PRO 31 -10.244 -2.794 -2.544 221 HG3 PRO 31 HG2 PRO 31 -11.192 -3.515 -3.860 222 HD2 PRO 31 HD3 PRO 31 -8.513 -3.838 -3.649 223 HD3 PRO 31 HD2 PRO 31 -9.346 -3.775 -5.216 224 H SER 32 H SER 32 -9.821 1.647 -3.953 225 HA SER 32 HA SER 32 -8.751 1.609 -1.219 226 HB2 SER 32 HB3 SER 32 -6.888 2.689 -1.853 227 HB3 SER 32 HB2 SER 32 -7.488 2.882 -3.501 228 HG SER 32 HG SER 32 -7.298 4.716 -1.558 229 H GLU 33 H GLU 33 -9.295 3.622 -0.018 230 HA GLU 33 HA GLU 33 -12.058 4.170 -0.230 231 HB2 GLU 33 HB3 GLU 33 -9.811 5.354 1.375 232 HB3 GLU 33 HB2 GLU 33 -11.412 6.082 1.415 233 HG2 GLU 33 HG3 GLU 33 -10.948 3.175 2.006 234 HG3 GLU 33 HG2 GLU 33 -10.861 4.428 3.246 235 H ASP 34 H ASP 34 -12.971 6.414 -0.364 236 HA ASP 34 HA ASP 34 -12.334 7.546 -2.884 237 HB2 ASP 34 HB3 ASP 34 -14.571 7.568 -1.549 238 HB3 ASP 34 HB2 ASP 34 -13.911 9.015 -0.787 239 H ASP 35 H ASP 35 -11.570 8.464 0.434 240 HA ASP 35 HA ASP 35 -10.488 11.010 -0.130 241 HB2 ASP 35 HB3 ASP 35 -9.217 10.576 2.073 242 HB3 ASP 35 HB2 ASP 35 -10.979 10.617 2.127 243 H GLY 36 H GLY 36 -9.306 7.847 -0.707 244 HA2 GLY 36 HA3 GLY 36 -7.438 7.764 -2.317 245 HA3 GLY 36 HA2 GLY 36 -6.645 8.980 -1.339 246 H THR 37 H THR 37 -7.523 7.675 1.173 247 HA THR 37 HA THR 37 -5.239 6.056 1.586 248 HB THR 37 HB THR 37 -6.077 5.640 3.791 249 HG1 THR 37 HG1 THR 37 -8.322 6.391 4.238 250 HG21 THR 37 HG21 THR 37 -6.116 7.796 4.579 251 HG22 THR 37 HG22 THR 37 -7.225 8.351 3.320 252 HG23 THR 37 HG23 THR 37 -5.521 8.081 2.942 253 H VAL 38 H VAL 38 -5.795 3.838 2.894 254 HA VAL 38 HA VAL 38 -7.538 2.224 1.148 255 HB VAL 38 HB VAL 38 -4.712 1.573 1.985 256 HG11 VAL 38 HG11 VAL 38 -5.185 -0.595 0.714 257 HG12 VAL 38 HG12 VAL 38 -5.841 -0.447 2.347 258 HG13 VAL 38 HG13 VAL 38 -6.894 -0.214 0.946 259 HG21 VAL 38 HG21 VAL 38 -5.775 1.343 -0.788 260 HG22 VAL 38 HG22 VAL 38 -5.399 2.945 -0.153 261 HG23 VAL 38 HG23 VAL 38 -4.140 1.713 -0.230 262 H LEU 39 H LEU 39 -8.958 1.043 2.244 263 HA LEU 39 HA LEU 39 -9.106 1.066 5.053 264 HB2 LEU 39 HB3 LEU 39 -10.941 0.645 3.302 265 HB3 LEU 39 HB2 LEU 39 -10.393 -1.031 3.332 266 HG LEU 39 HG LEU 39 -10.875 -1.035 5.803 267 HD11 LEU 39 HD11 LEU 39 -12.590 1.364 5.325 268 HD12 LEU 39 HD12 LEU 39 -10.899 1.573 5.782 269 HD13 LEU 39 HD13 LEU 39 -11.995 0.686 6.844 270 HD21 LEU 39 HD21 LEU 39 -13.463 -0.405 4.552 271 HD22 LEU 39 HD22 LEU 39 -12.920 -1.869 5.373 272 HD23 LEU 39 HD23 LEU 39 -12.477 -1.585 3.688 273 H LEU 40 H LEU 40 -8.623 -0.441 6.615 274 HA LEU 40 HA LEU 40 -6.343 -2.029 6.247 275 HB2 LEU 40 HB3 LEU 40 -7.099 -1.150 8.416 276 HB3 LEU 40 HB2 LEU 40 -8.465 -2.259 8.381 277 HG LEU 40 HG LEU 40 -6.403 -2.840 9.828 278 HD11 LEU 40 HD11 LEU 40 -6.730 -5.283 8.484 279 HD12 LEU 40 HD12 LEU 40 -8.263 -4.422 8.330 280 HD13 LEU 40 HD13 LEU 40 -7.573 -4.719 9.926 281 HD21 LEU 40 HD21 LEU 40 -5.332 -4.147 7.385 282 HD22 LEU 40 HD22 LEU 40 -4.502 -3.632 8.853 283 HD23 LEU 40 HD23 LEU 40 -4.964 -2.440 7.636 284 H SER 41 H SER 41 -9.681 -2.692 5.678 285 HA SER 41 HA SER 41 -9.584 -5.526 5.840 286 HB2 SER 41 HB3 SER 41 -11.452 -3.586 4.484 287 HB3 SER 41 HB2 SER 41 -11.658 -5.332 4.318 288 HG SER 41 HG SER 41 -11.446 -4.049 6.837 289 H THR 42 H THR 42 -9.255 -3.255 3.131 290 HA THR 42 HA THR 42 -8.898 -5.264 1.148 291 HB THR 42 HB THR 42 -7.869 -2.433 0.963 292 HG1 THR 42 HG1 THR 42 -9.988 -2.178 1.537 293 HG21 THR 42 HG21 THR 42 -7.206 -3.884 -0.865 294 HG22 THR 42 HG22 THR 42 -8.422 -2.738 -1.429 295 HG23 THR 42 HG23 THR 42 -8.877 -4.409 -1.090 296 H VAL 43 H VAL 43 -6.742 -3.600 3.336 297 HA VAL 43 HA VAL 43 -4.300 -4.204 2.022 298 HB VAL 43 HB VAL 43 -4.974 -3.533 4.883 299 HG11 VAL 43 HG11 VAL 43 -2.354 -4.399 3.721 300 HG12 VAL 43 HG12 VAL 43 -2.405 -3.248 5.058 301 HG13 VAL 43 HG13 VAL 43 -3.107 -4.857 5.252 302 HG21 VAL 43 HG21 VAL 43 -3.106 -1.792 3.578 303 HG22 VAL 43 HG22 VAL 43 -4.523 -2.020 2.550 304 HG23 VAL 43 HG23 VAL 43 -4.719 -1.433 4.203 305 H THR 44 H THR 44 -6.297 -5.969 4.317 306 HA THR 44 HA THR 44 -4.329 -8.046 4.719 307 HB THR 44 HB THR 44 -5.952 -9.134 6.101 308 HG1 THR 44 HG1 THR 44 -7.981 -9.050 5.536 309 HG21 THR 44 HG21 THR 44 -6.894 -6.564 6.964 310 HG22 THR 44 HG22 THR 44 -5.200 -6.447 6.478 311 HG23 THR 44 HG23 THR 44 -5.690 -7.614 7.710 312 H ALA 45 H ALA 45 -6.646 -7.322 2.348 313 HA ALA 45 HA ALA 45 -7.472 -9.914 1.585 314 HB1 ALA 45 HB1 ALA 45 -8.442 -7.640 0.885 315 HB2 ALA 45 HB2 ALA 45 -8.463 -7.678 0.884 316 HB3 ALA 45 HB3 ALA 45 -8.346 -8.923 -0.355 317 H GLN 46 H GLN 46 -4.780 -7.864 0.497 318 HA GLN 46 HA GLN 46 -3.667 -10.210 -0.906 319 HB2 GLN 46 HB3 GLN 46 -3.322 -7.256 -1.432 320 HB3 GLN 46 HB2 GLN 46 -2.326 -8.489 -2.181 321 HG2 GLN 46 HG3 GLN 46 -5.323 -8.346 -2.418 322 HG3 GLN 46 HG2 GLN 46 -4.192 -7.688 -3.601 323 HE21 GLN 46 HE21 GLN 46 -6.153 -10.194 -3.043 324 HE22 GLN 46 HE22 GLN 46 -5.334 -11.443 -3.926 325 H PHE 47 H PHE 47 -3.172 -7.854 1.565 326 HA PHE 47 HA PHE 47 -0.502 -9.007 2.084 327 HB2 PHE 47 HB3 PHE 47 -1.142 -6.197 2.890 328 HB3 PHE 47 HB2 PHE 47 0.407 -6.932 2.590 329 HD1 PHE 47 HD1 PHE 47 0.282 -8.036 -0.026 330 HD2 PHE 47 HD2 PHE 47 -1.502 -4.456 1.439 331 HE1 PHE 47 HE1 PHE 47 0.279 -7.114 -2.301 332 HE2 PHE 47 HE2 PHE 47 -1.510 -3.526 -0.839 333 HZ PHE 47 HZ PHE 47 -0.627 -4.852 -2.716 334 HA PRO 48 HA PRO 48 -3.269 -9.697 5.734 335 HB2 PRO 48 HB3 PRO 48 -2.416 -12.240 6.178 336 HB3 PRO 48 HB2 PRO 48 -3.718 -11.842 5.050 337 HG2 PRO 48 HG3 PRO 48 -0.830 -12.412 4.489 338 HG3 PRO 48 HG2 PRO 48 -2.269 -12.972 3.623 339 HD2 PRO 48 HD3 PRO 48 -0.750 -10.917 2.736 340 HD3 PRO 48 HD2 PRO 48 -2.504 -10.992 2.461 341 H GLY 49 H GLY 49 -2.641 -9.189 7.746 342 HA2 GLY 49 HA3 GLY 49 -1.301 -9.047 9.626 343 HA3 GLY 49 HA2 GLY 49 -0.127 -10.077 8.839 344 H ALA 50 H ALA 50 -0.923 -7.540 6.815 345 HA ALA 50 HA ALA 50 1.636 -6.258 7.325 346 HB1 ALA 50 HB1 ALA 50 1.076 -4.936 5.281 347 HB2 ALA 50 HB2 ALA 50 1.034 -4.922 5.290 348 HB3 ALA 50 HB3 ALA 50 -0.444 -5.868 5.180 349 H CYS 51 H CYS 51 1.772 -4.741 8.831 350 HA CYS 51 HA CYS 51 -0.563 -3.045 9.379 351 HB2 CYS 51 HB3 CYS 51 0.841 -4.328 11.175 352 HB3 CYS 51 HB2 CYS 51 1.965 -2.991 10.991 353 HG CYS 51 HG CYS 51 0.278 -1.039 11.886 354 H GLY 52 H GLY 52 2.963 -2.720 8.918 355 HA2 GLY 52 HA3 GLY 52 2.463 0.027 7.959 356 HA3 GLY 52 HA2 GLY 52 3.903 -0.441 8.809 357 H LEU 53 H LEU 53 3.146 0.620 5.988 358 HA LEU 53 HA LEU 53 4.878 -1.274 4.531 359 HB2 LEU 53 HB3 LEU 53 2.701 0.388 3.284 360 HB3 LEU 53 HB2 LEU 53 3.650 -0.883 2.527 361 HG LEU 53 HG LEU 53 1.414 -1.153 4.510 362 HD11 LEU 53 HD11 LEU 53 1.869 -1.769 1.662 363 HD12 LEU 53 HD12 LEU 53 0.392 -1.284 2.502 364 HD13 LEU 53 HD13 LEU 53 0.953 -2.958 2.591 365 HD21 LEU 53 HD21 LEU 53 2.586 -2.812 5.461 366 HD22 LEU 53 HD22 LEU 53 3.739 -2.895 4.129 367 HD23 LEU 53 HD23 LEU 53 2.181 -3.709 3.999 368 H ARG 54 H ARG 54 6.507 -0.435 3.308 369 HA ARG 54 HA ARG 54 6.929 2.472 3.561 370 HB2 ARG 54 HB3 ARG 54 8.590 0.564 4.400 371 HB3 ARG 54 HB2 ARG 54 9.134 0.646 2.732 372 HG2 ARG 54 HG3 ARG 54 9.816 2.880 2.948 373 HG3 ARG 54 HG2 ARG 54 8.908 3.099 4.448 374 HD2 ARG 54 HD3 ARG 54 11.096 1.061 4.298 375 HD3 ARG 54 HD2 ARG 54 11.493 2.768 4.522 376 HE ARG 54 HE ARG 54 9.544 2.148 6.400 377 HH11 ARG 54 HH11 ARG 54 12.801 1.166 5.636 378 HH12 ARG 54 HH12 ARG 54 13.208 0.779 7.278 379 HH21 ARG 54 HH21 ARG 54 10.069 1.642 8.560 380 HH22 ARG 54 HH22 ARG 54 11.653 1.048 8.939 381 H TYR 55 H TYR 55 8.349 3.370 1.725 382 HA TYR 55 HA TYR 55 7.179 2.454 -0.824 383 HB2 TYR 55 HB3 TYR 55 7.928 5.145 0.227 384 HB3 TYR 55 HB2 TYR 55 7.989 4.877 -1.496 385 HD1 TYR 55 HD1 TYR 55 5.708 3.264 -2.110 386 HD2 TYR 55 HD2 TYR 55 6.052 6.383 0.762 387 HE1 TYR 55 HE1 TYR 55 3.285 3.662 -2.259 388 HE2 TYR 55 HE2 TYR 55 3.633 6.788 0.622 389 HH TYR 55 HH TYR 55 1.758 5.937 -1.727 390 H ARG 56 H ARG 56 8.474 1.605 -2.303 391 HA ARG 56 HA ARG 56 11.351 2.243 -2.203 392 HB2 ARG 56 HB3 ARG 56 11.169 0.055 -1.252 393 HB3 ARG 56 HB2 ARG 56 10.060 -0.467 -2.514 394 HG2 ARG 56 HG3 ARG 56 12.283 -1.406 -2.835 395 HG3 ARG 56 HG2 ARG 56 11.842 -0.333 -4.165 396 HD2 ARG 56 HD3 ARG 56 13.141 1.476 -3.089 397 HD3 ARG 56 HD2 ARG 56 13.635 0.336 -1.832 398 HE ARG 56 HE ARG 56 14.257 -0.619 -4.452 399 HH11 ARG 56 HH11 ARG 56 15.308 1.548 -1.930 400 HH12 ARG 56 HH12 ARG 56 16.975 1.499 -2.403 401 HH21 ARG 56 HH21 ARG 56 16.450 -0.692 -5.078 402 HH22 ARG 56 HH22 ARG 56 17.623 0.226 -4.193 403 H ASN 57 H ASN 57 11.457 3.567 -3.943 404 HA ASN 57 HA ASN 57 10.861 2.348 -6.544 405 HB2 ASN 57 HB3 ASN 57 9.129 4.148 -5.548 406 HB3 ASN 57 HB2 ASN 57 10.264 5.242 -6.307 407 HD21 ASN 57 HD21 ASN 57 8.320 5.730 -7.600 408 HD22 ASN 57 HD22 ASN 57 8.017 4.759 -9.007 409 HA PRO 58 HA PRO 58 15.028 3.827 -7.094 410 HB2 PRO 58 HB3 PRO 58 15.332 2.840 -9.607 411 HB3 PRO 58 HB2 PRO 58 15.431 1.835 -8.164 412 HG2 PRO 58 HG3 PRO 58 13.139 2.220 -10.043 413 HG3 PRO 58 HG2 PRO 58 13.746 0.720 -9.312 414 HD2 PRO 58 HD3 PRO 58 11.576 2.026 -8.358 415 HD3 PRO 58 HD2 PRO 58 12.663 1.122 -7.310 416 H VAL 59 H VAL 59 12.267 4.503 -9.104 417 HA VAL 59 HA VAL 59 13.650 6.521 -10.664 418 HB VAL 59 HB VAL 59 11.491 6.924 -11.734 419 HG11 VAL 59 HG11 VAL 59 11.074 4.546 -12.548 420 HG12 VAL 59 HG12 VAL 59 12.713 5.180 -12.734 421 HG13 VAL 59 HG13 VAL 59 12.344 4.054 -11.423 422 HG21 VAL 59 HG21 VAL 59 10.026 6.672 -9.823 423 HG22 VAL 59 HG22 VAL 59 9.523 5.569 -11.105 424 HG23 VAL 59 HG23 VAL 59 10.420 4.951 -9.713 425 H SER 60 H SER 60 11.515 6.339 -7.898 426 HA SER 60 HA SER 60 10.932 9.149 -7.827 427 HB2 SER 60 HB3 SER 60 10.639 7.088 -5.631 428 HB3 SER 60 HB2 SER 60 9.884 8.682 -5.677 429 HG SER 60 HG SER 60 8.453 7.985 -7.089 430 H GLN 61 H GLN 61 13.402 7.065 -6.535 431 HA GLN 61 HA GLN 61 15.311 7.475 -5.361 432 HB2 GLN 61 HB3 GLN 61 14.851 10.348 -6.194 433 HB3 GLN 61 HB2 GLN 61 16.367 9.659 -5.626 434 HG2 GLN 61 HG3 GLN 61 14.943 8.727 -8.107 435 HG3 GLN 61 HG2 GLN 61 16.189 9.976 -8.100 436 HE21 GLN 61 HE21 GLN 61 16.712 7.933 -9.652 437 HE22 GLN 61 HE22 GLN 61 17.887 6.862 -8.956 438 H CYS 62 H CYS 62 12.566 7.853 -4.141 439 HA CYS 62 HA CYS 62 13.266 9.633 -1.906 440 HB2 CYS 62 HB3 CYS 62 10.631 8.465 -2.812 441 HB3 CYS 62 HB2 CYS 62 10.826 9.336 -1.294 442 HG CYS 62 HG CYS 62 11.833 10.892 -4.128 443 H MET 63 H MET 63 12.647 8.905 0.289 444 HA MET 63 HA MET 63 12.903 5.982 0.601 445 HB2 MET 63 HB3 MET 63 14.375 8.147 2.107 446 HB3 MET 63 HB2 MET 63 14.290 6.477 2.656 447 HG2 MET 63 HG3 MET 63 15.581 5.696 0.890 448 HG3 MET 63 HG2 MET 63 15.294 7.140 -0.082 449 HE1 MET 63 HE1 MET 63 17.655 9.775 1.368 450 HE2 MET 63 HE2 MET 63 16.529 9.318 0.087 451 HE3 MET 63 HE3 MET 63 15.935 9.604 1.727 452 H ARG 64 H ARG 64 10.607 7.893 0.706 453 HA ARG 64 HA ARG 64 9.840 8.045 3.475 454 HB2 ARG 64 HB3 ARG 64 7.703 8.891 2.612 455 HB3 ARG 64 HB2 ARG 64 9.068 9.731 1.888 456 HG2 ARG 64 HG3 ARG 64 8.620 8.965 -0.180 457 HG3 ARG 64 HG2 ARG 64 8.076 7.390 0.403 458 HD2 ARG 64 HD3 ARG 64 6.144 8.397 -0.465 459 HD3 ARG 64 HD2 ARG 64 6.013 8.616 1.280 460 HE ARG 64 HE ARG 64 6.061 10.869 0.939 461 HH11 ARG 64 HH11 ARG 64 7.483 9.296 -1.828 462 HH12 ARG 64 HH12 ARG 64 7.675 10.766 -2.728 463 HH21 ARG 64 HH21 ARG 64 6.309 12.806 -0.236 464 HH22 ARG 64 HH22 ARG 64 7.008 12.762 -1.822 465 H GLY 65 H GLY 65 7.333 7.279 3.758 466 HA2 GLY 65 HA3 GLY 65 6.951 4.591 2.698 467 HA3 GLY 65 HA2 GLY 65 7.259 4.689 4.427 468 H VAL 66 H VAL 66 4.887 3.688 3.148 469 HA VAL 66 HA VAL 66 2.782 5.561 3.137 470 HB VAL 66 HB VAL 66 2.669 2.595 3.716 471 HG11 VAL 66 HG11 VAL 66 0.316 2.768 3.033 472 HG12 VAL 66 HG12 VAL 66 0.656 3.713 4.483 473 HG13 VAL 66 HG13 VAL 66 0.487 4.520 2.923 474 HG21 VAL 66 HG21 VAL 66 3.660 3.447 1.498 475 HG22 VAL 66 HG22 VAL 66 2.386 2.227 1.427 476 HG23 VAL 66 HG23 VAL 66 2.007 3.924 1.111 477 H ARG 67 H ARG 67 1.280 6.157 4.676 478 HA ARG 67 HA ARG 67 2.165 5.826 7.448 479 HB2 ARG 67 HB3 ARG 67 1.785 8.104 6.784 480 HB3 ARG 67 HB2 ARG 67 0.191 7.709 6.151 481 HG2 ARG 67 HG3 ARG 67 -0.061 8.843 8.245 482 HG3 ARG 67 HG2 ARG 67 -0.538 7.155 8.452 483 HD2 ARG 67 HD3 ARG 67 2.016 6.910 9.133 484 HD3 ARG 67 HD2 ARG 67 1.818 8.621 9.522 485 HE ARG 67 HE ARG 67 -0.232 6.910 10.620 486 HH11 ARG 67 HH11 ARG 67 2.919 8.318 11.106 487 HH12 ARG 67 HH12 ARG 67 2.854 8.189 12.835 488 HH21 ARG 67 HH21 ARG 67 -0.329 6.736 12.890 489 HH22 ARG 67 HH22 ARG 67 1.007 7.289 13.848 490 H LEU 68 H LEU 68 0.975 4.851 9.018 491 HA LEU 68 HA LEU 68 -1.524 3.544 8.145 492 HB2 LEU 68 HB3 LEU 68 0.249 1.944 8.569 493 HB3 LEU 68 HB2 LEU 68 0.531 2.640 10.162 494 HG LEU 68 HG LEU 68 -0.778 0.415 9.947 495 HD11 LEU 68 HD11 LEU 68 -1.275 0.800 12.079 496 HD12 LEU 68 HD12 LEU 68 -2.425 2.070 11.656 497 HD13 LEU 68 HD13 LEU 68 -0.712 2.454 11.834 498 HD21 LEU 68 HD21 LEU 68 -2.354 1.729 8.257 499 HD22 LEU 68 HD22 LEU 68 -3.198 2.129 9.750 500 HD23 LEU 68 HD23 LEU 68 -2.961 0.441 9.294 501 H VAL 69 H VAL 69 -3.311 4.236 9.097 502 HA VAL 69 HA VAL 69 -3.193 5.124 11.896 503 HB VAL 69 HB VAL 69 -3.076 7.184 10.641 504 HG11 VAL 69 HG11 VAL 69 -4.613 7.817 8.944 505 HG12 VAL 69 HG12 VAL 69 -4.056 6.192 8.539 506 HG13 VAL 69 HG13 VAL 69 -5.648 6.425 9.265 507 HG21 VAL 69 HG21 VAL 69 -4.668 6.856 12.659 508 HG22 VAL 69 HG22 VAL 69 -4.802 8.329 11.694 509 HG23 VAL 69 HG23 VAL 69 -5.954 7.014 11.458 510 H GLU 70 H GLU 70 -4.642 4.030 13.028 511 HA GLU 70 HA GLU 70 -6.467 2.780 13.583 512 HB2 GLU 70 HB3 GLU 70 -7.853 4.452 11.476 513 HB3 GLU 70 HB2 GLU 70 -8.628 3.569 12.784 514 HG2 GLU 70 HG3 GLU 70 -6.704 5.853 13.161 515 HG3 GLU 70 HG2 GLU 70 -8.462 5.996 13.192 516 H GLY 71 H GLY 71 -4.721 1.920 11.326 517 HA2 GLY 71 HA3 GLY 71 -4.764 -0.192 10.271 518 HA3 GLY 71 HA2 GLY 71 -6.522 -0.163 10.329 519 H ILE 72 H ILE 72 -6.425 2.670 9.255 520 HA ILE 72 HA ILE 72 -6.523 1.906 6.467 521 HB ILE 72 HB ILE 72 -6.981 4.608 7.741 522 HG12 ILE 72 HG13 ILE 72 -9.426 3.823 7.008 523 HG13 ILE 72 HG12 ILE 72 -8.723 2.235 7.256 524 HG21 ILE 72 HG21 ILE 72 -6.857 3.719 4.981 525 HG22 ILE 72 HG22 ILE 72 -8.398 4.480 5.372 526 HG23 ILE 72 HG23 ILE 72 -6.886 5.354 5.643 527 HD11 ILE 72 HD11 ILE 72 -8.077 3.948 9.460 528 HD12 ILE 72 HD12 ILE 72 -9.817 3.945 9.174 529 HD13 ILE 72 HD13 ILE 72 -8.966 2.424 9.443 530 H LEU 73 H LEU 73 -4.801 1.922 5.198 531 HA LEU 73 HA LEU 73 -2.402 3.344 5.936 532 HB2 LEU 73 HB3 LEU 73 -3.177 1.553 3.657 533 HB3 LEU 73 HB2 LEU 73 -1.670 2.443 3.626 534 HG LEU 73 HG LEU 73 -1.266 0.186 4.367 535 HD11 LEU 73 HD11 LEU 73 -1.102 2.049 6.731 536 HD12 LEU 73 HD12 LEU 73 0.036 2.030 5.387 537 HD13 LEU 73 HD13 LEU 73 -0.111 0.619 6.435 538 HD21 LEU 73 HD21 LEU 73 -2.322 -0.817 6.232 539 HD22 LEU 73 HD22 LEU 73 -3.614 -0.131 5.245 540 HD23 LEU 73 HD23 LEU 73 -3.088 0.698 6.706 541 H HIS 74 H HIS 74 -2.543 5.508 5.753 542 HA HIS 74 HA HIS 74 -3.921 6.787 3.578 543 HB2 HIS 74 HB3 HIS 74 -3.451 7.630 6.029 544 HB3 HIS 74 HB2 HIS 74 -1.966 8.236 5.312 545 HD1 HIS 74 HD1 HIS 74 -2.796 9.440 2.734 546 HD2 HIS 74 HD2 HIS 74 -5.144 9.724 6.158 547 HE1 HIS 74 HE1 HIS 74 -4.285 11.438 2.371 548 HE2 HIS 74 HE2 HIS 74 -5.720 11.609 4.470 549 H ALA 75 H ALA 75 -3.084 7.814 1.801 550 HA ALA 75 HA ALA 75 -0.393 6.985 1.023 551 HB1 ALA 75 HB1 ALA 75 -1.328 8.298 -1.147 552 HB2 ALA 75 HB2 ALA 75 -1.358 8.323 -1.127 553 HB3 ALA 75 HB3 ALA 75 -2.851 7.756 -0.386 554 HA PRO 76 HA PRO 76 1.570 10.877 1.530 555 HB2 PRO 76 HB3 PRO 76 3.183 10.991 -0.653 556 HB3 PRO 76 HB2 PRO 76 3.483 9.904 0.710 557 HG2 PRO 76 HG3 PRO 76 2.212 9.320 -1.933 558 HG3 PRO 76 HG2 PRO 76 3.391 8.366 -1.033 559 HD2 PRO 76 HD3 PRO 76 0.751 7.778 -1.026 560 HD3 PRO 76 HD2 PRO 76 1.792 7.474 0.373 561 H ASP 77 H ASP 77 2.345 12.833 -0.016 562 HA ASP 77 HA ASP 77 -0.118 13.969 -0.999 563 HB2 ASP 77 HB3 ASP 77 2.653 14.954 -0.492 564 HB3 ASP 77 HB2 ASP 77 1.659 15.858 -1.633 565 H ALA 78 H ALA 78 2.011 11.893 -2.358 566 HA ALA 78 HA ALA 78 1.761 13.061 -5.052 567 HB1 ALA 78 HB1 ALA 78 3.973 11.970 -3.755 568 HB2 ALA 78 HB2 ALA 78 3.975 12.008 -3.776 569 HB3 ALA 78 HB3 ALA 78 3.816 12.325 -5.500 570 H GLY 79 H GLY 79 0.976 10.300 -3.059 571 HA2 GLY 79 HA3 GLY 79 -1.156 9.210 -3.753 572 HA3 GLY 79 HA2 GLY 79 -0.459 9.126 -5.356 573 H TRP 80 H TRP 80 -1.021 6.814 -5.086 574 HA TRP 80 HA TRP 80 0.664 5.296 -3.271 575 HB2 TRP 80 HB3 TRP 80 -1.431 4.485 -5.291 576 HB3 TRP 80 HB2 TRP 80 -0.483 3.323 -4.384 577 HD1 TRP 80 HD1 TRP 80 -3.640 5.194 -4.210 578 HE1 TRP 80 HE1 TRP 80 -4.665 5.067 -1.848 579 HE3 TRP 80 HE3 TRP 80 0.407 3.369 -1.683 580 HZ2 TRP 80 HZ2 TRP 80 -3.851 4.285 0.739 581 HZ3 TRP 80 HZ3 TRP 80 0.201 2.956 0.731 582 HH2 TRP 80 HH2 TRP 80 -1.882 3.406 1.916 583 H GLY 81 H GLY 81 0.110 5.242 -6.805 584 HA2 GLY 81 HA3 GLY 81 1.763 5.212 -8.471 585 HA3 GLY 81 HA2 GLY 81 2.984 4.959 -7.231 586 H ASN 82 H ASN 82 3.797 3.372 -8.808 587 HA ASN 82 HA ASN 82 2.440 0.780 -8.436 588 HB2 ASN 82 HB3 ASN 82 3.546 0.242 -10.748 589 HB3 ASN 82 HB2 ASN 82 2.023 1.125 -10.692 590 HD21 ASN 82 HD21 ASN 82 1.920 3.152 -11.478 591 HD22 ASN 82 HD22 ASN 82 3.267 3.998 -12.173 592 H LEU 83 H LEU 83 4.457 1.828 -6.774 593 HA LEU 83 HA LEU 83 6.908 0.431 -7.571 594 HB2 LEU 83 HB3 LEU 83 7.783 1.470 -5.428 595 HB3 LEU 83 HB2 LEU 83 7.385 2.565 -6.746 596 HG LEU 83 HG LEU 83 6.729 3.211 -4.337 597 HD11 LEU 83 HD11 LEU 83 5.484 4.733 -5.366 598 HD12 LEU 83 HD12 LEU 83 4.273 3.529 -5.811 599 HD13 LEU 83 HD13 LEU 83 5.672 3.796 -6.850 600 HD21 LEU 83 HD21 LEU 83 4.433 1.369 -4.982 601 HD22 LEU 83 HD22 LEU 83 4.620 2.372 -3.547 602 HD23 LEU 83 HD23 LEU 83 5.706 1.008 -3.815 603 H VAL 84 H VAL 84 8.032 -0.434 -5.342 604 HA VAL 84 HA VAL 84 6.218 -2.574 -4.473 605 HB VAL 84 HB VAL 84 9.214 -2.372 -4.098 606 HG11 VAL 84 HG11 VAL 84 9.150 -4.656 -3.454 607 HG12 VAL 84 HG12 VAL 84 7.906 -3.831 -2.512 608 HG13 VAL 84 HG13 VAL 84 7.453 -4.808 -3.910 609 HG21 VAL 84 HG21 VAL 84 8.613 -4.408 -5.914 610 HG22 VAL 84 HG22 VAL 84 7.639 -3.028 -6.426 611 HG23 VAL 84 HG23 VAL 84 9.389 -2.862 -6.263 612 H TYR 85 H TYR 85 5.612 -2.868 -2.394 613 HA TYR 85 HA TYR 85 6.414 -0.785 -0.482 614 HB2 TYR 85 HB3 TYR 85 4.356 -1.028 0.544 615 HB3 TYR 85 HB2 TYR 85 3.940 -1.354 -1.110 616 HD1 TYR 85 HD2 TYR 85 3.498 -3.673 -1.854 617 HD2 TYR 85 HD1 TYR 85 4.224 -2.743 2.230 618 HE1 TYR 85 HE2 TYR 85 2.565 -5.852 -1.197 619 HE2 TYR 85 HE1 TYR 85 3.291 -4.914 2.898 620 HH TYR 85 HH TYR 85 2.390 -6.823 2.217 621 H VAL 86 H VAL 86 7.272 -1.254 1.500 622 HA VAL 86 HA VAL 86 8.320 -3.975 1.811 623 HB VAL 86 HB VAL 86 9.025 -1.468 3.346 624 HG11 VAL 86 HG11 VAL 86 10.066 -2.828 4.758 625 HG12 VAL 86 HG12 VAL 86 9.608 -4.240 3.797 626 HG13 VAL 86 HG13 VAL 86 11.097 -3.367 3.429 627 HG21 VAL 86 HG21 VAL 86 11.153 -1.630 2.001 628 HG22 VAL 86 HG22 VAL 86 10.319 -2.799 0.973 629 HG23 VAL 86 HG23 VAL 86 9.716 -1.144 1.098 630 H VAL 87 H VAL 87 7.177 -5.348 2.996 631 HA VAL 87 HA VAL 87 5.062 -4.636 4.707 632 HB VAL 87 HB VAL 87 5.303 -6.995 5.595 633 HG11 VAL 87 HG11 VAL 87 3.763 -6.648 3.843 634 HG12 VAL 87 HG12 VAL 87 5.051 -6.431 2.651 635 HG13 VAL 87 HG13 VAL 87 4.746 -8.026 3.344 636 HG21 VAL 87 HG21 VAL 87 6.965 -8.405 4.907 637 HG22 VAL 87 HG22 VAL 87 7.232 -7.535 3.393 638 HG23 VAL 87 HG23 VAL 87 7.857 -6.884 4.909 639 H ASN 88 H ASN 88 4.877 -4.414 6.905 640 HA ASN 88 HA ASN 88 7.272 -4.695 8.560 641 HB2 ASN 88 HB3 ASN 88 7.055 -2.301 7.619 642 HB3 ASN 88 HB2 ASN 88 5.675 -2.144 8.701 643 HD21 ASN 88 HD21 ASN 88 7.014 -0.408 9.591 644 HD22 ASN 88 HD22 ASN 88 8.187 -0.815 10.809 645 H TYR 89 H TYR 89 6.593 -6.055 10.079 646 HA TYR 89 HA TYR 89 3.835 -6.068 10.964 647 HB2 TYR 89 HB3 TYR 89 6.113 -7.688 12.107 648 HB3 TYR 89 HB2 TYR 89 4.389 -8.050 12.167 649 HD1 TYR 89 HD2 TYR 89 3.294 -8.132 9.678 650 HD2 TYR 89 HD1 TYR 89 7.356 -8.960 10.649 651 HE1 TYR 89 HE2 TYR 89 3.501 -9.480 7.634 652 HE2 TYR 89 HE1 TYR 89 7.576 -10.309 8.605 653 HH TYR 89 HH TYR 89 4.946 -10.527 6.253 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -19.377 16.124 -34.863 2 H2 MET 1 H2 MET 1 -20.510 16.744 -33.829 3 H3 MET 1 H3 MET 1 -18.977 16.441 -33.290 4 HA MET 1 HA MET 1 -20.881 14.846 -32.779 5 HB2 MET 1 HB3 MET 1 -19.979 14.109 -35.567 6 HB3 MET 1 HB2 MET 1 -20.809 12.986 -34.493 7 HG2 MET 1 HG3 MET 1 -22.739 14.468 -34.415 8 HG3 MET 1 HG2 MET 1 -21.907 15.620 -35.457 9 HE1 MET 1 HE1 MET 1 -22.232 15.910 -37.473 10 HE2 MET 1 HE2 MET 1 -21.533 14.683 -38.531 11 HE3 MET 1 HE3 MET 1 -23.270 15.000 -38.572 12 H ALA 2 H ALA 2 -19.626 14.261 -31.101 13 HA ALA 2 HA ALA 2 -17.000 13.057 -31.654 14 HB1 ALA 2 HB1 ALA 2 -16.508 13.406 -29.292 15 HB2 ALA 2 HB2 ALA 2 -16.545 13.384 -29.271 16 HB3 ALA 2 HB3 ALA 2 -18.167 14.027 -29.045 17 H GLY 3 H GLY 3 -19.640 12.514 -29.300 18 HA2 GLY 3 HA3 GLY 3 -20.708 10.202 -29.676 19 HA3 GLY 3 HA2 GLY 3 -19.058 9.624 -29.483 20 H SER 4 H SER 4 -18.577 11.795 -27.447 21 HA SER 4 HA SER 4 -20.256 10.858 -25.235 22 HB2 SER 4 HB3 SER 4 -18.303 10.385 -23.824 23 HB3 SER 4 HB2 SER 4 -18.303 9.356 -25.259 24 HG SER 4 HG SER 4 -16.385 10.960 -24.439 25 H HIS 5 H HIS 5 -20.249 12.234 -23.402 26 HA HIS 5 HA HIS 5 -19.159 14.926 -23.950 27 HB2 HIS 5 HB3 HIS 5 -21.687 14.660 -24.016 28 HB3 HIS 5 HB2 HIS 5 -21.610 14.334 -22.286 29 HD1 HIS 5 HD1 HIS 5 -22.972 16.469 -21.759 30 HD2 HIS 5 HD2 HIS 5 -19.370 