NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6067 | 1ie5 | 5044 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H1 GLY 1 -4.954 -0.036 4.064 2 2H GLY 1 H2 GLY 1 -3.778 -0.710 3.136 3 3H GLY 1 H3 GLY 1 -3.383 0.195 4.436 4 1HA GLY 1 HA2 GLY 1 -4.787 1.192 2.055 5 2HA GLY 1 HA3 GLY 1 -4.288 2.159 3.478 6 H LYS 2 H LYS 2 -3.558 2.649 0.709 7 HA LYS 2 HA LYS 2 -0.658 2.828 0.971 8 1HB LYS 2 HB2 LYS 2 -0.047 1.545 -1.004 9 2HB LYS 2 HB3 LYS 2 -0.843 0.481 0.181 10 1HG LYS 2 HG2 LYS 2 -2.933 0.569 -1.170 11 2HG LYS 2 HG3 LYS 2 -2.142 1.722 -2.285 12 1HD LYS 2 HD2 LYS 2 -0.352 0.016 -2.734 13 2HD LYS 2 HD3 LYS 2 -1.277 -1.156 -1.783 14 1HE LYS 2 HE2 LYS 2 -3.141 -1.110 -3.268 15 2HE LYS 2 HE3 LYS 2 -2.566 0.348 -4.084 16 1HZ LYS 2 HZ1 LYS 2 -0.751 -0.920 -5.005 17 2HZ LYS 2 HZ2 LYS 2 -1.212 -2.304 -4.195 18 3HZ LYS 2 HZ3 LYS 2 -2.146 -1.652 -5.370 19 H ASP 3 H ASP 3 0.391 3.908 -0.768 20 HA ASP 3 HA ASP 3 -1.176 6.133 -1.886 21 1HB ASP 3 HB2 ASP 3 1.038 6.469 -0.888 22 2HB ASP 3 HB3 ASP 3 1.780 5.387 -2.038 23 H ILE 4 H ILE 4 0.944 3.661 -3.239 24 HA ILE 4 HA ILE 4 -0.829 2.954 -5.444 25 HB ILE 4 HB ILE 4 1.959 3.884 -6.226 26 1HG1 ILE 4 2HG1 ILE 4 -0.632 5.384 -6.772 27 2HG1 ILE 4 3HG1 ILE 4 0.656 5.938 -5.708 28 1HG2 ILE 4 1HG2 ILE 4 -0.445 3.091 -7.947 29 2HG2 ILE 4 2HG2 ILE 4 1.202 3.468 -8.517 30 3HG2 ILE 4 3HG2 ILE 4 0.929 2.032 -7.571 31 1HD1 ILE 4 1HD1 ILE 4 2.202 5.836 -7.731 32 2HD1 ILE 4 2HD1 ILE 4 0.707 5.682 -8.701 33 3HD1 ILE 4 3HD1 ILE 4 0.964 7.101 -7.703 34 H GLN 5 H GLN 5 2.535 2.699 -4.290 35 HA GLN 5 HA GLN 5 2.250 -0.196 -3.752 36 1HB GLN 5 HB2 GLN 5 4.450 1.006 -5.512 37 2HB GLN 5 HB3 GLN 5 4.436 -0.643 -4.882 38 1HG GLN 5 HG2 GLN 5 2.308 -1.074 -6.131 39 2HG GLN 5 HG3 GLN 5 2.521 0.494 -6.933 40 1HE2 GLN 5 1HE2 GLN 5 4.055 -2.401 -8.910 41 2HE2 GLN 5 2HE2 GLN 5 2.512 -2.310 -8.043 42 H VAL 6 H VAL 6 2.331 2.014 -2.026 43 HA VAL 6 HA VAL 6 4.601 1.395 -0.277 44 HB VAL 6 HB VAL 6 4.037 4.313 -0.994 45 1HG1 VAL 6 1HG1 VAL 6 6.143 4.720 0.261 46 2HG1 VAL 6 2HG1 VAL 6 5.004 3.923 1.311 47 3HG1 VAL 6 3HG1 VAL 6 6.322 2.997 0.592 48 1HG2 VAL 6 1HG2 VAL 6 5.103 3.334 -2.950 49 2HG2 VAL 6 2HG2 VAL 6 6.264 4.341 -2.087 50 3HG2 VAL 6 3HG2 VAL 6 6.357 2.565 -1.941 51 H ILE 7 H ILE 7 3.974 1.558 1.873 52 HA ILE 7 HA ILE 7 1.092 1.855 2.352 53 HB ILE 7 HB ILE 7 3.385 1.055 4.227 54 1HG1 ILE 7 2HG1 ILE 7 2.200 -1.170 4.170 55 2HG1 ILE 7 3HG1 ILE 7 1.211 -0.585 2.868 56 1HG2 ILE 7 1HG2 ILE 7 1.466 2.050 5.530 57 2HG2 ILE 7 2HG2 ILE 7 0.353 1.021 4.640 58 3HG2 ILE 7 3HG2 ILE 7 1.562 0.314 5.752 59 1HD1 ILE 7 1HD1 ILE 7 4.233 -0.800 2.691 60 2HD1 ILE 7 2HD1 ILE 7 3.126 -2.067 2.198 61 3HD1 ILE 7 3HD1 ILE 7 3.077 -0.537 1.343 62 H VAL 8 H VAL 8 0.573 3.935 2.072 63 HA VAL 8 HA VAL 8 1.149 5.832 4.252 64 HB VAL 8 HB VAL 8 1.200 6.684 1.324 65 1HG1 VAL 8 1HG1 VAL 8 1.888 8.156 3.922 66 2HG1 VAL 8 2HG1 VAL 8 2.106 8.813 2.291 67 3HG1 VAL 8 3HG1 VAL 8 0.481 8.475 2.891 68 1HG2 VAL 8 1HG2 VAL 8 3.594 7.198 1.566 69 2HG2 VAL 8 2HG2 VAL 8 3.599 6.345 3.155 70 3HG2 VAL 8 3HG2 VAL 8 3.259 5.484 1.617 71 H ASN 9 H ASN 9 -0.724 7.094 4.610 72 HA ASN 9 HA ASN 9 -3.003 6.886 2.717 73 1HB ASN 9 HB2 ASN 9 -4.574 6.501 4.492 74 2HB ASN 9 HB3 ASN 9 -3.326 5.266 4.572 75 1HD2 ASN 9 1HD2 ASN 9 -1.681 5.485 6.358 76 2HD2 ASN 9 2HD2 ASN 9 -2.208 6.316 7.807 77 H VAL 10 H VAL 10 -3.284 8.682 1.919 78 HA VAL 10 HA VAL 10 -2.301 11.184 3.142 79 HB VAL 10 HB VAL 10 -3.127 10.510 0.303 80 1HG1 VAL 10 1HG1 VAL 10 -3.467 12.900 0.617 81 2HG1 VAL 10 2HG1 VAL 10 -1.852 13.033 1.403 82 3HG1 VAL 10 3HG1 VAL 10 -2.024 12.604 -0.326 83 1HG2 VAL 10 1HG2 VAL 10 -0.393 10.905 1.557 84 2HG2 VAL 10 2HG2 VAL 10 -1.063 9.384 0.949 85 3HG2 VAL 10 3HG2 VAL 10 -0.720 10.681 -0.197 86 HA PRO 11 HA PRO 11 -6.700 12.238 4.072 87 1HB PRO 11 HB2 PRO 11 -5.374 14.905 4.520 88 2HB PRO 11 HB3 PRO 11 -6.617 14.077 5.516 89 1HG PRO 11 HG2 PRO 11 -4.031 14.070 6.267 90 2HG PRO 11 HG3 PRO 11 -4.983 12.553 6.369 91 1HD PRO 11 HD2 PRO 11 -3.038 13.389 4.223 92 2HD PRO 11 HD3 PRO 11 -3.189 11.806 5.053 93 HA PRO 12 HA PRO 12 -7.732 13.944 0.224 94 1HB PRO 12 HB2 PRO 12 -10.334 14.793 0.472 95 2HB PRO 12 HB3 PRO 12 -9.849 13.083 0.706 96 1HG PRO 12 HG2 PRO 12 -10.318 15.225 2.801 97 2HG PRO 12 HG3 PRO 12 -10.886 13.509 2.748 98 1HD PRO 12 HD2 PRO 12 -8.627 14.356 4.131 99 2HD PRO 12 HD3 PRO 12 -8.860 12.695 3.530 100 H SER 13 H SER 13 -8.151 15.797 -1.039 101 HA SER 13 HA SER 13 -8.018 18.484 0.262 102 1HB SER 13 HB2 SER 13 -5.700 17.804 -0.267 103 2HB SER 13 HB3 SER 13 -6.149 17.559 -1.955 104 HG SER 