17.180 -23.717 31 HE1 HIS 5 HE1 HIS 5 -22.568 18.948 -21.558 32 HE2 HIS 5 HE2 HIS 5 -20.361 19.378 -22.760 33 H HIS 6 H HIS 6 -18.093 15.994 -22.340 34 HA HIS 6 HA HIS 6 -17.146 14.371 -20.137 35 HB2 HIS 6 HB3 HIS 6 -15.863 16.158 -21.616 36 HB3 HIS 6 HB2 HIS 6 -16.469 17.273 -20.392 37 HD1 HIS 6 HD1 HIS 6 -14.177 14.316 -20.812 38 HD2 HIS 6 HD2 HIS 6 -15.191 17.149 -17.938 39 HE1 HIS 6 HE1 HIS 6 -12.468 14.064 -18.978 40 HE2 HIS 6 HE2 HIS 6 -13.093 15.802 -17.222 41 H HIS 7 H HIS 7 -17.084 15.225 -17.912 42 HA HIS 7 HA HIS 7 -19.722 16.177 -17.158 43 HB2 HIS 7 HB3 HIS 7 -17.347 15.286 -15.507 44 HB3 HIS 7 HB2 HIS 7 -18.900 15.767 -14.829 45 HD1 HIS 7 HD1 HIS 7 -20.127 13.749 -14.130 46 HD2 HIS 7 HD2 HIS 7 -18.052 13.139 -17.685 47 HE1 HIS 7 HE1 HIS 7 -20.678 11.396 -14.843 48 HE2 HIS 7 HE2 HIS 7 -19.407 11.028 -17.020 49 H HIS 8 H HIS 8 -20.222 18.130 -16.316 50 HA HIS 8 HA HIS 8 -18.506 20.324 -16.798 51 HB2 HIS 8 HB3 HIS 8 -21.117 19.996 -15.342 52 HB3 HIS 8 HB2 HIS 8 -20.265 21.538 -15.315 53 HD1 HIS 8 HD1 HIS 8 -23.023 20.391 -16.884 54 HD2 HIS 8 HD2 HIS 8 -19.434 21.828 -18.424 55 HE1 HIS 8 HE1 HIS 8 -23.548 21.158 -19.225 56 HE2 HIS 8 HE2 HIS 8 -21.348 22.038 -20.163 57 H HIS 9 H HIS 9 -19.808 19.254 -13.649 58 HA HIS 9 HA HIS 9 -17.846 20.703 -12.174 59 HB2 HIS 9 HB3 HIS 9 -19.848 18.576 -11.411 60 HB3 HIS 9 HB2 HIS 9 -18.737 19.283 -10.238 61 HD1 HIS 9 HD1 HIS 9 -18.906 22.062 -10.187 62 HD2 HIS 9 HD2 HIS 9 -22.187 19.915 -11.577 63 HE1 HIS 9 HE1 HIS 9 -20.866 23.635 -10.020 64 HE2 HIS 9 HE2 HIS 9 -22.873 22.316 -10.874 65 H HIS 10 H HIS 10 -16.504 19.522 -10.454 66 HA HIS 10 HA HIS 10 -14.598 17.902 -11.803 67 HB2 HIS 10 HB3 HIS 10 -14.089 19.466 -9.907 68 HB3 HIS 10 HB2 HIS 10 -14.873 18.322 -8.817 69 HD1 HIS 10 HD1 HIS 10 -13.540 16.295 -8.083 70 HD2 HIS 10 HD2 HIS 10 -11.621 18.548 -11.009 71 HE1 HIS 10 HE1 HIS 10 -11.198 15.378 -8.218 72 HE2 HIS 10 HE2 HIS 10 -10.026 16.759 -10.010 73 H GLY 11 H GLY 11 -17.190 17.208 -9.504 74 HA2 GLY 11 HA3 GLY 11 -18.299 15.218 -9.120 75 HA3 GLY 11 HA2 GLY 11 -17.335 14.482 -10.394 76 H SER 12 H SER 12 -17.854 12.936 -8.290 77 HA SER 12 HA SER 12 -16.242 13.056 -6.044 78 HB2 SER 12 HB3 SER 12 -16.703 10.405 -7.365 79 HB3 SER 12 HB2 SER 12 -16.820 10.843 -5.658 80 HG SER 12 HG SER 12 -18.819 10.543 -7.180 81 H MET 13 H MET 13 -14.285 11.905 -5.487 82 HA MET 13 HA MET 13 -12.490 11.443 -7.782 83 HB2 MET 13 HB3 MET 13 -12.006 13.637 -6.772 84 HB3 MET 13 HB2 MET 13 -11.773 12.863 -5.207 85 HG2 MET 13 HG3 MET 13 -9.987 11.460 -6.495 86 HG3 MET 13 HG2 MET 13 -10.040 12.809 -7.630 87 HE1 MET 13 HE1 MET 13 -6.860 13.176 -6.253 88 HE2 MET 13 HE2 MET 13 -7.966 13.362 -7.617 89 HE3 MET 13 HE3 MET 13 -7.489 14.774 -6.669 90 H SER 14 H SER 14 -11.795 9.420 -7.782 91 HA SER 14 HA SER 14 -11.016 8.170 -5.249 92 HB2 SER 14 HB3 SER 14 -13.143 7.171 -7.116 93 HB3 SER 14 HB2 SER 14 -12.156 6.013 -6.220 94 HG SER 14 HG SER 14 -13.549 8.166 -5.001 95 H GLU 15 H GLU 15 -9.064 7.307 -5.440 96 HA GLU 15 HA GLU 15 -8.106 6.613 -8.145 97 HB2 GLU 15 HB3 GLU 15 -5.845 6.983 -7.285 98 HB3 GLU 15 HB2 GLU 15 -6.845 8.411 -7.057 99 HG2 GLU 15 HG3 GLU 15 -7.257 7.420 -4.693 100 HG3 GLU 15 HG2 GLU 15 -5.795 6.491 -5.032 101 H TYR 16 H TYR 16 -5.969 5.072 -7.635 102 HA TYR 16 HA TYR 16 -6.990 2.813 -6.036 103 HB2 TYR 16 HB3 TYR 16 -6.133 1.270 -7.782 104 HB3 TYR 16 HB2 TYR 16 -7.441 2.294 -8.362 105 HD1 TYR 16 HD1 TYR 16 -7.015 4.064 -9.989 106 HD2 TYR 16 HD2 TYR 16 -3.877 1.522 -8.636 107 HE1 TYR 16 HE1 TYR 16 -5.610 4.809 -11.864 108 HE2 TYR 16 HE2 TYR 16 -2.466 2.264 -10.506 109 HH TYR 16 HH TYR 16 -2.681 4.790 -12.091 110 H ILE 17 H ILE 17 -5.263 1.178 -5.564 111 HA ILE 17 HA ILE 17 -2.664 2.530 -5.179 112 HB ILE 17 HB ILE 17 -3.651 2.304 -3.027 113 HG12 ILE 17 HG13 ILE 17 -1.720 0.021 -3.453 114 HG13 ILE 17 HG12 ILE 17 -1.274 1.682 -3.167 115 HG21 ILE 17 HG21 ILE 17 -4.801 -0.064 -4.153 116 HG22 ILE 17 HG22 ILE 17 -4.016 -0.450 -2.626 117 HG23 ILE 17 HG23 ILE 17 -5.252 0.806 -2.689 118 HD11 ILE 17 HD11 ILE 17 -2.555 -0.238 -1.261 119 HD12 ILE 17 HD12 ILE 17 -1.003 0.590 -1.114 120 HD13 ILE 17 HD13 ILE 17 -2.505 1.502 -0.970 121 H ARG 18 H ARG 18 -1.009 1.609 -6.179 122 HA ARG 18 HA ARG 18 -1.191 -1.266 -6.835 123 HB2 ARG 18 HB3 ARG 18 -0.602 1.059 -8.508 124 HB3 ARG 18 HB2 ARG 18 0.613 -0.199 -8.628 125 HG2 ARG 18 HG3 ARG 18 -1.445 -1.770 -8.934 126 HG3 ARG 18 HG2 ARG 18 -2.263 -0.271 -9.382 127 HD2 ARG 18 HD3 ARG 18 -1.428 -0.507 -11.430 128 HD3 ARG 18 HD2 ARG 18 0.176 -0.229 -10.750 129 HE ARG 18 HE ARG 18 -0.248 -2.880 -10.322 130 HH11 ARG 18 HH11 ARG 18 -0.407 -0.821 -13.132 131 HH12 ARG 18 HH12 ARG 18 0.043 -2.078 -14.238 132 HH21 ARG 18 HH21 ARG 18 0.345 -4.538 -11.768 133 HH22 ARG 18 HH22 ARG 18 0.470 -4.191 -13.462 134 H VAL 19 H VAL 19 0.054 -2.238 -5.353 135 HA VAL 19 HA VAL 19 2.887 -1.546 -5.294 136 HB VAL 19 HB VAL 19 2.913 -1.740 -2.782 137 HG11 VAL 19 HG11 VAL 19 2.906 0.510 -2.609 138 HG12 VAL 19 HG12 VAL 19 2.720 0.429 -4.364 139 HG13 VAL 19 HG13 VAL 19 1.304 0.668 -3.339 140 HG21 VAL 19 HG21 VAL 19 0.697 -2.744 -2.511 141 HG22 VAL 19 HG22 VAL 19 0.841 -1.250 -1.582 142 HG23 VAL 19 HG23 VAL 19 -0.050 -1.258 -3.105 143 H THR 20 H THR 20 4.237 -3.226 -4.484 144 HA THR 20 HA THR 20 2.895 -5.849 -4.257 145 HB THR 20 HB THR 20 3.828 -6.024 -6.380 146 HG1 THR 20 HG1 THR 20 4.603 -7.731 -5.072 147 HG21 THR 20 HG21 THR 20 6.175 -4.463 -5.308 148 HG22 THR 20 HG22 THR 20 5.016 -3.961 -6.540 149 HG23 THR 20 HG23 THR 20 6.172 -5.249 -6.884 150 H GLU 21 H GLU 21 4.050 -7.467 -3.052 151 HA GLU 21 HA GLU 21 5.307 -6.381 -0.715 152 HB2 GLU 21 HB3 GLU 21 3.805 -8.535 -1.054 153 HB3 GLU 21 HB2 GLU 21 5.346 -9.299 -1.313 154 HG2 GLU 21 HG3 GLU 21 5.840 -7.901 0.953 155 HG3 GLU 21 HG2 GLU 21 4.142 -8.282 1.152 156 H ASP 22 H ASP 22 6.403 -8.523 -3.342 157 HA ASP 22 HA ASP 22 9.180 -7.878 -2.578 158 HB2 ASP 22 HB3 ASP 22 8.015 -10.350 -3.861 159 HB3 ASP 22 HB2 ASP 22 9.747 -10.016 -3.832 160 H GLU 23 H GLU 23 10.662 -7.338 -4.184 161 HA GLU 23 HA GLU 23 9.634 -5.870 -6.371 162 HB2 GLU 23 HB3 GLU 23 12.024 -5.709 -7.081 163 HB3 GLU 23 HB2 GLU 23 11.742 -5.239 -5.408 164 HG2 GLU 23 HG3 GLU 23 12.467 -8.063 -5.869 165 HG3 GLU 23 HG2 GLU 23 13.723 -6.867 -6.180 166 H ASN 24 H ASN 24 10.620 -9.178 -6.012 167 HA ASN 24 HA ASN 24 11.043 -9.756 -8.765 168 HB2 ASN 24 HB3 ASN 24 11.240 -11.995 -8.119 169 HB3 ASN 24 HB2 ASN 24 11.744 -11.121 -6.675 170 HD21 ASN 24 HD21 ASN 24 10.339 -13.789 -7.366 171 HD22 ASN 24 HD22 ASN 24 9.046 -13.851 -6.209 172 H ASP 25 H ASP 25 8.223 -9.444 -6.785 173 HA ASP 25 HA ASP 25 6.527 -10.741 -8.792 174 HB2 ASP 25 HB3 ASP 25 6.354 -10.915 -6.145 175 HB3 ASP 25 HB2 ASP 25 5.398 -9.448 -6.350 176 H GLU 26 H GLU 26 4.576 -9.639 -9.543 177 HA GLU 26 HA GLU 26 5.203 -6.941 -10.372 178 HB2 GLU 26 HB3 GLU 26 3.494 -7.162 -11.941 179 HB3 GLU 26 HB2 GLU 26 4.101 -8.805 -11.781 180 HG2 GLU 26 HG3 GLU 26 2.233 -9.116 -10.049 181 HG3 GLU 26 HG2 GLU 26 1.555 -7.630 -10.723 182 HA PRO 27 HA PRO 27 2.824 -4.699 -7.440 183 HB2 PRO 27 HB3 PRO 27 1.918 -2.643 -8.949 184 HB3 PRO 27 HB2 PRO 27 3.598 -2.787 -8.449 185 HG2 PRO 27 HG3 PRO 27 2.341 -3.504 -11.072 186 HG3 PRO 27 HG2 PRO 27 3.878 -2.676 -10.758 187 HD2 PRO 27 HD3 PRO 27 3.740 -5.304 -11.391 188 HD3 PRO 27 HD2 PRO 27 4.991 -4.646 -10.317 189 H ILE 28 H ILE 28 0.989 -5.543 -6.668 190 HA ILE 28 HA ILE 28 -1.212 -6.246 -8.396 191 HB ILE 28 HB ILE 28 -0.774 -7.688 -6.520 192 HG12 ILE 28 HG13 ILE 28 -2.995 -7.691 -5.423 193 HG13 ILE 28 HG12 ILE 28 -3.305 -6.085 -6.076 194 HG21 ILE 28 HG21 ILE 28 0.308 -6.253 -4.977 195 HG22 ILE 28 HG22 ILE 28 -1.103 -5.196 -4.864 196 HG23 ILE 28 HG23 ILE 28 -1.160 -6.820 -4.180 197 HD11 ILE 28 HD11 ILE 28 -4.436 -7.625 -7.463 198 HD12 ILE 28 HD12 ILE 28 -3.020 -7.082 -8.367 199 HD13 ILE 28 HD13 ILE 28 -3.015 -8.665 -7.587 200 H GLU 29 H GLU 29 -3.088 -5.176 -8.709 201 HA GLU 29 HA GLU 29 -3.290 -2.494 -7.527 202 HB2 GLU 29 HB3 GLU 29 -4.888 -2.028 -9.347 203 HB3 GLU 29 HB2 GLU 29 -3.319 -2.550 -9.952 204 HG2 GLU 29 HG3 GLU 29 -4.431 -3.992 -11.219 205 HG3 GLU 29 HG2 GLU 29 -4.718 -4.912 -9.742 206 H ILE 30 H ILE 30 -4.650 -2.173 -5.908 207 HA ILE 30 HA ILE 30 -7.071 -3.857 -5.747 208 HB ILE 30 HB ILE 30 -6.758 -3.340 -3.168 209 HG12 ILE 30 HG13 ILE 30 -3.879 -3.748 -3.836 210 HG13 ILE 30 HG12 ILE 30 -4.523 -2.128 -3.951 211 HG21 ILE 30 HG21 ILE 30 -6.980 -5.559 -4.087 212 HG22 ILE 30 HG22 ILE 30 -5.318 -5.516 -4.680 213 HG23 ILE 30 HG23 ILE 30 -5.637 -5.536 -2.944 214 HD11 ILE 30 HD11 ILE 30 -3.473 -2.618 -1.780 215 HD12 ILE 30 HD12 ILE 30 -5.171 -2.156 -1.642 216 HD13 ILE 30 HD13 ILE 30 -4.703 -3.853 -1.500 217 HA PRO 31 HA PRO 31 -9.446 -0.192 -5.329 218 HB2 PRO 31 HB3 PRO 31 -11.345 -0.940 -3.534 219 HB3 PRO 31 HB2 PRO 31 -11.308 -1.533 -5.200 220 HG2 PRO 31 HG3 PRO 31 -10.341 -2.859 -2.693 221 HG3 PRO 31 HG2 PRO 31 -11.255 -3.553 -4.047 222 HD2 PRO 31 HD3 PRO 31 -8.583 -3.886 -3.771 223 HD3 PRO 31 HD2 PRO 31 -9.372 -3.794 -5.359 224 H SER 32 H SER 32 -9.676 1.650 -4.100 225 HA SER 32 HA SER 32 -8.733 1.546 -1.312 226 HB2 SER 32 HB3 SER 32 -7.310 3.438 -1.606 227 HB3 SER 32 HB2 SER 32 -6.929 2.330 -2.926 228 HG SER 32 HG SER 32 -7.168 4.451 -3.698 229 H GLU 33 H GLU 33 -9.064 3.921 -0.362 230 HA GLU 33 HA GLU 33 -11.914 4.372 -0.530 231 HB2 GLU 33 HB3 GLU 33 -9.694 5.274 1.233 232 HB3 GLU 33 HB2 GLU 33 -11.108 6.315 1.128 233 HG2 GLU 33 HG3 GLU 33 -12.506 4.311 1.701 234 HG3 GLU 33 HG2 GLU 33 -11.001 3.447 2.028 235 H ASP 34 H ASP 34 -12.758 6.645 -0.642 236 HA ASP 34 HA ASP 34 -11.911 7.830 -3.100 237 HB2 ASP 34 HB3 ASP 34 -13.687 9.471 -2.680 238 HB3 ASP 34 HB2 ASP 34 -14.267 7.828 -2.410 239 H ASP 35 H ASP 35 -11.417 8.553 0.294 240 HA ASP 35 HA ASP 35 -10.407 11.180 -0.033 241 HB2 ASP 35 HB3 ASP 35 -9.916 9.142 2.151 242 HB3 ASP 35 HB2 ASP 35 -9.444 10.839 2.240 243 H GLY 36 H GLY 36 -9.080 8.100 -0.707 244 HA2 GLY 36 HA3 GLY 36 -7.088 8.156 -2.152 245 HA3 GLY 36 HA2 GLY 36 -6.417 9.339 -1.067 246 H THR 37 H THR 37 -7.639 7.695 1.214 247 HA THR 37 HA THR 37 -5.271 6.118 1.688 248 HB THR 37 HB THR 37 -6.125 5.713 3.872 249 HG1 THR 37 HG1 THR 37 -8.631 6.854 3.219 250 HG21 THR 37 HG21 THR 37 -5.925 8.306 2.809 251 HG22 THR 37 HG22 THR 37 -5.782 7.825 4.502 252 HG23 THR 37 HG23 THR 37 -7.351 8.318 3.853 253 H VAL 38 H VAL 38 -5.946 3.895 2.953 254 HA VAL 38 HA VAL 38 -7.780 2.385 1.223 255 HB VAL 38 HB VAL 38 -4.905 1.649 1.780 256 HG11 VAL 38 HG11 VAL 38 -6.030 -0.372 2.129 257 HG12 VAL 38 HG12 VAL 38 -7.204 -0.046 0.847 258 HG13 VAL 38 HG13 VAL 38 -5.531 -0.439 0.439 259 HG21 VAL 38 HG21 VAL 38 -5.746 3.142 -0.216 260 HG22 VAL 38 HG22 VAL 38 -4.519 1.903 -0.464 261 HG23 VAL 38 HG23 VAL 38 -6.199 1.583 -0.904 262 H LEU 39 H LEU 39 -9.182 1.330 2.447 263 HA LEU 39 HA LEU 39 -9.070 1.161 5.227 264 HB2 LEU 39 HB3 LEU 39 -10.822 0.328 3.141 265 HB3 LEU 39 HB2 LEU 39 -10.603 -1.025 4.251 266 HG LEU 39 HG LEU 39 -12.572 0.268 4.839 267 HD11 LEU 39 HD11 LEU 39 -10.870 -0.718 6.564 268 HD12 LEU 39 HD12 LEU 39 -12.215 0.287 7.108 269 HD13 LEU 39 HD13 LEU 39 -10.599 0.982 6.960 270 HD21 LEU 39 HD21 LEU 39 -11.490 2.431 3.902 271 HD22 LEU 39 HD22 LEU 39 -10.853 2.616 5.537 272 HD23 LEU 39 HD23 LEU 39 -12.597 2.541 5.272 273 H LEU 40 H LEU 40 -8.624 -0.515 6.670 274 HA LEU 40 HA LEU 40 -6.360 -2.083 6.078 275 HB2 LEU 40 HB3 LEU 40 -7.033 -1.315 8.337 276 HB3 LEU 40 HB2 LEU 40 -8.356 -2.477 8.306 277 HG LEU 40 HG LEU 40 -6.818 -4.323 8.345 278 HD11 LEU 40 HD11 LEU 40 -5.046 -3.545 6.962 279 HD12 LEU 40 HD12 LEU 40 -4.358 -3.876 8.551 280 HD13 LEU 40 HD13 LEU 40 -4.687 -2.213 8.062 281 HD21 LEU 40 HD21 LEU 40 -5.496 -2.663 10.384 282 HD22 LEU 40 HD22 LEU 40 -6.381 -4.183 10.547 283 HD23 LEU 40 HD23 LEU 40 -7.261 -2.657 10.430 284 H SER 41 H SER 41 -9.700 -2.629 5.538 285 HA SER 41 HA SER 41 -9.736 -5.460 5.598 286 HB2 SER 41 HB3 SER 41 -11.472 -3.402 4.234 287 HB3 SER 41 HB2 SER 41 -11.764 -5.133 4.048 288 HG SER 41 HG SER 41 -11.434 -4.149 6.641 289 H THR 42 H THR 42 -8.936 -3.115 3.098 290 HA THR 42 HA THR 42 -8.699 -5.112 1.027 291 HB THR 42 HB THR 42 -7.611 -2.296 0.936 292 HG1 THR 42 HG1 THR 42 -9.613 -1.598 0.409 293 HG21 THR 42 HG21 THR 42 -6.855 -3.293 -0.985 294 HG22 THR 42 HG22 THR 42 -8.445 -2.763 -1.534 295 HG23 THR 42 HG23 THR 42 -8.194 -4.440 -1.050 296 H VAL 43 H VAL 43 -6.551 -3.431 3.241 297 HA VAL 43 HA VAL 43 -4.100 -4.142 2.012 298 HB VAL 43 HB VAL 43 -4.814 -3.410 4.853 299 HG11 VAL 43 HG11 VAL 43 -2.956 -4.675 5.320 300 HG12 VAL 43 HG12 VAL 43 -2.224 -4.382 3.738 301 HG13 VAL 43 HG13 VAL 43 -2.206 -3.116 4.968 302 HG21 VAL 43 HG21 VAL 43 -3.009 -1.588 3.820 303 HG22 VAL 43 HG22 VAL 43 -4.039 -1.979 2.442 304 HG23 VAL 43 HG23 VAL 43 -4.758 -1.373 3.936 305 H THR 44 H THR 44 -6.188 -5.799 4.309 306 HA THR 44 HA THR 44 -4.278 -7.923 4.774 307 HB THR 44 HB THR 44 -5.982 -8.952 6.144 308 HG1 THR 44 HG1 THR 44 -7.847 -6.931 5.527 309 HG21 THR 44 HG21 THR 44 -6.718 -6.386 7.122 310 HG22 THR 44 HG22 THR 44 -5.067 -6.278 6.507 311 HG23 THR 44 HG23 THR 44 -5.478 -7.478 7.736 312 H ALA 45 H ALA 45 -6.570 -7.184 2.385 313 HA ALA 45 HA ALA 45 -7.462 -9.780 1.688 314 HB1 ALA 45 HB1 ALA 45 -8.729 -8.631 0.263 315 HB2 ALA 45 HB2 ALA 45 -8.703 -8.653 0.231 316 HB3 ALA 45 HB3 ALA 45 -7.278 -8.038 -0.600 317 H GLN 46 H GLN 46 -4.744 -7.798 0.548 318 HA GLN 46 HA GLN 46 -3.694 -10.179 -0.843 319 HB2 GLN 46 HB3 GLN 46 -3.103 -7.260 -1.373 320 HB3 GLN 46 HB2 GLN 46 -2.414 -8.616 -2.243 321 HG2 GLN 46 HG3 GLN 46 -5.331 -7.882 -2.160 322 HG3 GLN 46 HG2 GLN 46 -4.220 -7.559 -3.492 323 HE21 GLN 46 HE21 GLN 46 -6.711 -9.188 -3.275 324 HE22 GLN 46 HE22 GLN 46 -6.270 -10.757 -3.876 325 H PHE 47 H PHE 47 -3.133 -7.832 1.618 326 HA PHE 47 HA PHE 47 -0.467 -9.014 2.100 327 HB2 PHE 47 HB3 PHE 47 -1.121 -6.219 2.961 328 HB3 PHE 47 HB2 PHE 47 0.435 -6.945 2.674 329 HD1 PHE 47 HD2 PHE 47 0.263 -8.048 0.024 330 HD2 PHE 47 HD1 PHE 47 -1.380 -4.423 1.545 331 HE1 PHE 47 HE2 PHE 47 0.288 -7.092 -2.238 332 HE2 PHE 47 HE1 PHE 47 -1.359 -3.461 -0.719 333 HZ PHE 47 HZ PHE 47 -0.531 -4.792 -2.617 334 HA PRO 48 HA PRO 48 -3.224 -9.770 5.753 335 HB2 PRO 48 HB3 PRO 48 -2.441 -12.349 6.096 336 HB3 PRO 48 HB2 PRO 48 -3.744 -11.875 5.004 337 HG2 PRO 48 HG3 PRO 48 -0.884 -12.508 4.378 338 HG3 PRO 48 HG2 PRO 48 -2.352 -12.996 3.516 339 HD2 PRO 48 HD3 PRO 48 -0.786 -10.957 2.677 340 HD3 PRO 48 HD2 PRO 48 -2.544 -10.971 2.428 341 H GLY 49 H GLY 49 -2.540 -9.311 7.757 342 HA2 GLY 49 HA3 GLY 49 -1.172 -9.325 9.632 343 HA3 GLY 49 HA2 GLY 49 -0.017 -10.306 8.760 344 H ALA 50 H ALA 50 -0.797 -7.706 6.851 345 HA ALA 50 HA ALA 50 1.757 -6.448 7.381 346 HB1 ALA 50 HB1 ALA 50 1.060 -4.957 5.459 347 HB2 ALA 50 HB2 ALA 50 1.017 -4.947 5.468 348 HB3 ALA 50 HB3 ALA 50 -0.384 -5.995 5.322 349 H CYS 51 H CYS 51 2.029 -4.906 8.832 350 HA CYS 51 HA CYS 51 -0.296 -3.300 9.656 351 HB2 CYS 51 HB3 CYS 51 2.215 -4.177 10.994 352 HB3 CYS 51 HB2 CYS 51 1.542 -2.626 11.471 353 HG CYS 51 HG CYS 51 0.553 -4.218 13.392 354 H GLY 52 H GLY 52 3.181 -2.901 8.941 355 HA2 GLY 52 HA3 GLY 52 2.565 -0.139 8.101 356 HA3 GLY 52 HA2 GLY 52 4.048 -0.575 8.890 357 H LEU 53 H LEU 53 3.001 0.412 6.068 358 HA LEU 53 HA LEU 53 4.754 -1.388 4.515 359 HB2 LEU 53 HB3 LEU 53 2.544 0.335 3.415 360 HB3 LEU 53 HB2 LEU 53 3.457 -0.907 2.568 361 HG LEU 53 HG LEU 53 1.440 -1.957 2.943 362 HD11 LEU 53 HD11 LEU 53 2.520 -2.800 5.567 363 HD12 LEU 53 HD12 LEU 53 3.579 -2.989 4.168 364 HD13 LEU 53 HD13 LEU 53 1.997 -3.763 4.185 365 HD21 LEU 53 HD21 LEU 53 0.684 -0.030 4.464 366 HD22 LEU 53 HD22 LEU 53 1.268 -1.033 5.794 367 HD23 LEU 53 HD23 LEU 53 -0.014 -1.628 4.737 368 H ARG 54 H ARG 54 6.395 -0.533 3.348 369 HA ARG 54 HA ARG 54 6.813 2.373 3.616 370 HB2 ARG 54 HB3 ARG 54 8.537 0.082 3.935 371 HB3 ARG 54 HB2 ARG 54 9.191 1.161 2.721 372 HG2 ARG 54 HG3 ARG 54 9.356 2.946 4.239 373 HG3 ARG 54 HG2 ARG 54 8.299 2.153 5.412 374 HD2 ARG 54 HD3 ARG 54 10.950 0.994 4.586 375 HD3 ARG 54 HD2 ARG 54 10.798 2.151 5.911 376 HE ARG 54 HE ARG 54 9.010 -0.074 6.176 377 HH11 ARG 54 HH11 ARG 54 12.283 1.010 6.697 378 HH12 ARG 54 HH12 ARG 54 12.592 -0.121 7.977 379 HH21 ARG 54 HH21 ARG 54 9.408 -1.562 7.857 380 HH22 ARG 54 HH22 ARG 54 10.956 -1.583 8.636 381 H TYR 55 H TYR 55 8.219 3.292 1.787 382 HA TYR 55 HA TYR 55 7.077 2.365 -0.772 383 HB2 TYR 55 HB3 TYR 55 7.721 5.073 0.298 384 HB3 TYR 55 HB2 TYR 55 7.804 4.818 -1.425 385 HD1 TYR 55 HD1 TYR 55 5.610 3.252 -2.186 386 HD2 TYR 55 HD2 TYR 55 5.775 6.117 0.953 387 HE1 TYR 55 HE1 TYR 55 3.176 3.561 -2.349 388 HE2 TYR 55 HE2 TYR 55 3.342 6.433 0.800 389 HH TYR 55 HH TYR 55 1.556 5.865 -1.532 390 H ARG 56 H ARG 56 8.408 1.585 -2.258 391 HA ARG 56 HA ARG 56 11.262 2.314 -2.124 392 HB2 ARG 56 HB3 ARG 56 11.004 0.072 -1.193 393 HB3 ARG 56 HB2 ARG 56 10.120 -0.440 -2.621 394 HG2 ARG 56 HG3 ARG 56 12.442 -1.221 -2.624 395 HG3 ARG 56 HG2 ARG 56 12.084 -0.169 -3.996 396 HD2 ARG 56 HD3 ARG 56 13.092 1.722 -2.780 397 HD3 ARG 56 HD2 ARG 56 13.492 0.632 -1.449 398 HE ARG 56 HE ARG 56 14.854 0.871 -3.985 399 HH11 ARG 56 HH11 ARG 56 14.231 -1.161 -1.218 400 HH12 ARG 56 HH12 ARG 56 15.676 -2.098 -1.416 401 HH21 ARG 56 HH21 ARG 56 16.759 -0.359 -4.251 402 HH22 ARG 56 HH22 ARG 56 17.112 -1.642 -3.141 403 H ASN 57 H ASN 57 11.468 3.600 -3.859 404 HA ASN 57 HA ASN 57 10.833 2.436 -6.475 405 HB2 ASN 57 HB3 ASN 57 9.055 4.126 -5.593 406 HB3 ASN 57 HB2 ASN 57 10.252 5.339 -5.995 407 HD21 ASN 57 HD21 ASN 57 9.365 2.309 -7.596 408 HD22 ASN 57 HD22 ASN 57 8.942 3.034 -9.115 409 HA PRO 58 HA PRO 58 15.025 3.810 -7.047 410 HB2 PRO 58 HB3 PRO 58 15.257 2.936 -9.611 411 HB3 PRO 58 HB2 PRO 58 15.339 1.859 -8.222 412 HG2 PRO 58 HG3 PRO 58 13.035 2.421 -10.042 413 HG3 PRO 58 HG2 PRO 58 13.596 0.866 -9.395 414 HD2 PRO 58 HD3 PRO 58 11.490 2.203 -8.343 415 HD3 PRO 58 HD2 PRO 58 12.561 1.205 -7.360 416 H VAL 59 H VAL 59 12.672 4.282 -9.693 417 HA VAL 59 HA VAL 59 13.994 6.449 -10.897 418 HB VAL 59 HB VAL 59 11.779 6.976 -11.928 419 HG11 VAL 59 HG11 VAL 59 13.412 5.233 -12.776 420 HG12 VAL 59 HG12 VAL 59 12.356 4.023 -12.038 421 HG13 VAL 59 HG13 VAL 59 11.740 5.070 -13.323 422 HG21 VAL 59 HG21 VAL 59 10.311 6.391 -10.109 423 HG22 VAL 59 HG22 VAL 59 9.920 5.386 -11.506 424 HG23 VAL 59 HG23 VAL 59 10.849 4.706 -10.164 425 H SER 60 H SER 60 11.621 6.301 -8.297 426 HA SER 60 HA SER 60 11.094 9.085 -8.167 427 HB2 SER 60 HB3 SER 60 9.727 7.185 -7.141 428 HB3 SER 60 HB2 SER 60 10.911 7.186 -5.832 429 HG SER 60 HG SER 60 8.820 8.657 -5.930 430 H GLN 61 H GLN 61 13.623 7.061 -6.894 431 HA GLN 61 HA GLN 61 15.548 7.525 -5.770 432 HB2 GLN 61 HB3 GLN 61 14.977 10.389 -6.553 433 HB3 GLN 61 HB2 GLN 61 16.524 9.748 -6.021 434 HG2 GLN 61 HG3 GLN 61 15.159 8.622 -8.432 435 HG3 GLN 61 HG2 GLN 61 16.104 10.106 -8.538 436 HE21 GLN 61 HE21 GLN 61 16.698 7.729 -9.912 437 HE22 GLN 61 HE22 GLN 61 18.217 7.129 -9.324 438 H CYS 62 H CYS 62 12.865 7.715 -4.455 439 HA CYS 62 HA CYS 62 13.590 9.455 -2.185 440 HB2 CYS 62 HB3 CYS 62 11.236 9.516 -1.612 441 HB3 CYS 62 HB2 CYS 62 11.433 9.973 -3.302 442 HG CYS 62 HG CYS 62 10.253 6.996 -2.100 443 H MET 63 H MET 63 12.387 8.551 -0.092 444 HA MET 63 HA MET 63 12.577 5.657 0.121 445 HB2 MET 63 HB3 MET 63 14.206 5.700 1.941 446 HB3 MET 63 HB2 MET 63 14.898 6.379 0.471 447 HG2 MET 63 HG3 MET 63 13.646 8.249 2.408 448 HG3 MET 63 HG2 MET 63 15.198 7.524 2.833 449 HE1 MET 63 HE1 MET 63 17.746 9.342 0.891 450 HE2 MET 63 HE2 MET 63 17.147 9.319 2.552 451 HE3 MET 63 HE3 MET 63 17.331 7.806 1.659 452 H ARG 64 H ARG 64 10.411 7.469 0.356 453 HA ARG 64 HA ARG 64 9.887 7.892 3.165 454 HB2 ARG 64 HB3 ARG 64 7.683 8.693 2.391 455 HB3 ARG 64 HB2 ARG 64 9.013 9.483 1.554 456 HG2 ARG 64 HG3 ARG 64 8.448 8.622 -0.444 457 HG3 ARG 64 HG2 ARG 64 7.940 7.078 0.244 458 HD2 ARG 64 HD3 ARG 64 5.934 7.970 -0.497 459 HD3 ARG 64 HD2 ARG 64 5.951 8.439 1.203 460 HE ARG 64 HE ARG 64 5.964 10.617 0.536 461 HH11 ARG 64 HH11 ARG 64 7.181 8.650 -2.073 462 HH12 ARG 64 HH12 ARG 64 7.307 9.973 -3.186 463 HH21 ARG 64 HH21 ARG 64 6.126 12.365 -0.921 464 HH22 ARG 64 HH22 ARG 64 6.708 12.085 -2.530 465 H GLY 65 H GLY 65 7.353 7.223 3.640 466 HA2 GLY 65 HA3 GLY 65 6.943 4.425 2.894 467 HA3 GLY 65 HA2 GLY 65 7.231 4.752 4.599 468 H VAL 66 H VAL 66 4.871 3.594 3.433 469 HA VAL 66 HA VAL 66 2.794 5.540 3.253 470 HB VAL 66 HB VAL 66 2.605 2.577 3.841 471 HG11 VAL 66 HG11 VAL 66 0.283 2.777 3.114 472 HG12 VAL 66 HG12 VAL 66 0.596 3.787 4.527 473 HG13 VAL 66 HG13 VAL 66 0.485 4.520 2.926 474 HG21 VAL 66 HG21 VAL 66 1.959 3.796 1.203 475 HG22 VAL 66 HG22 VAL 66 3.652 3.532 1.621 476 HG23 VAL 66 HG23 VAL 66 2.531 2.169 1.582 477 H ARG 67 H ARG 67 1.260 6.164 4.751 478 HA ARG 67 HA ARG 67 2.081 5.876 7.540 479 HB2 ARG 67 HB3 ARG 67 1.636 8.128 6.816 480 HB3 ARG 67 HB2 ARG 67 0.059 7.666 6.183 481 HG2 ARG 67 HG3 ARG 67 -0.250 8.832 8.248 482 HG3 ARG 67 HG2 ARG 67 -0.655 7.133 8.500 483 HD2 ARG 67 HD3 ARG 67 1.897 7.006 9.195 484 HD3 ARG 67 HD2 ARG 67 1.642 8.721 9.526 485 HE ARG 67 HE ARG 67 -0.357 6.988 10.679 486 HH11 ARG 67 HH11 ARG 67 2.762 8.483 11.121 487 HH12 ARG 67 HH12 ARG 67 2.701 8.403 12.851 488 HH21 ARG 67 HH21 ARG 67 -0.445 6.877 12.955 489 HH22 ARG 67 HH22 ARG 67 0.876 7.488 13.893 490 H LEU 68 H LEU 68 0.902 