13 HG SER 13 -6.087 19.981 -0.476 105 H VAL 14 H VAL 14 -9.960 19.198 -0.338 106 HA VAL 14 HA VAL 14 -10.678 19.126 -3.231 107 HB VAL 14 HB VAL 14 -12.357 18.054 -1.736 108 1HG1 VAL 14 1HG1 VAL 14 -13.022 20.847 -0.720 109 2HG1 VAL 14 2HG1 VAL 14 -13.767 19.291 -0.270 110 3HG1 VAL 14 3HG1 VAL 14 -12.108 19.664 0.236 111 1HG2 VAL 14 1HG2 VAL 14 -13.340 20.574 -3.090 112 2HG2 VAL 14 2HG2 VAL 14 -13.017 19.036 -3.901 113 3HG2 VAL 14 3HG2 VAL 14 -14.309 19.151 -2.683 114 H ARG 15 H ARG 15 -10.991 21.095 -4.269 115 HA ARG 15 HA ARG 15 -11.150 23.577 -2.676 116 1HB ARG 15 HB2 ARG 15 -9.322 24.690 -3.590 117 2HB ARG 15 HB3 ARG 15 -8.720 23.129 -2.968 118 1HG ARG 15 HG2 ARG 15 -9.223 23.938 -5.871 119 2HG ARG 15 HG3 ARG 15 -7.666 23.909 -5.078 120 1HD ARG 15 HD2 ARG 15 -9.400 21.522 -5.760 121 2HD ARG 15 HD3 ARG 15 -7.947 22.030 -6.562 122 HE ARG 15 HE ARG 15 -7.491 21.442 -3.738 123 1HH1 ARG 15 1HH1 ARG 15 -6.614 18.635 -6.459 124 2HH1 ARG 15 2HH1 ARG 15 -7.687 19.943 -6.928 125 1HH2 ARG 15 1HH2 ARG 15 -6.247 19.622 -3.202 126 2HH2 ARG 15 2HH2 ARG 15 -5.853 18.480 -4.454 127 H ALA 16 H ALA 16 -11.774 25.447 -3.739 128 HA ALA 16 HA ALA 16 -13.737 24.905 -5.869 129 1HB ALA 16 HB1 ALA 16 -14.405 26.160 -3.917 130 2HB ALA 16 HB2 ALA 16 -13.138 27.384 -4.187 131 3HB ALA 16 HB3 ALA 16 -14.464 27.188 -5.372 132 H ARG 17 H ARG 17 -12.659 24.563 -7.633 133 HA ARG 17 HA ARG 17 -10.357 25.179 -8.693 134 1HB ARG 17 HB2 ARG 17 -12.051 23.788 -9.761 135 2HB ARG 17 HB3 ARG 17 -12.820 25.238 -10.443 136 1HG ARG 17 HG2 ARG 17 -10.846 25.734 -11.752 137 2HG ARG 17 HG3 ARG 17 -9.933 24.453 -10.982 138 1HD ARG 17 HD2 ARG 17 -12.447 23.969 -12.644 139 2HD ARG 17 HD3 ARG 17 -10.832 24.059 -13.354 140 HE ARG 17 HE ARG 17 -12.001 21.777 -12.035 141 1HH1 ARG 17 1HH1 ARG 17 -10.974 19.940 -11.968 142 2HH1 ARG 17 2HH1 ARG 17 -9.216 19.864 -12.041 143 1HH2 ARG 17 1HH2 ARG 17 -8.839 23.252 -12.525 144 2HH2 ARG 17 2HH2 ARG 17 -8.008 21.721 -12.361 145 H GLN 18 H GLN 18 -12.902 27.672 -9.078 146 HA GLN 18 HA GLN 18 -10.679 29.647 -9.231 147 1HB GLN 18 HB2 GLN 18 -11.507 30.850 -11.121 148 2HB GLN 18 HB3 GLN 18 -11.254 29.165 -11.562 149 1HG GLN 18 HG2 GLN 18 -13.677 28.708 -11.406 150 2HG GLN 18 HG3 GLN 18 -13.995 30.398 -10.971 151 1HE2 GLN 18 1HE2 GLN 18 -12.970 29.498 -14.864 152 2HE2 GLN 18 2HE2 GLN 18 -12.687 28.308 -13.609 153 H SER 19 H SER 19 -13.094 28.844 -7.397 154 HA SER 19 HA SER 19 -14.176 29.774 -5.670 155 1HB SER 19 HB2 SER 19 -11.994 30.959 -5.442 156 2HB SER 19 HB3 SER 19 -12.734 32.349 -6.289 157 HG SER 19 HG SER 19 -12.900 32.559 -4.016 158 H THR 20 H THR 20 -14.381 31.935 -8.472 159 HA THR 20 HA THR 20 -17.342 32.280 -8.004 160 HB THR 20 HB THR 20 -15.402 34.583 -8.616 161 HG1 THR 20 HG1 THR 20 -15.426 33.979 -6.420 162 1HG2 THR 20 1HG2 THR 20 -17.435 35.981 -8.294 163 2HG2 THR 20 2HG2 THR 20 -17.577 34.938 -9.702 164 3HG2 THR 20 3HG2 THR 20 -18.437 34.484 -8.233 165 H MET 21 H MET 21 -18.300 31.523 -9.667 166 HA MET 21 HA MET 21 -17.280 31.824 -12.441 167 1HB MET 21 HB2 MET 21 -19.584 30.291 -11.159 168 2HB MET 21 HB3 MET 21 -19.336 30.352 -12.890 169 1HG MET 21 HG2 MET 21 -17.372 29.231 -10.850 170 2HG MET 21 HG3 MET 21 -18.480 28.290 -11.822 171 1HE MET 21 HE1 MET 21 -18.054 30.094 -14.779 172 2HE MET 21 HE2 MET 21 -17.018 28.855 -15.500 173 3HE MET 21 HE3 MET 21 -18.472 28.378 -14.566 174 H ASN 22 H ASN 22 -18.949 32.514 -14.070 175 HA ASN 22 HA ASN 22 -21.288 33.950 -13.088 176 1HB ASN 22 HB2 ASN 22 -20.790 36.057 -14.159 177 2HB ASN 22 HB3 ASN 22 -19.498 35.666 -13.030 178 1HD2 ASN 22 1HD2 ASN 22 -16.996 35.492 -15.527 179 2HD2 ASN 22 2HD2 ASN 22 -17.381 35.193 -13.851 180 H ALA 23 H ALA 23 -22.815 34.448 -14.868 181 HA ALA 23 HA ALA 23 -22.272 33.316 -17.525 182 1HB ALA 23 HB1 ALA 23 -24.220 31.952 -15.620 183 2HB ALA 23 HB2 ALA 23 -24.084 31.619 -17.384 184 3HB ALA 23 HB3 ALA 23 -22.735 31.249 -16.283 185 H THR 24 H THR 24 -23.741 33.819 -19.079 186 HA THR 24 HA THR 24 -25.609 36.030 -18.473 187 HB THR 24 HB THR 24 -24.935 34.832 -21.159 188 HG1 THR 24 HG1 THR 24 -23.071 35.734 -20.069 189 1HG2 THR 24 1HG2 THR 24 -26.073 37.538 -20.337 190 2HG2 THR 24 2HG2 THR 24 -25.631 37.057 -21.989 191 3HG2 THR 24 3HG2 THR 24 -26.953 36.212 -21.159 192 H ALA 25 H ALA 25 -27.671 35.579 -18.070 193 HA ALA 25 HA ALA 25 -28.739 32.909 -18.530 194 1HB ALA 25 HB1 ALA 25 -28.966 34.461 -16.472 195 2HB ALA 25 HB2 ALA 25 -30.272 35.238 -17.353 196 3HB ALA 25 HB3 ALA 25 -30.340 33.492 -16.987 197 H ASN 26 H ASN 26 -31.195 32.866 -19.107 198 HA ASN 26 HA ASN 26 -32.754 32.756 -20.718 