4.883 9.105 491 HA LEU 68 HA LEU 68 -1.575 3.533 8.236 492 HB2 LEU 68 HB3 LEU 68 0.231 1.945 8.581 493 HB3 LEU 68 HB2 LEU 68 0.527 2.599 10.190 494 HG LEU 68 HG LEU 68 -0.758 0.364 9.928 495 HD11 LEU 68 HD11 LEU 68 -0.673 2.331 11.877 496 HD12 LEU 68 HD12 LEU 68 -1.243 0.674 12.075 497 HD13 LEU 68 HD13 LEU 68 -2.391 1.963 11.709 498 HD21 LEU 68 HD21 LEU 68 -2.375 1.700 8.301 499 HD22 LEU 68 HD22 LEU 68 -3.198 2.056 9.816 500 HD23 LEU 68 HD23 LEU 68 -2.954 0.383 9.317 501 H VAL 69 H VAL 69 -3.349 4.172 9.246 502 HA VAL 69 HA VAL 69 -3.206 4.937 12.073 503 HB VAL 69 HB VAL 69 -3.021 7.063 10.943 504 HG11 VAL 69 HG11 VAL 69 -3.936 7.450 8.956 505 HG12 VAL 69 HG12 VAL 69 -4.674 5.849 9.004 506 HG13 VAL 69 HG13 VAL 69 -5.554 7.244 9.628 507 HG21 VAL 69 HG21 VAL 69 -4.772 6.536 12.887 508 HG22 VAL 69 HG22 VAL 69 -4.578 8.150 12.197 509 HG23 VAL 69 HG23 VAL 69 -5.899 7.112 11.657 510 H GLU 70 H GLU 70 -4.710 3.857 13.148 511 HA GLU 70 HA GLU 70 -6.589 2.666 13.639 512 HB2 GLU 70 HB3 GLU 70 -7.899 4.377 11.519 513 HB3 GLU 70 HB2 GLU 70 -8.701 3.527 12.833 514 HG2 GLU 70 HG3 GLU 70 -7.015 5.033 14.262 515 HG3 GLU 70 HG2 GLU 70 -7.203 6.070 12.847 516 H GLY 71 H GLY 71 -4.808 1.847 11.364 517 HA2 GLY 71 HA3 GLY 71 -4.852 -0.241 10.261 518 HA3 GLY 71 HA2 GLY 71 -6.610 -0.214 10.321 519 H ILE 72 H ILE 72 -6.568 2.621 9.304 520 HA ILE 72 HA ILE 72 -6.643 1.920 6.500 521 HB ILE 72 HB ILE 72 -7.103 4.614 7.790 522 HG12 ILE 72 HG13 ILE 72 -9.553 3.615 7.003 523 HG13 ILE 72 HG12 ILE 72 -8.746 2.190 7.630 524 HG21 ILE 72 HG21 ILE 72 -8.590 4.611 5.546 525 HG22 ILE 72 HG22 ILE 72 -6.943 5.234 5.630 526 HG23 ILE 72 HG23 ILE 72 -7.242 3.603 5.026 527 HD11 ILE 72 HD11 ILE 72 -8.225 4.140 9.521 528 HD12 ILE 72 HD12 ILE 72 -9.898 4.433 9.038 529 HD13 ILE 72 HD13 ILE 72 -9.417 2.843 9.637 530 H LEU 73 H LEU 73 -4.931 1.998 5.220 531 HA LEU 73 HA LEU 73 -2.542 3.417 5.993 532 HB2 LEU 73 HB3 LEU 73 -3.309 1.686 3.666 533 HB3 LEU 73 HB2 LEU 73 -1.807 2.585 3.658 534 HG LEU 73 HG LEU 73 -1.391 0.310 4.334 535 HD11 LEU 73 HD11 LEU 73 -0.236 0.695 6.420 536 HD12 LEU 73 HD12 LEU 73 -1.217 2.124 6.735 537 HD13 LEU 73 HD13 LEU 73 -0.082 2.120 5.391 538 HD21 LEU 73 HD21 LEU 73 -2.458 -0.781 6.108 539 HD22 LEU 73 HD22 LEU 73 -3.766 0.028 5.244 540 HD23 LEU 73 HD23 LEU 73 -3.139 0.717 6.740 541 H HIS 74 H HIS 74 -2.381 5.537 5.724 542 HA HIS 74 HA HIS 74 -3.895 6.897 3.654 543 HB2 HIS 74 HB3 HIS 74 -3.756 7.944 5.840 544 HB3 HIS 74 HB2 HIS 74 -2.004 7.928 5.772 545 HD1 HIS 74 HD1 HIS 74 -4.134 9.018 2.868 546 HD2 HIS 74 HD2 HIS 74 -1.701 10.681 5.804 547 HE1 HIS 74 HE1 HIS 74 -3.846 11.432 2.219 548 HE2 HIS 74 HE2 HIS 74 -2.356 12.447 4.020 549 H ALA 75 H ALA 75 -3.118 7.749 1.800 550 HA ALA 75 HA ALA 75 -0.430 6.970 1.002 551 HB1 ALA 75 HB1 ALA 75 -1.638 6.548 -0.838 552 HB2 ALA 75 HB2 ALA 75 -1.601 6.572 -0.853 553 HB3 ALA 75 HB3 ALA 75 -1.490 8.304 -1.135 554 HA PRO 76 HA PRO 76 1.524 10.879 1.396 555 HB2 PRO 76 HB3 PRO 76 3.078 10.971 -0.833 556 HB3 PRO 76 HB2 PRO 76 3.421 9.904 0.537 557 HG2 PRO 76 HG3 PRO 76 2.083 9.277 -2.060 558 HG3 PRO 76 HG2 PRO 76 3.291 8.343 -1.181 559 HD2 PRO 76 HD3 PRO 76 0.654 7.739 -1.096 560 HD3 PRO 76 HD2 PRO 76 1.736 7.461 0.278 561 H ASP 77 H ASP 77 2.243 12.820 -0.190 562 HA ASP 77 HA ASP 77 -0.252 13.926 -1.130 563 HB2 ASP 77 HB3 ASP 77 2.542 15.089 -1.244 564 HB3 ASP 77 HB2 ASP 77 1.040 15.970 -1.518 565 H ALA 78 H ALA 78 1.877 11.857 -2.513 566 HA ALA 78 HA ALA 78 1.526 12.981 -5.215 567 HB1 ALA 78 HB1 ALA 78 3.730 11.613 -3.903 568 HB2 ALA 78 HB2 ALA 78 3.732 11.658 -3.907 569 HB3 ALA 78 HB3 ALA 78 3.698 12.548 -5.427 570 H GLY 79 H GLY 79 0.820 10.278 -3.140 571 HA2 GLY 79 HA3 GLY 79 -1.250 9.074 -3.739 572 HA3 GLY 79 HA2 GLY 79 -0.638 9.019 -5.377 573 H TRP 80 H TRP 80 -1.221 6.671 -4.872 574 HA TRP 80 HA TRP 80 0.639 5.222 -3.220 575 HB2 TRP 80 HB3 TRP 80 -1.421 4.257 -5.221 576 HB3 TRP 80 HB2 TRP 80 -0.486 3.212 -4.167 577 HD1 TRP 80 HD1 TRP 80 -3.642 5.160 -4.283 578 HE1 TRP 80 HE1 TRP 80 -4.794 5.154 -1.976 579 HE3 TRP 80 HE3 TRP 80 0.201 3.293 -1.479 580 HZ2 TRP 80 HZ2 TRP 80 -4.147 4.438 0.677 581 HZ3 TRP 80 HZ3 TRP 80 -0.148 2.979 0.934 582 HH2 TRP 80 HH2 TRP 80 -2.276 3.539 1.988 583 H GLY 81 H GLY 81 -0.035 5.160 -6.733 584 HA2 GLY 81 HA3 GLY 81 1.568 5.193 -8.452 585 HA3 GLY 81 HA2 GLY 81 2.832 4.953 -7.253 586 H ASN 82 H ASN 82 3.646 3.395 -8.842 587 HA ASN 82 HA ASN 82 2.336 0.776 -8.490 588 HB2 ASN 82 HB3 ASN 82 3.922 1.244 -10.962 589 HB3 ASN 82 HB2 ASN 82 2.494 0.243 -10.713 590 HD21 ASN 82 HD21 ASN 82 0.488 1.588 -10.127 591 HD22 ASN 82 HD22 ASN 82 0.213 2.984 -11.123 592 H LEU 83 H LEU 83 4.358 1.851 -6.838 593 HA LEU 83 HA LEU 83 6.824 0.500 -7.669 594 HB2 LEU 83 HB3 LEU 83 7.700 1.522 -5.519 595 HB3 LEU 83 HB2 LEU 83 7.264 2.631 -6.815 596 HG LEU 83 HG LEU 83 6.621 3.217 -4.384 597 HD11 LEU 83 HD11 LEU 83 5.317 4.734 -5.351 598 HD12 LEU 83 HD12 LEU 83 4.155 3.509 -5.868 599 HD13 LEU 83 HD13 LEU 83 5.564 3.865 -6.867 600 HD21 LEU 83 HD21 LEU 83 4.347 1.354 -5.054 601 HD22 LEU 83 HD22 LEU 83 4.530 2.328 -3.599 602 HD23 LEU 83 HD23 LEU 83 5.634 0.987 -3.903 603 H VAL 84 H VAL 84 7.978 -0.379 -5.462 604 HA VAL 84 HA VAL 84 6.187 -2.538 -4.584 605 HB VAL 84 HB VAL 84 8.213 -3.347 -5.590 606 HG11 VAL 84 HG11 VAL 84 10.225 -2.517 -3.763 607 HG12 VAL 84 HG12 VAL 84 10.110 -2.198 -5.496 608 HG13 VAL 84 HG13 VAL 84 9.379 -1.084 -4.344 609 HG21 VAL 84 HG21 VAL 84 9.166 -4.658 -3.734 610 HG22 VAL 84 HG22 VAL 84 8.333 -3.611 -2.584 611 HG23 VAL 84 HG23 VAL 84 7.404 -4.623 -3.691 612 H TYR 85 H TYR 85 5.571 -2.772 -2.518 613 HA TYR 85 HA TYR 85 6.535 -0.776 -0.591 614 HB2 TYR 85 HB3 TYR 85 4.491 -0.911 0.461 615 HB3 TYR 85 HB2 TYR 85 4.015 -1.264 -1.174 616 HD1 TYR 85 HD1 TYR 85 4.490 -2.645 2.178 617 HD2 TYR 85 HD2 TYR 85 3.337 -3.517 -1.823 618 HE1 TYR 85 HE1 TYR 85 3.505 -4.770 2.927 619 HE2 TYR 85 HE2 TYR 85 2.352 -5.645 -1.083 620 HH TYR 85 HH TYR 85 2.384 -7.174 0.680 621 H VAL 86 H VAL 86 7.299 -1.334 1.439 622 HA VAL 86 HA VAL 86 8.249 -4.110 1.663 623 HB VAL 86 HB VAL 86 9.179 -1.628 3.117 624 HG11 VAL 86 HG11 VAL 86 11.011 -3.034 3.929 625 HG12 VAL 86 HG12 VAL 86 9.446 -3.637 4.478 626 HG13 VAL 86 HG13 VAL 86 10.281 -4.439 3.146 627 HG21 VAL 86 HG21 VAL 86 11.214 -2.808 1.546 628 HG22 VAL 86 HG22 VAL 86 9.785 -2.646 0.523 629 HG23 VAL 86 HG23 VAL 86 10.451 -1.230 1.342 630 H VAL 87 H VAL 87 7.226 -5.437 2.997 631 HA VAL 87 HA VAL 87 5.160 -4.605 4.740 632 HB VAL 87 HB VAL 87 5.282 -6.947 5.634 633 HG11 VAL 87 HG11 VAL 87 3.785 -6.594 3.851 634 HG12 VAL 87 HG12 VAL 87 5.098 -6.433 2.676 635 HG13 VAL 87 HG13 VAL 87 4.733 -8.008 3.385 636 HG21 VAL 87 HG21 VAL 87 7.767 -7.143 5.237 637 HG22 VAL 87 HG22 VAL 87 6.801 -8.529 4.727 638 HG23 VAL 87 HG23 VAL 87 7.392 -7.377 3.527 639 H ASN 88 H ASN 88 5.054 -4.464 6.976 640 HA ASN 88 HA ASN 88 7.532 -4.740 8.504 641 HB2 ASN 88 HB3 ASN 88 7.241 -2.336 7.608 642 HB3 ASN 88 HB2 ASN 88 5.918 -2.208 8.761 643 HD21 ASN 88 HD21 ASN 88 6.895 -0.669 10.015 644 HD22 ASN 88 HD22 ASN 88 8.284 -1.002 11.006 645 H TYR 89 H TYR 89 6.768 -6.323 9.808 646 HA TYR 89 HA TYR 89 4.940 -5.588 11.884 647 HB2 TYR 89 HB3 TYR 89 3.222 -7.262 11.453 648 HB3 TYR 89 HB2 TYR 89 3.331 -6.146 10.095 649 HD1 TYR 89 HD1 TYR 89 4.414 -6.882 7.979 650 HD2 TYR 89 HD2 TYR 89 3.667 -9.586 11.177 651 HE1 TYR 89 HE1 TYR 89 4.708 -8.779 6.439 652 HE2 TYR 89 HE2 TYR 89 3.959 -11.487 9.647 653 HH TYR 89 HH TYR 89 3.726 -11.858 7.105 Start of MODEL 17 1 H1 MET 1 H1 MET 1 1.438 28.292 7.815 2 H2 MET 1 H2 MET 1 0.591 26.875 7.898 3 H3 MET 1 H3 MET 1 0.789 27.636 6.443 4 HA MET 1 HA MET 1 -0.972 28.233 8.626 5 HB2 MET 1 HB3 MET 1 -1.220 30.558 7.825 6 HB3 MET 1 HB2 MET 1 0.376 30.248 8.497 7 HG2 MET 1 HG3 MET 1 0.011 29.923 5.568 8 HG3 MET 1 HG2 MET 1 0.034 31.556 6.230 9 HE1 MET 1 HE1 MET 1 3.029 32.245 5.107 10 HE2 MET 1 HE2 MET 1 1.639 32.777 6.057 11 HE3 MET 1 HE3 MET 1 3.215 32.579 6.831 12 H ALA 2 H ALA 2 -0.167 27.669 5.308 13 HA ALA 2 HA ALA 2 -2.829 28.145 4.299 14 HB1 ALA 2 HB1 ALA 2 -0.368 28.092 3.133 15 HB2 ALA 2 HB2 ALA 2 -0.401 28.128 3.122 16 HB3 ALA 2 HB3 ALA 2 -1.919 27.948 2.251 17 H GLY 3 H GLY 3 -4.359 26.819 5.123 18 HA2 GLY 3 HA3 GLY 3 -3.850 24.030 5.646 19 HA3 GLY 3 HA2 GLY 3 -5.394 24.860 5.795 20 H SER 4 H SER 4 -6.530 25.365 3.738 21 HA SER 4 HA SER 4 -6.783 23.013 2.176 22 HB2 SER 4 HB3 SER 4 -7.825 25.712 1.327 23 HB3 SER 4 HB2 SER 4 -8.534 24.118 1.051 24 HG SER 4 HG SER 4 -9.638 25.202 2.710 25 H HIS 5 H HIS 5 -5.803 22.387 0.363 26 HA HIS 5 HA HIS 5 -4.160 24.372 -1.083 27 HB2 HIS 5 HB3 HIS 5 -3.558 21.598 -0.182 28 HB3 HIS 5 HB2 HIS 5 -2.908 22.103 -1.742 29 HD1 HIS 5 HD1 HIS 5 -2.361 22.391 1.877 30 HD2 HIS 5 HD2 HIS 5 -1.120 24.369 -1.567 31 HE1 HIS 5 HE1 HIS 5 -0.364 23.762 2.565 32 HE2 HIS 5 HE2 HIS 5 0.393 24.972 0.452 33 H HIS 6 H HIS 6 -4.955 24.800 -3.022 34 HA HIS 6 HA HIS 6 -6.987 23.313 -4.278 35 HB2 HIS 6 HB3 HIS 6 -5.094 25.440 -5.273 36 HB3 HIS 6 HB2 HIS 6 -6.297 24.701 -6.329 37 HD1 HIS 6 HD1 HIS 6 -6.060 27.744 -5.053 38 HD2 HIS 6 HD2 HIS 6 -8.830 24.755 -4.212 39 HE1 HIS 6 HE1 HIS 6 -8.085 28.931 -4.139 40 HE2 HIS 6 HE2 HIS 6 -9.778 27.097 -3.626 41 H HIS 7 H HIS 7 -6.892 21.435 -5.294 42 HA HIS 7 HA HIS 7 -4.675 20.809 -7.054 43 HB2 HIS 7 HB3 HIS 7 -4.126 20.036 -4.625 44 HB3 HIS 7 HB2 HIS 7 -5.307 18.765 -4.941 45 HD1 HIS 7 HD1 HIS 7 -3.679 16.826 -5.019 46 HD2 HIS 7 HD2 HIS 7 -2.682 19.903 -7.638 47 HE1 HIS 7 HE1 HIS 7 -1.837 15.910 -6.472 48 HE2 HIS 7 HE2 HIS 7 -1.229 17.798 -8.074 49 H HIS 8 H HIS 8 -5.046 18.683 -8.182 50 HA HIS 8 HA HIS 8 -7.684 18.636 -9.231 51 HB2 HIS 8 HB3 HIS 8 -5.701 18.011 -10.558 52 HB3 HIS 8 HB2 HIS 8 -5.464 16.596 -9.534 53 HD1 HIS 8 HD1 HIS 8 -5.911 14.755 -11.172 54 HD2 HIS 8 HD2 HIS 8 -8.914 17.634 -11.146 55 HE1 HIS 8 HE1 HIS 8 -7.750 13.829 -12.623 56 HE2 HIS 8 HE2 HIS 8 -9.587 15.596 -12.604 57 H HIS 9 H HIS 9 -5.966 16.624 -6.898 58 HA HIS 9 HA HIS 9 -7.767 14.509 -6.686 59 HB2 HIS 9 HB3 HIS 9 -5.524 14.604 -5.605 60 HB3 HIS 9 HB2 HIS 9 -6.170 15.749 -4.431 61 HD1 HIS 9 HD1 HIS 9 -7.295 12.316 -5.673 62 HD2 HIS 9 HD2 HIS 9 -6.732 14.446 -2.144 63 HE1 HIS 9 HE1 HIS 9 -7.945 10.741 -3.818 64 HE2 HIS 9 HE2 HIS 9 -7.598 12.050 -1.658 65 H HIS 10 H HIS 10 -8.012 17.779 -5.559 66 HA HIS 10 HA HIS 10 -9.841 17.572 -3.491 67 HB2 HIS 10 HB3 HIS 10 -8.696 19.665 -4.464 68 HB3 HIS 10 HB2 HIS 10 -10.047 19.721 -5.596 69 HD1 HIS 10 HD1 HIS 10 -10.640 18.684 -2.051 70 HD2 HIS 10 HD2 HIS 10 -11.033 22.073 -4.435 71 HE1 HIS 10 HE1 HIS 10 -12.020 20.304 -0.705 72 HE2 HIS 10 HE2 HIS 10 -12.257 22.378 -2.166 73 H GLY 11 H GLY 11 -10.462 17.659 -6.989 74 HA2 GLY 11 HA3 GLY 11 -13.158 16.584 -6.418 75 HA3 GLY 11 HA2 GLY 11 -12.927 17.873 -7.592 76 H SER 12 H SER 12 -12.227 14.495 -6.866 77 HA SER 12 HA SER 12 -12.424 13.840 -9.677 78 HB2 SER 12 HB3 SER 12 -10.017 14.507 -9.356 79 HB3 SER 12 HB2 SER 12 -9.856 13.166 -8.220 80 HG SER 12 HG SER 12 -9.776 11.820 -9.837 81 H MET 13 H MET 13 -12.382 11.492 -10.047 82 HA MET 13 HA MET 13 -13.962 10.126 -8.149 83 HB2 MET 13 HB3 MET 13 -13.697 8.176 -9.597 84 HB3 MET 13 HB2 MET 13 -14.020 9.619 -10.552 85 HG2 MET 13 HG3 MET 13 -11.707 9.789 -11.177 86 HG3 MET 13 HG2 MET 13 -11.280 8.460 -10.100 87 HE1 MET 13 HE1 MET 13 -10.531 6.137 -12.140 88 HE2 MET 13 HE2 MET 13 -10.492 7.243 -13.516 89 HE3 MET 13 HE3 MET 13 -9.968 7.797 -11.923 90 H SER 14 H SER 14 -13.360 7.903 -7.297 91 HA SER 14 HA SER 14 -11.198 8.171 -5.499 92 HB2 SER 14 HB3 SER 14 -12.681 5.645 -6.273 93 HB3 SER 14 HB2 SER 14 -11.718 5.886 -4.813 94 HG SER 14 HG SER 14 -14.292 6.606 -5.334 95 H GLU 15 H GLU 15 -9.121 7.546 -5.583 96 HA GLU 15 HA GLU 15 -8.107 6.571 -8.130 97 HB2 GLU 15 HB3 GLU 15 -6.658 7.371 -5.595 98 HB3 GLU 15 HB2 GLU 15 -5.885 6.972 -7.119 99 HG2 GLU 15 HG3 GLU 15 -7.913 9.164 -6.975 100 HG3 GLU 15 HG2 GLU 15 -6.237 9.446 -6.498 101 H TYR 16 H TYR 16 -6.073 5.015 -7.758 102 HA TYR 16 HA TYR 16 -7.009 2.763 -6.092 103 HB2 TYR 16 HB3 TYR 16 -6.178 1.226 -7.836 104 HB3 TYR 16 HB2 TYR 16 -7.459 2.268 -8.438 105 HD1 TYR 16 HD2 TYR 16 -6.799 4.311 -9.813 106 HD2 TYR 16 HD1 TYR 16 -4.083 1.158 -8.904 107 HE1 TYR 16 HE2 TYR 16 -5.352 5.029 -11.667 108 HE2 TYR 16 HE1 TYR 16 -2.634 1.871 -10.756 109 HH TYR 16 HH TYR 16 -3.263 3.344 -13.133 110 H ILE 17 H ILE 17 -5.278 1.185 -5.564 111 HA ILE 17 HA ILE 17 -2.689 2.569 -5.221 112 HB ILE 17 HB ILE 17 -3.617 2.343 -3.060 113 HG12 ILE 17 HG13 ILE 17 -1.790 -0.026 -3.473 114 HG13 ILE 17 HG12 ILE 17 -1.251 1.623 -3.272 115 HG21 ILE 17 HG21 ILE 17 -5.304 0.918 -2.794 116 HG22 ILE 17 HG22 ILE 17 -4.786 -0.059 -4.164 117 HG23 ILE 17 HG23 ILE 17 -4.094 -0.343 -2.571 118 HD11 ILE 17 HD11 ILE 17 -2.615 -0.119 -1.246 119 HD12 ILE 17 HD12 ILE 17 -0.984 0.551 -1.187 120 HD13 ILE 17 HD13 ILE 17 -2.381 1.617 -1.035 121 H ARG 18 H ARG 18 -1.015 1.669 -6.206 122 HA ARG 18 HA ARG 18 -1.161 -1.206 -6.874 123 HB2 ARG 18 HB3 ARG 18 -0.590 1.131 -8.533 124 HB3 ARG 18 HB2 ARG 18 0.646 -0.106 -8.648 125 HG2 ARG 18 HG3 ARG 18 -1.088 -1.764 -9.204 126 HG3 ARG 18 HG2 ARG 18 -2.295 -0.474 -9.154 127 HD2 ARG 18 HD3 ARG 18 -1.674 -0.848 -11.440 128 HD3 ARG 18 HD2 ARG 18 -1.018 0.707 -10.930 129 HE ARG 18 HE ARG 18 0.961 -1.196 -10.501 130 HH11 ARG 18 HH11 ARG 18 -0.806 0.162 -13.182 131 HH12 ARG 18 HH12 ARG 18 0.483 -0.072 -14.318 132 HH21 ARG 18 HH21 ARG 18 2.662 -1.507 -11.988 133 HH22 ARG 18 HH22 ARG 18 2.455 -1.023 -13.639 134 H VAL 19 H VAL 19 0.091 -2.182 -5.401 135 HA VAL 19 HA VAL 19 2.915 -1.460 -5.317 136 HB VAL 19 HB VAL 19 2.980 -1.582 -2.840 137 HG11 VAL 19 HG11 VAL 19 2.634 0.663 -2.571 138 HG12 VAL 19 HG12 VAL 19 2.669 0.559 -4.334 139 HG13 VAL 19 HG13 VAL 19 1.123 0.651 -3.489 140 HG21 VAL 19 HG21 VAL 19 0.851 -1.204 -1.613 141 HG22 VAL 19 HG22 VAL 19 -0.024 -1.488 -3.118 142 HG23 VAL 19 HG23 VAL 19 0.939 -2.782 -2.398 143 H THR 20 H THR 20 4.276 -3.136 -4.575 144 HA THR 20 HA THR 20 2.954 -5.771 -4.345 145 HB THR 20 HB THR 20 3.913 -5.935 -6.452 146 HG1 THR 20 HG1 THR 20 6.153 -6.710 -4.883 147 HG21 THR 20 HG21 THR 20 6.146 -4.248 -5.347 148 HG22 THR 20 HG22 THR 20 5.067 -3.900 -6.699 149 HG23 THR 20 HG23 THR 20 6.314 -5.137 -6.861 150 H GLU 21 H GLU 21 4.033 -7.356 -3.079 151 HA GLU 21 HA GLU 21 5.248 -6.299 -0.730 152 HB2 GLU 21 HB3 GLU 21 3.806 -8.437 -1.035 153 HB3 GLU 21 HB2 GLU 21 5.308 -9.202 -1.478 154 HG2 GLU 21 HG3 GLU 21 5.899 -7.851 0.865 155 HG3 GLU 21 HG2 GLU 21 4.291 -8.499 1.134 156 H ASP 22 H ASP 22 6.476 -8.286 -3.412 157 HA ASP 22 HA ASP 22 9.194 -7.405 -2.687 158 HB2 ASP 22 HB3 ASP 22 8.277 -10.174 -3.469 159 HB3 ASP 22 HB2 ASP 22 9.966 -9.673 -3.556 160 H GLU 23 H GLU 23 10.709 -7.326 -4.454 161 HA GLU 23 HA GLU 23 9.629 -6.151 -6.780 162 HB2 GLU 23 HB3 GLU 23 11.903 -6.088 -7.611 163 HB3 GLU 23 HB2 GLU 23 11.892 -5.671 -5.902 164 HG2 GLU 23 HG3 GLU 23 12.356 -8.257 -5.630 165 HG3 GLU 23 HG2 GLU 23 12.983 -8.070 -7.269 166 H ASN 24 H ASN 24 10.397 -9.432 -5.965 167 HA ASN 24 HA ASN 24 10.625 -10.476 -8.591 168 HB2 ASN 24 HB3 ASN 24 11.174 -11.529 -6.230 169 HB3 ASN 24 HB2 ASN 24 9.522 -12.132 -6.352 170 HD21 ASN 24 HD21 ASN 24 9.617 -14.188 -6.894 171 HD22 ASN 24 HD22 ASN 24 10.598 -14.865 -8.156 172 H ASP 25 H ASP 25 7.917 -9.596 -6.609 173 HA ASP 25 HA ASP 25 6.058 -10.882 -8.497 174 HB2 ASP 25 HB3 ASP 25 5.882 -11.239 -5.958 175 HB3 ASP 25 HB2 ASP 25 5.295 -9.577 -5.888 176 H GLU 26 H GLU 26 4.617 -9.722 -9.688 177 HA GLU 26 HA GLU 26 5.239 -7.026 -10.283 178 HB2 GLU 26 HB3 GLU 26 3.088 -8.938 -11.084 179 HB3 GLU 26 HB2 GLU 26 2.855 -7.230 -11.431 180 HG2 GLU 26 HG3 GLU 26 5.453 -8.422 -12.205 181 HG3 GLU 26 HG2 GLU 26 4.029 -8.903 -13.130 182 HA PRO 27 HA PRO 27 2.826 -4.656 -7.488 183 HB2 PRO 27 HB3 PRO 27 1.886 -2.670 -9.067 184 HB3 PRO 27 HB2 PRO 27 3.571 -2.778 -8.585 185 HG2 PRO 27 HG3 PRO 27 2.287 -3.613 -11.159 186 HG3 PRO 27 HG2 PRO 27 3.824 -2.760 -10.898 187 HD2 PRO 27 HD3 PRO 27 3.699 -5.413 -11.421 188 HD3 PRO 27 HD2 PRO 27 4.958 -4.703 -10.391 189 H ILE 28 H ILE 28 1.011 -5.486 -6.657 190 HA ILE 28 HA ILE 28 -1.214 -6.251 -8.339 191 HB ILE 28 HB ILE 28 -0.739 -7.663 -6.455 192 HG12 ILE 28 HG13 ILE 28 -2.925 -7.698 -5.343 193 HG13 ILE 28 HG12 ILE 28 -3.248 -6.057 -5.897 194 HG21 ILE 28 HG21 ILE 28 -1.062 -6.763 -4.118 195 HG22 ILE 28 HG22 ILE 28 0.385 -6.210 -4.962 196 HG23 ILE 28 HG23 ILE 28 -1.020 -5.149 -4.824 197 HD11 ILE 28 HD11 ILE 28 -3.981 -8.391 -7.164 198 HD12 ILE 28 HD12 ILE 28 -3.971 -6.774 -7.871 199 HD13 ILE 28 HD13 ILE 28 -2.580 -7.840 -8.085 200 H GLU 29 H GLU 29 -3.098 -5.197 -8.641 201 HA GLU 29 HA GLU 29 -3.304 -2.500 -7.489 202 HB2 GLU 29 HB3 GLU 29 -5.038 -2.173 -9.296 203 HB3 GLU 29 HB2 GLU 29 -3.392 -2.443 -9.861 204 HG2 GLU 29 HG3 GLU 29 -3.910 -4.763 -10.355 205 HG3 GLU 29 HG2 GLU 29 -5.546 -4.544 -9.735 206 H ILE 30 H ILE 30 -4.649 -2.168 -5.861 207 HA ILE 30 HA ILE 30 -7.056 -3.868 -5.653 208 HB ILE 30 HB ILE 30 -6.728 -3.336 -3.086 209 HG12 ILE 30 HG13 ILE 30 -3.844 -3.687 -3.752 210 HG13 ILE 30 HG12 ILE 30 -4.520 -2.083 -3.901 211 HG21 ILE 30 HG21 ILE 30 -5.049 -5.478 -4.373 212 HG22 ILE 30 HG22 ILE 30 -5.837 -5.515 -2.794 213 HG23 ILE 30 HG23 ILE 30 -6.809 -5.560 -4.266 214 HD11 ILE 30 HD11 ILE 30 -3.526 -2.347 -1.734 215 HD12 ILE 30 HD12 ILE 30 -5.278 -2.208 -1.562 216 HD13 ILE 30 HD13 ILE 30 -4.499 -3.787 -1.428 217 HA PRO 31 HA PRO 31 -9.451 -0.213 -5.257 218 HB2 PRO 31 HB3 PRO 31 -11.334 -0.959 -3.444 219 HB3 PRO 31 HB2 PRO 31 -11.303 -1.567 -5.107 220 HG2 PRO 31 HG3 PRO 31 -10.313 -2.864 -2.595 221 HG3 PRO 31 HG2 PRO 31 -11.230 -3.576 -3.937 222 HD2 PRO 31 HD3 PRO 31 -8.553 -3.889 -3.674 223 HD3 PRO 31 HD2 PRO 31 -9.354 -3.814 -5.258 224 H SER 32 H SER 32 -9.687 1.638 -4.043 225 HA SER 32 HA SER 32 -8.801 1.569 -1.241 226 HB2 SER 32 HB3 SER 32 -7.141 3.157 -1.500 227 HB3 SER 32 HB2 SER 32 -6.992 2.290 -3.029 228 HG SER 32 HG SER 32 -7.068 4.459 -3.499 229 H GLU 33 H GLU 33 -9.307 3.620 -0.087 230 HA GLU 33 HA GLU 33 -12.024 4.302 -0.452 231 HB2 GLU 33 HB3 GLU 33 -10.426 4.445 1.651 232 HB3 GLU 33 HB2 GLU 33 -10.189 6.094 1.085 233 HG2 GLU 33 HG3 GLU 33 -12.641 6.423 1.156 234 HG3 GLU 33 HG2 GLU 33 -12.804 4.806 1.844 235 H ASP 34 H ASP 34 -12.901 6.461 -0.818 236 HA ASP 34 HA ASP 34 -11.936 7.589 -3.230 237 HB2 ASP 34 HB3 ASP 34 -14.313 7.632 -2.602 238 HB3 ASP 34 HB2 ASP 34 -13.942 8.705 -1.254 239 H ASP 35 H ASP 35 -11.422 8.346 0.129 240 HA ASP 35 HA ASP 35 -10.448 10.987 -0.209 241 HB2 ASP 35 HB3 ASP 35 -10.184 8.918 1.957 242 HB3 ASP 35 HB2 ASP 35 -9.281 10.430 2.046 243 H GLY 36 H GLY 36 -9.100 7.913 -0.888 244 HA2 GLY 36 HA3 GLY 36 -7.141 7.898 -2.336 245 HA3 GLY 36 HA2 GLY 36 -6.484 9.201 -1.375 246 H THR 37 H THR 37 -7.804 7.397 0.910 247 HA THR 37 HA THR 37 -5.275 6.067 1.507 248 HB THR 37 HB THR 37 -6.129 5.727 3.730 249 HG1 THR 37 HG1 THR 37 -8.610 6.858 2.926 250 HG21 THR 37 HG21 THR 37 -5.560 7.850 4.107 251 HG22 THR 37 HG22 THR 37 -7.234 8.312 3.790 252 HG23 THR 37 HG23 THR 37 -6.052 8.315 2.477 253 H VAL 38 H VAL 38 -5.711 3.889 2.832 254 HA VAL 38 HA VAL 38 -7.556 2.204 1.268 255 HB VAL 38 HB VAL 38 -4.654 1.601 1.857 256 HG11 VAL 38 HG11 VAL 38 -5.766 -0.427 2.289 257 HG12 VAL 38 HG12 VAL 38 -6.884 -0.198 0.938 258 HG13 VAL 38 HG13 VAL 38 -5.183 -0.562 0.630 259 HG21 VAL 38 HG21 VAL 38 -4.278 1.716 -0.416 260 HG22 VAL 38 HG22 VAL 38 -5.974 1.437 -0.823 261 HG23 VAL 38 HG23 VAL 38 -5.461 3.002 -0.187 262 H LEU 39 H LEU 39 -8.926 1.243 2.602 263 HA LEU 39 HA LEU 39 -8.644 1.194 5.400 264 HB2 LEU 39 HB3 LEU 39 -10.469 -0.111 3.436 265 HB3 LEU 39 HB2 LEU 39 -10.481 -0.673 5.106 266 HG LEU 39 HG LEU 39 -12.257 0.963 4.639 267 HD11 LEU 39 HD11 LEU 39 -10.224 1.201 6.711 268 HD12 LEU 39 HD12 LEU 39 -11.984 1.218 6.838 269 HD13 LEU 39 HD13 LEU 39 -11.115 2.701 6.437 270 HD21 LEU 39 HD21 LEU 39 -11.058 2.267 2.935 271 HD22 LEU 39 HD22 LEU 39 -9.985 2.900 4.186 272 HD23 LEU 39 HD23 LEU 39 -11.707 3.290 4.220 273 H LEU 40 H LEU 40 -8.259 -0.512 6.847 274 HA LEU 40 HA LEU 40 -6.116 -2.203 6.195 275 HB2 LEU 40 HB3 LEU 40 -7.281 -1.388 8.494 276 HB3 LEU 40 HB2 LEU 40 -7.867 -3.050 8.413 277 HG LEU 40 HG LEU 40 -4.954 -2.262 8.328 278 HD11 LEU 40 HD11 LEU 40 -6.693 -2.216 10.521 279 HD12 LEU 40 HD12 LEU 40 -4.929 -2.169 10.544 280 HD13 LEU 40 HD13 LEU 40 -5.773 -3.714 10.672 281 HD21 LEU 40 HD21 LEU 40 -6.445 -4.818 8.139 282 HD22 LEU 40 HD22 LEU 40 -4.962 -4.816 9.094 283 HD23 LEU 40 HD23 LEU 40 -4.918 -4.335 7.396 284 H SER 41 H SER 41 -9.479 -2.563 5.677 285 HA SER 41 HA SER 41 -9.667 -5.391 5.708 286 HB2 SER 41 HB3 SER 41 -11.759 -4.416 5.756 287 HB3 SER 41 HB2 SER 41 -11.315 -3.157 4.599 288 HG SER 41 HG SER 41 -12.529 -5.499 4.142 289 H THR 42 H THR 42 -8.853 -3.054 3.192 290 HA THR 42 HA THR 42 -8.708 -5.047 1.116 291 HB THR 42 HB THR 42 -7.532 -2.267 1.021 292 HG1 THR 42 HG1 THR 42 -9.757 -2.181 1.626 293 HG21 THR 42 HG21 THR 42 -7.103 -4.099 -0.776 294 HG22 THR 42 HG22 THR 42 -7.569 -2.480 -1.291 295 HG23 THR 42 HG23 THR 42 -8.768 -3.774 -1.257 296 H VAL 43 H VAL 43 -6.477 -3.499 3.330 297 HA VAL 43 HA VAL 43 -4.063 -4.249 2.049 298 HB VAL 43 HB VAL 43 -4.715 -3.577 4.918 299 HG11 VAL 43 HG11 VAL 43 -2.891 -4.934 5.291 300 HG12 VAL 43 HG12 VAL 43 -2.157 -4.562 3.727 301 HG13 VAL 43 HG13 VAL 43 -2.113 -3.371 5.029 302 HG21 VAL 43 HG21 VAL 43 -2.936 -1.734 4.023 303 HG22 VAL 43 HG22 VAL 43 -3.795 -2.120 2.532 304 HG23 VAL 43 HG23 VAL 43 -4.689 -1.547 3.941 305 H THR 44 H THR 44 -6.171 -5.898 4.336 306 HA THR 44 HA THR 44 -4.329 -8.096 4.715 307 HB THR 44 HB THR 44 -6.066 -9.110 6.068 308 HG1 THR 44 HG1 THR 44 -8.111 -7.892 6.250 309 HG21 THR 44 HG21 THR 44 -5.018 -6.492 6.511 310 HG22 THR 44 HG22 THR 44 -5.439 -7.729 7.700 311 HG23 THR 44 HG23 THR 44 -6.655 -6.565 7.168 312 H ALA 45 H ALA 45 -6.623 -7.218 2.376 313 HA ALA 45 HA ALA 45 -7.625 -9.755 1.626 314 HB1 ALA 45 HB1 ALA 45 -8.264 -7.257 0.921 315 HB2 ALA 45 HB2 ALA 45 -8.293 -7.287 0.927 316 HB3 ALA 45 HB3 ALA 45 -8.652 -8.675 -0.095 317 H GLN 46 H GLN 46 -4.842 -7.861 0.483 318 HA GLN 46 HA GLN 46 -3.897 -10.265 -0.943 319 HB2 GLN 46 HB3 GLN 46 -3.234 -7.358 -1.457 320 HB3 GLN 46 HB2 GLN 46 -2.565 -8.722 -2.333 321 HG2 GLN 46 HG3 GLN 46 -5.422 -7.791 -2.301 322 HG3 GLN 46 HG2 GLN 46 -4.296 -7.766 -3.657 323 HE21 GLN 46 HE21 GLN 46 -3.207 -10.218 -3.648 324 HE22 GLN 46 HE22 GLN 46 -4.421 -11.433 -3.900 325 H PHE 47 H PHE 47 -3.208 -7.938 1.513 326 HA PHE 47 HA PHE 47 -0.577 -9.214 1.945 327 HB2 PHE 47 HB3 PHE 47 -1.145 -6.421 2.871 328 HB3 PHE 47 HB2 PHE 47 0.388 -7.181 2.542 329 HD1 PHE 47 HD2 PHE 47 0.055 -8.253 -0.139 330 HD2 PHE 47 HD1 PHE 47 -1.295 -4.564 1.508 331 HE1 PHE 47 HE2 PHE 47 0.068 -7.252 -2.380 332 HE2 PHE 47 HE1 PHE 47 -1.287 -3.557 -0.736 333 HZ PHE 47 HZ PHE 47 -0.612 -4.896 -2.686 334 HA PRO 48 HA PRO 48 -3.305 -9.963 5.625 335 HB2 PRO 48 HB3 PRO 48 -2.607 -12.575 5.896 336 HB3 PRO 48 HB2 PRO 48 -3.914 -12.032 4.837 337 HG2 PRO 48 HG3 PRO 48 -1.088 -12.749 4.147 338 HG3 PRO 48 HG2 PRO 48 -2.587 -13.165 3.300 339 HD2 PRO 48 HD3 PRO 48 -0.963 -11.163 2.480 340 HD3 PRO 48 HD2 PRO 48 -2.726 -11.110 2.263 341 H GLY 49 H GLY 49 -2.531 -9.447 7.572 342 HA2 GLY 49 HA3 GLY 49 -1.145 -9.616 9.443 343 HA3 GLY 49 HA2 GLY 49 -0.024 -10.586 8.514 344 H ALA 50 H ALA 50 -0.852 -7.867 6.760 345 HA ALA 50 HA ALA 50 1.745 -6.672 7.284 346 HB1 ALA 50 HB1 ALA 50 1.437 -5.428 5.306 347 HB2 ALA 50 HB2 ALA 50 1.403 -5.398 5.321 348 HB3 ALA 50 HB3 ALA 50 -0.332 -5.693 5.339 349 H CYS 51 H CYS 51 1.974 -5.261 8.877 350 HA CYS 51 HA CYS 51 -0.323 -3.648 9.725 351 HB2 CYS 51 HB3 CYS 51 1.222 -4.982 11.317 352 HB3 CYS 51 HB2 CYS 51 2.370 -3.677 11.065 353 HG CYS 51 HG CYS 51 -0.300 -2.101 11.767 354 H GLY 52 H GLY 52 3.131 -3.177 8.947 355 HA2 GLY 52 HA3 GLY 52 2.445 -0.412 8.160 356 HA3 GLY 52 HA2 GLY 52 3.952 -0.827 8.928 357 H LEU 53 H LEU 53 3.163 0.368 6.240 358 HA LEU 53 HA LEU 53 4.852 -1.424 4.614 359 HB2 LEU 53 HB3 LEU 53 2.332 0.014 3.836 360 HB3 LEU 53 HB2 LEU 53 3.503 -0.531 2.640 361 HG LEU 53 HG LEU 53 3.173 -2.857 3.467 362 HD11 LEU 53 HD11 LEU 53 2.294 -3.010 5.518 363 HD12 LEU 53 HD12 LEU 53 0.743 -2.847 4.689 364 HD13 LEU 53 HD13 LEU 53 1.507 -1.429 5.408 365 HD21 LEU 53 HD21 LEU 53 0.694 -1.426 2.506 366 HD22 LEU 53 HD22 LEU 53 0.992 -3.165 2.403 367 HD23 LEU 53 HD23 LEU 53 2.001 -2.039 1.489 368 H ARG 54 H ARG 54 6.460 -0.482 3.468 369 HA ARG 54 HA ARG 54 6.758 2.432 3.791 370 HB2 ARG 54 HB3 ARG 54 8.503 0.511 4.521 371 HB3 ARG 54 HB2 ARG 54 9.056 0.790 2.881 372 HG2 ARG 54 HG3 ARG 54 9.747 2.932 3.330 373 HG3 ARG 54 HG2 ARG 54 8.614 3.132 4.670 374 HD2 ARG 54 HD3 ARG 54 10.001 2.140 6.173 375 HD3 ARG 54 HD2 ARG 54 10.702 1.053 4.973 376 HE ARG 54 HE ARG 54 12.325 2.621 4.529 377 HH11 ARG 54 HH11 ARG 54 9.791 4.061 6.443 378 HH12 ARG 54 HH12 ARG 54 10.674 5.521 6.751 379 HH21 ARG 54 HH21 ARG 54 13.493 4.539 4.928 380 HH22 ARG 54 HH22 ARG 54 12.778 5.792 5.888 381 H TYR 55 H TYR 55 8.106 3.454 1.978 382 HA TYR 55 HA TYR 55 7.006 2.528 -0.597 383 HB2 TYR 55 HB3 TYR 55 7.604 5.261 0.484 384 HB3 TYR 55 HB2 TYR 55 7.541 4.994 -1.244 385 HD1 TYR 55 HD2 TYR 55 5.330 3.201 -1.645 386 HD2 TYR 55 HD1 TYR 55 5.698 6.391 1.143 387 HE1 TYR 55 HE2 TYR 55 2.883 3.431 -1.596 388 HE2 TYR 55 HE1 TYR 55 3.252 6.630 1.202 389 HH TYR 55 HH TYR 55 1.245 5.549 -0.994 390 H ARG 56 H ARG 56 8.377 1.804 -2.074 391 HA ARG 56 HA ARG 56 11.180 2.704 -1.971 392 HB2 ARG 56 HB3 ARG 56 10.916 0.417 -0.991 393 HB3 ARG 56 HB2 ARG 56 10.299 -0.129 -2.544 394 HG2 ARG 56 HG3 ARG 56 12.910 1.246 -2.591 395 HG3 ARG 56 HG2 ARG 56 12.864 -0.341 -1.815 396 HD2 ARG 56 HD3 ARG 56 12.122 -1.398 -3.779 397 HD3 ARG 56 HD2 ARG 56 11.673 0.133 -4.534 398 HE ARG 56 HE ARG 56 14.383 0.300 -4.108 399 HH11 ARG 56 HH11 ARG 56 12.236 -1.839 -5.828 400 HH12 ARG 56 HH12 ARG 56 13.406 -2.250 -7.040 401 HH21 ARG 56 HH21 ARG 56 15.930 -0.235 -5.694 402 HH22 ARG 56 HH22 ARG 56 15.507 -1.338 -6.962 403 H ASN 57 H ASN 57 11.444 3.875 -3.757 404 HA ASN 57 HA ASN 57 10.704 2.662 -6.325 405 HB2 ASN 57 HB3 ASN 57 9.208 4.699 -5.246 406 HB3 ASN 57 HB2 ASN 57 10.324 5.567 -6.273 407 HD21 ASN 57 HD21 ASN 57 8.604 6.170 -7.626 408 HD22 ASN 57 HD22 ASN 57 7.908 5.047 -8.750 409 HA PRO 58 HA PRO 58 14.949 3.854 -6.986 410 HB2 PRO 58 HB3 PRO 58 15.135 2.793 -9.483 411 HB3 PRO 58 HB2 PRO 58 15.201 1.816 -8.019 412 HG2 PRO 58 HG3 PRO 58 12.897 2.308 -9.859 413 HG3 PRO 58 HG2 PRO 58 13.423 0.789 -9.106 414 HD2 PRO 58 HD3 PRO 58 11.360 2.253 -8.143 415 HD3 PRO 58 HD2 PRO 58 12.412 1.303 -7.093 416 H VAL 59 H VAL 59 12.206 4.630 -9.002 417 HA VAL 59 HA VAL 59 13.684 6.543 -10.605 418 HB VAL 59 HB VAL 59 11.523 7.047 -11.654 419 HG11 VAL 59 HG11 VAL 59 12.293 4.154 -11.354 420 HG12 VAL 59 HG12 VAL 59 11.022 4.682 -12.464 421 HG13 VAL 59 HG13 VAL 59 12.675 5.268 -12.671 422 HG21 VAL 59 HG21 VAL 59 10.061 6.845 -9.742 423 HG22 VAL 59 HG22 VAL 59 9.521 5.742 -11.008 424 HG23 VAL 59 HG23 VAL 59 10.411 5.116 -9.615 425 H SER 60 H SER 60 11.553 6.532 -7.828 426 HA SER 60 HA SER 60 11.161 9.385 -7.819 427 HB2 SER 60 HB3 SER 60 9.539 7.698 -6.862 428 HB3 SER 60 HB2 SER 60 10.677 7.471 -5.531 429 HG SER 60 HG SER 60 8.902 9.094 -5.289 430 H GLN 61 H GLN 61 13.424 7.129 -6.442 431 HA GLN 61 HA GLN 61 15.352 7.414 -5.264 432 HB2 GLN 61 HB3 GLN 61 15.127 10.366 -5.849 433 HB3 GLN 61 HB2 GLN 61 16.585 9.432 -5.538 434 HG2 GLN 61 HG3 GLN 61 15.834 8.130 -7.687 435 HG3 GLN 61 HG2 GLN 61 14.937 9.615 -8.009 436 HE21 GLN 61 HE21 GLN 61 17.822 8.045 -8.429 437 HE22 GLN 61 HE22 GLN 61 18.826 9.407 -8.822 438 H CYS 62 H CYS 62 12.640 7.819 -4.043 439 HA CYS 62 HA CYS 62 13.402 9.474 -1.727 440 HB2 CYS 62 HB3 CYS 62 11.206 9.829 -3.105 441 HB3 CYS 62 HB2 CYS 62 10.622 8.442 -2.191 442 HG CYS 62 HG CYS 62 11.958 10.474 -0.035 443 H MET 63 H MET 63 12.759 8.695 0.413 444 HA MET 63 HA MET 63 12.702 5.748 0.579 445 HB2 MET 63 HB3 MET 63 14.453 7.699 2.056 446 HB3 MET 63 HB2 MET 63 14.084 6.120 2.737 447 HG2 MET 63 HG3 MET 63 16.036 5.648 1.675 448 HG3 MET 63 HG2 MET 63 14.888 5.269 0.390 449 HE1 MET 63 HE1 MET 63 17.919 8.677 0.546 450 HE2 MET 63 HE2 MET 63 16.608 8.726 1.728 451 HE3 MET 63 HE3 MET 63 17.709 7.344 1.686 452 H ARG 64 H ARG 64 10.594 7.840 0.771 453 HA ARG 64 HA ARG 64 9.837 8.087 3.508 454 HB2 ARG 64 HB3 ARG 64 7.675 8.870 2.606 455 HB3 ARG 64 HB2 ARG 64 9.045 9.687 1.865 456 HG2 ARG 64 HG3 ARG 64 8.595 8.871 -0.175 457 HG3 ARG 64 HG2 ARG 64 8.120 7.289 0.448 458 HD2 ARG 64 HD3 ARG 64 6.108 8.085 -0.351 459 HD3 ARG 64 HD2 ARG 64 6.032 8.579 1.339 460 HE ARG 64 HE ARG 64 5.984 10.745 0.634 461 HH11 ARG 64 HH11 ARG 64 7.410 8.792 -1.878 462 HH12 ARG 64 HH12 ARG 64 7.537 10.105 -3.004 463 HH21 ARG 64 HH21 ARG 64 6.148 12.477 -0.841 464 HH22 ARG 64 HH22 ARG 64 6.820 12.199 -2.413 465 H GLY 65 H GLY 65 7.394 7.356 3.981 466 HA2 GLY 65 HA3 GLY 65 7.007 4.576 3.116 467 HA3 GLY 65 HA2 GLY 65 7.225 4.875 4.836 468 H VAL 66 H VAL 66 4.935 3.673 3.751 469 HA VAL 66 HA VAL 66 2.818 5.528 3.353 470 HB VAL 66 HB VAL 66 2.527 2.704 4.390 471 HG11 VAL 66 HG11 VAL 66 0.400 2.831 3.087 472 HG12 VAL 66 HG12 VAL 66 0.473 3.924 4.472 473 HG13 VAL 66 HG13 VAL 66 0.716 4.549 2.839 474 HG21 VAL 66 HG21 VAL 66 3.603 3.628 1.873 475 HG22 VAL 66 HG22 VAL 66 3.487 1.987 2.508 476 HG23 VAL 66 HG23 VAL 66 2.131 2.689 1.629 477 H ARG 67 H ARG 67 1.110 6.093 4.758 478 HA ARG 67 HA ARG 67 1.938 6.225 7.571 479 HB2 ARG 67 HB3 ARG 67 1.426 8.372 6.718 480 HB3 ARG 67 HB2 ARG 67 -0.034 7.795 5.918 481 HG2 ARG 67 HG3 ARG 67 -0.609 9.110 7.858 482 HG3 ARG 67 HG2 ARG 67 -1.074 7.425 8.107 483 HD2 ARG 67 HD3 ARG 67 1.476 7.483 9.108 484 HD3 ARG 67 HD2 ARG 67 0.868 9.082 9.542 485 HE ARG 67 HE ARG 67 -0.915 6.896 10.184 486 HH11 ARG 67 HH11 ARG 67 1.705 8.919 11.276 487 HH12 ARG 67 HH12 ARG 67 1.383 8.651 12.959 488 HH21 ARG 67 HH21 ARG 67 -1.345 6.535 12.393 489 HH22 ARG 67 HH22 ARG 67 -0.352 7.296 13.593 490 H LEU 68 H LEU 68 1.101 4.845 8.976 491 HA LEU 68 HA LEU 68 -1.347 3.399 8.289 492 HB2 LEU 68 HB3 LEU 68 0.678 2.170 9.034 493 HB3 LEU 68 HB2 LEU 68 0.555 2.982 10.595 494 HG LEU 68 HG LEU 68 -0.299 0.581 10.424 495 HD11 LEU 68 HD11 LEU 68 -2.496 2.305 11.432 496 HD12 LEU 68 HD12 LEU 68 -0.887 2.551 12.117 497 HD13 LEU 68 HD13 LEU 68 -1.652 0.963 12.210 498 HD21 LEU 68 HD21 LEU 68 -1.518 0.870 8.310 499 HD22 LEU 68 HD22 LEU 68 -2.622 1.996 9.104 500 HD23 LEU 68 HD23 LEU 68 -2.571 0.304 9.605 501 H VAL 69 H VAL 69 -3.152 4.454 8.827 502 HA VAL 69 HA VAL 69 -3.302 5.631 11.536 503 HB VAL 69 HB VAL 69 -4.445 6.580 8.931 504 HG11 VAL 69 HG11 VAL 69 -5.566 7.094 11.678 505 HG12 VAL 69 HG12 VAL 69 -5.879 8.143 10.297 506 HG13 VAL 69 HG13 VAL 69 -6.408 6.462 10.260 507 HG21 VAL 69 HG21 VAL 69 -2.692 7.939 9.274 508 HG22 VAL 69 HG22 VAL 69 -3.760 8.757 10.415 509 HG23 VAL 69 HG23 VAL 69 -2.604 7.560 10.996 510 H GLU 70 H GLU 70 -4.349 4.203 12.771 511 HA GLU 70 HA GLU 70 -5.911 2.704 13.496 512 HB2 GLU 70 HB3 GLU 70 -7.872 4.098 11.687 513 HB3 GLU 70 HB2 GLU 70 -8.162 3.362 13.259 514 HG2 GLU 70 HG3 GLU 70 -6.930 5.126 14.356 515 HG3 GLU 70 HG2 GLU 70 -6.511 5.838 12.798 516 H GLY 71 H GLY 71 -4.386 1.903 11.203 517 HA2 GLY 71 HA3 GLY 71 -4.446 -0.174 10.086 518 HA3 GLY 71 HA2 GLY 71 -6.200 -0.170 10.216 519 H ILE 72 H ILE 72 -6.238 2.667 9.207 520 HA ILE 72 HA ILE 72 -6.411 1.973 6.407 521 HB ILE 72 HB ILE 72 -6.862 4.660 7.710 522 HG12 ILE 72 HG13 ILE 72 -9.321 3.552 7.013 523 HG13 ILE 72 HG12 ILE 72 -8.440 2.209 7.717 524 HG21 ILE 72 HG21 ILE 72 -7.397 5.456 5.700 525 HG22 ILE 72 HG22 ILE 72 -6.630 4.014 5.035 526 HG23 ILE 72 HG23 ILE 72 -8.372 4.036 5.309 527 HD11 ILE 72 HD11 ILE 72 -8.050 4.482 9.371 528 HD12 ILE 72 HD12 ILE 72 -9.773 4.327 9.029 529 HD13 ILE 72 HD13 ILE 72 -8.888 2.973 9.738 530 H LEU 73 H LEU 73 -4.590 1.892 5.257 531 HA LEU 73 HA LEU 73 -2.279 3.462 5.886 532 HB2 LEU 73 HB3 LEU 73 -3.009 1.629 3.622 533 HB3 LEU 73 HB2 LEU 73 -1.519 2.540 3.611 534 HG LEU 73 HG LEU 73 -1.053 0.317 4.366 535 HD11 LEU 73 HD11 LEU 73 0.010 0.761 6.471 536 HD12 LEU 73 HD12 LEU 73 -1.061 2.129 6.773 537 HD13 LEU 73 HD13 LEU 73 0.121 2.209 5.469 538 HD21 LEU 73 HD21 LEU 73 -2.156 -0.766 6.147 539 HD22 LEU 73 HD22 LEU 73 -3.435 -0.078 5.142 540 HD23 LEU 73 HD23 LEU 73 -2.972 0.717 6.646 541 H HIS 74 H HIS 74 -2.474 5.614 5.653 542 HA HIS 74 HA HIS 74 -3.920 6.790 3.453 543 HB2 HIS 74 HB3 HIS 74 -3.947 7.937 5.577 544 HB3 HIS 74 HB2 HIS 74 -2.195 7.994 5.621 545 HD1 HIS 74 HD1 HIS 74 -4.225 8.909 2.579 546 HD2 HIS 74 HD2 HIS 74 -1.961 10.742 5.547 547 HE1 HIS 74 HE1 HIS 74 -3.981 11.309 1.858 548 HE2 HIS 74 HE2 HIS 74 -2.594 12.428 3.681 549 H ALA 75 H ALA 75 -3.141 7.623 1.594 550 HA ALA 75 HA ALA 75 -0.425 6.947 0.856 551 HB1 ALA 75 HB1 ALA 75 -1.625 6.560 -1.004 552 HB2 ALA 75 HB2 ALA 75 -1.589 6.581 -1.015 553 HB3 ALA 75 HB3 ALA 75 -1.421 8.313 -1.276 554 HA PRO 76 HA PRO 76 1.511 10.851 1.376 555 HB2 PRO 76 HB3 PRO 76 3.084 11.018 -0.835 556 HB3 PRO 76 HB2 PRO 76 3.419 9.911 0.504 557 HG2 PRO 76 HG3 PRO 76 2.109 9.358 -2.122 558 HG3 PRO 76 HG2 PRO 76 3.311 8.402 -1.261 559 HD2 PRO 76 HD3 PRO 76 0.677 7.787 -1.219 560 HD3 PRO 76 HD2 PRO 76 1.747 7.472 0.156 561 H ASP 77 H ASP 77 2.240 12.839 -0.154 562 HA ASP 77 HA ASP 77 -0.251 13.968 -1.073 563 HB2 ASP 77 HB3 ASP 77 1.149 16.002 -1.504 564 HB3 ASP 77 HB2 ASP 77 1.239 15.406 0.153 565 H ALA 78 H ALA 78 1.877 11.937 -2.505 566 HA ALA 78 HA ALA 78 1.561 13.145 -5.174 567 HB1 ALA 78 HB1 ALA 78 3.716 12.657 -5.434 568 HB2 ALA 78 HB2 ALA 78 3.697 12.630 -5.467 569 HB3 ALA 78 HB3 ALA 78 3.280 10.926 -5.335 570 H GLY 79 H GLY 79 0.842 10.353 -3.204 571 HA2 GLY 79 HA3 GLY 79 -1.278 9.235 -3.883 572 HA3 GLY 79 HA2 GLY 79 -0.603 9.180 -5.496 573 H TRP 80 H TRP 80 -1.222 6.844 -5.097 574 HA TRP 80 HA TRP 80 0.552 5.346 -3.375 575 HB2 TRP 80 HB3 TRP 80 -1.581 4.516 -5.351 576 HB3 TRP 80 HB2 TRP 80 -0.602 3.363 -4.464 577 HD1 TRP 80 HD1 TRP 80 -3.752 5.259 -4.211 578 HE1 TRP 80 HE1 TRP 80 -4.732 5.101 -1.831 579 HE3 TRP 80 HE3 TRP 80 0.322 3.337 -1.799 580 HZ2 TRP 80 HZ2 TRP 80 -3.877 4.262 0.725 581 HZ3 TRP 80 HZ3 TRP 80 0.161 2.887 0.613 582 HH2 TRP 80 HH2 TRP 80 -1.895 3.339 1.846 583 H GLY 81 H GLY 81 -0.075 5.304 -6.897 584 HA2 GLY 81 HA3 GLY 81 1.508 5.243 -8.614 585 HA3 GLY 81 HA2 GLY 81 2.781 5.092 -7.409 586 H ASN 82 H ASN 82 3.649 3.482 -8.903 587 HA ASN 82 HA ASN 82 2.381 0.853 -8.469 588 HB2 ASN 82 HB3 ASN 82 4.051 1.235 -10.898 589 HB3 ASN 82 HB2 ASN 82 2.620 0.236 -10.658 590 HD21 ASN 82 HD21 ASN 82 0.598 1.636 -10.158 591 HD22 ASN 82 HD22 ASN 82 0.350 2.967 -11.243 592 H LEU 83 H LEU 83 4.338 2.060 -6.809 593 HA LEU 83 HA LEU 83 6.879 0.806 -7.493 594 HB2 LEU 83 HB3 LEU 83 7.829 2.071 -5.829 595 HB3 LEU 83 HB2 LEU 83 6.495 3.104 -6.342 596 HG LEU 83 HG LEU 83 6.568 1.361 -3.876 597 HD11 LEU 83 HD11 LEU 83 7.089 3.190 -2.668 598 HD12 LEU 83 HD12 LEU 83 6.197 4.283 -3.726 599 HD13 LEU 83 HD13 LEU 83 7.804 3.723 -4.188 600 HD21 LEU 83 HD21 LEU 83 4.421 3.264 -4.806 601 HD22 LEU 83 HD22 LEU 83 4.411 2.290 -3.332 602 HD23 LEU 83 HD23 LEU 83 4.325 1.505 -4.909 603 H VAL 84 H VAL 84 7.937 -0.082 -5.227 604 HA VAL 84 HA VAL 84 6.200 -2.356 -4.526 605 HB VAL 84 HB VAL 84 8.282 -3.054 -5.510 606 HG11 VAL 84 HG11 VAL 84 10.189 -2.248 -3.549 607 HG12 VAL 84 HG12 VAL 84 10.157 -1.888 -5.278 608 HG13 VAL 84 HG13 VAL 84 9.339 -0.822 -4.138 609 HG21 VAL 84 HG21 VAL 84 8.249 -3.469 -2.521 610 HG22 VAL 84 HG22 VAL 84 7.471 -4.475 -3.744 611 HG23 VAL 84 HG23 VAL 84 9.230 -4.404 -3.650 612 H TYR 85 H TYR 85 5.506 -2.658 -2.500 613 HA TYR 85 HA TYR 85 6.319 -0.704 -0.476 614 HB2 TYR 85 HB3 TYR 85 4.292 -1.120 0.597 615 HB3 TYR 85 HB2 TYR 85 3.867 -1.264 -1.080 616 HD1 TYR 85 HD2 TYR 85 4.489 -3.139 2.019 617 HD2 TYR 85 HD1 TYR 85 3.173 -3.371 -2.017 618 HE1 TYR 85 HE2 TYR 85 3.600 -5.392 2.443 619 HE2 TYR 85 HE1 TYR 85 2.285 -5.625 -1.606 620 HH TYR 85 HH TYR 85 2.287 -7.039 1.624 621 H VAL 86 H VAL 86 7.060 -1.279 1.566 622 HA VAL 86 HA VAL 86 8.178 -4.002 1.732 623 HB VAL 86 HB VAL 86 9.036 -1.449 3.102 624 HG11 VAL 86 HG11 VAL 86 10.954 -2.877 3.912 625 HG12 VAL 86 HG12 VAL 86 9.393 -3.184 4.677 626 HG13 VAL 86 HG13 VAL 86 9.999 -4.283 3.434 627 HG21 VAL 86 HG21 VAL 86 9.984 -1.250 1.045 628 HG22 VAL 86 HG22 VAL 86 11.209 -2.273 1.801 629 HG23 VAL 86 HG23 VAL 86 9.986 -2.993 0.751 630 H VAL 87 H VAL 87 7.073 -5.352 2.977 631 HA VAL 87 HA VAL 87 5.042 -4.636 4.761 632 HB VAL 87 HB VAL 87 6.687 -7.159 4.985 633 HG11 VAL 87 HG11 VAL 87 5.136 -6.942 6.777 634 HG12 VAL 87 HG12 VAL 87 3.842 -6.440 5.681 635 HG13 VAL 87 HG13 VAL 87 4.448 -8.097 5.635 636 HG21 VAL 87 HG21 VAL 87 5.986 -7.859 2.997 637 HG22 VAL 87 HG22 VAL 87 4.311 -7.459 3.390 638 HG23 VAL 87 HG23 VAL 87 5.370 -6.236 2.686 639 H ASN 88 H ASN 88 4.939 -4.781 7.070 640 HA ASN 88 HA ASN 88 7.476 -4.664 8.519 641 HB2 ASN 88 HB3 ASN 88 6.627 -2.311 7.755 642 HB3 ASN 88 HB2 ASN 88 5.454 -2.511 9.055 643 HD21 ASN 88 HD21 ASN 88 6.395 -0.711 10.093 644 HD22 ASN 88 HD22 ASN 88 7.884 -0.874 10.978 645 H TYR 89 H TYR 89 6.839 -6.627 9.458 646 HA TYR 89 HA TYR 89 4.329 -6.919 10.805 647 HB2 TYR 89 HB3 TYR 89 6.856 -8.566 11.070 648 HB3 TYR 89 HB2 TYR 89 5.250 -9.036 11.624 649 HD1 TYR 89 HD2 TYR 89 3.445 -8.571 9.519 650 HD2 TYR 89 HD1 TYR 89 7.519 -9.772 9.228 651 HE1 TYR 89 HE2 TYR 89 2.981 -9.584 7.329 652 HE2 TYR 89 HE1 TYR 89 7.067 -10.789 7.034 653 HH TYR 89 HH TYR 89 3.844 -11.162 5.808 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -40.969 9.003 -19.439 2 H2 MET 1 H2 MET 1 -40.700 9.529 -20.984 3 H3 MET 1 H3 MET 1 -39.994 8.132 -20.452 4 HA MET 1 HA MET 1 -38.641 10.246 -20.591 5 HB2 MET 1 HB3 MET 1 -39.912 10.536 -17.863 6 HB3 MET 1 HB2 MET 1 -38.725 11.604 -18.608 7 HG2 MET 1 HG3 MET 1 -41.509 11.156 -19.667 8 HG3 MET 1 HG2 MET 1 -41.042 12.489 -18.610 9 HE1 MET 1 HE1 MET 1 -41.667 13.665 -22.438 10 HE2 MET 1 HE2 MET 1 -41.858 11.917 -22.273 11 HE3 MET 1 HE3 MET 1 -42.535 13.002 -21.052 12 H ALA 2 H ALA 2 -36.954 10.484 -18.600 13 HA ALA 2 HA ALA 2 -35.998 7.764 -18.196 14 HB1 ALA 2 HB1 ALA 2 -33.923 8.642 -18.076 15 HB2 ALA 2 HB2 ALA 2 -33.925 8.645 -18.029 16 HB3 ALA 2 HB3 ALA 2 -34.464 10.030 -17.086 17 H GLY 3 H GLY 3 -36.423 6.641 -16.418 18 HA2 GLY 3 HA3 GLY 3 -37.491 7.999 -14.070 19 HA3 GLY 3 HA2 GLY 3 -37.420 6.261 -14.333 20 H SER 4 H SER 4 -35.135 5.341 -14.351 21 HA SER 4 HA SER 4 -33.851 6.211 -11.905 22 HB2 SER 4 HB3 SER 4 -33.108 3.948 -13.779 23 HB3 SER 4 HB2 SER 4 -32.488 4.196 -12.144 24 HG SER 4 HG SER 4 -34.816 3.050 -12.959 25 H HIS 5 H HIS 5 -32.290 7.669 -11.843 26 HA HIS 5 HA HIS 5 -30.430 7.848 -14.126 27 HB2 HIS 5 HB3 HIS 5 -32.240 9.732 -13.862 28 HB3 HIS 5 HB2 HIS 5 -31.181 10.303 -12.574 29 HD1 HIS 5 HD1 HIS 5 -30.043 8.863 -15.889 30 HD2 HIS 5 HD2 HIS 5 -30.099 12.479 -13.830 31 HE1 HIS 5 HE1 HIS 5 -28.661 10.452 -17.271 32 HE2 HIS 5 HE2 HIS 5 -28.698 12.665 -16.007 33 H HIS 6 H HIS 6 -28.386 9.026 -13.533 34 HA HIS 6 HA HIS 6 -26.454 8.995 -12.315 35 HB2 HIS 6 HB3 HIS 6 -28.515 9.798 -10.271 36 HB3 HIS 6 HB2 HIS 6 -26.812 9.659 -9.839 37 HD1 HIS 6 HD1 HIS 6 -25.241 11.504 -10.610 38 HD2 HIS 6 HD2 HIS 6 -29.117 11.917 -12.065 39 HE1 HIS 6 HE1 HIS 6 -25.344 13.808 -11.621 40 HE2 HIS 6 HE2 HIS 6 -27.718 14.058 -12.512 41 H HIS 7 H HIS 7 -27.311 6.473 -12.812 42 HA HIS 7 HA HIS 7 -27.396 4.940 -10.353 43 HB2 HIS 7 HB3 HIS 7 -28.639 4.314 -12.466 44 HB3 HIS 7 HB2 HIS 7 -27.081 3.892 -13.173 45 HD1 HIS 7 HD1 HIS 7 -26.239 1.584 -12.735 46 HD2 HIS 7 HD2 HIS 7 -29.306 2.672 -10.141 47 HE1 HIS 7 HE1 HIS 7 -26.795 -0.497 -11.429 48 HE2 HIS 7 HE2 HIS 7 -28.672 0.173 -9.843 49 H HIS 8 H HIS 8 -25.197 5.043 -13.168 50 HA HIS 8 HA HIS 8 -23.174 3.480 -11.978 51 HB2 HIS 8 HB3 HIS 8 -21.792 4.123 -13.818 52 HB3 HIS 8 HB2 HIS 8 -23.436 3.990 -14.439 53 HD1 HIS 8 HD1 HIS 8 -24.422 6.816 -13.471 54 HD2 HIS 8 HD2 HIS 8 -20.898 6.059 -15.547 55 HE1 HIS 8 HE1 HIS 8 -23.825 8.984 -14.604 56 HE2 HIS 8 HE2 HIS 8 -21.665 8.517 -15.873 57 H HIS 9 H HIS 9 -20.832 4.519 -11.865 58 HA HIS 9 HA HIS 9 -20.796 7.134 -10.613 59 HB2 HIS 9 HB3 HIS 9 -20.573 4.599 -9.058 60 HB3 HIS 9 HB2 HIS 9 -19.494 5.921 -8.620 61 HD1 HIS 9 HD1 HIS 9 -20.690 8.196 -7.885 62 HD2 HIS 9 HD2 HIS 9 -23.142 4.844 -8.139 63 HE1 HIS 9 HE1 HIS 9 -22.785 8.790 -6.619 64 HE2 HIS 9 HE2 HIS 9 -24.283 6.735 -6.777 65 H HIS 10 H HIS 10 -18.567 7.794 -10.017 66 HA HIS 10 HA HIS 10 -16.388 6.241 -11.123 67 HB2 HIS 10 HB3 HIS 10 -15.676 7.912 -12.746 68 HB3 HIS 10 HB2 HIS 10 -17.307 7.361 -13.127 69 HD1 HIS 10 HD1 HIS 10 -15.359 10.369 -12.651 70 HD2 HIS 10 HD2 HIS 10 -19.350 9.288 -12.183 71 HE1 HIS 10 HE1 HIS 10 -16.646 12.533 -12.590 72 HE2 HIS 10 HE2 HIS 10 -19.089 11.865 -12.306 73 H GLY 11 H GLY 11 -14.399 6.839 -10.317 74 HA2 GLY 11 HA3 GLY 11 -14.476 9.009 -8.306 75 HA3 GLY 11 HA2 GLY 11 -13.485 7.564 -8.171 76 H SER 12 H SER 12 -13.883 10.634 -9.825 77 HA SER 12 HA SER 12 -11.558 10.469 -11.435 78 HB2 SER 12 HB3 SER 12 -13.084 12.869 -10.394 79 HB3 SER 12 HB2 SER 12 -11.789 12.959 -11.592 80 HG SER 12 HG SER 12 -13.092 11.475 -12.870 81 H MET 13 H MET 13 -12.150 12.118 -8.328 82 HA MET 13 HA MET 13 -9.408 12.858 -7.993 83 HB2 MET 13 HB3 MET 13 -11.764 12.814 -6.106 84 HB3 MET 13 HB2 MET 13 -10.163 13.366 -5.623 85 HG2 MET 13 HG3 MET 13 -10.311 15.001 -7.564 86 HG3 MET 13 HG2 MET 13 -12.023 14.579 -7.642 87 HE1 MET 13 HE1 MET 13 -9.867 17.525 -5.338 88 HE2 MET 13 HE2 MET 13 -9.552 16.092 -4.355 89 HE3 MET 13 HE3 MET 13 -9.175 16.081 -6.081 90 H SER 14 H SER 14 -11.405 10.168 -6.940 91 HA SER 14 HA SER 14 -9.551 9.108 -5.059 92 HB2 SER 14 HB3 SER 14 -11.584 7.455 -6.548 93 HB3 SER 14 HB2 SER 14 -10.996 7.252 -4.895 94 HG SER 14 HG SER 14 -12.778 9.196 -5.916 95 H GLU 15 H GLU 15 -7.841 7.799 -5.310 96 HA GLU 15 HA GLU 15 -7.321 6.743 -8.024 97 HB2 GLU 15 HB3 GLU 15 -5.859 8.697 -6.997 98 HB3 GLU 15 HB2 GLU 15 -5.073 7.368 -6.153 99 HG2 GLU 15 HG3 GLU 15 -4.300 6.402 -8.129 100 HG3 GLU 15 HG2 GLU 15 -5.449 7.296 -9.126 101 H TYR 16 H TYR 16 -6.277 4.730 -8.180 102 HA TYR 16 HA TYR 16 -6.849 2.965 -5.945 103 HB2 TYR 16 HB3 TYR 16 -6.201 1.166 -7.543 104 HB3 TYR 16 HB2 TYR 16 -7.488 2.200 -8.147 105 HD1 TYR 16 HD1 TYR 16 -3.825 1.602 -8.366 106 HD2 TYR 16 HD2 TYR 16 -7.266 3.312 -10.201 107 HE1 TYR 16 HE1 TYR 16 -2.521 2.034 -10.406 108 HE2 TYR 16 HE2 TYR 16 -5.968 3.746 -12.245 109 HH TYR 16 HH TYR 16 -3.569 4.070 -12.868 110 H ILE 17 H ILE 17 -5.268 1.352 -5.221 111 HA ILE 17 HA ILE 17 -2.579 2.548 -5.066 112 HB ILE 17 HB ILE 17 -3.576 2.321 -2.895 113 