199 1HB ASN 26 HB2 ASN 26 -31.974 35.628 -21.318 200 2HB ASN 26 HB3 ASN 26 -33.482 34.869 -21.757 201 1HD2 ASN 26 1HD2 ASN 26 -34.932 35.184 -18.543 202 2HD2 ASN 26 2HD2 ASN 26 -35.011 34.242 -20.033 203 H LEU 27 H LEU 27 -29.686 32.502 -21.617 204 HA LEU 27 HA LEU 27 -30.167 32.635 -24.555 205 1HB LEU 27 HB2 LEU 27 -27.633 32.240 -22.924 206 2HB LEU 27 HB3 LEU 27 -27.684 32.189 -24.688 207 HG LEU 27 HG LEU 27 -28.291 34.641 -22.941 208 1HD1 LEU 27 1HD1 LEU 27 -25.931 33.961 -23.100 209 2HD1 LEU 27 2HD1 LEU 27 -26.001 33.984 -24.875 210 3HD1 LEU 27 3HD1 LEU 27 -26.218 35.484 -23.934 211 1HD2 LEU 27 1HD2 LEU 27 -28.289 34.316 -25.985 212 2HD2 LEU 27 2HD2 LEU 27 -29.681 34.741 -24.995 213 3HD2 LEU 27 3HD2 LEU 27 -28.319 35.868 -25.125 214 H SER 28 H SER 28 -30.350 30.264 -22.124 215 HA SER 28 HA SER 28 -30.459 28.008 -22.104 216 1HB SER 28 HB2 SER 28 -31.051 28.246 -25.081 217 2HB SER 28 HB3 SER 28 -31.319 26.819 -24.063 218 HG SER 28 HG SER 28 -33.216 28.069 -24.347 219 H GLN 29 H GLN 29 -27.845 29.244 -22.542 220 HA GLN 29 HA GLN 29 -26.282 27.377 -24.207 221 1HB GLN 29 HB2 GLN 29 -24.405 28.703 -23.607 222 2HB GLN 29 HB3 GLN 29 -25.737 29.773 -24.067 223 1HG GLN 29 HG2 GLN 29 -26.171 30.308 -21.705 224 2HG GLN 29 HG3 GLN 29 -24.931 29.197 -21.168 225 1HE2 GLN 29 1HE2 GLN 29 -23.713 32.848 -21.574 226 2HE2 GLN 29 2HE2 GLN 29 -25.246 32.253 -20.926 227 H SER 30 H SER 30 -24.278 26.336 -23.266 228 HA SER 30 HA SER 30 -24.917 24.969 -20.695 229 1HB SER 30 HB2 SER 30 -23.246 24.013 -23.049 230 2HB SER 30 HB3 SER 30 -23.470 23.144 -21.489 231 HG SER 30 HG SER 30 -24.934 22.483 -23.231 232 H VAL 31 H VAL 31 -23.301 24.738 -19.220 233 HA VAL 31 HA VAL 31 -20.849 26.420 -19.526 234 HB VAL 31 HB VAL 31 -22.864 26.802 -17.259 235 1HG1 VAL 31 1HG1 VAL 31 -20.237 28.231 -17.826 236 2HG1 VAL 31 2HG1 VAL 31 -21.456 28.708 -16.621 237 3HG1 VAL 31 3HG1 VAL 31 -20.603 27.177 -16.450 238 1HG2 VAL 31 1HG2 VAL 31 -22.126 28.637 -19.578 239 2HG2 VAL 31 2HG2 VAL 31 -23.709 27.851 -19.296 240 3HG2 VAL 31 3HG2 VAL 31 -23.115 29.106 -18.187 241 H THR 32 H THR 32 -19.053 25.703 -18.349 242 HA THR 32 HA THR 32 -19.414 23.291 -16.603 243 HB THR 32 HB THR 32 -16.842 24.296 -17.878 244 HG1 THR 32 HG1 THR 32 -18.315 23.682 -19.446 245 1HG2 THR 32 1HG2 THR 32 -17.610 21.666 -16.510 246 2HG2 THR 32 2HG2 THR 32 -16.135 21.910 -17.483 247 3HG2 THR 32 3HG2 THR 32 -16.378 22.802 -15.967 248 H LEU 33 H LEU 33 -18.607 23.261 -14.545 249 HA LEU 33 HA LEU 33 -16.726 25.221 -13.534 250 1HB LEU 33 HB2 LEU 33 -18.167 26.014 -11.693 251 2HB LEU 33 HB3 LEU 33 -18.642 26.548 -13.296 252 HG LEU 33 HG LEU 33 -20.491 24.812 -13.301 253 1HD1 LEU 33 1HD1 LEU 33 -19.677 24.548 -10.379 254 2HD1 LEU 33 2HD1 LEU 33 -21.272 24.097 -11.020 255 3HD1 LEU 33 3HD1 LEU 33 -19.860 23.266 -11.621 256 1HD2 LEU 33 1HD2 LEU 33 -21.926 26.197 -11.880 257 2HD2 LEU 33 2HD2 LEU 33 -20.472 26.909 -11.124 258 3HD2 LEU 33 3HD2 LEU 33 -20.829 27.196 -12.841 259 H ALA 34 H ALA 34 -16.209 24.727 -11.086 260 HA ALA 34 HA ALA 34 -16.634 21.886 -10.362 261 1HB ALA 34 HB1 ALA 34 -13.913 22.819 -11.307 262 2HB ALA 34 HB2 ALA 34 -14.410 21.166 -10.896 263 3HB ALA 34 HB3 ALA 34 -15.020 21.962 -12.357 264 H CYS 35 H CYS 35 -15.901 21.266 -8.475 265 HA CYS 35 HA CYS 35 -14.038 22.929 -6.866 266 1HB CYS 35 HB2 CYS 35 -16.303 23.175 -5.982 267 2HB CYS 35 HB3 CYS 35 -16.437 21.419 -5.790 268 H ASP 36 H ASP 36 -12.208 21.657 -7.434 269 HA ASP 36 HA ASP 36 -12.641 18.810 -8.028 270 1HB ASP 36 HB2 ASP 36 -10.542 18.816 -9.056 271 2HB ASP 36 HB3 ASP 36 -11.525 20.137 -9.689 272 H ALA 37 H ALA 37 -11.716 17.080 -7.100 273 HA ALA 37 HA ALA 37 -10.466 17.520 -4.454 274 1HB ALA 37 HB1 ALA 37 -12.874 16.839 -4.380 275 2HB ALA 37 HB2 ALA 37 -12.490 15.377 -5.283 276 3HB ALA 37 HB3 ALA 37 -11.811 15.623 -3.663 277 H ASP 38 H ASP 38 -9.079 15.944 -3.642 278 HA ASP 38 HA ASP 38 -8.194 13.645 -5.321 279 1HB ASP 38 HB2 ASP 38 -6.874 15.648 -6.085 280 2HB ASP 38 HB3 ASP 38 -6.390 15.958 -4.408 281 H GLY 39 H GLY 39 -6.577 12.238 -4.066 282 1HA GLY 39 HA2 GLY 39 -5.689 12.412 -1.509 283 2HA GLY 39 HA3 GLY 39 -7.367 11.811 -1.291 284 H PHE 40 H PHE 40 -5.205 10.187 -0.491 285 HA PHE 40 HA PHE 40 -5.425 7.907 -2.390 286 1HB PHE 40 HB2 PHE 40 -2.813 8.897 -1.250 287 2HB PHE 40 HB3 PHE 40 -3.097 7.410 -2.189 288 HD1 PHE 40 HD1 PHE 40 -2.756 11.078 -2.341 289 HD2 PHE 40 HD2 PHE 40 -3.469 7.466 -4.606 290 HE1 PHE 40 HE1 PHE 40 -2.453 12.343 -4.451 291 HE2 PHE 40 HE2 PHE 40 -3.132 8.738 -6.707 292 HZ PHE 40 HZ PHE 40 -2.647 11.168 -6.645 293 HA PRO 41 HA PRO 41 -5.982 5.721 -2.268 294 1HB PRO 41 HB2 PRO 41 -8.126 4.752 -0.397 295 2HB PRO 41 HB3 PRO 41 -7.314 3.866 -1.725 296 1HG PRO 41 HG2 PRO 41 -6.575 3.408 0.849 297 2HG PRO 41 HG3 PRO 41 -5.288 3.615 -0.382 298 1HD PRO 41 HD2 PRO 41 -6.350 5.693 1.537 299 2HD PRO 41 HD3 PRO 41 -4.655 5.268 1.145 300 H GLU 42 H GLU 42 -7.985 5.898 -3.475 301 HA GLU 42 HA GLU 42 -8.739 8.403 -3.977 302 1HB GLU 42 HB2 GLU 42 -10.619 7.558 -5.273 303 2HB GLU 42 HB3 GLU 42 -9.128 6.620 -5.511 304 1HG GLU 42 HG2 GLU 42 -10.003 4.883 -3.942 305 2HG GLU 42 HG3 GLU 42 -11.509 5.804 -3.788 306 HA PRO 43 HA PRO 43 -11.695 9.680 -0.955 307 1HB PRO 43 HB2 PRO 43 -12.264 12.199 -1.762 308 2HB PRO 43 HB3 PRO 43 -10.577 11.749 -1.340 309 1HG PRO 43 HG2 PRO 43 -11.847 11.795 -4.083 310 2HG PRO 43 HG3 PRO 43 -10.322 12.591 -3.576 311 1HD PRO 43 HD2 PRO 43 -10.336 10.102 -4.765 312 2HD PRO 43 HD3 PRO 43 -9.161 10.535 -3.494 313 H THR 44 H THR 44 -13.782 10.599 -0.718 314 HA THR 44 HA THR 44 -15.836 10.112 -2.849 315 HB THR 44 HB THR 44 -16.093 9.671 0.172 316 HG1 THR 44 HG1 THR 44 -16.283 7.508 -0.361 317 1HG2 THR 44 1HG2 THR 44 -18.123 9.153 -2.083 318 2HG2 THR 44 2HG2 THR 44 -18.320 8.698 -0.357 319 3HG2 THR 44 3HG2 THR 44 -18.242 10.399 -0.820 320 H MET 45 H MET 45 -17.426 11.787 -2.989 321 HA MET 45 HA MET 45 -17.232 14.056 -1.159 322 1HB MET 45 HB2 MET 45 -16.443 15.653 -2.860 323 2HB MET 45 HB3 MET 45 -15.263 14.388 -2.550 324 1HG MET 45 HG2 MET 45 -15.148 14.382 -4.819 325 2HG MET 45 HG3 MET 45 -16.435 13.214 -4.651 326 1HE MET 45 HE1 MET 45 -16.615 17.496 -6.253 327 2HE MET 45 HE2 MET 45 -16.260 17.232 -4.523 328 3HE MET 45 HE3 MET 45 -15.190 16.555 -5.756 329 H THR 46 H THR 46 -18.684 15.754 -1.595 330 HA THR 46 HA THR 46 -20.800 15.537 -3.637 331 HB THR 46 HB THR 46 -22.635 15.715 -1.957 332 HG1 THR 46 HG1 THR 46 -22.230 14.905 0.120 333 1HG2 THR 46 1HG2 THR 46 -22.963 13.404 -1.590 334 2HG2 THR 46 2HG2 THR 46 -22.179 13.613 -3.170 335 3HG2 THR 46 3HG2 THR 46 -21.226 13.037 -1.785 336 H TRP 47 H TRP 47 -22.301 17.434 -3.509 337 HA TRP 47 HA TRP 47 -21.447 19.703 -1.902 338 1HB TRP 47 HB2 TRP 47 -21.062 21.127 -3.976 339 2HB TRP 47 HB3 TRP 47 -19.829 20.076 -3.381 340 HD1 TRP 47 HD1 TRP 47 -19.525 17.655 -4.795 341 HE1 TRP 47 HE1 TRP 47 -18.932 17.597 -7.273 342 HE3 TRP 47 HE3 TRP 47 -21.525 22.138 -6.173 343 HZ2 TRP 47 HZ2 TRP 47 -18.874 19.499 -9.433 344 HZ3 TRP 47 HZ3 TRP 47 -21.107 23.061 -8.447 345 HH2 TRP 47 HH2 TRP 47 -19.775 21.725 -10.082 346 H THR 48 H THR 48 -22.759 21.662 -2.283 347 HA THR 48 HA THR 48 -25.565 20.851 -2.866 348 HB THR 48 HB THR 48 -26.293 22.197 -0.989 349 HG1 THR 48 HG1 THR 48 -24.718 23.118 0.396 350 1HG2 THR 48 1HG2 THR 48 -25.602 19.834 -0.487 351 2HG2 THR 48 2HG2 THR 48 -23.995 20.450 -0.026 352 3HG2 THR 48 3HG2 THR 48 -25.420 20.952 0.889 353 H LYS 49 H LYS 49 -27.112 22.444 -3.402 354 HA LYS 49 HA LYS 49 -26.035 24.813 -4.841 355 1HB LYS 49 HB2 LYS 49 -27.496 23.045 -6.000 356 2HB LYS 49 HB3 LYS 49 -28.828 23.612 -5.042 357 1HG LYS 49 HG2 LYS 49 -28.479 25.921 -5.994 358 2HG LYS 49 HG3 LYS 49 -27.168 25.245 -6.997 359 1HD LYS 49 HD2 LYS 49 -28.795 23.698 -8.043 360 2HD LYS 49 HD3 LYS 49 -30.088 24.451 -7.110 361 1HE LYS 49 HE2 LYS 49 -28.302 25.899 -9.120 362 2HE LYS 49 HE3 LYS 49 -29.894 25.225 -9.503 363 1HZ LYS 49 HZ1 LYS 49 -30.306 27.433 -9.057 364 2HZ LYS 49 HZ2 LYS 49 -30.756 26.734 -7.661 365 3HZ LYS 49 HZ3 LYS 49 -29.308 27.541 -7.790 366 H ASP 50 H ASP 50 -25.627 25.795 -2.742 367 HA ASP 50 HA ASP 50 -26.003 27.290 -1.130 368 1HB ASP 50 HB2 ASP 50 -27.292 28.493 -2.865 369 2HB ASP 50 HB3 ASP 50 -28.776 27.734 -2.288 370 H GLY 51 H GLY 51 -27.831 24.453 -1.207 371 1HA GLY 51 HA2 GLY 51 -27.765 24.112 1.603 372 2HA GLY 51 HA3 GLY 51 -29.361 24.687 1.193 373 H GLU 52 H GLU 52 -29.595 23.272 -1.390 374 HA GLU 52 HA GLU 52 -30.168 20.582 -0.334 375 1HB GLU 52 HB2 GLU 52 -31.549 20.309 -2.283 376 2HB GLU 52 HB3 GLU 52 -31.979 21.764 -1.373 377 1HG GLU 52 HG2 GLU 52 -30.738 23.156 -3.008 378 2HG GLU 52 HG3 GLU 52 -30.367 21.717 -3.980 379 HA PRO 53 HA PRO 53 -26.659 18.885 -2.209 380 1HB PRO 53 HB2 PRO 53 -27.176 16.213 -2.285 381 2HB PRO 53 HB3 PRO 53 -27.061 17.132 -0.760 382 1HG PRO 53 HG2 PRO 53 -29.578 16.412 -2.291 383 2HG PRO 53 HG3 PRO 53 -29.247 16.131 -0.570 384 1HD PRO 53 HD2 PRO 53 -30.613 18.305 -1.410 385 2HD PRO 53 HD3 PRO 53 -29.435 18.438 -0.059 386 H ILE 54 H ILE 54 -25.707 18.662 -4.092 387 HA ILE 54 HA ILE 54 -27.162 18.026 -6.602 388 HB ILE 54 HB ILE 54 -24.350 19.163 -6.333 389 1HG1 ILE 54 2HG1 ILE 54 -26.702 20.976 -6.972 