HG12 ILE 17 HG13 ILE 17 -1.558 0.125 -3.372 114 HG13 ILE 17 HG12 ILE 17 -1.185 1.795 -3.047 115 HG21 ILE 17 HG21 ILE 17 -5.077 0.747 -2.466 116 HG22 ILE 17 HG22 ILE 17 -4.718 -0.030 -4.003 117 HG23 ILE 17 HG23 ILE 17 -3.818 -0.482 -2.560 118 HD11 ILE 17 HD11 ILE 17 -0.849 0.621 -1.034 119 HD12 ILE 17 HD12 ILE 17 -2.352 1.524 -0.842 120 HD13 ILE 17 HD13 ILE 17 -2.398 -0.207 -1.179 121 H ARG 18 H ARG 18 -0.969 1.592 -6.106 122 HA ARG 18 HA ARG 18 -1.229 -1.280 -6.753 123 HB2 ARG 18 HB3 ARG 18 -0.384 1.041 -8.428 124 HB3 ARG 18 HB2 ARG 18 0.401 -0.502 -8.691 125 HG2 ARG 18 HG3 ARG 18 -2.036 -1.412 -8.798 126 HG3 ARG 18 HG2 ARG 18 -2.432 0.273 -9.141 127 HD2 ARG 18 HD3 ARG 18 -2.114 -0.574 -11.262 128 HD3 ARG 18 HD2 ARG 18 -0.517 0.085 -10.892 129 HE ARG 18 HE ARG 18 -0.280 -2.465 -10.075 130 HH11 ARG 18 HH11 ARG 18 -1.477 -1.054 -13.030 131 HH12 ARG 18 HH12 ARG 18 -1.001 -2.398 -14.017 132 HH21 ARG 18 HH21 ARG 18 0.349 -4.238 -11.364 133 HH22 ARG 18 HH22 ARG 18 0.038 -4.207 -13.069 134 H VAL 19 H VAL 19 0.063 -2.269 -5.322 135 HA VAL 19 HA VAL 19 2.903 -1.630 -5.383 136 HB VAL 19 HB VAL 19 3.041 -1.771 -2.876 137 HG11 VAL 19 HG11 VAL 19 2.853 0.367 -4.461 138 HG12 VAL 19 HG12 VAL 19 1.429 0.643 -3.457 139 HG13 VAL 19 HG13 VAL 19 3.024 0.491 -2.709 140 HG21 VAL 19 HG21 VAL 19 1.046 -1.256 -1.580 141 HG22 VAL 19 HG22 VAL 19 0.074 -1.233 -3.053 142 HG23 VAL 19 HG23 VAL 19 0.811 -2.742 -2.504 143 H THR 20 H THR 20 4.251 -3.333 -4.688 144 HA THR 20 HA THR 20 2.859 -5.930 -4.428 145 HB THR 20 HB THR 20 3.903 -6.090 -6.504 146 HG1 THR 20 HG1 THR 20 5.614 -7.550 -6.143 147 HG21 THR 20 HG21 THR 20 6.487 -5.433 -6.553 148 HG22 THR 20 HG22 THR 20 5.960 -4.332 -5.280 149 HG23 THR 20 HG23 THR 20 5.212 -4.257 -6.874 150 H GLU 21 H GLU 21 3.899 -7.558 -3.155 151 HA GLU 21 HA GLU 21 4.934 -6.581 -0.710 152 HB2 GLU 21 HB3 GLU 21 3.933 -9.022 -1.683 153 HB3 GLU 21 HB2 GLU 21 5.548 -9.361 -1.129 154 HG2 GLU 21 HG3 GLU 21 4.696 -7.935 0.958 155 HG3 GLU 21 HG2 GLU 21 3.160 -8.584 0.402 156 H ASP 22 H ASP 22 6.456 -8.105 -3.514 157 HA ASP 22 HA ASP 22 9.045 -7.109 -2.561 158 HB2 ASP 22 HB3 ASP 22 8.829 -9.860 -3.763 159 HB3 ASP 22 HB2 ASP 22 10.175 -9.153 -2.868 160 H GLU 23 H GLU 23 10.736 -7.274 -4.332 161 HA GLU 23 HA GLU 23 9.636 -6.091 -6.713 162 HB2 GLU 23 HB3 GLU 23 11.967 -5.823 -7.407 163 HB3 GLU 23 HB2 GLU 23 11.731 -5.269 -5.753 164 HG2 GLU 23 HG3 GLU 23 12.572 -7.537 -5.011 165 HG3 GLU 23 HG2 GLU 23 13.053 -7.801 -6.690 166 H ASN 24 H ASN 24 10.645 -9.241 -5.740 167 HA ASN 24 HA ASN 24 11.257 -10.320 -8.288 168 HB2 ASN 24 HB3 ASN 24 10.120 -11.881 -5.967 169 HB3 ASN 24 HB2 ASN 24 11.203 -12.454 -7.234 170 HD21 ASN 24 HD21 ASN 24 11.033 -11.520 -4.091 171 HD22 ASN 24 HD22 ASN 24 12.695 -11.091 -3.825 172 H ASP 25 H ASP 25 8.277 -9.660 -6.640 173 HA ASP 25 HA ASP 25 6.749 -11.218 -8.605 174 HB2 ASP 25 HB3 ASP 25 6.372 -11.060 -5.955 175 HB3 ASP 25 HB2 ASP 25 5.376 -9.692 -6.450 176 H GLU 26 H GLU 26 4.461 -9.929 -8.925 177 HA GLU 26 HA GLU 26 5.275 -7.431 -10.252 178 HB2 GLU 26 HB3 GLU 26 3.079 -9.418 -10.775 179 HB3 GLU 26 HB2 GLU 26 2.993 -7.789 -11.431 180 HG2 GLU 26 HG3 GLU 26 3.987 -8.834 -13.178 181 HG3 GLU 26 HG2 GLU 26 5.429 -8.374 -12.270 182 HA PRO 27 HA PRO 27 2.826 -4.902 -7.633 183 HB2 PRO 27 HB3 PRO 27 1.892 -3.049 -9.367 184 HB3 PRO 27 HB2 PRO 27 3.570 -3.101 -8.851 185 HG2 PRO 27 HG3 PRO 27 2.339 -4.136 -11.378 186 HG3 PRO 27 HG2 PRO 27 3.861 -3.252 -11.157 187 HD2 PRO 27 HD3 PRO 27 3.769 -5.938 -11.486 188 HD3 PRO 27 HD2 PRO 27 5.005 -5.140 -10.491 189 H ILE 28 H ILE 28 0.902 -5.276 -6.744 190 HA ILE 28 HA ILE 28 -1.292 -6.214 -8.459 191 HB ILE 28 HB ILE 28 -0.826 -7.707 -6.643 192 HG12 ILE 28 HG13 ILE 28 -2.992 -7.701 -5.457 193 HG13 ILE 28 HG12 ILE 28 -3.288 -6.057 -6.011 194 HG21 ILE 28 HG21 ILE 28 0.364 -6.252 -5.151 195 HG22 ILE 28 HG22 ILE 28 -1.086 -5.289 -4.861 196 HG23 ILE 28 HG23 ILE 28 -1.001 -6.951 -4.278 197 HD11 ILE 28 HD11 ILE 28 -3.180 -6.920 -8.354 198 HD12 ILE 28 HD12 ILE 28 -3.121 -8.551 -7.681 199 HD13 ILE 28 HD13 ILE 28 -4.531 -7.526 -7.397 200 H GLU 29 H GLU 29 -3.068 -5.036 -8.810 201 HA GLU 29 HA GLU 29 -3.248 -2.414 -7.513 202 HB2 GLU 29 HB3 GLU 29 -4.841 -1.855 -9.295 203 HB3 GLU 29 HB2 GLU 29 -3.315 -2.443 -9.951 204 HG2 GLU 29 HG3 GLU 29 -4.373 -4.690 -10.210 205 HG3 GLU 29 HG2 GLU 29 -5.908 -3.952 -9.750 206 H ILE 30 H ILE 30 -4.617 -2.066 -5.907 207 HA ILE 30 HA ILE 30 -7.031 -3.757 -5.721 208 HB ILE 30 HB ILE 30 -6.658 -3.190 -3.133 209 HG12 ILE 30 HG13 ILE 30 -3.828 -3.733 -3.952 210 HG13 ILE 30 HG12 ILE 30 -4.412 -2.086 -3.942 211 HG21 ILE 30 HG21 ILE 30 -5.937 -5.433 -2.841 212 HG22 ILE 30 HG22 ILE 30 -6.953 -5.411 -4.283 213 HG23 ILE 30 HG23 ILE 30 -5.196 -5.473 -4.442 214 HD11 ILE 30 HD11 ILE 30 -4.916 -2.205 -1.608 215 HD12 ILE 30 HD12 ILE 30 -4.531 -3.928 -1.576 216 HD13 ILE 30 HD13 ILE 30 -3.255 -2.744 -1.868 217 HA PRO 31 HA PRO 31 -9.406 -0.096 -5.268 218 HB2 PRO 31 HB3 PRO 31 -11.280 -0.846 -3.450 219 HB3 PRO 31 HB2 PRO 31 -11.265 -1.439 -5.117 220 HG2 PRO 31 HG3 PRO 31 -10.265 -2.764 -2.623 221 HG3 PRO 31 HG2 PRO 31 -11.195 -3.460 -3.965 222 HD2 PRO 31 HD3 PRO 31 -8.519 -3.789 -3.722 223 HD3 PRO 31 HD2 PRO 31 -9.330 -3.698 -5.300 224 H SER 32 H SER 32 -9.568 1.755 -4.061 225 HA SER 32 HA SER 32 -8.583 1.649 -1.284 226 HB2 SER 32 HB3 SER 32 -6.980 3.236 -1.627 227 HB3 SER 32 HB2 SER 32 -7.028 2.602 -3.272 228 HG SER 32 HG SER 32 -8.682 4.283 -3.636 229 H GLU 33 H GLU 33 -8.954 3.960 -0.266 230 HA GLU 33 HA GLU 33 -11.804 4.374 -0.357 231 HB2 GLU 33 HB3 GLU 33 -9.543 5.424 1.297 232 HB3 GLU 33 HB2 GLU 33 -11.073 6.292 1.302 233 HG2 GLU 33 HG3 GLU 33 -10.791 3.364 1.943 234 HG3 GLU 33 HG2 GLU 33 -10.805 4.651 3.151 235 H ASP 34 H ASP 34 -12.695 6.636 -0.425 236 HA ASP 34 HA ASP 34 -11.966 7.837 -2.915 237 HB2 ASP 34 HB3 ASP 34 -13.837 9.248 -2.616 238 HB3 ASP 34 HB2 ASP 34 -14.300 7.717 -1.875 239 H ASP 35 H ASP 35 -11.201 8.443 0.418 240 HA ASP 35 HA ASP 35 -10.295 11.134 0.054 241 HB2 ASP 35 HB3 ASP 35 -10.982 9.783 2.239 242 HB3 ASP 35 HB2 ASP 35 -9.251 9.440 2.278 243 H GLY 36 H GLY 36 -8.970 8.045 -0.589 244 HA2 GLY 36 HA3 GLY 36 -7.008 8.088 -2.081 245 HA3 GLY 36 HA2 GLY 36 -6.316 9.288 -1.021 246 H THR 37 H THR 37 -7.619 7.532 1.219 247 HA THR 37 HA THR 37 -5.194 6.048 1.748 248 HB THR 37 HB THR 37 -6.072 5.602 3.902 249 HG1 THR 37 HG1 THR 37 -8.634 6.577 3.206 250 HG21 THR 37 HG21 THR 37 -6.306 7.732 4.730 251 HG22 THR 37 HG22 THR 37 -7.409 8.227 3.442 252 HG23 THR 37 HG23 THR 37 -5.676 8.095 3.120 253 H VAL 38 H VAL 38 -5.957 3.799 3.030 254 HA VAL 38 HA VAL 38 -7.613 2.256 1.158 255 HB VAL 38 HB VAL 38 -4.771 1.582 1.918 256 HG11 VAL 38 HG11 VAL 38 -5.494 -0.469 0.341 257 HG12 VAL 38 HG12 VAL 38 -5.572 -0.522 2.103 258 HG13 VAL 38 HG13 VAL 38 -7.026 -0.173 1.164 259 HG21 VAL 38 HG21 VAL 38 -4.272 1.725 -0.343 260 HG22 VAL 38 HG22 VAL 38 -5.959 1.551 -0.833 261 HG23 VAL 38 HG23 VAL 38 -5.399 3.059 -0.110 262 H LEU 39 H LEU 39 -9.100 1.216 2.293 263 HA LEU 39 HA LEU 39 -9.164 1.026 5.071 264 HB2 LEU 39 HB3 LEU 39 -10.591 -0.407 2.868 265 HB3 LEU 39 HB2 LEU 39 -10.830 -0.907 4.542 266 HG LEU 39 HG LEU 39 -11.262 1.945 3.719 267 HD11 LEU 39 HD11 LEU 39 -12.990 -0.414 3.173 268 HD12 LEU 39 HD12 LEU 39 -12.749 1.058 2.229 269 HD13 LEU 39 HD13 LEU 39 -13.754 1.096 3.678 270 HD21 LEU 39 HD21 LEU 39 -11.794 0.235 6.061 271 HD22 LEU 39 HD22 LEU 39 -13.091 1.342 5.610 272 HD23 LEU 39 HD23 LEU 39 -11.480 1.970 5.963 273 H LEU 40 H LEU 40 -8.564 -0.485 6.551 274 HA LEU 40 HA LEU 40 -6.363 -2.128 6.026 275 HB2 LEU 40 HB3 LEU 40 -6.958 -1.313 8.252 276 HB3 LEU 40 HB2 LEU 40 -8.391 -2.340 8.252 277 HG LEU 40 HG LEU 40 -7.034 -4.328 8.349 278 HD11 LEU 40 HD11 LEU 40 -5.091 -4.168 7.228 279 HD12 LEU 40 HD12 LEU 40 -4.453 -3.669 8.796 280 HD13 LEU 40 HD13 LEU 40 -4.894 -2.452 7.597 281 HD21 LEU 40 HD21 LEU 40 -6.621 -4.172 10.554 282 HD22 LEU 40 HD22 LEU 40 -7.354 -2.575 10.388 283 HD23 LEU 40 HD23 LEU 40 -5.597 -2.746 10.373 284 H SER 41 H SER 41 -9.724 -2.685 5.540 285 HA SER 41 HA SER 41 -9.734 -5.518 5.654 286 HB2 SER 41 HB3 SER 41 -11.709 -3.766 5.547 287 HB3 SER 41 HB2 SER 41 -11.569 -4.036 3.807 288 HG SER 41 HG SER 41 -12.851 -5.657 4.286 289 H THR 42 H THR 42 -8.970 -3.206 3.126 290 HA THR 42 HA THR 42 -8.803 -5.226 1.064 291 HB THR 42 HB THR 42 -7.720 -2.413 0.898 292 HG1 THR 42 HG1 THR 42 -9.817 -2.064 1.417 293 HG21 THR 42 HG21 THR 42 -7.090 -3.932 -0.918 294 HG22 THR 42 HG22 THR 42 -8.196 -2.684 -1.489 295 HG23 THR 42 HG23 THR 42 -8.792 -4.316 -1.192 296 H VAL 43 H VAL 43 -6.614 -3.541 3.223 297 HA VAL 43 HA VAL 43 -4.183 -4.221 1.940 298 HB VAL 43 HB VAL 43 -4.855 -3.516 4.795 299 HG11 VAL 43 HG11 VAL 43 -2.287 -3.268 4.981 300 HG12 VAL 43 HG12 VAL 43 -3.005 -4.873 5.162 301 HG13 VAL 43 HG13 VAL 43 -2.239 -4.412 3.637 302 HG21 VAL 43 HG21 VAL 43 -4.885 -1.523 3.732 303 HG22 VAL 43 HG22 VAL 43 -3.135 -1.639 3.913 304 HG23 VAL 43 HG23 VAL 43 -3.894 -2.099 2.389 305 H THR 44 H THR 44 -6.217 -5.928 4.246 306 HA THR 44 HA THR 44 -4.286 -8.038 4.666 307 HB THR 44 HB THR 44 -5.981 -9.113 6.016 308 HG1 THR 44 HG1 THR 44 -8.019 -8.828 5.547 309 HG21 THR 44 HG21 THR 44 -6.722 -6.557 7.034 310 HG22 THR 44 HG22 THR 44 -5.063 -6.457 6.439 311 HG23 THR 44 HG23 THR 44 -5.499 -7.672 7.644 312 H ALA 45 H ALA 45 -6.587 -7.291 2.290 313 HA ALA 45 HA ALA 45 -7.471 -9.871 1.553 314 HB1 ALA 45 HB1 ALA 45 -8.347 -7.546 0.826 315 HB2 ALA 45 HB2 ALA 45 -8.372 -7.581 0.825 316 HB3 ALA 45 HB3 ALA 45 -8.357 -8.880 -0.363 317 H GLN 46 H GLN 46 -4.747 -7.890 0.413 318 HA GLN 46 HA GLN 46 -3.677 -10.286 -0.936 319 HB2 GLN 46 HB3 GLN 46 -2.890 -7.432 -1.520 320 HB3 GLN 46 HB2 GLN 46 -2.558 -8.861 -2.478 321 HG2 GLN 46 HG3 GLN 46 -5.287 -7.686 -2.006 322 HG3 GLN 46 HG2 GLN 46 -4.310 -7.450 -3.455 323 HE21 GLN 46 HE21 GLN 46 -3.330 -9.910 -3.961 324 HE22 GLN 46 HE22 GLN 46 -4.619 -11.025 -4.291 325 H PHE 47 H PHE 47 -3.152 -7.914 1.502 326 HA PHE 47 HA PHE 47 -0.483 -9.067 2.011 327 HB2 PHE 47 HB3 PHE 47 -1.143 -6.245 2.780 328 HB3 PHE 47 HB2 PHE 47 0.416 -6.978 2.548 329 HD1 PHE 47 HD1 PHE 47 0.283 -8.174 -0.068 330 HD2 PHE 47 HD2 PHE 47 -1.365 -4.494 1.302 331 HE1 PHE 47 HE1 PHE 47 0.347 -7.296 -2.363 332 HE2 PHE 47 HE2 PHE 47 -1.303 -3.609 -0.993 333 HZ PHE 47 HZ PHE 47 -0.452 -5.006 -2.829 334 HA PRO 48 HA PRO 48 -3.238 -9.735 5.675 335 HB2 PRO 48 HB3 PRO 48 -2.423 -12.292 6.102 336 HB3 PRO 48 HB2 PRO 48 -3.728 -11.869 4.986 337 HG2 PRO 48 HG3 PRO 48 -0.856 -12.483 4.399 338 HG3 PRO 48 HG2 PRO 48 -2.311 -13.017 3.543 339 HD2 PRO 48 HD3 PRO 48 -0.766 -10.984 2.651 340 HD3 PRO 48 HD2 PRO 48 -2.523 -11.030 2.392 341 H GLY 49 H GLY 49 -2.556 -9.143 7.638 342 HA2 GLY 49 HA3 GLY 49 -1.205 -9.089 9.529 343 HA3 GLY 49 HA2 GLY 49 -0.036 -10.099 8.704 344 H ALA 50 H ALA 50 -0.874 -7.536 6.735 345 HA ALA 50 HA ALA 50 1.679 -6.237 7.252 346 HB1 ALA 50 HB1 ALA 50 -0.394 -5.922 5.085 347 HB2 ALA 50 HB2 ALA 50 -0.381 -5.967 5.085 348 HB3 ALA 50 HB3 ALA 50 1.257 -6.594 4.967 349 H CYS 51 H CYS 51 1.781 -4.735 8.778 350 HA CYS 51 HA CYS 51 -0.573 -3.059 9.304 351 HB2 CYS 51 HB3 CYS 51 0.833 -4.351 11.105 352 HB3 CYS 51 HB2 CYS 51 1.921 -2.982 10.962 353 HG CYS 51 HG CYS 51 -0.266 -1.145 11.511 354 H GLY 52 H GLY 52 2.957 -2.711 8.903 355 HA2 GLY 52 HA3 GLY 52 2.461 0.049 7.977 356 HA3 GLY 52 HA2 GLY 52 3.899 -0.436 8.821 357 H LEU 53 H LEU 53 3.095 0.642 5.997 358 HA LEU 53 HA LEU 53 4.869 -1.203 4.528 359 HB2 LEU 53 HB3 LEU 53 2.660 0.415 3.279 360 HB3 LEU 53 HB2 LEU 53 3.622 -0.854 2.534 361 HG LEU 53 HG LEU 53 1.408 -1.135 4.543 362 HD11 LEU 53 HD11 LEU 53 1.818 -1.739 1.682 363 HD12 LEU 53 HD12 LEU 53 0.355 -1.251 2.545 364 HD13 LEU 53 HD13 LEU 53 0.912 -2.925 2.624 365 HD21 LEU 53 HD21 LEU 53 3.732 -2.863 4.107 366 HD22 LEU 53 HD22 LEU 53 2.175 -3.685 4.002 367 HD23 LEU 53 HD23 LEU 53 2.605 -2.794 5.461 368 H ARG 54 H ARG 54 6.476 -0.320 3.306 369 HA ARG 54 HA ARG 54 6.813 2.598 3.547 370 HB2 ARG 54 HB3 ARG 54 8.875 0.431 3.132 371 HB3 ARG 54 HB2 ARG 54 9.229 2.137 3.186 372 HG2 ARG 54 HG3 ARG 54 8.625 2.297 5.473 373 HG3 ARG 54 HG2 ARG 54 7.922 0.677 5.461 374 HD2 ARG 54 HD3 ARG 54 10.383 0.031 4.699 375 HD3 ARG 54 HD2 ARG 54 10.771 1.523 5.559 376 HE ARG 54 HE ARG 54 9.909 -0.981 6.707 377 HH11 ARG 54 HH11 ARG 54 10.156 2.468 7.161 378 HH12 ARG 54 HH12 ARG 54 10.120 2.374 8.892 379 HH21 ARG 54 HH21 ARG 54 9.860 -1.115 8.984 380 HH22 ARG 54 HH22 ARG 54 9.952 0.337 9.928 381 H TYR 55 H TYR 55 8.249 3.507 1.718 382 HA TYR 55 HA TYR 55 7.115 2.554 -0.830 383 HB2 TYR 55 HB3 TYR 55 7.875 5.262 0.186 384 HB3 TYR 55 HB2 TYR 55 7.911 4.959 -1.538 385 HD1 TYR 55 HD2 TYR 55 5.584 3.223 -1.928 386 HD2 TYR 55 HD1 TYR 55 6.038 6.637 0.563 387 HE1 TYR 55 HE2 TYR 55 3.164 3.624 -2.055 388 HE2 TYR 55 HE1 TYR 55 3.618 7.048 0.448 389 HH TYR 55 HH TYR 55 1.699 6.186 -1.608 390 H ARG 56 H ARG 56 8.423 1.682 -2.285 391 HA ARG 56 HA ARG 56 11.297 2.330 -2.175 392 HB2 ARG 56 HB3 ARG 56 10.750 0.075 -1.174 393 HB3 ARG 56 HB2 ARG 56 10.202 -0.423 -2.772 394 HG2 ARG 56 HG3 ARG 56 12.919 0.740 -2.584 395 HG3 ARG 56 HG2 ARG 56 12.672 -0.863 -1.886 396 HD2 ARG 56 HD3 ARG 56 12.240 -1.832 -3.909 397 HD3 ARG 56 HD2 ARG 56 11.576 -0.350 -4.599 398 HE ARG 56 HE ARG 56 13.682 0.242 -5.304 399 HH11 ARG 56 HH11 ARG 56 13.900 -2.411 -3.052 400 HH12 ARG 56 HH12 ARG 56 15.584 -2.697 -3.351 401 HH21 ARG 56 HH21 ARG 56 15.897 -0.126 -5.704 402 HH22 ARG 56 HH22 ARG 56 16.719 -1.396 -4.858 403 H ASN 57 H ASN 57 11.714 3.419 -3.981 404 HA ASN 57 HA ASN 57 10.857 2.254 -6.534 405 HB2 ASN 57 HB3 ASN 57 9.563 4.433 -5.519 406 HB3 ASN 57 HB2 ASN 57 10.807 5.194 -6.482 407 HD21 ASN 57 HD21 ASN 57 9.080 5.989 -7.800 408 HD22 ASN 57 HD22 ASN 57 8.372 4.963 -9.009 409 HA PRO 58 HA PRO 58 15.209 2.942 -7.194 410 HB2 PRO 58 HB3 PRO 58 15.279 1.844 -9.679 411 HB3 PRO 58 HB2 PRO 58 15.226 0.879 -8.207 412 HG2 PRO 58 HG3 PRO 58 13.002 1.618 -10.061 413 HG3 PRO 58 HG2 PRO 58 13.344 0.055 -9.293 414 HD2 PRO 58 HD3 PRO 58 11.461 1.760 -8.355 415 HD3 PRO 58 HD2 PRO 58 12.393 0.702 -7.289 416 H VAL 59 H VAL 59 12.576 4.038 -9.193 417 HA VAL 59 HA VAL 59 14.271 5.740 -10.823 418 HB VAL 59 HB VAL 59 12.133 6.530 -11.817 419 HG11 VAL 59 HG11 VAL 59 11.560 4.415 -12.919 420 HG12 VAL 59 HG12 VAL 59 13.309 4.625 -12.780 421 HG13 VAL 59 HG13 VAL 59 12.461 3.530 -11.683 422 HG21 VAL 59 HG21 VAL 59 10.267 6.340 -10.621 423 HG22 VAL 59 HG22 VAL 59 10.319 4.597 -10.910 424 HG23 VAL 59 HG23 VAL 59 11.057 5.270 -9.458 425 H SER 60 H SER 60 12.189 6.002 -8.029 426 HA SER 60 HA SER 60 12.245 8.902 -8.047 427 HB2 SER 60 HB3 SER 60 11.205 7.061 -5.886 428 HB3 SER 60 HB2 SER 60 10.843 8.777 -6.087 429 HG SER 60 HG SER 60 9.712 8.300 -7.955 430 H GLN 61 H GLN 61 13.918 6.253 -6.527 431 HA GLN 61 HA GLN 61 15.722 6.157 -5.142 432 HB2 GLN 61 HB3 GLN 61 16.212 9.053 -5.837 433 HB3 GLN 61 HB2 GLN 61 17.394 7.844 -5.349 434 HG2 GLN 61 HG3 GLN 61 16.702 6.604 -7.492 435 HG3 GLN 61 HG2 GLN 61 15.975 8.138 -7.970 436 HE21 GLN 61 HE21 GLN 61 18.227 6.645 -9.117 437 HE22 GLN 61 HE22 GLN 61 19.571 7.744 -9.111 438 H CYS 62 H CYS 62 13.068 7.244 -4.212 439 HA CYS 62 HA CYS 62 13.900 8.928 -1.964 440 HB2 CYS 62 HB3 CYS 62 11.236 8.179 -3.144 441 HB3 CYS 62 HB2 CYS 62 11.341 8.869 -1.527 442 HG CYS 62 HG CYS 62 13.063 10.647 -3.747 443 H MET 63 H MET 63 12.977 8.411 0.204 444 HA MET 63 HA MET 63 12.906 5.494 0.658 445 HB2 MET 63 HB3 MET 63 15.039 6.802 1.362 446 HB3 MET 63 HB2 MET 63 14.037 7.412 2.676 447 HG2 MET 63 HG3 MET 63 15.156 5.575 3.577 448 HG3 MET 63 HG2 MET 63 13.535 4.983 3.218 449 HE1 MET 63 HE1 MET 63 15.407 1.985 3.002 450 HE2 MET 63 HE2 MET 63 16.934 2.863 2.885 451 HE3 MET 63 HE3 MET 63 15.691 3.401 4.019 452 H ARG 64 H ARG 64 10.775 7.584 0.364 453 HA ARG 64 HA ARG 64 9.622 8.183 2.852 454 HB2 ARG 64 HB3 ARG 64 9.034 8.809 0.278 455 HB3 ARG 64 HB2 ARG 64 7.765 7.643 0.625 456 HG2 ARG 64 HG3 ARG 64 7.581 9.172 2.825 457 HG3 ARG 64 HG2 ARG 64 8.177 10.368 1.669 458 HD2 ARG 64 HD3 ARG 64 6.119 8.795 0.440 459 HD3 ARG 64 HD2 ARG 64 5.537 9.408 1.986 460 HE ARG 64 HE ARG 64 5.534 11.531 1.114 461 HH11 ARG 64 HH11 ARG 64 7.348 9.416 -0.982 462 HH12 ARG 64 HH12 ARG 64 7.497 10.587 -2.252 463 HH21 ARG 64 HH21 ARG 64 5.724 13.078 -0.551 464 HH22 ARG 64 HH22 ARG 64 6.574 12.669 -2.005 465 H GLY 65 H GLY 65 7.194 7.296 3.196 466 HA2 GLY 65 HA3 GLY 65 6.937 4.450 2.799 467 HA3 GLY 65 HA2 GLY 65 7.342 4.883 4.454 468 H VAL 66 H VAL 66 4.875 3.766 3.002 469 HA VAL 66 HA VAL 66 2.783 5.628 3.130 470 HB VAL 66 HB VAL 66 2.657 2.643 3.615 471 HG11 VAL 66 HG11 VAL 66 0.661 3.770 4.430 472 HG12 VAL 66 HG12 VAL 66 0.482 4.601 2.884 473 HG13 VAL 66 HG13 VAL 66 0.303 2.847 2.974 474 HG21 VAL 66 HG21 VAL 66 1.976 4.046 1.057 475 HG22 VAL 66 HG22 VAL 66 3.636 3.567 1.412 476 HG23 VAL 66 HG23 VAL 66 2.367 2.344 1.322 477 H ARG 67 H ARG 67 1.295 6.162 4.711 478 HA ARG 67 HA ARG 67 2.218 5.722 7.459 479 HB2 ARG 67 HB3 ARG 67 1.881 8.027 6.933 480 HB3 ARG 67 HB2 ARG 67 0.298 7.702 6.230 481 HG2 ARG 67 HG3 ARG 67 0.015 8.738 8.375 482 HG3 ARG 67 HG2 ARG 67 -0.525 7.057 8.470 483 HD2 ARG 67 HD3 ARG 67 1.978 6.673 9.232 484 HD3 ARG 67 HD2 ARG 67 1.856 8.373 9.686 485 HE ARG 67 HE ARG 67 -0.333 6.777 10.650 486 HH11 ARG 67 HH11 ARG 67 2.934 7.818 11.276 487 HH12 ARG 67 HH12 ARG 67 2.820 7.580 12.991 488 HH21 ARG 67 HH21 ARG 67 -0.494 6.461 12.902 489 HH22 ARG 67 HH22 ARG 67 0.871 6.807 13.914 490 H LEU 68 H LEU 68 1.029 4.708 9.001 491 HA LEU 68 HA LEU 68 -1.477 3.440 8.095 492 HB2 LEU 68 HB3 LEU 68 0.217 1.798 8.530 493 HB3 LEU 68 HB2 LEU 68 0.598 2.530 10.084 494 HG LEU 68 HG LEU 68 -0.795 0.332 9.972 495 HD11 LEU 68 HD11 LEU 68 -2.242 2.070 11.780 496 HD12 LEU 68 HD12 LEU 68 -0.505 2.370 11.832 497 HD13 LEU 68 HD13 LEU 68 -1.127 0.748 12.131 498 HD21 LEU 68 HD21 LEU 68 -3.150 2.141 9.933 499 HD22 LEU 68 HD22 LEU 68 -3.016 0.441 9.483 500 HD23 LEU 68 HD23 LEU 68 -2.436 1.692 8.388 501 H VAL 69 H VAL 69 -3.226 4.355 8.922 502 HA VAL 69 HA VAL 69 -3.143 5.240 11.739 503 HB VAL 69 HB VAL 69 -3.152 7.233 10.382 504 HG11 VAL 69 HG11 VAL 69 -4.850 7.700 8.723 505 HG12 VAL 69 HG12 VAL 69 -4.026 6.193 8.319 506 HG13 VAL 69 HG13 VAL 69 -5.635 6.154 9.045 507 HG21 VAL 69 HG21 VAL 69 -4.908 6.725 12.374 508 HG22 VAL 69 HG22 VAL 69 -4.731 8.299 11.594 509 HG23 VAL 69 HG23 VAL 69 -6.015 7.201 11.085 510 H GLU 70 H GLU 70 -4.642 4.351 12.998 511 HA GLU 70 HA GLU 70 -6.335 2.937 13.624 512 HB2 GLU 70 HB3 GLU 70 -8.528 3.670 12.979 513 HB3 GLU 70 HB2 GLU 70 -7.508 5.092 13.159 514 HG2 GLU 70 HG3 GLU 70 -7.399 5.459 10.860 515 HG3 GLU 70 HG2 GLU 70 -7.927 3.821 10.482 516 H GLY 71 H GLY 71 -4.637 1.945 11.485 517 HA2 GLY 71 HA3 GLY 71 -4.680 -0.167 10.456 518 HA3 GLY 71 HA2 GLY 71 -6.436 -0.145 10.526 519 H ILE 72 H ILE 72 -6.554 2.566 9.344 520 HA ILE 72 HA ILE 72 -6.550 1.725 6.582 521 HB ILE 72 HB ILE 72 -7.332 4.294 7.948 522 HG12 ILE 72 HG13 ILE 72 -9.521 3.501 6.663 523 HG13 ILE 72 HG12 ILE 72 -8.735 1.938 6.770 524 HG21 ILE 72 HG21 ILE 72 -8.182 4.996 5.688 525 HG22 ILE 72 HG22 ILE 72 -6.426 5.018 5.875 526 HG23 ILE 72 HG23 ILE 72 -7.206 3.695 5.000 527 HD11 ILE 72 HD11 ILE 72 -9.624 3.725 9.006 528 HD12 ILE 72 HD12 ILE 72 -10.152 2.082 8.634 529 HD13 ILE 72 HD13 ILE 72 -8.525 2.367 9.250 530 H LEU 73 H LEU 73 -4.756 1.731 5.411 531 HA LEU 73 HA LEU 73 -2.461 3.297 6.087 532 HB2 LEU 73 HB3 LEU 73 -3.180 1.494 3.803 533 HB3 LEU 73 HB2 LEU 73 -1.718 2.452 3.755 534 HG LEU 73 HG LEU 73 -1.215 0.202 4.478 535 HD11 LEU 73 HD11 LEU 73 -0.124 2.290 5.533 536 HD12 LEU 73 HD12 LEU 73 0.135 0.720 6.295 537 HD13 LEU 73 HD13 LEU 73 -1.041 1.849 6.968 538 HD21 LEU 73 HD21 LEU 73 -3.453 -0.317 5.391 539 HD22 LEU 73 HD22 LEU 73 -3.098 0.701 6.782 540 HD23 LEU 73 HD23 LEU 73 -2.145 -0.755 6.492 541 H HIS 74 H HIS 74 -2.529 5.441 5.861 542 HA HIS 74 HA HIS 74 -4.012 6.688 3.710 543 HB2 HIS 74 HB3 HIS 74 -3.661 7.547 6.154 544 HB3 HIS 74 HB2 HIS 74 -2.143 8.166 5.527 545 HD1 HIS 74 HD1 HIS 74 -2.922 9.313 2.858 546 HD2 HIS 74 HD2 HIS 74 -5.284 9.706 6.262 547 HE1 HIS 74 HE1 HIS 74 -4.378 11.326 2.446 548 HE2 HIS 74 HE2 HIS 74 -5.823 11.563 4.533 549 H ALA 75 H ALA 75 -3.218 7.617 1.894 550 HA ALA 75 HA ALA 75 -0.472 6.964 1.179 551 HB1 ALA 75 HB1 ALA 75 -1.562 6.536 -0.726 552 HB2 ALA 75 HB2 ALA 75 -1.528 6.562 -0.739 553 HB3 ALA 75 HB3 ALA 75 -1.555 8.305 -0.967 554 HA PRO 76 HA PRO 76 1.301 10.948 1.668 555 HB2 PRO 76 HB3 PRO 76 2.904 11.142 -0.520 556 HB3 PRO 76 HB2 PRO 76 3.258 10.069 0.843 557 HG2 PRO 76 HG3 PRO 76 2.016 9.427 -1.795 558 HG3 PRO 76 HG2 PRO 76 3.239 8.532 -0.902 559 HD2 PRO 76 HD3 PRO 76 0.629 7.814 -0.889 560 HD3 PRO 76 HD2 PRO 76 1.689 7.561 0.507 561 H ASP 77 H ASP 77 1.981 12.938 0.116 562 HA ASP 77 HA ASP 77 -0.537 13.956 -0.859 563 HB2 ASP 77 HB3 ASP 77 2.213 15.090 -0.463 564 HB3 ASP 77 HB2 ASP 77 1.051 15.962 -1.465 565 H ALA 78 H ALA 78 1.683 11.983 -2.224 566 HA ALA 78 HA ALA 78 1.370 13.136 -4.918 567 HB1 ALA 78 HB1 ALA 78 3.188 11.358 -5.458 568 HB2 ALA 78 HB2 ALA 78 3.176 11.324 -5.427 569 HB3 ALA 78 HB3 ALA 78 3.443 11.368 -3.688 570 H GLY 79 H GLY 79 0.724 10.340 -2.922 571 HA2 GLY 79 HA3 GLY 79 -1.361 9.153 -3.610 572 HA3 GLY 79 HA2 GLY 79 -0.662 9.097 -5.214 573 H TRP 80 H TRP 80 -1.114 6.763 -4.940 574 HA TRP 80 HA TRP 80 0.661 5.336 -3.131 575 HB2 TRP 80 HB3 TRP 80 -1.408 4.378 -5.122 576 HB3 TRP 80 HB2 TRP 80 -0.430 3.306 -4.139 577 HD1 TRP 80 HD1 TRP 80 -3.625 5.170 -4.093 578 HE1 TRP 80 HE1 TRP 80 -4.696 5.085 -1.749 579 HE3 TRP 80 HE3 TRP 80 0.366 3.364 -1.459 580 HZ2 TRP 80 HZ2 TRP 80 -3.937 4.337 0.865 581 HZ3 TRP 80 HZ3 TRP 80 0.110 2.992 0.956 582 HH2 TRP 80 HH2 TRP 80 -1.995 3.468 2.094 583 H GLY 81 H GLY 81 0.029 5.216 -6.651 584 HA2 GLY 81 HA3 GLY 81 1.673 5.277 -8.340 585 HA3 GLY 81 HA2 GLY 81 2.910 5.003 -7.120 586 H ASN 82 H ASN 82 3.662 3.477 -8.828 587 HA ASN 82 HA ASN 82 2.328 0.865 -8.486 588 HB2 ASN 82 HB3 ASN 82 2.439 2.174 -10.855 589 HB3 ASN 82 HB2 ASN 82 3.951 1.272 -10.930 590 HD21 ASN 82 HD21 ASN 82 1.691 0.919 -12.614 591 HD22 ASN 82 HD22 ASN 82 1.104 -0.696 -12.364 592 H LEU 83 H LEU 83 4.370 1.906 -6.813 593 HA LEU 83 HA LEU 83 6.808 0.507 -7.636 594 HB2 LEU 83 HB3 LEU 83 7.947 1.751 -6.082 595 HB3 LEU 83 HB2 LEU 83 6.666 2.865 -6.555 596 HG LEU 83 HG LEU 83 6.811 1.234 -4.021 597 HD11 LEU 83 HD11 LEU 83 8.133 3.466 -4.448 598 HD12 LEU 83 HD12 LEU 83 7.318 3.166 -2.917 599 HD13 LEU 83 HD13 LEU 83 6.558 4.196 -4.130 600 HD21 LEU 83 HD21 LEU 83 4.645 3.140 -4.902 601 HD22 LEU 83 HD22 LEU 83 4.708 2.221 -3.394 602 HD23 LEU 83 HD23 LEU 83 4.507 1.382 -4.929 603 H VAL 84 H VAL 84 7.915 -0.345 -5.353 604 HA VAL 84 HA VAL 84 6.088 -2.499 -4.522 605 HB VAL 84 HB VAL 84 9.090 -2.376 -4.174 606 HG11 VAL 84 HG11 VAL 84 7.568 -4.920 -4.252 607 HG12 VAL 84 HG12 VAL 84 9.002 -4.482 -3.321 608 HG13 VAL 84 HG13 VAL 84 7.411 -3.926 -2.805 609 HG21 VAL 84 HG21 VAL 84 7.470 -2.959 -6.515 610 HG22 VAL 84 HG22 VAL 84 9.213 -2.712 -6.379 611 HG23 VAL 84 HG23 VAL 84 8.520 -4.307 -6.075 612 H TYR 85 H TYR 85 5.421 -2.706 -2.473 613 HA TYR 85 HA TYR 85 6.321 -0.693 -0.543 614 HB2 TYR 85 HB3 TYR 85 4.285 -0.937 0.522 615 HB3 TYR 85 HB2 TYR 85 3.833 -1.262 -1.121 616 HD1 TYR 85 HD1 TYR 85 3.322 -3.557 -1.855 617 HD2 TYR 85 HD2 TYR 85 4.244 -2.681 2.201 618 HE1 TYR 85 HE1 TYR 85 2.407 -5.738 -1.183 619 HE2 TYR 85 HE2 TYR 85 3.328 -4.856 2.886 620 HH TYR 85 HH TYR 85 2.428 -6.769 2.217 621 H VAL 86 H VAL 86 7.190 -1.182 1.438 622 HA VAL 86 HA VAL 86 8.282 -3.888 1.691 623 HB VAL 86 HB VAL 86 8.944 -1.495 3.403 624 HG11 VAL 86 HG11 VAL 86 9.539 -3.788 4.215 625 HG12 VAL 86 HG12 VAL 86 10.574 -3.958 2.793 626 HG13 VAL 86 HG13 VAL 86 10.914 -2.704 3.991 627 HG21 VAL 86 HG21 VAL 86 10.285 -2.416 0.859 628 HG22 VAL 86 HG22 VAL 86 9.374 -0.919 1.077 629 HG23 VAL 86 HG23 VAL 86 10.893 -1.161 1.943 630 H VAL 87 H VAL 87 7.183 -5.314 2.858 631 HA VAL 87 HA VAL 87 5.055 -4.680 4.584 632 HB VAL 87 HB VAL 87 5.342 -7.057 5.416 633 HG11 VAL 87 HG11 VAL 87 5.061 -6.431 2.485 634 HG12 VAL 87 HG12 VAL 87 4.763 -8.035 3.154 635 HG13 VAL 87 HG13 VAL 87 3.781 -6.667 3.680 636 HG21 VAL 87 HG21 VAL 87 7.138 -8.284 4.904 637 HG22 VAL 87 HG22 VAL 87 7.117 -7.766 3.216 638 HG23 VAL 87 HG23 VAL 87 7.905 -6.765 4.437 639 H ASN 88 H ASN 88 4.913 -4.294 6.728 640 HA ASN 88 HA ASN 88 7.247 -4.743 8.435 641 HB2 ASN 88 HB3 ASN 88 7.259 -2.364 7.436 642 HB3 ASN 88 HB2 ASN 88 5.880 -2.058 8.483 643 HD21 ASN 88 HD21 ASN 88 6.522 -0.908 10.146 644 HD22 ASN 88 HD22 ASN 88 7.952 -1.198 11.093 645 H TYR 89 H TYR 89 6.308 -6.131 9.816 646 HA TYR 89 HA TYR 89 3.603 -6.040 10.624 647 HB2 TYR 89 HB3 TYR 89 5.896 -7.323 12.121 648 HB3 TYR 89 HB2 TYR 89 4.189 -7.749 12.224 649 HD1 TYR 89 HD1 TYR 89 3.422 -7.811 9.376 650 HD2 TYR 89 HD2 TYR 89 6.935 -9.244 11.306 651 HE1 TYR 89 HE1 TYR 89 3.723 -9.465 7.584 652 HE2 TYR 89 HE2 TYR 89 7.248 -10.903 9.518 653 HH TYR 89 HH TYR 89 5.133 -10.973 6.684 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -23.314 11.793 14.760 2 H2 MET 1 H2 MET 1 -24.703 11.604 13.882 3 H3 MET 1 H3 MET 1 -24.189 10.395 14.889 4 HA MET 1 HA MET 1 -23.776 10.456 12.308 5 HB2 MET 1 HB3 MET 1 -22.246 12.485 12.929 6 HB3 MET 1 HB2 MET 1 -21.118 11.242 13.462 7 HG2 MET 1 HG3 MET 1 -20.423 11.568 11.313 8 HG3 MET 1 HG2 MET 1 -21.559 10.236 11.095 9 HE1 MET 1 HE1 MET 1 -20.396 13.507 9.831 10 HE2 MET 1 HE2 MET 1 -21.830 14.453 9.424 11 HE3 MET 1 HE3 MET 1 -21.382 14.216 11.115 12 H ALA 2 H ALA 2 -23.806 8.315 12.169 13 HA ALA 2 HA ALA 2 -21.642 6.736 13.170 14 HB1 ALA 2 HB1 ALA 2 -23.081 5.231 14.588 15 HB2 ALA 2 HB2 ALA 2 -23.124 5.232 14.565 16 HB3 ALA 2 HB3 ALA 2 -24.320 6.521 14.529 17 H GLY 3 H GLY 3 -22.321 4.265 12.915 18 HA2 GLY 3 HA3 GLY 3 -23.101 2.586 11.533 19 HA3 GLY 3 HA2 GLY 3 -24.297 3.716 10.909 20 H SER 4 H SER 4 -20.941 4.587 10.837 21 HA SER 4 HA SER 4 -20.962 5.014 8.043 22 HB2 SER 4 HB3 SER 4 -18.358 5.073 8.483 23 HB3 SER 4 HB2 SER 4 -19.403 6.349 9.113 24 HG SER 4 HG SER 4 -18.356 4.109 10.508 25 H HIS 5 H HIS 5 -19.991 2.302 10.028 26 HA HIS 5 HA HIS 5 -18.661 0.915 7.877 27 HB2 HIS 5 HB3 HIS 5 -18.273 0.707 10.453 28 HB3 HIS 5 HB2 HIS 5 -19.622 -0.427 10.387 29 HD1 HIS 5 HD1 HIS 5 -16.732 -0.060 7.938 30 HD2 HIS 5 HD2 HIS 5 -18.375 -2.831 10.573 31 HE1 HIS 5 HE1 HIS 5 -15.419 -2.182 7.598 32 HE2 HIS 5 HE2 HIS 5 -16.426 -3.875 9.214 33 H HIS 6 H HIS 6 -19.354 -1.183 7.067 34 HA HIS 6 HA HIS 6 -20.863 -2.457 5.924 35 HB2 HIS 6 HB3 HIS 6 -22.538 -1.943 8.394 36 HB3 HIS 6 HB2 HIS 6 -22.844 -3.202 7.199 37 HD1 HIS 6 HD1 HIS 6 -21.826 -3.188 10.419 38 HD2 HIS 6 HD2 HIS 6 -19.921 -4.558 6.981 39 HE1 HIS 6 HE1 HIS 6 -20.136 -4.881 11.208 40 HE2 HIS 6 HE2 HIS 6 -18.973 -5.719 9.101 41 H HIS 7 H HIS 7 -20.825 0.085 4.995 42 HA HIS 7 HA HIS 7 -23.667 0.571 4.362 43 HB2 HIS 7 HB3 HIS 7 -22.441 2.292 5.909 44 HB3 HIS 7 HB2 HIS 7 -21.686 2.825 4.407 45 HD1 HIS 7 HD1 HIS 7 -24.817 3.018 6.347 46 HD2 HIS 7 HD2 HIS 7 -23.525 3.921 2.497 47 HE1 HIS 7 HE1 HIS 7 -26.603 4.497 5.361 48 HE2 HIS 7 HE2 HIS 7 -25.805 5.049 3.004 49 H HIS 8 H HIS 8 -24.133 1.234 2.256 50 HA HIS 8 HA HIS 8 -22.336 0.244 0.263 51 HB2 HIS 8 HB3 HIS 8 -24.841 0.155 0.115 52 HB3 HIS 8 HB2 HIS 8 -24.835 1.897 -0.158 53 HD1 HIS 8 HD1 HIS 8 -23.231 2.594 -2.335 54 HD2 HIS 8 HD2 HIS 8 -24.799 -1.257 -2.183 55 HE1 HIS 8 HE1 HIS 8 -23.124 1.723 -4.697 56 HE2 HIS 8 HE2 HIS 8 -24.084 -0.635 -4.598 57 H HIS 9 H HIS 9 -20.817 1.282 -0.853 58 HA HIS 9 HA HIS 9 -20.949 4.201 -1.107 59 HB2 HIS 9 HB3 HIS 9 -18.550 4.401 -0.499 60 HB3 HIS 9 HB2 HIS 9 -19.553 3.862 0.847 61 HD1 HIS 9 HD1 HIS 9 -17.373 2.261 -1.844 62 HD2 HIS 9 HD2 HIS 9 -18.515 1.718 2.120 63 HE1 HIS 9 HE1 HIS 9 -16.066 0.269 -1.028 64 HE2 HIS 9 HE2 HIS 9 -16.767 -0.059 1.400 65 H HIS 10 H HIS 10 -19.762 5.051 -2.864 66 HA HIS 10 HA HIS 10 -19.040 3.017 -4.878 67 HB2 HIS 10 HB3 HIS 10 -19.598 4.682 -6.577 68 HB3 HIS 10 HB2 HIS 10 -20.965 4.426 -5.494 69 HD1 HIS 10 HD1 HIS 10 -18.340 6.967 -6.381 70 HD2 HIS 10 HD2 HIS 10 -21.756 6.646 -4.029 71 HE1 HIS 10 HE1 HIS 10 -18.877 9.315 -5.646 72 HE2 HIS 10 HE2 HIS 10 -20.971 9.113 -4.206 73 H GLY 11 H GLY 11 -17.382 3.762 -6.490 74 HA2 GLY 11 HA3 GLY 11 -15.441 5.665 -5.378 75 HA3 GLY 11 HA2 GLY 11 -14.908 4.008 -5.634 76 H SER 12 H SER 12 -16.820 6.374 -7.504 77 HA SER 12 HA SER 12 -15.683 5.475 -9.980 78 HB2 SER 12 HB3 SER 12 -17.670 7.536 -9.148 79 HB3 SER 12 HB2 SER 12 -16.885 7.749 -10.715 80 HG SER 12 HG SER 12 -17.623 5.698 -11.315 81 H MET 13 H MET 13 -15.131 8.153 -7.774 82 HA MET 13 HA MET 13 -13.128 9.298 -9.580 83 HB2 MET 13 HB3 MET 13 -13.068 11.180 -8.026 84 HB3 MET 13 HB2 MET 13 -14.722 10.834 -8.519 85 HG2 MET 13 HG3 MET 13 -15.029 9.580 -6.394 86 HG3 MET 13 HG2 MET 13 -13.422 10.116 -5.902 87 HE1 MET 13 HE1 MET 13 -16.951 10.577 -6.185 88 HE2 MET 13 HE2 MET 13 -17.330 12.135 -5.445 89 HE3 MET 13 HE3 MET 13 -16.981 12.039 -7.174 90 H SER 14 H SER 14 -13.420 7.438 -6.669 91 HA SER 14 HA SER 14 -10.992 7.914 -5.416 92 HB2 SER 14 HB3 SER 14 -12.138 5.136 -5.630 93 HB3 SER 14 HB2 SER 14 -11.318 5.889 -4.261 94 HG SER 14 HG SER 14 -13.519 5.857 -3.851 95 H GLU 15 H GLU 15 -8.945 6.957 -5.513 96 HA GLU 15 HA GLU 15 -8.229 6.006 -8.193 97 HB2 GLU 15 HB3 GLU 15 -6.732 7.242 -5.915 98 HB3 GLU 15 HB2 GLU 15 -5.850 6.258 -7.070 99 HG2 GLU 15 HG3 GLU 15 -7.643 8.433 -8.049 100 HG3 GLU 15 HG2 GLU 15 -6.041 8.823 -7.418 101 H TYR 16 H TYR 16 -6.168 4.452 -8.015 102 HA TYR 16 HA TYR 16 -6.951 2.237 -6.223 103 HB2 TYR 16 HB3 TYR 16 -6.004 0.740 -8.053 104 HB3 TYR 16 HB2 TYR 16 -7.531 1.533 -8.412 105 HD1 TYR 16 HD1 TYR 16 -7.575 3.490 -9.952 106 HD2 TYR 16 HD2 TYR 16 -4.046 1.183 -9.343 107 HE1 TYR 16 HE1 TYR 16 -6.611 4.433 -12.008 108 HE2 TYR 16 HE2 TYR 16 -3.076 2.123 -11.397 109 HH TYR 16 HH TYR 16 -4.103 3.156 -13.617 110 H ILE 17 H ILE 17 -5.365 1.158 -5.138 111 HA ILE 17 HA ILE 17 -2.721 2.420 -5.169 112 HB ILE 17 HB ILE 17 -3.677 2.251 -2.983 113 HG12 ILE 17 HG13 ILE 17 -1.580 0.110 -3.358 114 HG13 ILE 17 HG12 ILE 17 -1.267 1.809 -3.132 115 HG21 ILE 17 HG21 ILE 17 -5.128 0.649 -2.491 116 HG22 ILE 17 HG22 ILE 17 -4.707 -0.217 -3.965 117 HG23 ILE 17 HG23 ILE 17 -3.813 -0.525 -2.479 118 HD11 ILE 17 HD11 ILE 17 -2.360 -0.144 -1.143 119 HD12 ILE 17 HD12 ILE 17 -0.875 0.804 -1.052 120 HD13 ILE 17 HD13 ILE 17 -2.441 1.603 -0.908 121 H ARG 18 H ARG 18 -1.061 1.516 -6.176 122 HA ARG 18 HA ARG 18 -1.173 -1.382 -6.739 123 HB2 ARG 18 HB3 ARG 18 -0.511 0.936 -8.427 124 HB3 ARG 18 HB2 ARG 18 0.624 -0.395 -8.544 125 HG2 ARG 18 HG3 ARG 18 -1.472 -1.863 -8.873 126 HG3 ARG 18 HG2 ARG 18 -2.278 -0.333 -9.236 127 HD2 ARG 18 HD3 ARG 18 -1.578 -0.685 -11.334 128 HD3 ARG 18 HD2 ARG 18 -0.006 -0.145 -10.739 129 HE ARG 18 HE ARG 18 0.027 -2.797 -10.213 130 HH11 ARG 18 HH11 ARG 18 -0.681 -0.939 -13.078 131 HH12 ARG 18 HH12 ARG 18 -0.121 -2.165 -14.169 132 HH21 ARG 18 HH21 ARG 18 0.766 -4.416 -11.640 133 HH22 ARG 18 HH22 ARG 18 0.703 -4.141 -13.350 134 H VAL 19 H VAL 19 0.059 -2.315 -5.220 135 HA VAL 19 HA VAL 19 2.885 -1.593 -5.135 136 HB VAL 19 HB VAL 19 2.876 -1.729 -2.620 137 HG11 VAL 19 HG11 VAL 19 1.251 0.648 -3.272 138 HG12 VAL 19 HG12 VAL 19 2.831 0.528 -2.487 139 HG13 VAL 19 HG13 VAL 19 2.703 0.400 -4.243 140 HG21 VAL 19 HG21 VAL 19 0.643 -2.750 -2.400 141 HG22 VAL 19 HG22 VAL 19 0.806 -1.277 -1.441 142 HG23 VAL 19 HG23 VAL 19 -0.082 -1.241 -2.965 143 H THR 20 H THR 20 4.243 -3.264 -4.497 144 HA THR 20 HA THR 20 2.923 -5.883 -4.107 145 HB THR 20 HB THR 20 3.794 -5.995 -6.297 146 HG1 THR 20 HG1 THR 20 4.860 -7.790 -5.925 147 HG21 THR 20 HG21 THR 20 6.333 -5.474 -6.604 148 HG22 THR 20 HG22 THR 20 6.118 -4.494 -5.154 149 HG23 THR 20 HG23 THR 20 5.165 -4.152 -6.598 150 H GLU 21 H GLU 21 4.210 -7.494 -2.974 151 HA GLU 21 HA GLU 21 5.528 -6.339 -0.690 152 HB2 GLU 21 HB3 GLU 21 4.016 -8.503 -0.916 153 HB3 GLU 21 HB2 GLU 21 5.548 -9.271 -1.216 154 HG2 GLU 21 HG3 GLU 21 6.083 -7.772 1.001 155 HG3 GLU 21 HG2 GLU 21 4.418 -8.250 1.265 156 H ASP 22 H ASP 22 6.504 -8.469 -3.365 157 HA ASP 22 HA ASP 22 9.317 -7.948 -2.653 158 HB2 ASP 22 HB3 ASP 22 7.941 -10.275 -3.947 159 HB3 ASP 22 HB2 ASP 22 9.642 -9.969 -4.299 160 H GLU 23 H GLU 23 10.836 -7.832 -4.519 161 HA GLU 23 HA GLU 23 9.814 -5.936 -6.448 162 HB2 GLU 23 HB3 GLU 23 12.177 -5.809 -7.199 163 HB3 GLU 23 HB2 GLU 23 11.980 -5.510 -5.476 164 HG2 GLU 23 HG3 GLU 23 12.762 -7.720 -4.946 165 HG3 GLU 23 HG2 GLU 23 12.818 -8.150 -6.657 166 H ASN 24 H ASN 24 10.723 -9.300 -6.373 167 HA ASN 24 HA ASN 24 11.019 -9.691 -9.166 168 HB2 ASN 24 HB3 ASN 24 10.085 -11.785 -7.199 169 HB3 ASN 24 HB2 ASN 24 10.995 -12.024 -8.690 170 HD21 ASN 24 HD21 ASN 24 11.428 -12.555 -5.700 171 HD22 ASN 24 HD22 ASN 24 13.044 -11.980 -5.426 172 H ASP 25 H ASP 25 8.264 -9.384 -7.101 173 HA ASP 25 HA ASP 25 6.478 -10.385 -9.210 174 HB2 ASP 25 HB3 ASP 25 6.280 -11.157 -6.774 175 HB3 ASP 25 HB2 ASP 25 5.653 -9.545 -6.433 176 H GLU 26 H GLU 26 4.961 -9.109 -10.189 177 HA GLU 26 HA GLU 26 5.496 -6.314 -10.309 178 HB2 GLU 26 HB3 GLU 26 3.543 -8.179 -11.566 179 HB3 GLU 26 HB2 GLU 26 3.150 -6.466 -11.580 180 HG2 GLU 26 HG3 GLU 26 4.248 -6.751 -13.585 181 HG3 GLU 26 HG2 GLU 26 5.528 -6.154 -12.528 182 HA PRO 27 HA PRO 27 2.821 -4.593 -7.289 183 HB2 PRO 27 HB3 PRO 27 1.808 -2.429 -8.561 184 HB3 PRO 27 HB2 PRO 27 3.481 -2.517 -8.024 185 HG2 PRO 27 HG3 PRO 27 2.350 -2.980 -10.756 186 HG3 PRO 27 HG2 PRO 27 3.813 -2.093 -10.286 187 HD2 PRO 27 HD3 PRO 27 3.888 -4.623 -11.248 188 HD3 PRO 27 HD2 PRO 27 5.058 -4.021 -10.054 189 H ILE 28 H ILE 28 0.843 -5.051 -6.545 190 HA ILE 28 HA ILE 28 -1.199 -5.906 -8.469 191 HB ILE 28 HB ILE 28 -0.775 -7.511 -6.736 192 HG12 ILE 28 HG13 ILE 28 -3.007 -7.730 -5.744 193 HG13 ILE 28 HG12 ILE 28 -3.356 -6.047 -6.120 194 HG21 ILE 28 HG21 ILE 28 -1.177 -6.930 -4.338 195 HG22 ILE 28 HG22 ILE 28 0.234 -6.151 -5.051 196 HG23 ILE 28 HG23 ILE 28 -1.259 -5.236 -4.819 197 HD11 ILE 28 HD11 ILE 28 -3.935 -8.247 -7.687 198 HD12 ILE 28 HD12 ILE 28 -3.986 -6.553 -8.186 199 HD13 ILE 28 HD13 ILE 28 -2.535 -7.516 -8.471 200 H GLU 29 H GLU 29 -3.050 -4.826 -8.811 201 HA GLU 29 HA GLU 29 -3.396 -2.270 -7.440 202 HB2 GLU 29 HB3 GLU 29 -3.542 -2.067 -9.793 203 HB3 GLU 29 HB2 GLU 29 -4.588 -3.473 -9.929 204 HG2 GLU 29 HG3 GLU 29 -5.767 -1.437 -8.257 205 HG3 GLU 29 HG2 GLU 29 -5.357 -0.812 -9.853 206 H ILE 30 H ILE 30 -4.768 -2.024 -5.817 207 HA ILE 30 HA ILE 30 -7.073 -3.861 -5.628 208 HB ILE 30 HB ILE 30 -6.626 -3.172 -3.024 209 HG12 ILE 30 HG13 ILE 30 -3.895 -3.862 -4.085 210 HG13 ILE 30 HG12 ILE 30 -4.397 -2.200 -3.893 211 HG21 ILE 30 HG21 ILE 30 -5.968 -5.454 -2.703 212 HG22 ILE 30 HG22 ILE 30 -7.156 -5.400 -4.005 213 HG23 ILE 30 HG23 ILE 30 -5.444 -5.588 -4.383 214 HD11 ILE 30 HD11 ILE 30 -4.906 -2.760 -1.484 215 HD12 ILE 30 HD12 ILE 30 -4.043 -4.276 -1.769 216 HD13 ILE 30 HD13 ILE 30 -3.205 -2.734 -1.953 217 HA PRO 31 HA PRO 31 -9.670 -0.363 -5.125 218 HB2 PRO 31 HB3 PRO 31 -11.473 -1.241 -3.290 219 HB3 PRO 31 HB2 PRO 31 -11.438 -1.823 -4.962 220 HG2 PRO 31 HG3 PRO 31 -10.330 -3.095 -2.488 221 HG3 PRO 31 HG2 PRO 31 -11.228 -3.841 -3.825 222 HD2 PRO 31 HD3 PRO 31 -8.534 -4.001 -3.611 223 HD3 PRO 31 HD2 PRO 31 -9.366 -3.952 -5.180 224 H SER 32 H SER 32 -9.524 1.510 -4.055 225 HA SER 32 HA SER 32 -8.712 1.437 -1.215 226 HB2 SER 32 HB3 SER 32 -7.242 3.238 -1.530 227 HB3 SER 32 HB2 SER 32 -6.982 2.248 -2.967 228 HG SER 32 HG SER 32 -7.306 4.169 -3.853 229 H GLU 33 H GLU 33 -8.998 3.944 -0.420 230 HA GLU 33 HA GLU 33 -11.876 4.321 -0.511 231 HB2 GLU 33 HB3 GLU 33 -9.737 5.791 1.044 232 HB3 GLU 33 HB2 GLU 33 -11.471 6.014 1.243 233 HG2 GLU 33 HG3 GLU 33 -9.803 3.620 1.937 234 HG3 GLU 33 HG2 GLU 33 -10.817 4.606 2.994 235 H ASP 34 H ASP 34 -12.593 6.739 -0.481 236 HA ASP 34 HA ASP 34 -11.856 7.817 -3.052 237 HB2 ASP 34 HB3 ASP 34 -13.702 9.249 -2.828 238 HB3 ASP 34 HB2 ASP 34 -14.204 7.777 -1.996 239 H ASP 35 H ASP 35 -11.274 8.590 0.315 240 HA ASP 35 HA ASP 35 -10.252 11.206 -0.086 241 HB2 ASP 35 HB3 ASP 35 -10.065 9.183 2.123 242 HB3 ASP 35 HB2 ASP 35 -9.069 10.637 2.178 243 H GLY 36 H GLY 36 -8.961 8.093 -0.695 244 HA2 GLY 36 HA3 GLY 36 -6.999 8.072 -2.173 245 HA3 GLY 36 HA2 GLY 36 -6.304 9.310 -1.159 246 H THR 37 H THR 37 -7.673 7.545 1.088 247 HA THR 37 HA THR 37 -5.221 6.088 1.661 248 HB THR 37 HB THR 37 -6.120 5.694 3.851 249 HG1 THR 37 HG1 THR 37 -8.574 6.554 2.693 250 HG21 THR 37 HG21 THR 37 -5.878 8.288 2.729 251 HG22 THR 37 HG22 THR 37 -5.641 7.796 4.408 252 HG23 THR 37 HG23 THR 37 -7.234 8.323 3.856 253 H VAL 38 H VAL 38 -5.858 3.888 2.969 254 HA VAL 38 HA VAL 38 -7.678 2.313 1.282 255 HB VAL 38 HB VAL 38 -4.799 1.606 1.865 256 HG11 VAL 38 HG11 VAL 38 -7.085 -0.091 0.905 257 HG12 VAL 38 HG12 VAL 38 -5.407 -0.486 0.518 258 HG13 VAL 38 HG13 VAL 38 -5.931 -0.415 2.202 259 HG21 VAL 38 HG21 VAL 38 -5.544 3.106 -0.127 260 HG22 VAL 38 HG22 VAL 38 -4.405 1.791 -0.404 261 HG23 VAL 38 HG23 VAL 38 -6.108 1.589 -0.825 262 H LEU 39 H LEU 39 -9.055 1.238 2.520 263 HA LEU 39 HA LEU 39 -8.908 1.139 5.317 264 HB2 LEU 39 HB3 LEU 39 -10.522 -0.315 3.261 265 HB3 LEU 39 HB2 LEU 39 -10.628 -0.789 4.956 266 HG LEU 39 HG LEU 39 -11.136 2.036 4.055 267 HD11 LEU 39 HD11 LEU 39 -13.588 0.829 4.612 268 HD12 LEU 39 HD12 LEU 39 -12.747 -0.305 3.554 269 HD13 LEU 39 HD13 LEU 39 -12.995 1.363 3.041 270 HD21 LEU 39 HD21 LEU 39 -12.510 0.839 6.368 271 HD22 LEU 39 HD22 LEU 39 -11.773 2.432 6.177 272 HD23 LEU 39 HD23 LEU 39 -10.764 1.028 6.538 273 H LEU 40 H LEU 40 -8.501 -0.559 6.767 274 HA LEU 40 HA LEU 40 -6.233 -2.126 6.192 275 HB2 LEU 40 HB3 LEU 40 -7.489 -1.353 8.451 276 HB3 LEU 40 HB2 LEU 40 -8.014 -3.037 8.365 277 HG LEU 40 HG LEU 40 -5.121 -2.181 8.318 278 HD11 LEU 40 HD11 LEU 40 -5.095 -2.029 10.535 279 HD12 LEU 40 HD12 LEU 40 -6.013 -3.525 10.719 280 HD13 LEU 40 HD13 LEU 40 -6.860 -1.998 10.477 281 HD21 LEU 40 HD21 LEU 40 -5.198 -4.719 9.251 282 HD22 LEU 40 HD22 LEU 40 -4.954 -4.292 7.556 283 HD23 LEU 40 HD23 LEU 40 -6.563 -4.739 8.134 284 H SER 41 H SER 41 -9.587 -2.685 5.663 285 HA SER 41 HA SER 41 -9.580 -5.520 5.664 286 HB2 SER 41 HB3 SER 41 -11.730 -5.378 4.653 287 HB3 SER 41 HB2 SER 41 -11.610 -3.978 5.722 288 HG SER 41 HG SER 41 -12.283 -3.863 3.274 289 H THR 42 H THR 42 -8.902 -3.104 3.190 290 HA THR 42 HA THR 42 -8.699 -5.018 1.056 291 HB THR 42 HB THR 42 -7.557 -2.222 1.074 292 HG1 THR 42 HG1 THR 42 -10.196 -3.043 0.351 293 HG21 THR 42 HG21 THR 42 -7.455 -2.376 -1.211 294 HG22 THR 42 HG22 THR 42 -8.779 -3.540 -1.300 295 HG23 THR 42 HG23 THR 42 -7.175 -4.065 -0.792 296 H VAL 43 H VAL 43 -6.468 -3.458 3.282 297 HA VAL 43 HA VAL 43 -4.060 -4.203 1.982 298 HB VAL 43 HB VAL 43 -4.696 -3.495 4.846 299 HG11 VAL 43 HG11 VAL 43 -2.167 -4.557 3.677 300 HG12 VAL 43 HG12 VAL 43 -2.069 -3.290 4.902 301 HG13 VAL 43 HG13 VAL 43 -2.873 -4.817 5.275 302 HG21 VAL 43 HG21 VAL 43 -3.737 -2.083 2.440 303 HG22 VAL 43 HG22 VAL 43 -4.682 -1.489 3.807 304 HG23 VAL 43 HG23 VAL 43 -2.931 -1.657 3.951 305 H THR 44 H THR 44 -6.109 -5.832 4.340 306 HA THR 44 HA THR 44 -4.262 -8.014 4.723 307 HB THR 44 HB THR 44 -5.968 -9.022 6.101 308 HG1 THR 44 HG1 THR 44 -8.068 -8.056 6.208 309 HG21 THR 44 HG21 THR 44 -5.009 -6.366 6.483 310 HG22 THR 44 HG22 THR 44 -5.413 -7.578 7.701 311 HG23 THR 44 HG23 THR 44 -6.651 -6.465 7.121 312 H ALA 45 H ALA 45 -6.564 -7.186 2.372 313 HA ALA 45 HA ALA 45 -7.542 -9.734 1.644 314 HB1 ALA 45 HB1 ALA 45 -7.172 -7.762 -0.525 315 HB2 ALA 45 HB2 ALA 45 -7.162 -7.729 -0.496 316 HB3 ALA 45 HB3 ALA 45 -8.139 -7.231 0.881 317 H GLN 46 H GLN 46 -4.765 -7.845 0.476 318 HA GLN 46 HA GLN 46 -3.791 -10.276 -0.884 319 HB2 GLN 46 HB3 GLN 46 -3.064 -7.399 -1.473 320 HB3 GLN 46 HB2 GLN 46 -2.530 -8.812 -2.362 321 HG2 GLN 46 HG3 GLN 46 -5.406 -7.970 -2.112 322 HG3 GLN 46 HG2 GLN 46 -4.354 -7.519 -3.455 323 HE21 GLN 46 HE21 GLN 46 -3.220 -9.454 -4.484 324 HE22 GLN 46 HE22 GLN 46 -4.214 -10.845 -4.782 325 H PHE 47 H PHE 47 -3.245 -8.101 1.664 326 HA PHE 47 HA PHE 47 -0.580 -9.284 2.104 327 HB2 PHE 47 HB3 PHE 47 -1.132 -6.444 2.895 328 HB3 PHE 47 HB2 PHE 47 0.399 -7.238 2.649 329 HD1 PHE 47 HD2 PHE 47 0.436 -8.319 0.074 330 HD2 PHE 47 HD1 PHE 47 -1.518 -4.768 1.384 331 HE1 PHE 47 HE2 PHE 47 0.531 -7.430 -2.213 332 HE2 PHE 47 HE1 PHE 47 -1.427 -3.871 -0.905 333 HZ PHE 47 HZ PHE 47 -0.410 -5.198 -2.709 334 HA PRO 48 HA PRO 48 -3.337 -9.884 5.777 335 HB2 PRO 48 HB3 PRO 48 -2.587 -12.463 6.197 336 HB3 PRO 48 HB2 PRO 48 -3.882 -12.004 5.085 337 HG2 PRO 48 HG3 PRO 48 -1.028 -12.689 4.489 338 HG3 PRO 48 HG2 PRO 48 -2.498 -13.184 3.635 339 HD2 PRO 48 HD3 PRO 48 -0.904 -11.188 2.745 340 HD3 PRO 48 HD2 PRO 48 -2.662 -11.188 2.489 341 H GLY 49 H GLY 49 -2.605 -9.224 7.694 342 HA2 GLY 49 HA3 GLY 49 -1.255 -9.327 9.612 343 HA3 GLY 49 HA2 GLY 49 -0.062 -10.239 8.713 344 H ALA 50 H ALA 50 -0.479 -8.020 6.564 345 HA ALA 50 HA ALA 50 1.839 -6.541 7.213 346 HB1 ALA 50 HB1 ALA 50 0.654 -7.016 4.911 347 HB2 ALA 50 HB2 ALA 50 0.699 -7.011 4.916 348 HB3 ALA 50 HB3 ALA 50 1.599 -5.521 5.166 349 H CYS 51 H CYS 51 1.941 -5.183 8.878 350 HA CYS 51 HA CYS 51 -0.390 -3.550 9.568 351 HB2 CYS 51 HB3 CYS 51 1.104 -4.877 11.239 352 HB3 CYS 51 HB2 CYS 51 2.212 -3.525 11.066 353 HG CYS 51 HG CYS 51 0.400 -1.616 11.999 354 H GLY 52 H GLY 52 3.100 -3.092 8.965 355 HA2 GLY 52 HA3 GLY 52 2.477 -0.317 8.175 356 HA3 GLY 52 HA2 GLY 52 3.963 -0.772 8.951 357 H LEU 53 H LEU 53 2.897 0.279 6.153 358 HA LEU 53 HA LEU 53 4.651 -1.474 4.551 359 HB2 LEU 53 HB3 LEU 53 2.483 0.308 3.468 360 HB3 LEU 53 HB2 LEU 53 3.350 -0.971 2.630 361 HG LEU 53 HG LEU 53 1.291 -1.938 3.001 362 HD11 LEU 53 HD11 LEU 53 2.324 -2.829 5.626 363 HD12 LEU 53 HD12 LEU 53 3.392 -3.044 4.241 364 HD13 LEU 53 HD13 LEU 53 1.784 -3.768 4.234 365 HD21 LEU 53 HD21 LEU 53 0.636 0.028 4.544 366 HD22 LEU 53 HD22 LEU 53 1.141 -1.036 5.858 367 HD23 LEU 53 HD23 LEU 53 -0.158 -1.533 4.772 368 H ARG 54 H ARG 54 6.301 -0.594 3.419 369 HA ARG 54 HA ARG 54 6.734 2.300 3.770 370 HB2 ARG 54 HB3 ARG 54 8.402 0.101 4.267 371 HB3 ARG 54 HB2 ARG 54 9.052 0.851 2.820 372 HG2 ARG 54 HG3 ARG 54 9.269 2.965 3.959 373 HG3 ARG 54 HG2 ARG 54 8.482 2.307 5.396 374 HD2 ARG 54 HD3 ARG 54 10.652 2.053 6.036 375 HD3 ARG 54 HD2 ARG 54 10.437 0.523 5.181 376 HE ARG 54 HE ARG 54 11.370 2.614 3.462 377 HH11 ARG 54 HH11 ARG 54 12.356 0.258 5.836 378 HH12 ARG 54 HH12 ARG 54 13.983 0.152 5.245 379 HH21 ARG 54 HH21 ARG 54 13.507 2.479 2.677 380 HH22 ARG 54 HH22 ARG 54 14.637 1.416 3.449 381 H TYR 55 H TYR 55 8.141 3.271 1.973 382 HA TYR 55 HA TYR 55 7.005 2.420 -0.614 