390 2HG1 ILE 54 3HG1 ILE 54 -26.271 20.716 -5.287 391 1HG2 ILE 54 1HG2 ILE 54 -24.751 20.039 -8.638 392 2HG2 ILE 54 2HG2 ILE 54 -24.872 18.292 -8.594 393 3HG2 ILE 54 3HG2 ILE 54 -26.361 19.246 -8.636 394 1HD1 ILE 54 1HD1 ILE 54 -24.038 21.532 -5.611 395 2HD1 ILE 54 2HD1 ILE 54 -24.277 21.722 -7.357 396 3HD1 ILE 54 3HD1 ILE 54 -25.189 22.720 -6.261 397 H GLU 55 H GLU 55 -26.793 15.946 -4.812 398 HA GLU 55 HA GLU 55 -24.349 14.573 -4.911 399 1HB GLU 55 HB2 GLU 55 -25.612 12.662 -4.077 400 2HB GLU 55 HB3 GLU 55 -25.872 14.158 -3.161 401 1HG GLU 55 HG2 GLU 55 -28.066 14.468 -4.271 402 2HG GLU 55 HG3 GLU 55 -27.809 12.959 -5.171 403 H GLN 56 H GLN 56 -23.314 13.574 -6.365 404 HA GLN 56 HA GLN 56 -24.132 13.363 -8.997 405 1HB GLN 56 HB2 GLN 56 -21.838 11.780 -7.829 406 2HB GLN 56 HB3 GLN 56 -22.053 12.352 -9.478 407 1HG GLN 56 HG2 GLN 56 -20.533 13.887 -8.724 408 2HG GLN 56 HG3 GLN 56 -22.020 14.746 -8.396 409 1HE2 GLN 56 1HE2 GLN 56 -19.676 13.430 -5.281 410 2HE2 GLN 56 2HE2 GLN 56 -19.340 12.917 -6.956 411 H GLU 57 H GLU 57 -25.021 11.132 -6.644 412 HA GLU 57 HA GLU 57 -25.253 8.787 -8.469 413 1HB GLU 57 HB2 GLU 57 -25.736 9.062 -5.486 414 2HB GLU 57 HB3 GLU 57 -25.859 7.561 -6.393 415 1HG GLU 57 HG2 GLU 57 -23.446 7.735 -6.993 416 2HG GLU 57 HG3 GLU 57 -23.298 9.193 -6.025 417 H ASP 58 H ASP 58 -27.208 11.423 -7.652 418 HA ASP 58 HA ASP 58 -29.631 9.962 -8.547 419 1HB ASP 58 HB2 ASP 58 -29.496 9.603 -6.050 420 2HB ASP 58 HB3 ASP 58 -29.537 11.353 -5.843 421 H ASN 59 H ASN 59 -27.991 13.028 -7.994 422 HA ASN 59 HA ASN 59 -30.301 14.529 -9.152 423 1HB ASN 59 HB2 ASN 59 -29.436 15.181 -6.868 424 2HB ASN 59 HB3 ASN 59 -27.930 15.673 -7.656 425 1HD2 ASN 59 1HD2 ASN 59 -30.173 18.667 -7.394 426 2HD2 ASN 59 2HD2 ASN 59 -29.481 17.559 -6.220 427 H GLU 60 H GLU 60 -30.076 14.419 -11.303 428 HA GLU 60 HA GLU 60 -27.558 15.262 -12.644 429 1HB GLU 60 HB2 GLU 60 -27.980 12.711 -12.017 430 2HB GLU 60 HB3 GLU 60 -29.129 12.771 -13.357 431 1HG GLU 60 HG2 GLU 60 -27.276 13.477 -14.842 432 2HG GLU 60 HG3 GLU 60 -26.173 13.488 -13.471 433 H GLU 61 H GLU 61 -30.579 16.125 -12.414 434 HA GLU 61 HA GLU 61 -31.969 15.644 -14.770 435 1HB GLU 61 HB2 GLU 61 -33.397 17.481 -14.235 436 2HB GLU 61 HB3 GLU 61 -33.014 16.549 -12.791 437 1HG GLU 61 HG2 GLU 61 -31.399 18.222 -12.034 438 2HG GLU 61 HG3 GLU 61 -31.641 19.174 -13.524 439 H LYS 62 H LYS 62 -29.455 18.082 -14.547 440 HA LYS 62 HA LYS 62 -29.287 18.061 -17.434 441 1HB LYS 62 HB2 LYS 62 -29.580 20.400 -17.942 442 2HB LYS 62 HB3 LYS 62 -31.055 19.756 -17.218 443 1HG LYS 62 HG2 LYS 62 -30.185 20.802 -14.990 444 2HG LYS 62 HG3 LYS 62 -29.022 21.686 -16.011 445 1HD LYS 62 HD2 LYS 62 -31.103 22.404 -17.395 446 2HD LYS 62 HD3 LYS 62 -32.052 21.805 -16.048 447 1HE LYS 62 HE2 LYS 62 -31.867 23.999 -15.406 448 2HE LYS 62 HE3 LYS 62 -30.435 23.325 -14.601 449 1HZ LYS 62 HZ1 LYS 62 -29.710 25.270 -15.749 450 2HZ LYS 62 HZ2 LYS 62 -29.193 24.031 -16.688 451 3HZ LYS 62 HZ3 LYS 62 -30.511 24.884 -17.119 452 H TYR 63 H TYR 63 -27.512 17.058 -15.725 453 HA TYR 63 HA TYR 63 -25.191 18.550 -16.418 454 1HB TYR 63 HB2 TYR 63 -24.500 18.570 -13.802 455 2HB TYR 63 HB3 TYR 63 -25.089 19.939 -14.693 456 HD1 TYR 63 HD1 TYR 63 -27.165 21.004 -14.094 457 HD2 TYR 63 HD2 TYR 63 -26.029 17.260 -12.269 458 HE1 TYR 63 HE1 TYR 63 -29.007 21.260 -12.448 459 HE2 TYR 63 HE2 TYR 63 -27.876 17.532 -10.614 460 HH TYR 63 HH TYR 63 -29.680 18.771 -9.972 461 H SER 64 H SER 64 -23.196 17.557 -16.087 462 HA SER 64 HA SER 64 -22.917 14.940 -14.866 463 1HB SER 64 HB2 SER 64 -22.288 13.810 -17.014 464 2HB SER 64 HB3 SER 64 -23.997 14.169 -16.864 465 HG SER 64 HG SER 64 -23.048 14.647 -18.928 466 H PHE 65 H PHE 65 -20.710 14.223 -14.833 467 HA PHE 65 HA PHE 65 -18.579 16.109 -15.602 468 1HB PHE 65 HB2 PHE 65 -17.987 16.263 -13.360 469 2HB PHE 65 HB3 PHE 65 -19.717 16.388 -13.326 470 HD1 PHE 65 HD1 PHE 65 -20.967 13.937 -12.979 471 HD2 PHE 65 HD2 PHE 65 -16.985 14.972 -11.691 472 HE1 PHE 65 HE1 PHE 65 -20.922 11.954 -11.436 473 HE2 PHE 65 HE2 PHE 65 -17.018 13.090 -10.081 474 HZ PHE 65 HZ PHE 65 -18.986 11.566 -9.986 475 H ASN 66 H ASN 66 -16.427 15.229 -14.825 476 HA ASN 66 HA ASN 66 -16.037 12.352 -15.574 477 1HB ASN 66 HB2 ASN 66 -13.669 13.082 -16.070 478 2HB ASN 66 HB3 ASN 66 -14.913 13.781 -17.100 479 1HD2 ASN 66 1HD2 ASN 66 -13.123 16.374 -14.430 480 2HD2 ASN 66 2HD2 ASN 66 -13.538 14.762 -13.868 481 H TYR 67 H TYR 67 -14.433 11.099 -14.466 482 HA TYR 67 HA TYR 67 -14.212 11.480 -11.579 483 1HB TYR 67 HB2 TYR 67 -14.436 9.259 -12.590 484 2HB TYR 67 HB3 TYR 67 -12.957 