383 HB2 TYR 55 HB3 TYR 55 7.690 5.094 0.526 384 HB3 TYR 55 HB2 TYR 55 7.748 4.875 -1.208 385 HD1 TYR 55 HD2 TYR 55 5.500 3.233 -1.856 386 HD2 TYR 55 HD1 TYR 55 5.789 6.272 1.107 387 HE1 TYR 55 HE2 TYR 55 3.068 3.580 -1.981 388 HE2 TYR 55 HE1 TYR 55 3.360 6.626 0.991 389 HH TYR 55 HH TYR 55 1.324 5.222 0.308 390 H ARG 56 H ARG 56 8.334 1.653 -2.110 391 HA ARG 56 HA ARG 56 11.192 2.358 -1.959 392 HB2 ARG 56 HB3 ARG 56 11.026 0.130 -1.079 393 HB3 ARG 56 HB2 ARG 56 9.986 -0.373 -2.402 394 HG2 ARG 56 HG3 ARG 56 12.175 -1.260 -2.765 395 HG3 ARG 56 HG2 ARG 56 11.870 -0.005 -3.969 396 HD2 ARG 56 HD3 ARG 56 13.261 0.650 -1.398 397 HD3 ARG 56 HD2 ARG 56 14.153 -0.061 -2.746 398 HE ARG 56 HE ARG 56 12.799 2.060 -3.836 399 HH11 ARG 56 HH11 ARG 56 15.090 1.627 -1.243 400 HH12 ARG 56 HH12 ARG 56 15.783 3.207 -1.417 401 HH21 ARG 56 HH21 ARG 56 13.705 4.141 -4.071 402 HH22 ARG 56 HH22 ARG 56 14.992 4.636 -3.023 403 H ASN 57 H ASN 57 11.550 3.579 -3.695 404 HA ASN 57 HA ASN 57 10.585 2.585 -6.298 405 HB2 ASN 57 HB3 ASN 57 9.869 5.021 -5.031 406 HB3 ASN 57 HB2 ASN 57 10.895 5.425 -6.389 407 HD21 ASN 57 HD21 ASN 57 10.291 3.657 -8.277 408 HD22 ASN 57 HD22 ASN 57 8.619 3.760 -8.724 409 HA PRO 58 HA PRO 58 15.007 2.744 -6.978 410 HB2 PRO 58 HB3 PRO 58 14.918 1.563 -9.424 411 HB3 PRO 58 HB2 PRO 58 14.797 0.659 -7.919 412 HG2 PRO 58 HG3 PRO 58 12.622 1.557 -9.763 413 HG3 PRO 58 HG2 PRO 58 12.820 -0.007 -8.946 414 HD2 PRO 58 HD3 PRO 58 11.139 1.909 -8.032 415 HD3 PRO 58 HD2 PRO 58 11.980 0.796 -6.951 416 H VAL 59 H VAL 59 12.461 4.026 -8.986 417 HA VAL 59 HA VAL 59 14.300 5.509 -10.678 418 HB VAL 59 HB VAL 59 12.206 6.469 -11.668 419 HG11 VAL 59 HG11 VAL 59 11.425 3.860 -12.184 420 HG12 VAL 59 HG12 VAL 59 12.644 4.785 -13.064 421 HG13 VAL 59 HG13 VAL 59 13.127 3.715 -11.740 422 HG21 VAL 59 HG21 VAL 59 10.421 4.481 -10.576 423 HG22 VAL 59 HG22 VAL 59 11.050 5.525 -9.304 424 HG23 VAL 59 HG23 VAL 59 10.219 6.232 -10.691 425 H SER 60 H SER 60 12.356 6.011 -7.841 426 HA SER 60 HA SER 60 12.620 8.908 -7.978 427 HB2 SER 60 HB3 SER 60 10.523 7.799 -7.152 428 HB3 SER 60 HB2 SER 60 11.438 7.240 -5.750 429 HG SER 60 HG SER 60 11.152 9.963 -6.509 430 H GLN 61 H GLN 61 14.059 6.173 -6.374 431 HA GLN 61 HA GLN 61 15.876 5.965 -5.018 432 HB2 GLN 61 HB3 GLN 61 16.522 8.811 -5.809 433 HB3 GLN 61 HB2 GLN 61 17.641 7.601 -5.195 434 HG2 GLN 61 HG3 GLN 61 17.505 6.329 -7.190 435 HG3 GLN 61 HG2 GLN 61 16.140 7.278 -7.778 436 HE21 GLN 61 HE21 GLN 61 18.442 6.847 -9.271 437 HE22 GLN 61 HE22 GLN 61 19.264 8.361 -9.477 438 H CYS 62 H CYS 62 13.310 7.205 -4.070 439 HA CYS 62 HA CYS 62 14.261 8.856 -1.844 440 HB2 CYS 62 HB3 CYS 62 11.566 8.295 -3.042 441 HB3 CYS 62 HB2 CYS 62 11.684 8.921 -1.400 442 HG CYS 62 HG CYS 62 12.666 10.453 -4.289 443 H MET 63 H MET 63 12.965 8.406 0.279 444 HA MET 63 HA MET 63 12.799 5.511 0.768 445 HB2 MET 63 HB3 MET 63 15.038 6.740 1.467 446 HB3 MET 63 HB2 MET 63 14.071 7.234 2.850 447 HG2 MET 63 HG3 MET 63 13.789 5.044 3.592 448 HG3 MET 63 HG2 MET 63 14.245 4.360 2.030 449 HE1 MET 63 HE1 MET 63 16.506 4.642 5.642 450 HE2 MET 63 HE2 MET 63 14.863 4.213 5.159 451 HE3 MET 63 HE3 MET 63 16.202 3.121 4.796 452 H ARG 64 H ARG 64 10.549 6.835 0.402 453 HA ARG 64 HA ARG 64 9.547 7.950 2.882 454 HB2 ARG 64 HB3 ARG 64 8.902 8.388 0.283 455 HB3 ARG 64 HB2 ARG 64 7.641 7.251 0.738 456 HG2 ARG 64 HG3 ARG 64 7.527 8.949 2.831 457 HG3 ARG 64 HG2 ARG 64 8.060 10.046 1.553 458 HD2 ARG 64 HD3 ARG 64 5.979 8.358 0.540 459 HD3 ARG 64 HD2 ARG 64 5.447 9.081 2.057 460 HE ARG 64 HE ARG 64 5.732 10.398 -0.438 461 HH11 ARG 64 HH11 ARG 64 6.170 10.865 2.990 462 HH12 ARG 64 HH12 ARG 64 5.932 12.581 2.919 463 HH21 ARG 64 HH21 ARG 64 5.420 12.655 -0.542 464 HH22 ARG 64 HH22 ARG 64 5.504 13.597 0.910 465 H GLY 65 H GLY 65 7.060 7.075 3.220 466 HA2 GLY 65 HA3 GLY 65 6.862 4.202 3.105 467 HA3 GLY 65 HA2 GLY 65 7.216 4.800 4.721 468 H VAL 66 H VAL 66 4.799 3.543 3.235 469 HA VAL 66 HA VAL 66 2.684 5.362 3.162 470 HB VAL 66 HB VAL 66 2.462 2.469 4.012 471 HG11 VAL 66 HG11 VAL 66 0.439 3.858 4.293 472 HG12 VAL 66 HG12 VAL 66 0.503 4.261 2.577 473 HG13 VAL 66 HG13 VAL 66 0.234 2.591 3.082 474 HG21 VAL 66 HG21 VAL 66 3.223 1.881 2.007 475 HG22 VAL 66 HG22 VAL 66 1.882 2.757 1.270 476 HG23 VAL 66 HG23 VAL 66 3.420 3.573 1.549 477 H ARG 67 H ARG 67 1.274 6.167 4.646 478 HA ARG 67 HA ARG 67 2.089 5.983 7.437 479 HB2 ARG 67 HB3 ARG 67 1.649 8.199 6.620 480 HB3 ARG 67 HB2 ARG 67 0.074 7.715 5.996 481 HG2 ARG 67 HG3 ARG 67 -0.234 8.983 8.005 482 HG3 ARG 67 HG2 ARG 67 -0.672 7.301 8.319 483 HD2 ARG 67 HD3 ARG 67 1.894 7.188 9.034 484 HD3 ARG 67 HD2 ARG 67 1.610 8.903 9.338 485 HE ARG 67 HE ARG 67 -0.374 7.146 10.486 486 HH11 ARG 67 HH11 ARG 67 2.692 8.736 10.951 487 HH12 ARG 67 HH12 ARG 67 2.602 8.689 12.683 488 HH21 ARG 67 HH21 ARG 67 -0.502 7.077 12.760 489 HH22 ARG 67 HH22 ARG 67 0.785 7.744 13.710 490 H LEU 68 H LEU 68 0.951 5.042 9.050 491 HA LEU 68 HA LEU 68 -1.530 3.640 8.277 492 HB2 LEU 68 HB3 LEU 68 0.360 2.149 8.780 493 HB3 LEU 68 HB2 LEU 68 0.498 2.881 10.380 494 HG LEU 68 HG LEU 68 -0.656 0.597 10.171 495 HD11 LEU 68 HD11 LEU 68 -0.945 2.724 11.935 496 HD12 LEU 68 HD12 LEU 68 -1.420 1.049 12.212 497 HD13 LEU 68 HD13 LEU 68 -2.599 2.208 11.592 498 HD21 LEU 68 HD21 LEU 68 -2.077 1.198 8.257 499 HD22 LEU 68 HD22 LEU 68 -2.927 2.372 9.261 500 HD23 LEU 68 HD23 LEU 68 -3.024 0.652 9.638 501 H VAL 69 H VAL 69 -3.326 4.311 9.228 502 HA VAL 69 HA VAL 69 -3.246 5.255 11.994 503 HB VAL 69 HB VAL 69 -2.971 7.320 10.764 504 HG11 VAL 69 HG11 VAL 69 -3.943 6.409 8.625 505 HG12 VAL 69 HG12 VAL 69 -5.541 6.721 9.308 506 HG13 VAL 69 HG13 VAL 69 -4.421 8.057 9.034 507 HG21 VAL 69 HG21 VAL 69 -4.857 6.877 12.654 508 HG22 VAL 69 HG22 VAL 69 -4.466 8.469 12.001 509 HG23 VAL 69 HG23 VAL 69 -5.843 7.568 11.362 510 H GLU 70 H GLU 70 -4.826 4.298 13.076 511 HA GLU 70 HA GLU 70 -6.758 3.193 13.567 512 HB2 GLU 70 HB3 GLU 70 -7.951 4.734 11.258 513 HB3 GLU 70 HB2 GLU 70 -8.806 4.044 12.632 514 HG2 GLU 70 HG3 GLU 70 -7.177 5.636 13.978 515 HG3 GLU 70 HG2 GLU 70 -7.179 6.515 12.450 516 H GLY 71 H GLY 71 -4.892 2.195 11.416 517 HA2 GLY 71 HA3 GLY 71 -4.913 0.038 10.462 518 HA3 GLY 71 HA2 GLY 71 -6.673 0.068 10.481 519 H ILE 72 H ILE 72 -6.606 2.819 9.258 520 HA ILE 72 HA ILE 72 -6.582 1.906 6.508 521 HB ILE 72 HB ILE 72 -7.172 4.670 7.577 522 HG12 ILE 72 HG13 ILE 72 -9.552 3.467 6.769 523 HG13 ILE 72 HG12 ILE 72 -8.710 2.195 7.630 524 HG21 ILE 72 HG21 ILE 72 -7.514 5.314 5.478 525 HG22 ILE 72 HG22 ILE 72 -6.742 3.813 4.972 526 HG23 ILE 72 HG23 ILE 72 -8.496 3.888 5.126 527 HD11 ILE 72 HD11 ILE 72 -10.022 4.577 8.639 528 HD12 ILE 72 HD12 ILE 72 -9.576 3.085 9.471 529 HD13 ILE 72 HD13 ILE 72 -8.387 4.374 9.273 530 H LEU 73 H LEU 73 -4.929 2.086 5.160 531 HA LEU 73 HA LEU 73 -2.552 3.528 5.951 532 HB2 LEU 73 HB3 LEU 73 -3.280 1.775 3.629 533 HB3 LEU 73 HB2 LEU 73 -1.788 2.690 3.631 534 HG LEU 73 HG LEU 73 -1.332 0.438 4.323 535 HD11 LEU 73 HD11 LEU 73 -0.104 2.278 5.434 536 HD12 LEU 73 HD12 LEU 73 -0.241 0.834 6.437 537 HD13 LEU 73 HD13 LEU 73 -1.275 2.229 6.746 538 HD21 LEU 73 HD21 LEU 73 -2.404 -0.667 6.111 539 HD22 LEU 73 HD22 LEU 73 -3.697 0.041 5.140 540 HD23 LEU 73 HD23 LEU 73 -3.204 0.811 6.647 541 H HIS 74 H HIS 74 -2.309 5.623 5.601 542 HA HIS 74 HA HIS 74 -3.868 6.958 3.534 543 HB2 HIS 74 HB3 HIS 74 -3.763 8.039 5.699 544 HB3 HIS 74 HB2 HIS 74 -2.009 8.021 5.664 545 HD1 HIS 74 HD1 HIS 74 -4.127 9.092 2.737 546 HD2 HIS 74 HD2 HIS 74 -1.661 10.759 5.642 547 HE1 HIS 74 HE1 HIS 74 -3.813 11.497 2.059 548 HE2 HIS 74 HE2 HIS 74 -2.302 12.514 3.841 549 H ALA 75 H ALA 75 -3.090 7.794 1.675 550 HA ALA 75 HA ALA 75 -0.402 7.017 0.889 551 HB1 ALA 75 HB1 ALA 75 -1.850 8.575 -1.081 552 HB2 ALA 75 HB2 ALA 75 -1.890 8.575 -1.056 553 HB3 ALA 75 HB3 ALA 75 -2.808 7.202 -0.452 554 HA PRO 76 HA PRO 76 1.582 10.909 1.306 555 HB2 PRO 76 HB3 PRO 76 3.142 11.001 -0.918 556 HB3 PRO 76 HB2 PRO 76 3.472 9.924 0.445 557 HG2 PRO 76 HG3 PRO 76 2.137 9.323 -2.155 558 HG3 PRO 76 HG2 PRO 76 3.334 8.372 -1.281 559 HD2 PRO 76 HD3 PRO 76 0.692 7.793 -1.204 560 HD3 PRO 76 HD2 PRO 76 1.768 7.499 0.170 561 H ASP 77 H ASP 77 2.335 12.838 -0.300 562 HA ASP 77 HA ASP 77 -0.148 13.990 -1.209 563 HB2 ASP 77 HB3 ASP 77 2.681 15.068 -1.310 564 HB3 ASP 77 HB2 ASP 77 1.225 15.994 -1.678 565 H ALA 78 H ALA 78 1.921 11.876 -2.615 566 HA ALA 78 HA ALA 78 1.567 12.998 -5.316 567 HB1 ALA 78 HB1 ALA 78 3.394 10.715 -4.575 568 HB2 ALA 78 HB2 ALA 78 3.401 10.740 -4.539 569 HB3 ALA 78 HB3 ALA 78 3.891 12.431 -4.517 570 H GLY 79 H GLY 79 0.837 10.287 -3.242 571 HA2 GLY 79 HA3 GLY 79 -1.319 9.188 -3.836 572 HA3 GLY 79 HA2 GLY 79 -0.680 9.069 -5.463 573 H TRP 80 H TRP 80 -1.281 6.763 -5.065 574 HA TRP 80 HA TRP 80 0.446 5.270 -3.289 575 HB2 TRP 80 HB3 TRP 80 -1.647 4.422 -5.300 576 HB3 TRP 80 HB2 TRP 80 -0.709 3.285 -4.356 577 HD1 TRP 80 HD1 TRP 80 -3.893 5.065 -4.273 578 HE1 TRP 80 HE1 TRP 80 -4.926 5.040 -1.910 579 HE3 TRP 80 HE3 TRP 80 0.198 3.531 -1.628 580 HZ2 TRP 80 HZ2 TRP 80 -4.100 4.438 0.721 581 HZ3 TRP 80 HZ3 TRP 80 -0.006 3.251 0.804 582 HH2 TRP 80 HH2 TRP 80 -2.112 3.697 1.954 583 H GLY 81 H GLY 81 -0.121 5.187 -6.821 584 HA2 GLY 81 HA3 GLY 81 1.504 5.108 -8.504 585 HA3 GLY 81 HA2 GLY 81 2.745 4.922 -7.271 586 H ASN 82 H ASN 82 3.506 3.322 -8.919 587 HA ASN 82 HA ASN 82 2.241 0.706 -8.403 588 HB2 ASN 82 HB3 ASN 82 3.734 1.322 -10.944 589 HB3 ASN 82 HB2 ASN 82 2.603 0.007 -10.621 590 HD21 ASN 82 HD21 ASN 82 2.648 2.041 -12.743 591 HD22 ASN 82 HD22 ASN 82 1.111 2.840 -12.654 592 H LEU 83 H LEU 83 4.277 1.850 -6.823 593 HA LEU 83 HA LEU 83 6.747 0.510 -7.640 594 HB2 LEU 83 HB3 LEU 83 7.622 1.583 -5.513 595 HB3 LEU 83 HB2 LEU 83 7.164 2.659 -6.828 596 HG LEU 83 HG LEU 83 6.526 3.284 -4.403 597 HD11 LEU 83 HD11 LEU 83 5.424 3.848 -6.901 598 HD12 LEU 83 HD12 LEU 83 5.221 4.771 -5.410 599 HD13 LEU 83 HD13 LEU 83 4.044 3.530 -5.849 600 HD21 LEU 83 HD21 LEU 83 4.278 1.374 -5.027 601 HD22 LEU 83 HD22 LEU 83 4.449 2.382 -3.591 602 HD23 LEU 83 HD23 LEU 83 5.573 1.052 -3.873 603 H VAL 84 H VAL 84 7.931 -0.306 -5.420 604 HA VAL 84 HA VAL 84 6.192 -2.492 -4.507 605 HB VAL 84 HB VAL 84 8.251 -3.258 -5.479 606 HG11 VAL 84 HG11 VAL 84 10.245 -2.375 -3.687 607 HG12 VAL 84 HG12 VAL 84 10.082 -2.005 -5.405 608 HG13 VAL 84 HG13 VAL 84 9.342 -0.951 -4.202 609 HG21 VAL 84 HG21 VAL 84 8.327 -3.466 -2.468 610 HG22 VAL 84 HG22 VAL 84 7.470 -4.535 -3.578 611 HG23 VAL 84 HG23 VAL 84 9.230 -4.497 -3.578 612 H TYR 85 H TYR 85 5.721 -2.847 -2.390 613 HA TYR 85 HA TYR 85 6.591 -0.762 -0.498 614 HB2 TYR 85 HB3 TYR 85 4.533 -0.877 0.537 615 HB3 TYR 85 HB2 TYR 85 4.074 -1.226 -1.104 616 HD1 TYR 85 HD1 TYR 85 3.395 -3.476 -1.765 617 HD2 TYR 85 HD2 TYR 85 4.472 -2.603 2.255 618 HE1 TYR 85 HE1 TYR 85 2.377 -5.595 -1.039 619 HE2 TYR 85 HE2 TYR 85 3.456 -4.717 2.990 620 HH TYR 85 HH TYR 85 2.510 -7.163 0.810 621 H VAL 86 H VAL 86 7.305 -1.313 1.557 622 HA VAL 86 HA VAL 86 8.282 -4.075 1.794 623 HB VAL 86 HB VAL 86 9.082 -1.606 3.346 624 HG11 VAL 86 HG11 VAL 86 11.009 -3.075 4.039 625 HG12 VAL 86 HG12 VAL 86 9.443 -3.490 4.739 626 HG13 VAL 86 HG13 VAL 86 10.092 -4.442 3.401 627 HG21 VAL 86 HG21 VAL 86 10.340 -1.111 1.581 628 HG22 VAL 86 HG22 VAL 86 11.240 -2.603 1.864 629 HG23 VAL 86 HG23 VAL 86 9.862 -2.599 0.760 630 H VAL 87 H VAL 87 7.374 -5.458 3.160 631 HA VAL 87 HA VAL 87 5.199 -4.648 4.847 632 HB VAL 87 HB VAL 87 5.166 -7.030 5.561 633 HG11 VAL 87 HG11 VAL 87 4.753 -7.945 3.209 634 HG12 VAL 87 HG12 VAL 87 3.801 -6.548 3.719 635 HG13 VAL 87 HG13 VAL 87 5.186 -6.331 2.640 636 HG21 VAL 87 HG21 VAL 87 7.490 -7.321 3.655 637 HG22 VAL 87 HG22 VAL 87 7.586 -7.445 5.412 638 HG23 VAL 87 HG23 VAL 87 6.657 -8.631 4.496 639 H ASN 88 H ASN 88 5.139 -4.321 7.004 640 HA ASN 88 HA ASN 88 7.457 -5.036 8.637 641 HB2 ASN 88 HB3 ASN 88 7.729 -2.664 7.712 642 HB3 ASN 88 HB2 ASN 88 6.366 -2.225 8.733 643 HD21 ASN 88 HD21 ASN 88 7.002 -1.264 10.508 644 HD22 ASN 88 HD22 ASN 88 8.409 -1.670 11.447 645 H TYR 89 H TYR 89 6.956 -5.496 10.731 646 HA TYR 89 HA TYR 89 4.701 -4.576 12.131 647 HB2 TYR 89 HB3 TYR 89 3.534 -6.917 12.148 648 HB3 TYR 89 HB2 TYR 89 3.201 -5.786 10.840 649 HD1 TYR 89 HD2 TYR 89 6.018 -8.170 11.458 650 HD2 TYR 89 HD1 TYR 89 2.847 -6.973 8.889 651 HE1 TYR 89 HE2 TYR 89 6.711 -9.868 9.824 652 HE2 TYR 89 HE1 TYR 89 3.528 -8.668 7.246 653 HH TYR 89 HH TYR 89 6.445 -10.610 7.713 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -43.008 11.644 -11.752 2 H2 MET 1 H2 MET 1 -44.001 12.930 -11.447 3 H3 MET 1 H3 MET 1 -42.405 13.183 -11.795 4 HA MET 1 HA MET 1 -42.655 13.485 -9.532 5 HB2 MET 1 HB3 MET 1 -43.974 10.763 -9.584 6 HB3 MET 1 HB2 MET 1 -43.567 11.656 -8.123 7 HG2 MET 1 HG3 MET 1 -45.749 12.238 -8.321 8 HG3 MET 1 HG2 MET 1 -45.020 13.529 -9.276 9 HE1 MET 1 HE1 MET 1 -48.431 11.202 -10.469 10 HE2 MET 1 HE2 MET 1 -47.303 10.110 -9.659 11 HE3 MET 1 HE3 MET 1 -47.761 11.636 -8.894 12 H ALA 2 H ALA 2 -40.550 13.464 -9.099 13 HA ALA 2 HA ALA 2 -39.200 11.090 -8.357 14 HB1 ALA 2 HB1 ALA 2 -37.581 12.010 -10.556 15 HB2 ALA 2 HB2 ALA 2 -37.614 12.037 -10.574 16 HB3 ALA 2 HB3 ALA 2 -39.204 11.516 -11.118 17 H GLY 3 H GLY 3 -37.183 11.495 -7.396 18 HA2 GLY 3 HA3 GLY 3 -36.793 14.296 -6.674 19 HA3 GLY 3 HA2 GLY 3 -36.028 12.904 -5.918 20 H SER 4 H SER 4 -33.948 13.678 -5.998 21 HA SER 4 HA SER 4 -32.843 14.186 -8.689 22 HB2 SER 4 HB3 SER 4 -32.233 15.295 -5.988 23 HB3 SER 4 HB2 SER 4 -30.887 15.106 -7.116 24 HG SER 4 HG SER 4 -31.949 16.429 -8.574 25 H HIS 5 H HIS 5 -31.843 12.484 -9.514 26 HA HIS 5 HA HIS 5 -30.481 10.609 -7.696 27 HB2 HIS 5 HB3 HIS 5 -32.293 9.871 -9.403 28 HB3 HIS 5 HB2 HIS 5 -31.023 10.077 -10.608 29 HD1 HIS 5 HD1 HIS 5 -31.761 8.078 -7.472 30 HD2 HIS 5 HD2 HIS 5 -29.298 7.970 -10.824 31 HE1 HIS 5 HE1 HIS 5 -30.610 5.838 -7.398 32 HE2 HIS 5 HE2 HIS 5 -29.104 5.776 -9.453 33 H HIS 6 H HIS 6 -29.361 13.179 -8.504 34 HA HIS 6 HA HIS 6 -27.007 12.212 -10.008 35 HB2 HIS 6 HB3 HIS 6 -28.542 14.054 -11.032 36 HB3 HIS 6 HB2 HIS 6 -27.764 15.118 -9.860 37 HD1 HIS 6 HD1 HIS 6 -25.293 15.723 -10.259 38 HD2 HIS 6 HD2 HIS 6 -26.899 13.181 -13.138 39 HE1 HIS 6 HE1 HIS 6 -23.625 15.694 -12.146 40 HE2 HIS 6 HE2 HIS 6 -24.612 14.137 -13.907 41 H HIS 7 H HIS 7 -25.057 12.414 -9.079 42 HA HIS 7 HA HIS 7 -24.966 13.592 -6.391 43 HB2 HIS 7 HB3 HIS 7 -23.130 11.660 -7.817 44 HB3 HIS 7 HB2 HIS 7 -22.773 12.349 -6.235 45 HD1 HIS 7 HD1 HIS 7 -25.562 10.332 -7.873 46 HD2 HIS 7 HD2 HIS 7 -23.694 10.841 -4.190 47 HE1 HIS 7 HE1 HIS 7 -26.603 8.623 -6.342 48 HE2 HIS 7 HE2 HIS 7 -25.455 8.938 -4.088 49 H HIS 8 H HIS 8 -23.180 14.921 -5.753 50 HA HIS 8 HA HIS 8 -22.448 16.813 -7.808 51 HB2 HIS 8 HB3 HIS 8 -21.507 18.128 -6.011 52 HB3 HIS 8 HB2 HIS 8 -23.075 17.509 -5.499 53 HD1 HIS 8 HD1 HIS 8 -19.385 17.029 -4.908 54 HD2 HIS 8 HD2 HIS 8 -23.030 15.862 -3.279 55 HE1 HIS 8 HE1 HIS 8 -18.824 15.930 -2.713 56 HE2 HIS 8 HE2 HIS 8 -21.060 15.217 -1.718 57 H HIS 9 H HIS 9 -20.494 17.109 -8.747 58 HA HIS 9 HA HIS 9 -18.409 15.123 -8.101 59 HB2 HIS 9 HB3 HIS 9 -19.243 16.462 -10.652 60 HB3 HIS 9 HB2 HIS 9 -17.583 15.894 -10.474 61 HD1 HIS 9 HD1 HIS 9 -18.325 14.278 -12.507 62 HD2 HIS 9 HD2 HIS 9 -20.041 13.512 -8.794 63 HE1 HIS 9 HE1 HIS 9 -19.244 11.936 -12.653 64 HE2 HIS 9 HE2 HIS 9 -20.291 11.472 -10.376 65 H HIS 10 H HIS 10 -18.864 17.709 -6.746 66 HA HIS 10 HA HIS 10 -16.904 19.580 -7.600 67 HB2 HIS 10 HB3 HIS 10 -18.530 19.183 -5.120 68 HB3 HIS 10 HB2 HIS 10 -17.161 20.291 -5.066 69 HD1 HIS 10 HD1 HIS 10 -20.666 20.227 -5.780 70 HD2 HIS 10 HD2 HIS 10 -17.392 22.314 -7.278 71 HE1 HIS 10 HE1 HIS 10 -21.624 22.239 -6.955 72 HE2 HIS 10 HE2 HIS 10 -19.615 23.513 -7.870 73 H GLY 11 H GLY 11 -16.842 16.805 -5.447 74 HA2 GLY 11 HA3 GLY 11 -14.308 17.367 -4.269 75 HA3 GLY 11 HA2 GLY 11 -15.125 15.808 -4.280 76 H SER 12 H SER 12 -13.338 14.575 -4.743 77 HA SER 12 HA SER 12 -12.138 15.024 -7.406 78 HB2 SER 12 HB3 SER 12 -10.076 13.970 -6.536 79 HB3 SER 12 HB2 SER 12 -10.494 15.433 -5.640 80 HG SER 12 HG SER 12 -10.088 13.022 -4.669 81 H MET 13 H MET 13 -11.042 12.888 -8.182 82 HA MET 13 HA MET 13 -13.139 10.851 -8.117 83 HB2 MET 13 HB3 MET 13 -10.902 11.538 -9.969 84 HB3 MET 13 HB2 MET 13 -11.467 9.871 -9.936 85 HG2 MET 13 HG3 MET 13 -13.664 10.517 -10.577 86 HG3 MET 13 HG2 MET 13 -13.286 12.226 -10.361 87 HE1 MET 13 HE1 MET 13 -13.845 11.265 -14.268 88 HE2 MET 13 HE2 MET 13 -14.145 9.950 -13.129 89 HE3 MET 13 HE3 MET 13 -14.725 11.579 -12.769 90 H SER 14 H SER 14 -12.926 8.893 -7.205 91 HA SER 14 HA SER 14 -10.882 8.405 -5.331 92 HB2 SER 14 HB3 SER 14 -11.893 6.215 -5.044 93 HB3 SER 14 HB2 SER 14 -13.171 7.418 -5.233 94 HG SER 14 HG SER 14 -13.832 6.336 -6.896 95 H GLU 15 H GLU 15 -8.898 7.612 -5.536 96 HA GLU 15 HA GLU 15 -8.097 6.529 -8.145 97 HB2 GLU 15 HB3 GLU 15 -6.552 7.649 -5.809 98 HB3 GLU 15 HB2 GLU 15 -5.760 6.785 -7.117 99 HG2 GLU 15 HG3 GLU 15 -7.548 9.116 -7.681 100 HG3 GLU 15 HG2 GLU 15 -5.864 9.348 -7.209 101 H TYR 16 H TYR 16 -6.041 4.944 -7.697 102 HA TYR 16 HA TYR 16 -7.025 2.847 -5.865 103 HB2 TYR 16 HB3 TYR 16 -6.238 1.169 -7.512 104 HB3 TYR 16 HB2 TYR 16 -7.529 2.181 -8.147 105 HD1 TYR 16 HD1 TYR 16 -3.865 1.617 -8.229 106 HD2 TYR 16 HD2 TYR 16 -7.202 3.509 -10.079 107 HE1 TYR 16 HE1 TYR 16 -2.463 2.189 -10.162 108 HE2 TYR 16 HE2 TYR 16 -5.804 4.084 -12.020 109 HH TYR 16 HH TYR 16 -2.551 2.851 -12.373 110 H ILE 17 H ILE 17 -5.266 1.155 -5.452 111 HA ILE 17 HA ILE 17 -2.676 2.536 -5.108 112 HB ILE 17 HB ILE 17 -3.626 2.319 -2.937 113 HG12 ILE 17 HG13 ILE 17 -1.687 0.044 -3.375 114 HG13 ILE 17 HG12 ILE 17 -1.247 1.712 -3.113 115 HG21 ILE 17 HG21 ILE 17 -3.966 -0.437 -2.514 116 HG22 ILE 17 HG22 ILE 17 -5.207 0.812 -2.557 117 HG23 ILE 17 HG23 ILE 17 -4.784 -0.060 -4.026 118 HD11 ILE 17 HD11 ILE 17 -0.937 0.597 -1.061 119 HD12 ILE 17 HD12 ILE 17 -2.405 1.563 -0.891 120 HD13 ILE 17 HD13 ILE 17 -2.519 -0.177 -1.165 121 H ARG 18 H ARG 18 -1.031 1.623 -6.131 122 HA ARG 18 HA ARG 18 -1.198 -1.260 -6.756 123 HB2 ARG 18 HB3 ARG 18 -0.657 1.055 -8.462 124 HB3 ARG 18 HB2 ARG 18 0.561 -0.198 -8.595 125 HG2 ARG 18 HG3 ARG 18 -1.484 -1.786 -8.851 126 HG3 ARG 18 HG2 ARG 18 -2.333 -0.297 -9.282 127 HD2 ARG 18 HD3 ARG 18 -1.546 -0.527 -11.348 128 HD3 ARG 18 HD2 ARG 18 0.073 -0.233 -10.710 129 HE ARG 18 HE ARG 18 -0.334 -2.892 -10.269 130 HH11 ARG 18 HH11 ARG 18 -0.513 -0.821 -13.069 131 HH12 ARG 18 HH12 ARG 18 -0.061 -2.071 -14.183 132 HH21 ARG 18 HH21 ARG 18 0.262 -4.541 -11.725 133 HH22 ARG 18 HH22 ARG 18 0.378 -4.186 -13.419 134 H VAL 19 H VAL 19 0.086 -2.210 -5.291 135 HA VAL 19 HA VAL 19 2.912 -1.493 -5.293 136 HB VAL 19 HB VAL 19 2.996 -1.642 -2.784 137 HG11 VAL 19 HG11 VAL 19 2.765 0.498 -4.371 138 HG12 VAL 19 HG12 VAL 19 1.326 0.727 -3.378 139 HG13 VAL 19 HG13 VAL 19 2.919 0.616 -2.617 140 HG21 VAL 19 HG21 VAL 19 0.276 -0.724 -2.404 141 HG22 VAL 19 HG22 VAL 19 0.324 -2.359 -3.063 142 HG23 VAL 19 HG23 VAL 19 1.166 -1.992 -1.558 143 H THR 20 H THR 20 4.291 -3.154 -4.513 144 HA THR 20 HA THR 20 2.971 -5.787 -4.251 145 HB THR 20 HB THR 20 3.940 -5.910 -6.377 146 HG1 THR 20 HG1 THR 20 4.620 -7.677 -5.127 147 HG21 THR 20 HG21 THR 20 6.229 -4.365 -5.185 148 HG22 THR 20 HG22 THR 20 5.205 -3.936 -6.556 149 HG23 THR 20 HG23 THR 20 6.390 -5.234 -6.710 150 H GLU 21 H GLU 21 4.068 -7.362 -2.975 151 HA GLU 21 HA GLU 21 5.208 -6.317 -0.605 152 HB2 GLU 21 HB3 GLU 21 3.953 -8.590 -1.122 153 HB3 GLU 21 HB2 GLU 21 5.575 -9.176 -1.351 154 HG2 GLU 21 HG3 GLU 21 5.724 -7.786 1.024 155 HG3 GLU 21 HG2 GLU 21 4.154 -8.562 1.094 156 H ASP 22 H ASP 22 6.596 -7.854 -3.463 157 HA ASP 22 HA ASP 22 9.232 -6.882 -2.620 158 HB2 ASP 22 HB3 ASP 22 10.165 -9.094 -3.588 159 HB3 ASP 22 HB2 ASP 22 9.470 -9.117 -1.968 160 H GLU 23 H GLU 23 10.818 -7.553 -4.612 161 HA GLU 23 HA GLU 23 9.714 -6.077 -6.855 162 HB2 GLU 23 HB3 GLU 23 12.481 -7.245 -6.486 163 HB3 GLU 23 HB2 GLU 23 11.994 -6.105 -7.732 164 HG2 GLU 23 HG3 GLU 23 11.436 -5.204 -5.002 165 HG3 GLU 23 HG2 GLU 23 13.148 -5.446 -5.356 166 H ASN 24 H ASN 24 10.539 -9.358 -6.037 167 HA ASN 24 HA ASN 24 10.665 -10.407 -8.667 168 HB2 ASN 24 HB3 ASN 24 11.578 -11.631 -6.763 169 HB3 ASN 24 HB2 ASN 24 9.971 -11.765 -6.051 170 HD21 ASN 24 HD21 ASN 24 9.433 -13.828 -6.140 171 HD22 ASN 24 HD22 ASN 24 9.534 -14.841 -7.546 172 H ASP 25 H ASP 25 8.044 -9.501 -6.609 173 HA ASP 25 HA ASP 25 6.118 -10.858 -8.378 174 HB2 ASP 25 HB3 ASP 25 5.888 -9.778 -5.571 175 HB3 ASP 25 HB2 ASP 25 4.471 -10.204 -6.530 176 H GLU 26 H GLU 26 4.910 -9.723 -9.752 177 HA GLU 26 HA GLU 26 5.382 -7.021 -10.291 178 HB2 GLU 26 HB3 GLU 26 3.369 -9.033 -11.139 179 HB3 GLU 26 HB2 GLU 26 2.958 -7.345 -11.413 180 HG2 GLU 26 HG3 GLU 26 4.378 -7.155 -13.115 181 HG3 GLU 26 HG2 GLU 26 5.668 -7.993 -12.250 182 HA PRO 27 HA PRO 27 2.885 -4.698 -7.533 183 HB2 PRO 27 HB3 PRO 27 1.931 -2.731 -9.130 184 HB3 PRO 27 HB2 PRO 27 3.612 -2.808 -8.619 185 HG2 PRO 27 HG3 PRO 27 2.386 -3.670 -11.214 186 HG3 PRO 27 HG2 PRO 27 3.899 -2.788 -10.930 187 HD2 PRO 27 HD3 PRO 27 3.833 -5.445 -11.451 188 HD3 PRO 27 HD2 PRO 27 5.063 -4.708 -10.402 189 H ILE 28 H ILE 28 1.001 -5.292 -6.683 190 HA ILE 28 HA ILE 28 -1.174 -6.159 -8.428 191 HB ILE 28 HB ILE 28 -0.698 -7.624 -6.581 192 HG12 ILE 28 HG13 ILE 28 -2.893 -7.712 -5.491 193 HG13 