9.515 -13.531 485 HD1 TYR 67 HD1 TYR 67 -14.179 9.500 -9.924 486 HD2 TYR 67 HD2 TYR 67 -10.975 8.673 -12.679 487 HE1 TYR 67 HE1 TYR 67 -12.829 8.599 -8.075 488 HE2 TYR 67 HE2 TYR 67 -9.597 7.763 -10.782 489 HH TYR 67 HH TYR 67 -9.502 7.359 -8.501 490 H ASP 68 H ASP 68 -11.968 11.252 -10.548 491 HA ASP 68 HA ASP 68 -10.046 12.302 -9.885 492 1HB ASP 68 HB2 ASP 68 -9.263 10.860 -11.796 493 2HB ASP 68 HB3 ASP 68 -9.325 12.275 -12.833 494 H GLY 69 H GLY 69 -12.323 13.929 -10.458 495 1HA GLY 69 HA2 GLY 69 -11.462 16.577 -10.037 496 2HA GLY 69 HA3 GLY 69 -11.835 16.393 -11.763 497 H SER 70 H SER 70 -13.481 18.045 -11.076 498 HA SER 70 HA SER 70 -16.044 16.835 -10.096 499 1HB SER 70 HB2 SER 70 -14.831 19.393 -9.107 500 2HB SER 70 HB3 SER 70 -16.383 18.655 -8.600 501 HG SER 70 HG SER 70 -14.544 18.246 -7.216 502 H GLU 71 H GLU 71 -14.969 17.770 -12.773 503 HA GLU 71 HA GLU 71 -16.051 20.404 -13.282 504 1HB GLU 71 HB2 GLU 71 -14.885 18.322 -15.147 505 2HB GLU 71 HB3 GLU 71 -15.373 19.950 -15.650 506 1HG GLU 71 HG2 GLU 71 -13.005 19.961 -15.346 507 2HG GLU 71 HG3 GLU 71 -13.739 20.931 -14.067 508 H LEU 72 H LEU 72 -18.118 20.321 -12.685 509 HA LEU 72 HA LEU 72 -20.041 18.510 -13.954 510 1HB LEU 72 HB2 LEU 72 -20.056 19.175 -11.509 511 2HB LEU 72 HB3 LEU 72 -20.457 20.810 -12.002 512 HG LEU 72 HG LEU 72 -22.567 19.863 -13.095 513 1HD1 LEU 72 1HD1 LEU 72 -21.931 17.511 -13.349 514 2HD1 LEU 72 2HD1 LEU 72 -21.631 17.369 -11.613 515 3HD1 LEU 72 3HD1 LEU 72 -23.276 17.586 -12.215 516 1HD2 LEU 72 1HD2 LEU 72 -22.234 19.379 -10.096 517 2HD2 LEU 72 2HD2 LEU 72 -22.668 20.920 -10.862 518 3HD2 LEU 72 3HD2 LEU 72 -23.776 19.550 -10.959 519 H ILE 73 H ILE 73 -20.584 18.889 -15.932 520 HA ILE 73 HA ILE 73 -20.681 21.605 -17.091 521 HB ILE 73 HB ILE 73 -21.147 18.922 -18.402 522 1HG1 ILE 73 2HG1 ILE 73 -18.596 20.457 -18.795 523 2HG1 ILE 73 3HG1 ILE 73 -18.720 19.478 -17.340 524 1HG2 ILE 73 1HG2 ILE 73 -20.560 21.747 -19.433 525 2HG2 ILE 73 2HG2 ILE 73 -20.721 20.287 -20.483 526 3HG2 ILE 73 3HG2 ILE 73 -22.113 20.940 -19.566 527 1HD1 ILE 73 1HD1 ILE 73 -17.678 18.223 -19.111 528 2HD1 ILE 73 2HD1 ILE 73 -19.205 17.489 -18.627 529 3HD1 ILE 73 3HD1 ILE 73 -19.123 18.413 -20.153 530 H ILE 74 H ILE 74 -22.477 22.659 -16.946 531 HA ILE 74 HA ILE 74 -25.097 21.345 -16.318 532 HB ILE 74 HB ILE 74 -23.995 24.142 -15.850 533 1HG1 ILE 74 2HG1 ILE 74 -25.091 22.163 -13.817 534 2HG1 ILE 74 3HG1 ILE 74 -23.400 22.124 -14.325 535 1HG2 ILE 74 1HG2 ILE 74 -26.830 23.088 -15.396 536 2HG2 ILE 74 2HG2 ILE 74 -26.223 24.601 -14.707 537 3HG2 ILE 74 3HG2 ILE 74 -26.347 24.426 -16.459 538 1HD1 ILE 74 1HD1 ILE 74 -24.762 24.494 -12.972 539 2HD1 ILE 74 2HD1 ILE 74 -23.600 23.387 -12.248 540 3HD1 ILE 74 3HD1 ILE 74 -23.054 24.442 -13.552 541 H LYS 75 H LYS 75 -26.682 21.324 -17.842 542 HA LYS 75 HA LYS 75 -26.088 22.804 -20.372 543 1HB LYS 75 HB2 LYS 75 -28.540 21.112 -20.202 544 2HB LYS 75 HB3 LYS 75 -27.381 21.286 -21.499 545 1HG LYS 75 HG2 LYS 75 -27.208 19.499 -19.051 546 2HG LYS 75 HG3 LYS 75 -27.442 19.013 -20.718 547 1HD LYS 75 HD2 LYS 75 -25.156 19.609 -21.283 548 2HD LYS 75 HD3 LYS 75 -24.870 20.214 -19.627 549 1HE LYS 75 HE2 LYS 75 -25.717 17.903 -18.838 550 2HE LYS 75 HE3 LYS 75 -25.417 17.353 -20.493 551 1HZ LYS 75 HZ1 LYS 75 -23.415 18.551 -18.663 552 2HZ LYS 75 HZ2 LYS 75 -23.505 16.978 -19.059 553 3HZ LYS 75 HZ3 LYS 75 -23.087 18.075 -20.202 554 H LYS 76 H LYS 76 -27.804 23.865 -21.436 555 HA LYS 76 HA LYS 76 -28.967 25.843 -21.473 556 1HB LYS 76 HB2 LYS 76 -31.390 25.415 -21.331 557 2HB LYS 76 HB3 LYS 76 -30.472 24.282 -22.330 558 1HG LYS 76 HG2 LYS 76 -30.527 22.592 -20.515 559 2HG LYS 76 HG3 LYS 76 -31.470 23.696 -19.507 560 1HD LYS 76 HD2 LYS 76 -32.361 22.663 -22.236 561 2HD LYS 76 HD3 LYS 76 -32.819 21.934 -20.686 562 1HE LYS 76 HE2 LYS 76 -33.916 24.037 -19.999 563 2HE LYS 76 HE3 LYS 76 -33.455 24.791 -21.536 564 1HZ LYS 76 HZ1 LYS 76 -35.234 22.439 -21.245 565 2HZ LYS 76 HZ2 LYS 76 -35.730 23.955 -21.613 566 3HZ LYS 76 HZ3 LYS 76 -34.810 23.097 -22.657 567 H VAL 77 H VAL 77 -27.803 26.943 -19.859 568 HA VAL 77 HA VAL 77 -28.964 27.618 -17.292 569 HB VAL 77 HB VAL 77 -26.878 28.923 -19.072 570 1HG1 VAL 77 1HG1 VAL 77 -27.655 29.757 -16.248 571 2HG1 VAL 77 2HG1 VAL 77 -26.236 30.315 -17.168 572 3HG1 VAL 77 3HG1 VAL 77 -27.853 30.726 -17.706 573 1HG2 VAL 77 1HG2 VAL 77 -26.699 27.408 -16.437 574 2HG2 VAL 77 2HG2 VAL 77 -26.229 26.774 -18.028 575 3HG2 VAL 77 3HG2 VAL 77 -25.332 28.104 -17.300 576 H ASP 78 H ASP 78 -30.454 29.130 -16.772 577 HA ASP 78 HA ASP 78 -31.697 30.698 -19.003 578 