ILE 28 HG12 ILE 28 -3.227 -6.060 -6.002 194 HG21 ILE 28 HG21 ILE 28 -1.024 -5.163 -4.878 195 HG22 ILE 28 HG22 ILE 28 -1.045 -6.800 -4.223 196 HG23 ILE 28 HG23 ILE 28 0.399 -6.198 -5.037 197 HD11 ILE 28 HD11 ILE 28 -3.882 -8.393 -7.349 198 HD12 ILE 28 HD12 ILE 28 -3.964 -6.745 -7.977 199 HD13 ILE 28 HD13 ILE 28 -2.521 -7.724 -8.253 200 H GLU 29 H GLU 29 -3.076 -5.119 -8.690 201 HA GLU 29 HA GLU 29 -3.292 -2.451 -7.474 202 HB2 GLU 29 HB3 GLU 29 -5.036 -2.090 -9.264 203 HB3 GLU 29 HB2 GLU 29 -3.393 -2.343 -9.847 204 HG2 GLU 29 HG3 GLU 29 -3.924 -4.227 -10.926 205 HG3 GLU 29 HG2 GLU 29 -4.961 -4.801 -9.621 206 H ILE 30 H ILE 30 -4.659 -2.134 -5.860 207 HA ILE 30 HA ILE 30 -7.035 -3.876 -5.662 208 HB ILE 30 HB ILE 30 -6.691 -3.327 -3.083 209 HG12 ILE 30 HG13 ILE 30 -3.826 -3.717 -3.838 210 HG13 ILE 30 HG12 ILE 30 -4.489 -2.102 -3.891 211 HG21 ILE 30 HG21 ILE 30 -6.920 -5.553 -4.022 212 HG22 ILE 30 HG22 ILE 30 -5.246 -5.512 -4.578 213 HG23 ILE 30 HG23 ILE 30 -5.602 -5.519 -2.849 214 HD11 ILE 30 HD11 ILE 30 -5.079 -2.210 -1.560 215 HD12 ILE 30 HD12 ILE 30 -4.542 -3.890 -1.479 216 HD13 ILE 30 HD13 ILE 30 -3.371 -2.603 -1.771 217 HA PRO 31 HA PRO 31 -9.485 -0.261 -5.227 218 HB2 PRO 31 HB3 PRO 31 -11.350 -1.050 -3.415 219 HB3 PRO 31 HB2 PRO 31 -11.316 -1.644 -5.083 220 HG2 PRO 31 HG3 PRO 31 -10.300 -2.946 -2.584 221 HG3 PRO 31 HG2 PRO 31 -11.209 -3.662 -3.929 222 HD2 PRO 31 HD3 PRO 31 -8.527 -3.935 -3.675 223 HD3 PRO 31 HD2 PRO 31 -9.335 -3.861 -5.257 224 H SER 32 H SER 32 -9.550 1.603 -4.077 225 HA SER 32 HA SER 32 -8.686 1.514 -1.257 226 HB2 SER 32 HB3 SER 32 -7.151 3.261 -1.545 227 HB3 SER 32 HB2 SER 32 -6.904 2.277 -2.988 228 HG SER 32 HG SER 32 -7.114 4.294 -3.766 229 H GLU 33 H GLU 33 -8.968 3.939 -0.373 230 HA GLU 33 HA GLU 33 -11.813 4.432 -0.587 231 HB2 GLU 33 HB3 GLU 33 -10.244 4.514 1.532 232 HB3 GLU 33 HB2 GLU 33 -9.975 6.173 1.009 233 HG2 GLU 33 HG3 GLU 33 -11.747 5.993 2.692 234 HG3 GLU 33 HG2 GLU 33 -12.334 6.650 1.164 235 H ASP 34 H ASP 34 -12.685 6.612 -0.880 236 HA ASP 34 HA ASP 34 -11.695 7.805 -3.259 237 HB2 ASP 34 HB3 ASP 34 -14.097 7.774 -2.573 238 HB3 ASP 34 HB2 ASP 34 -13.713 8.947 -1.313 239 H ASP 35 H ASP 35 -11.267 8.481 0.133 240 HA ASP 35 HA ASP 35 -10.285 11.135 -0.143 241 HB2 ASP 35 HB3 ASP 35 -9.631 9.177 2.065 242 HB3 ASP 35 HB2 ASP 35 -9.578 10.938 2.149 243 H GLY 36 H GLY 36 -8.920 8.056 -0.767 244 HA2 GLY 36 HA3 GLY 36 -6.891 8.082 -2.142 245 HA3 GLY 36 HA2 GLY 36 -6.268 9.325 -1.086 246 H THR 37 H THR 37 -7.683 7.535 1.097 247 HA THR 37 HA THR 37 -5.236 6.101 1.750 248 HB THR 37 HB THR 37 -6.163 5.734 3.909 249 HG1 THR 37 HG1 THR 37 -8.634 6.364 2.657 250 HG21 THR 37 HG21 THR 37 -7.457 8.308 3.755 251 HG22 THR 37 HG22 THR 37 -5.973 8.297 2.798 252 HG23 THR 37 HG23 THR 37 -5.921 7.869 4.510 253 H VAL 38 H VAL 38 -5.912 3.895 3.040 254 HA VAL 38 HA VAL 38 -7.661 2.304 1.296 255 HB VAL 38 HB VAL 38 -4.777 1.656 1.918 256 HG11 VAL 38 HG11 VAL 38 -5.573 -0.419 0.405 257 HG12 VAL 38 HG12 VAL 38 -5.559 -0.449 2.171 258 HG13 VAL 38 HG13 VAL 38 -7.062 -0.116 1.302 259 HG21 VAL 38 HG21 VAL 38 -6.038 1.514 -0.782 260 HG22 VAL 38 HG22 VAL 38 -5.604 3.089 -0.119 261 HG23 VAL 38 HG23 VAL 38 -4.364 1.857 -0.333 262 H LEU 39 H LEU 39 -9.062 1.241 2.513 263 HA LEU 39 HA LEU 39 -8.933 1.102 5.313 264 HB2 LEU 39 HB3 LEU 39 -10.595 -0.168 3.200 265 HB3 LEU 39 HB2 LEU 39 -10.658 -0.856 4.824 266 HG LEU 39 HG LEU 39 -11.212 2.049 4.243 267 HD11 LEU 39 HD11 LEU 39 -13.635 1.034 4.796 268 HD12 LEU 39 HD12 LEU 39 -12.923 -0.339 3.944 269 HD13 LEU 39 HD13 LEU 39 -13.017 1.237 3.155 270 HD21 LEU 39 HD21 LEU 39 -12.526 0.903 6.525 271 HD22 LEU 39 HD22 LEU 39 -11.404 2.262 6.444 272 HD23 LEU 39 HD23 LEU 39 -10.788 0.616 6.619 273 H LEU 40 H LEU 40 -8.476 -0.570 6.746 274 HA LEU 40 HA LEU 40 -6.277 -2.197 6.122 275 HB2 LEU 40 HB3 LEU 40 -6.916 -1.434 8.393 276 HB3 LEU 40 HB2 LEU 40 -8.266 -2.564 8.361 277 HG LEU 40 HG LEU 40 -6.768 -4.446 8.367 278 HD11 LEU 40 HD11 LEU 40 -4.248 -3.801 8.728 279 HD12 LEU 40 HD12 LEU 40 -4.711 -2.358 7.823 280 HD13 LEU 40 HD13 LEU 40 -4.920 -3.958 7.103 281 HD21 LEU 40 HD21 LEU 40 -7.309 -3.189 10.510 282 HD22 LEU 40 HD22 LEU 40 -5.678 -2.519 10.405 283 HD23 LEU 40 HD23 LEU 40 -5.909 -4.265 10.551 284 H SER 41 H SER 41 -9.641 -2.666 5.621 285 HA SER 41 HA SER 41 -9.738 -5.493 5.651 286 HB2 SER 41 HB3 SER 41 -11.669 -3.734 5.585 287 HB3 SER 41 HB2 SER 41 -11.476 -3.846 3.833 288 HG SER 41 HG SER 41 -12.710 -5.546 5.512 289 H THR 42 H THR 42 -8.873 -3.145 3.182 290 HA THR 42 HA THR 42 -8.703 -5.140 1.090 291 HB THR 42 HB THR 42 -7.621 -2.319 1.005 292 HG1 THR 42 HG1 THR 42 -9.732 -1.973 1.403 293 HG21 THR 42 HG21 THR 42 -7.080 -4.136 -0.777 294 HG22 THR 42 HG22 THR 42 -7.599 -2.538 -1.306 295 HG23 THR 42 HG23 THR 42 -8.746 -3.879 -1.294 296 H VAL 43 H VAL 43 -6.534 -3.519 3.316 297 HA VAL 43 HA VAL 43 -4.089 -4.192 2.059 298 HB VAL 43 HB VAL 43 -4.796 -3.552 4.921 299 HG11 VAL 43 HG11 VAL 43 -2.191 -4.463 3.770 300 HG12 VAL 43 HG12 VAL 43 -2.208 -3.294 5.093 301 HG13 VAL 43 HG13 VAL 43 -2.949 -4.882 5.311 302 HG21 VAL 43 HG21 VAL 43 -3.856 -2.071 2.557 303 HG22 VAL 43 HG22 VAL 43 -4.802 -1.520 3.943 304 HG23 VAL 43 HG23 VAL 43 -3.048 -1.663 4.072 305 H THR 44 H THR 44 -6.184 -5.933 4.280 306 HA THR 44 HA THR 44 -4.274 -8.070 4.682 307 HB THR 44 HB THR 44 -5.980 -9.146 6.009 308 HG1 THR 44 HG1 THR 44 -8.083 -7.902 6.131 309 HG21 THR 44 HG21 THR 44 -5.060 -6.498 6.473 310 HG22 THR 44 HG22 THR 44 -5.514 -7.725 7.660 311 HG23 THR 44 HG23 THR 44 -6.726 -6.598 7.050 312 H ALA 45 H ALA 45 -6.551 -7.245 2.309 313 HA ALA 45 HA ALA 45 -7.444 -9.813 1.515 314 HB1 ALA 45 HB1 ALA 45 -7.119 -7.390 -0.263 315 HB2 ALA 45 HB2 ALA 45 -7.128 -7.369 -0.225 316 HB3 ALA 45 HB3 ALA 45 -8.497 -7.660 0.844 317 H GLN 46 H GLN 46 -4.720 -7.794 0.454 318 HA GLN 46 HA GLN 46 -3.662 -10.131 -1.006 319 HB2 GLN 46 HB3 GLN 46 -3.052 -7.200 -1.447 320 HB3 GLN 46 HB2 GLN 46 -2.395 -8.538 -2.369 321 HG2 GLN 46 HG3 GLN 46 -5.312 -7.822 -2.216 322 HG3 GLN 46 HG2 GLN 46 -4.223 -7.364 -3.524 323 HE21 GLN 46 HE21 GLN 46 -6.356 -9.689 -2.365 324 HE22 GLN 46 HE22 GLN 46 -6.006 -10.949 -3.506 325 H PHE 47 H PHE 47 -3.123 -7.876 1.540 326 HA PHE 47 HA PHE 47 -0.466 -9.078 2.007 327 HB2 PHE 47 HB3 PHE 47 -1.088 -6.278 2.880 328 HB3 PHE 47 HB2 PHE 47 0.461 -7.028 2.618 329 HD1 PHE 47 HD2 PHE 47 0.361 -8.100 -0.030 330 HD2 PHE 47 HD1 PHE 47 -1.338 -4.491 1.459 331 HE1 PHE 47 HE2 PHE 47 0.441 -7.138 -2.289 332 HE2 PHE 47 HE1 PHE 47 -1.262 -3.519 -0.801 333 HZ PHE 47 HZ PHE 47 -0.378 -4.839 -2.680 334 HA PRO 48 HA PRO 48 -3.253 -9.829 5.638 335 HB2 PRO 48 HB3 PRO 48 -2.505 -12.422 5.962 336 HB3 PRO 48 HB2 PRO 48 -3.797 -11.921 4.865 337 HG2 PRO 48 HG3 PRO 48 -0.941 -12.585 4.252 338 HG3 PRO 48 HG2 PRO 48 -2.409 -13.046 3.376 339 HD2 PRO 48 HD3 PRO 48 -0.811 -11.020 2.565 340 HD3 PRO 48 HD2 PRO 48 -2.568 -11.009 2.305 341 H GLY 49 H GLY 49 -2.550 -9.312 7.613 342 HA2 GLY 49 HA3 GLY 49 -1.201 -9.391 9.509 343 HA3 GLY 49 HA2 GLY 49 -0.049 -10.373 8.633 344 H ALA 50 H ALA 50 -0.849 -7.712 6.788 345 HA ALA 50 HA ALA 50 1.723 -6.480 7.343 346 HB1 ALA 50 HB1 ALA 50 -0.383 -6.048 5.236 347 HB2 ALA 50 HB2 ALA 50 -0.369 -6.088 5.233 348 HB3 ALA 50 HB3 ALA 50 1.288 -6.652 5.055 349 H CYS 51 H CYS 51 1.938 -4.997 8.868 350 HA CYS 51 HA CYS 51 -0.391 -3.383 9.638 351 HB2 CYS 51 HB3 CYS 51 2.117 -4.239 11.001 352 HB3 CYS 51 HB2 CYS 51 1.415 -2.704 11.482 353 HG CYS 51 HG CYS 51 -0.986 -4.923 11.388 354 H GLY 52 H GLY 52 3.088 -2.959 8.958 355 HA2 GLY 52 HA3 GLY 52 2.458 -0.203 8.106 356 HA3 GLY 52 HA2 GLY 52 3.926 -0.609 8.940 357 H LEU 53 H LEU 53 2.983 0.374 6.098 358 HA LEU 53 HA LEU 53 4.781 -1.425 4.597 359 HB2 LEU 53 HB3 LEU 53 2.612 0.303 3.426 360 HB3 LEU 53 HB2 LEU 53 3.547 -0.944 2.612 361 HG LEU 53 HG LEU 53 1.512 -1.980 2.921 362 HD11 LEU 53 HD11 LEU 53 3.606 -3.029 4.203 363 HD12 LEU 53 HD12 LEU 53 2.017 -3.795 4.180 364 HD13 LEU 53 HD13 LEU 53 2.512 -2.834 5.573 365 HD21 LEU 53 HD21 LEU 53 1.250 -1.086 5.771 366 HD22 LEU 53 HD22 LEU 53 -0.001 -1.634 4.654 367 HD23 LEU 53 HD23 LEU 53 0.740 -0.045 4.441 368 H ARG 54 H ARG 54 6.382 -0.551 3.341 369 HA ARG 54 HA ARG 54 6.850 2.336 3.721 370 HB2 ARG 54 HB3 ARG 54 8.500 0.385 4.467 371 HB3 ARG 54 HB2 ARG 54 9.022 0.515 2.795 372 HG2 ARG 54 HG3 ARG 54 9.743 2.726 3.076 373 HG3 ARG 54 HG2 ARG 54 8.848 2.918 4.586 374 HD2 ARG 54 HD3 ARG 54 10.950 2.602 5.423 375 HD3 ARG 54 HD2 ARG 54 10.406 0.924 5.350 376 HE ARG 54 HE ARG 54 11.626 1.529 2.912 377 HH11 ARG 54 HH11 ARG 54 12.481 1.241 6.280 378 HH12 ARG 54 HH12 ARG 54 14.116 0.760 5.957 379 HH21 ARG 54 HH21 ARG 54 13.773 0.897 2.479 380 HH22 ARG 54 HH22 ARG 54 14.850 0.566 3.795 381 H TYR 55 H TYR 55 8.240 3.305 1.906 382 HA TYR 55 HA TYR 55 7.058 2.475 -0.668 383 HB2 TYR 55 HB3 TYR 55 7.752 5.137 0.484 384 HB3 TYR 55 HB2 TYR 55 7.811 4.936 -1.251 385 HD1 TYR 55 HD1 TYR 55 5.561 3.283 -1.899 386 HD2 TYR 55 HD2 TYR 55 5.854 6.329 1.056 387 HE1 TYR 55 HE1 TYR 55 3.129 3.631 -2.021 388 HE2 TYR 55 HE2 TYR 55 3.426 6.683 0.943 389 HH TYR 55 HH TYR 55 1.541 5.748 -1.470 390 H ARG 56 H ARG 56 8.362 1.726 -2.195 391 HA ARG 56 HA ARG 56 11.226 2.412 -2.075 392 HB2 ARG 56 HB3 ARG 56 11.092 0.180 -1.230 393 HB3 ARG 56 HB2 ARG 56 9.985 -0.302 -2.505 394 HG2 ARG 56 HG3 ARG 56 12.227 -1.181 -2.877 395 HG3 ARG 56 HG2 ARG 56 11.746 -0.069 -4.161 396 HD2 ARG 56 HD3 ARG 56 13.036 1.718 -3.103 397 HD3 ARG 56 HD2 ARG 56 13.503 0.615 -1.804 398 HE ARG 56 HE ARG 56 14.206 -0.310 -4.445 399 HH11 ARG 56 HH11 ARG 56 15.195 1.609 -1.703 400 HH12 ARG 56 HH12 ARG 56 16.887 1.493 -2.068 401 HH21 ARG 56 HH21 ARG 56 16.430 -0.470 -4.927 402 HH22 ARG 56 HH22 ARG 56 17.588 0.312 -3.900 403 H ASN 57 H ASN 57 11.480 3.717 -3.780 404 HA ASN 57 HA ASN 57 10.520 2.738 -6.394 405 HB2 ASN 57 HB3 ASN 57 9.798 5.149 -5.073 406 HB3 ASN 57 HB2 ASN 57 10.787 5.578 -6.452 407 HD21 ASN 57 HD21 ASN 57 10.170 3.913 -8.379 408 HD22 ASN 57 HD22 ASN 57 8.482 3.966 -8.769 409 HA PRO 58 HA PRO 58 14.916 2.964 -7.162 410 HB2 PRO 58 HB3 PRO 58 14.788 1.907 -9.662 411 HB3 PRO 58 HB2 PRO 58 14.692 0.928 -8.202 412 HG2 PRO 58 HG3 PRO 58 12.487 1.914 -9.962 413 HG3 PRO 58 HG2 PRO 58 12.700 0.311 -9.228 414 HD2 PRO 58 HD3 PRO 58 11.034 2.175 -8.191 415 HD3 PRO 58 HD2 PRO 58 11.894 1.011 -7.180 416 H VAL 59 H VAL 59 12.341 4.309 -9.101 417 HA VAL 59 HA VAL 59 14.157 5.899 -10.718 418 HB VAL 59 HB VAL 59 12.061 6.866 -11.678 419 HG11 VAL 59 HG11 VAL 59 11.461 4.908 -12.937 420 HG12 VAL 59 HG12 VAL 59 13.198 4.864 -12.619 421 HG13 VAL 59 HG13 VAL 59 12.103 3.847 -11.676 422 HG21 VAL 59 HG21 VAL 59 10.921 5.643 -9.357 423 HG22 VAL 59 HG22 VAL 59 10.157 6.701 -10.545 424 HG23 VAL 59 HG23 VAL 59 10.179 4.953 -10.800 425 H SER 60 H SER 60 12.103 6.271 -7.915 426 HA SER 60 HA SER 60 12.337 9.159 -7.899 427 HB2 SER 60 HB3 SER 60 11.256 7.382 -5.708 428 HB3 SER 60 HB2 SER 60 10.950 9.104 -5.941 429 HG SER 60 HG SER 60 10.144 8.206 -8.139 430 H GLN 61 H GLN 61 13.895 6.408 -6.447 431 HA GLN 61 HA GLN 61 15.735 6.200 -5.121 432 HB2 GLN 61 HB3 GLN 61 16.286 9.091 -5.816 433 HB3 GLN 61 HB2 GLN 61 17.449 7.893 -5.264 434 HG2 GLN 61 HG3 GLN 61 17.261 6.667 -7.307 435 HG3 GLN 61 HG2 GLN 61 15.921 7.680 -7.848 436 HE21 GLN 61 HE21 GLN 61 17.262 7.974 -9.750 437 HE22 GLN 61 HE22 GLN 61 18.496 9.195 -9.733 438 H CYS 62 H CYS 62 13.154 7.318 -4.080 439 HA CYS 62 HA CYS 62 14.072 8.949 -1.831 440 HB2 CYS 62 HB3 CYS 62 11.281 8.073 -2.617 441 HB3 CYS 62 HB2 CYS 62 11.672 9.181 -1.303 442 HG CYS 62 HG CYS 62 10.662 10.272 -3.907 443 H MET 63 H MET 63 12.575 8.298 0.244 444 HA MET 63 HA MET 63 12.738 5.411 0.683 445 HB2 MET 63 HB3 MET 63 14.035 5.634 2.716 446 HB3 MET 63 HB2 MET 63 14.930 6.331 1.371 447 HG2 MET 63 HG3 MET 63 13.899 8.568 2.141 448 HG3 MET 63 HG2 MET 63 13.567 7.712 3.647 449 HE1 MET 63 HE1 MET 63 16.511 9.713 4.912 450 HE2 MET 63 HE2 MET 63 15.727 10.419 3.495 451 HE3 MET 63 HE3 MET 63 14.758 9.598 4.723 452 H ARG 64 H ARG 64 10.562 7.331 0.423 453 HA ARG 64 HA ARG 64 9.489 8.026 2.937 454 HB2 ARG 64 HB3 ARG 64 8.811 8.570 0.370 455 HB3 ARG 64 HB2 ARG 64 7.583 7.378 0.772 456 HG2 ARG 64 HG3 ARG 64 7.657 9.134 2.948 457 HG3 ARG 64 HG2 ARG 64 7.752 10.149 1.506 458 HD2 ARG 64 HD3 ARG 64 5.771 8.988 0.593 459 HD3 ARG 64 HD2 ARG 64 5.663 8.046 2.081 460 HE ARG 64 HE ARG 64 4.756 10.719 1.680 461 HH11 ARG 64 HH11 ARG 64 6.116 8.558 4.055 462 HH12 ARG 64 HH12 ARG 64 5.437 9.405 5.405 463 HH21 ARG 64 HH21 ARG 64 3.857 11.839 3.452 464 HH22 ARG 64 HH22 ARG 64 4.152 11.269 5.061 465 H GLY 65 H GLY 65 7.023 7.081 3.252 466 HA2 GLY 65 HA3 GLY 65 6.853 4.225 2.998 467 HA3 GLY 65 HA2 GLY 65 7.269 4.724 4.633 468 H VAL 66 H VAL 66 4.800 3.542 3.167 469 HA VAL 66 HA VAL 66 2.660 5.297 3.232 470 HB VAL 66 HB VAL 66 2.551 2.406 4.115 471 HG11 VAL 66 HG11 VAL 66 0.504 3.604 4.572 472 HG12 VAL 66 HG12 VAL 66 0.472 4.241 2.927 473 HG13 VAL 66 HG13 VAL 66 0.257 2.512 3.209 474 HG21 VAL 66 HG21 VAL 66 3.347 1.946 2.071 475 HG22 VAL 66 HG22 VAL 66 1.776 2.487 1.478 476 HG23 VAL 66 HG23 VAL 66 3.135 3.610 1.521 477 H ARG 67 H ARG 67 1.127 5.879 4.780 478 HA ARG 67 HA ARG 67 2.112 5.750 7.548 479 HB2 ARG 67 HB3 ARG 67 1.758 7.995 6.757 480 HB3 ARG 67 HB2 ARG 67 0.137 7.594 6.190 481 HG2 ARG 67 HG3 ARG 67 -0.044 8.845 8.219 482 HG3 ARG 67 HG2 ARG 67 -0.526 7.178 8.544 483 HD2 ARG 67 HD3 ARG 67 2.317 7.581 8.950 484 HD3 ARG 67 HD2 ARG 67 1.351 8.677 9.942 485 HE ARG 67 HE ARG 67 0.152 6.297 10.362 486 HH11 ARG 67 HH11 ARG 67 3.480 7.327 10.504 487 HH12 ARG 67 HH12 ARG 67 3.919 6.181 11.730 488 HH21 ARG 67 HH21 ARG 67 0.717 4.787 11.972 489 HH22 ARG 67 HH22 ARG 67 2.348 4.736 12.563 490 H LEU 68 H LEU 68 1.151 4.476 8.978 491 HA LEU 68 HA LEU 68 -1.423 3.260 8.276 492 HB2 LEU 68 HB3 LEU 68 0.394 1.747 8.851 493 HB3 LEU 68 HB2 LEU 68 0.599 2.557 10.403 494 HG LEU 68 HG LEU 68 -0.639 0.284 10.298 495 HD11 LEU 68 HD11 LEU 68 -2.192 2.363 11.769 496 HD12 LEU 68 HD12 LEU 68 -0.493 2.111 12.169 497 HD13 LEU 68 HD13 LEU 68 -1.638 0.776 12.305 498 HD21 LEU 68 HD21 LEU 68 -2.799 0.199 9.573 499 HD22 LEU 68 HD22 LEU 68 -2.185 1.424 8.463 500 HD23 LEU 68 HD23 LEU 68 -3.096 1.910 9.891 501 H VAL 69 H VAL 69 -3.195 4.186 9.040 502 HA VAL 69 HA VAL 69 -3.178 5.184 11.812 503 HB VAL 69 HB VAL 69 -2.976 7.163 10.438 504 HG11 VAL 69 HG11 VAL 69 -3.826 6.178 8.344 505 HG12 VAL 69 HG12 VAL 69 -5.466 6.243 9.000 506 HG13 VAL 69 HG13 VAL 69 -4.570 7.734 8.708 507 HG21 VAL 69 HG21 VAL 69 -4.663 8.392 11.413 508 HG22 VAL 69 HG22 VAL 69 -5.883 7.150 11.129 509 HG23 VAL 69 HG23 VAL 69 -4.687 6.935 12.409 510 H GLU 70 H GLU 70 -4.823 4.449 12.989 511 HA GLU 70 HA GLU 70 -6.642 3.163 13.529 512 HB2 GLU 70 HB3 GLU 70 -8.731 4.019 12.736 513 HB3 GLU 70 HB2 GLU 70 -7.630 5.381 12.909 514 HG2 GLU 70 HG3 GLU 70 -7.358 5.610 10.600 515 HG3 GLU 70 HG2 GLU 70 -8.016 4.008 10.273 516 H GLY 71 H GLY 71 -4.864 2.048 11.482 517 HA2 GLY 71 HA3 GLY 71 -4.940 -0.071 10.483 518 HA3 GLY 71 HA2 GLY 71 -6.697 0.000 10.509 519 H ILE 72 H ILE 72 -6.667 2.706 9.271 520 HA ILE 72 HA ILE 72 -6.578 1.789 6.521 521 HB ILE 72 HB ILE 72 -7.372 4.460 7.691 522 HG12 ILE 72 HG13 ILE 72 -9.370 2.771 6.345 523 HG13 ILE 72 HG12 ILE 72 -8.714 2.068 7.815 524 HG21 ILE 72 HG21 ILE 72 -6.855 3.637 4.959 525 HG22 ILE 72 HG22 ILE 72 -8.503 4.226 5.173 526 HG23 ILE 72 HG23 ILE 72 -7.132 5.247 5.620 527 HD11 ILE 72 HD11 ILE 72 -10.803 3.818 7.683 528 HD12 ILE 72 HD12 ILE 72 -9.832 3.487 9.120 529 HD13 ILE 72 HD13 ILE 72 -9.453 4.875 8.095 530 H LEU 73 H LEU 73 -4.829 1.930 5.298 531 HA LEU 73 HA LEU 73 -2.558 3.498 6.092 532 HB2 LEU 73 HB3 LEU 73 -3.185 1.686 3.794 533 HB3 LEU 73 HB2 LEU 73 -1.753 2.690 3.754 534 HG LEU 73 HG LEU 73 -1.191 0.456 4.488 535 HD11 LEU 73 HD11 LEU 73 -0.682 2.837 5.985 536 HD12 LEU 73 HD12 LEU 73 0.370 1.451 5.716 537 HD13 LEU 73 HD13 LEU 73 -0.743 1.459 7.080 538 HD21 LEU 73 HD21 LEU 73 -2.079 -0.476 6.550 539 HD22 LEU 73 HD22 LEU 73 -3.381 -0.156 5.403 540 HD23 LEU 73 HD23 LEU 73 -3.115 0.935 6.761 541 H HIS 74 H HIS 74 -2.282 5.579 5.685 542 HA HIS 74 HA HIS 74 -3.887 6.875 3.620 543 HB2 HIS 74 HB3 HIS 74 -3.810 7.966 5.782 544 HB3 HIS 74 HB2 HIS 74 -2.058 7.992 5.748 545 HD1 HIS 74 HD1 HIS 74 -4.169 8.984 2.793 546 HD2 HIS 74 HD2 HIS 74 -1.810 10.747 5.731 547 HE1 HIS 74 HE1 HIS 74 -3.922 11.394 2.108 548 HE2 HIS 74 HE2 HIS 74 -2.479 12.470 3.911 549 H ALA 75 H ALA 75 -3.116 7.708 1.756 550 HA ALA 75 HA ALA 75 -0.406 6.989 0.992 551 HB1 ALA 75 HB1 ALA 75 -2.909 7.551 -0.381 552 HB2 ALA 75 HB2 ALA 75 -2.900 7.512 -0.375 553 HB3 ALA 75 HB3 ALA 75 -1.488 6.611 -0.913 554 HA PRO 76 HA PRO 76 1.490 10.926 1.374 555 HB2 PRO 76 HB3 PRO 76 3.027 11.053 -0.863 556 HB3 PRO 76 HB2 PRO 76 3.396 9.986 0.497 557 HG2 PRO 76 HG3 PRO 76 2.054 9.350 -2.092 558 HG3 PRO 76 HG2 PRO 76 3.280 8.430 -1.226 559 HD2 PRO 76 HD3 PRO 76 0.654 7.787 -1.127 560 HD3 PRO 76 HD2 PRO 76 1.748 7.519 0.240 561 H ASP 77 H ASP 77 2.171 12.884 -0.211 562 HA ASP 77 HA ASP 77 -0.346 13.961 -1.123 563 HB2 ASP 77 HB3 ASP 77 2.461 15.081 -1.051 564 HB3 ASP 77 HB2 ASP 77 1.080 15.981 -1.677 565 H ALA 78 H ALA 78 1.782 11.915 -2.534 566 HA ALA 78 HA ALA 78 1.392 13.043 -5.230 567 HB1 ALA 78 HB1 ALA 78 3.176 10.851 -5.345 568 HB2 ALA 78 HB2 ALA 78 3.177 10.842 -5.301 569 HB3 ALA 78 HB3 ALA 78 3.660 11.880 -3.965 570 H GLY 79 H GLY 79 0.742 10.324 -3.153 571 HA2 GLY 79 HA3 GLY 79 -1.325 9.101 -3.736 572 HA3 GLY 79 HA2 GLY 79 -0.722 9.051 -5.378 573 H TRP 80 H TRP 80 -1.278 6.697 -4.864 574 HA TRP 80 HA TRP 80 0.621 5.276 -3.227 575 HB2 TRP 80 HB3 TRP 80 -1.466 4.280 -5.184 576 HB3 TRP 80 HB2 TRP 80 -0.504 3.250 -4.142 577 HD1 TRP 80 HD1 TRP 80 -3.677 5.173 -4.210 578 HE1 TRP 80 HE1 TRP 80 -4.787 5.170 -1.884 579 HE3 TRP 80 HE3 TRP 80 0.229 3.348 -1.468 580 HZ2 TRP 80 HZ2 TRP 80 -4.086 4.474 0.760 581 HZ3 TRP 80 HZ3 TRP 80 -0.073 3.044 0.952 582 HH2 TRP 80 HH2 TRP 80 -2.185 3.595 2.042 583 H GLY 81 H GLY 81 -0.119 5.171 -6.727 584 HA2 GLY 81 HA3 GLY 81 1.451 5.210 -8.475 585 HA3 GLY 81 HA2 GLY 81 2.740 4.990 -7.298 586 H ASN 82 H ASN 82 3.536 3.428 -8.893 587 HA ASN 82 HA ASN 82 2.259 0.800 -8.494 588 HB2 ASN 82 HB3 ASN 82 3.721 1.550 -11.023 589 HB3 ASN 82 HB2 ASN 82 2.661 0.169 -10.742 590 HD21 ASN 82 HD21 ASN 82 2.622 2.366 -12.745 591 HD22 ASN 82 HD22 ASN 82 1.032 3.052 -12.623 592 H LEU 83 H LEU 83 4.303 1.903 -6.890 593 HA LEU 83 HA LEU 83 6.756 0.553 -7.758 594 HB2 LEU 83 HB3 LEU 83 7.677 1.628 -5.650 595 HB3 LEU 83 HB2 LEU 83 7.222 2.698 -6.970 596 HG LEU 83 HG LEU 83 6.624 3.370 -4.553 597 HD11 LEU 83 HD11 LEU 83 5.472 3.889 -7.042 598 HD12 LEU 83 HD12 LEU 83 5.322 4.851 -5.570 599 HD13 LEU 83 HD13 LEU 83 4.116 3.618 -5.948 600 HD21 LEU 83 HD21 LEU 83 4.572 2.497 -3.673 601 HD22 LEU 83 HD22 LEU 83 5.663 1.145 -3.979 602 HD23 LEU 83 HD23 LEU 83 4.336 1.483 -5.095 603 H VAL 84 H VAL 84 7.967 -0.257 -5.546 604 HA VAL 84 HA VAL 84 6.230 -2.428 -4.606 605 HB VAL 84 HB VAL 84 8.278 -3.218 -5.558 606 HG11 VAL 84 HG11 VAL 84 10.312 -2.302 -3.855 607 HG12 VAL 84 HG12 VAL 84 10.077 -1.914 -5.562 608 HG13 VAL 84 HG13 VAL 84 9.380 -0.880 -4.317 609 HG21 VAL 84 HG21 VAL 84 8.444 -3.338 -2.546 610 HG22 VAL 84 HG22 VAL 84 7.509 -4.416 -3.582 611 HG23 VAL 84 HG23 VAL 84 9.270 -4.423 -3.663 612 H TYR 85 H TYR 85 5.809 -2.810 -2.471 613 HA TYR 85 HA TYR 85 6.653 -0.692 -0.598 614 HB2 TYR 85 HB3 TYR 85 4.599 -0.816 0.446 615 HB3 TYR 85 HB2 TYR 85 4.138 -1.162 -1.193 616 HD1 TYR 85 HD2 TYR 85 4.601 -2.579 2.151 617 HD2 TYR 85 HD1 TYR 85 3.406 -3.384 -1.850 618 HE1 TYR 85 HE2 TYR 85 3.590 -4.696 2.882 619 HE2 TYR 85 HE1 TYR 85 2.394 -5.505 -1.129 620 HH TYR 85 HH TYR 85 2.610 -7.113 0.720 621 H VAL 86 H VAL 86 7.390 -1.226 1.449 622 HA VAL 86 HA VAL 86 8.392 -3.975 1.699 623 HB VAL 86 HB VAL 86 9.131 -1.522 3.304 624 HG11 VAL 86 HG11 VAL 86 10.106 -2.948 4.698 625 HG12 VAL 86 HG12 VAL 86 9.652 -4.321 3.682 626 HG13 VAL 86 HG13 VAL 86 11.162 -3.458 3.378 627 HG21 VAL 86 HG21 VAL 86 11.161 -1.453 1.987 628 HG22 VAL 86 HG22 VAL 86 10.649 -2.874 1.071 629 HG23 VAL 86 HG23 VAL 86 9.758 -1.356 0.920 630 H VAL 87 H VAL 87 7.387 -5.373 2.972 631 HA VAL 87 HA VAL 87 5.205 -4.629 4.639 632 HB VAL 87 HB VAL 87 5.322 -7.015 5.431 633 HG11 VAL 87 HG11 VAL 87 5.214 -6.375 2.492 634 HG12 VAL 87 HG12 VAL 87 4.793 -7.964 3.144 635 HG13 VAL 87 HG13 VAL 87 3.869 -6.540 3.626 636 HG21 VAL 87 HG21 VAL 87 7.146 -8.242 5.114 637 HG22 VAL 87 HG22 VAL 87 7.075 -7.966 3.372 638 HG23 VAL 87 HG23 VAL 87 7.941 -6.832 4.409 639 H ASN 88 H ASN 88 5.033 -4.468 6.845 640 HA ASN 88 HA ASN 88 7.425 -4.892 8.479 641 HB2 ASN 88 HB3 ASN 88 7.138 -2.424 7.590 642 HB3 ASN 88 HB2 ASN 88 5.925 -2.326 8.862 643 HD21 ASN 88 HD21 ASN 88 7.266 -0.724 9.830 644 HD22 ASN 88 HD22 ASN 88 8.644 -1.197 10.781 645 H TYR 89 H TYR 89 6.847 -6.071 10.166 646 HA TYR 89 HA TYR 89 4.045 -6.110 11.004 647 HB2 TYR 89 HB3 TYR 89 6.280 -7.848 12.054 648 HB3 TYR 89 HB2 TYR 89 4.545 -8.148 12.131 649 HD1 TYR 89 HD1 TYR 89 3.429 -8.057 9.629 650 HD2 TYR 89 HD2 TYR 89 7.430 -9.171 10.569 651 HE1 TYR 89 HE1 TYR 89 3.554 -9.344 7.539 652 HE2 TYR 89 HE2 TYR 89 7.567 -10.462 8.480 653 HH TYR 89 HH TYR 89 6.416 -11.278 6.739
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