1HB ASP 78 HB2 ASP 78 -32.766 28.444 -18.751 579 2HB ASP 78 HB3 ASP 78 -33.150 28.846 -17.087 580 H LYS 79 H LYS 79 -31.381 30.393 -15.546 581 HA LYS 79 HA LYS 79 -31.138 32.960 -14.743 582 1HB LYS 79 HB2 LYS 79 -34.018 32.577 -15.429 583 2HB LYS 79 HB3 LYS 79 -33.757 33.124 -13.791 584 1HG LYS 79 HG2 LYS 79 -32.398 35.008 -14.525 585 2HG LYS 79 HG3 LYS 79 -32.489 34.467 -16.190 586 1HD LYS 79 HD2 LYS 79 -34.021 36.278 -15.945 587 2HD LYS 79 HD3 LYS 79 -34.954 34.787 -16.186 588 1HE LYS 79 HE2 LYS 79 -35.377 34.626 -13.751 589 2HE LYS 79 HE3 LYS 79 -34.358 36.069 -13.479 590 1HZ LYS 79 HZ1 LYS 79 -36.883 36.079 -15.051 591 2HZ LYS 79 HZ2 LYS 79 -36.757 36.548 -13.494 592 3HZ LYS 79 HZ3 LYS 79 -35.970 37.387 -14.664 593 H SER 80 H SER 80 -32.747 29.923 -14.064 594 HA SER 80 HA SER 80 -32.801 30.273 -11.185 595 1HB SER 80 HB2 SER 80 -33.649 27.911 -11.272 596 2HB SER 80 HB3 SER 80 -34.571 29.091 -12.194 597 HG SER 80 HG SER 80 -34.189 27.168 -13.398 598 H ASP 81 H ASP 81 -30.291 29.520 -13.200 599 HA ASP 81 HA ASP 81 -29.036 27.345 -11.875 600 1HB ASP 81 HB2 ASP 81 -27.775 29.330 -13.784 601 2HB ASP 81 HB3 ASP 81 -27.317 27.652 -13.507 602 H GLU 82 H GLU 82 -29.112 30.569 -10.864 603 HA GLU 82 HA GLU 82 -26.549 31.108 -9.834 604 1HB GLU 82 HB2 GLU 82 -28.458 32.674 -10.001 605 2HB GLU 82 HB3 GLU 82 -29.252 31.852 -8.638 606 1HG GLU 82 HG2 GLU 82 -27.277 32.422 -7.216 607 2HG GLU 82 HG3 GLU 82 -26.606 33.355 -8.559 608 H ALA 83 H ALA 83 -25.454 30.540 -7.936 609 HA ALA 83 HA ALA 83 -26.673 28.805 -5.903 610 1HB ALA 83 HB1 ALA 83 -24.623 27.734 -7.907 611 2HB ALA 83 HB2 ALA 83 -25.205 26.835 -6.485 612 3HB ALA 83 HB3 ALA 83 -26.309 27.225 -7.817 613 H GLU 84 H GLU 84 -25.327 28.174 -4.249 614 HA GLU 84 HA GLU 84 -22.609 29.381 -4.034 615 1HB GLU 84 HB2 GLU 84 -24.208 30.586 -2.566 616 2HB GLU 84 HB3 GLU 84 -24.600 29.073 -1.740 617 1HG GLU 84 HG2 GLU 84 -22.263 28.845 -0.998 618 2HG GLU 84 HG3 GLU 84 -21.792 30.260 -1.960 619 H TYR 85 H TYR 85 -21.514 27.651 -4.644 620 HA TYR 85 HA TYR 85 -22.408 24.916 -4.173 621 1HB TYR 85 HB2 TYR 85 -20.183 26.142 -5.779 622 2HB TYR 85 HB3 TYR 85 -20.486 24.411 -5.682 623 HD1 TYR 85 HD1 TYR 85 -20.926 27.158 -7.758 624 HD2 TYR 85 HD2 TYR 85 -23.103 23.804 -6.148 625 HE1 TYR 85 HE1 TYR 85 -22.404 27.131 -9.756 626 HE2 TYR 85 HE2 TYR 85 -24.547 23.761 -8.196 627 HH TYR 85 HH TYR 85 -24.159 26.093 -10.851 628 H ILE 86 H ILE 86 -22.110 25.070 -1.829 629 HA ILE 86 HA ILE 86 -19.365 24.936 -0.788 630 HB ILE 86 HB ILE 86 -21.916 23.981 0.576 631 1HG1 ILE 86 2HG1 ILE 86 -20.631 26.759 0.562 632 2HG1 ILE 86 3HG1 ILE 86 -22.222 26.317 -0.025 633 1HG2 ILE 86 1HG2 ILE 86 -19.777 23.100 1.527 634 2HG2 ILE 86 2HG2 ILE 86 -19.197 24.760 1.708 635 3HG2 ILE 86 3HG2 ILE 86 -20.577 24.181 2.645 636 1HD1 ILE 86 1HD1 ILE 86 -22.877 25.669 2.290 637 2HD1 ILE 86 2HD1 ILE 86 -21.334 26.329 2.868 638 3HD1 ILE 86 3HD1 ILE 86 -22.532 27.384 2.074 639 H CYS 87 H CYS 87 -18.104 23.203 -0.712 640 HA CYS 87 HA CYS 87 -19.106 20.554 -1.587 641 1HB CYS 87 HB2 CYS 87 -16.872 20.504 -2.896 642 2HB CYS 87 HB3 CYS 87 -18.212 21.404 -3.584 643 H ILE 88 H ILE 88 -18.327 18.796 -0.767 644 HA ILE 88 HA ILE 88 -16.290 19.028 1.435 645 HB ILE 88 HB ILE 88 -18.953 17.508 1.468 646 1HG1 ILE 88 2HG1 ILE 88 -18.168 20.045 2.986 647 2HG1 ILE 88 3HG1 ILE 88 -19.285 19.987 1.650 648 1HG2 ILE 88 1HG2 ILE 88 -16.850 17.896 3.660 649 2HG2 ILE 88 2HG2 ILE 88 -18.399 17.077 3.864 650 3HG2 ILE 88 3HG2 ILE 88 -17.185 16.384 2.797 651 1HD1 ILE 88 1HD1 ILE 88 -20.746 18.434 3.009 652 2HD1 ILE 88 2HD1 ILE 88 -19.757 18.836 4.423 653 3HD1 ILE 88 3HD1 ILE 88 -20.623 20.113 3.586 654 H ALA 89 H ALA 89 -14.835 17.377 1.502 655 HA ALA 89 HA ALA 89 -15.425 14.899 -0.002 656 1HB ALA 89 HB1 ALA 89 -12.790 16.423 -0.015 657 2HB ALA 89 HB2 ALA 89 -13.112 14.858 -0.816 658 3HB ALA 89 HB3 ALA 89 -13.939 16.315 -1.386 659 H GLU 90 H GLU 90 -14.462 13.060 0.788 660 HA GLU 90 HA GLU 90 -13.030 13.061 3.394 661 1HB GLU 90 HB2 GLU 90 -15.501 13.019 3.820 662 2HB GLU 90 HB3 GLU 90 -15.636 11.606 2.801 663 1HG GLU 90 HG2 GLU 90 -14.101 10.360 4.344 664 2HG GLU 90 HG3 GLU 90 -14.002 11.815 5.362 665 H ASN 91 H ASN 91 -11.774 11.194 3.703 666 HA ASN 91 HA ASN 91 -12.194 8.896 1.963 667 1HB ASN 91 HB2 ASN 91 -10.233 8.738 0.853 668 2HB ASN 91 HB3 ASN 91 -10.555 10.488 0.739 669 1HD2 ASN 91 1HD2 ASN 91 -7.982 9.249 0.321 670 2HD2 ASN 91 2HD2 ASN 91 -6.950 9.998 1.550 671 H LYS 92 H LYS 92 -9.873 7.531 2.586 672 HA LYS 92 HA LYS 92 -10.727 6.458 5.145 673 1HB LYS 92 HB2 LYS 92 -8.344 5.177 4.149 674 2HB LYS 92 HB3 LYS 92 -9.956 4.552 4.246 675 1HG LYS 92 HG2 LYS 92 -8.849 6.132 1.858 676 2HG LYS 92 HG3 LYS 92 -8.943 4.365 2.019 677 1HD LYS 92 HD2 LYS 92 -11.464 4.595 2.247 678 2HD LYS 92 HD3 LYS 92 -11.285 6.286 1.739 679 1HE LYS 92 HE2 LYS 92 -10.121 5.548 -0.325 680 2HE LYS 92 HE3 LYS 92 -10.421 3.856 0.145 681 1HZ LYS 92 HZ1 LYS 92 -12.839 4.429 0.142 682 2HZ LYS 92 HZ2 LYS 92 -12.469 5.900 -0.482 683 3HZ LYS 92 HZ3 LYS 92 -12.137 4.581 -1.357 684 H ALA 93 H ALA 93 -8.455 8.800 4.323 685 HA ALA 93 HA ALA 93 -6.875 8.516 6.847 686 1HB ALA 93 HB1 ALA 93 -5.648 8.503 4.767 687 2HB ALA 93 HB2 ALA 93 -6.383 10.032 4.260 688 3HB ALA 93 HB3 ALA 93 -5.297 9.988 5.663 689 H GLY 94 H GLY 94 -9.252 10.719 5.282 690 1HA GLY 94 HA2 GLY 94 -9.524 12.335 7.660 691 2HA GLY 94 HA3 GLY 94 -8.481 13.102 6.510 692 H GLU 95 H GLU 95 -10.035 14.846 6.477 693 HA GLU 95 HA GLU 95 -12.292 14.604 4.598 694 1HB GLU 95 HB2 GLU 95 -13.240 13.923 6.799 695 2HB GLU 95 HB3 GLU 95 -12.635 15.422 7.514 696 1HG GLU 95 HG2 GLU 95 -14.184 16.708 5.947 697 2HG GLU 95 HG3 GLU 95 -14.727 15.171 5.293 698 H GLN 96 H GLN 96 -12.852 16.649 3.695 699 HA GLN 96 HA GLN 96 -11.514 19.135 4.609 700 1HB GLN 96 HB2 GLN 96 -10.107 17.530 2.928 701 2HB GLN 96 HB3 GLN 96 -11.109 18.314 1.755 702 1HG GLN 96 HG2 GLN 96 -9.142 19.589 1.865 703 2HG GLN 96 HG3 GLN 96 -10.300 20.567 2.764 704 1HE2 GLN 96 1HE2 GLN 96 -7.263 18.677 4.870 705 2HE2 GLN 96 2HE2 GLN 96 -7.803 17.999 3.322 706 H ASP 97 H ASP 97 -12.229 21.055 3.222 707 HA ASP 97 HA ASP 97 -14.583 20.657 1.532 708 1HB ASP 97 HB2 ASP 97 -16.101 21.994 2.787 709 2HB ASP 97 HB3 ASP 97 -15.524 20.716 3.851 710 H ALA 98 H ALA 98 -15.308 22.574 0.382 711 HA ALA 98 HA ALA 98 -13.924 25.152 0.704 712 1HB ALA 98 HB1 ALA 98 -12.422 23.904 -0.838 713 2HB ALA 98 HB2 ALA 98 -13.781 23.598 -1.931 714 3HB ALA 98 HB3 ALA 98 -13.193 25.269 -1.665 715 H THR 99 H THR 99 -14.911 26.662 -1.296 716 HA THR 99 HA THR 99 -17.777 26.024 -1.814 717 HB THR 99 HB THR 99 -16.779 28.512 -0.378 718 HG1 THR 99 HG1 THR 99 -17.974 27.760 1.319 719 1HG2 THR 99 1HG2 THR 99 -18.596 29.206 -1.829 720 2HG2 THR 99 2HG2 THR 99 -19.567 27.772 -1.385 721 3HG2 THR 99 3HG2 THR 99 -19.212 29.069 -0.181 722 H ILE 100 H ILE 100 -18.245 26.593 -3.875 723 HA ILE 100 HA ILE 100 -16.735 28.779 -5.258 724 HB ILE 100 HB ILE 100 -18.682 27.373 -6.907 725 1HG1 ILE 100 2HG1 ILE 100 -16.304 25.630 -6.310 726 2HG1 ILE 100 3HG1 ILE 100 -17.888 25.365 -5.566 727 1HG2 ILE 100 1HG2 ILE 100 -16.961 27.497 -8.592 728 2HG2 ILE 100 2HG2 ILE 100 -17.043 29.012 -7.731 729 3HG2 ILE 100 3HG2 ILE 100 -15.729 27.904 -7.341 730 1HD1 ILE 100 1HD1 ILE 100 -17.770 23.947 -7.479 731 2HD1 ILE 100 2HD1 ILE 100 -18.909 25.215 -7.861 732 3HD1 ILE 100 3HD1 ILE 100 -17.277 25.281 -8.551 733 H HIS 101 H HIS 101 -17.993 30.416 -6.359 734 HA HIS 101 HA HIS 101 -20.907 30.606 -5.633 735 1HB HIS 101 HB2 HIS 101 -18.884 32.825 -6.193 736 2HB HIS 101 HB3 HIS 101 -20.610 33.064 -5.926 737 HD1 HIS 101 HD1 HIS 101 -21.474 32.862 -3.360 738 HD2 HIS 101 HD2 HIS 101 -17.369 32.247 -4.029 739 HE1 HIS 101 HE1 HIS 101 -20.404 32.883 -1.084 740 H LEU 102 H LEU 102 -22.309 31.422 -7.348 741 HA LEU 102 HA LEU 102 -21.103 31.750 -10.029 742 1HB LEU 102 HB2 LEU 102 -21.848 29.321 -9.601 743 2HB LEU 102 HB3 LEU 102 -23.493 29.903 -9.532 744 HG LEU 102 HG LEU 102 -21.675 29.327 -11.752 745 1HD1 LEU 102 1HD1 LEU 102 -23.789 28.143 -11.291 746 2HD1 LEU 102 2HD1 LEU 102 -24.689 29.633 -11.684 747 3HD1 LEU 102 3HD1 LEU 102 -23.738 28.789 -12.933 748 1HD2 LEU 102 1HD2 LEU 102 -21.692 31.748 -12.212 749 2HD2 LEU 102 2HD2 LEU 102 -22.542 30.826 -13.442 750 3HD2 LEU 102 3HD2 LEU 102 -23.458 31.731 -12.237 751 H LYS 103 H LYS 103 -21.609 33.842 -10.252 752 HA LYS 103 HA LYS 103 -24.333 34.886 -9.670 753 1HB LYS 103 HB2 LYS 103 -23.451 37.104 -10.242 754 2HB LYS 103 HB3 LYS 103 -22.685 36.304 -8.884 755 1HG LYS 103 HG2 LYS 103 -20.727 35.695 -10.291 756 2HG LYS 103 HG3 LYS 103 -21.497 36.507 -11.690 757 1HD LYS 103 HD2 LYS 103 -21.459 38.632 -10.491 758 2HD LYS 103 HD3 LYS 103 -20.761 37.851 -9.073 759 1HE LYS 103 HE2 LYS 103 -18.755 37.194 -10.431 760 2HE LYS 103 HE3 LYS 103 -19.469 37.922 -11.857 761 1HZ LYS 103 HZ1 LYS 103 -17.867 39.421 -10.772 762 2HZ LYS 103 HZ2 LYS 103 -19.332 40.091 -10.749 763 3HZ LYS 103 HZ3 LYS 103 -18.720 39.395 -9.399 764 H VAL 104 H VAL 104 -25.859 34.465 -10.988 765 HA VAL 104 HA VAL 104 -25.426 34.353 -13.947 766 HB VAL 104 HB VAL 104 -27.700 33.337 -12.211 767 1HG1 VAL 104 1HG1 VAL 104 -27.135 33.053 -15.199 768 2HG1 VAL 104 2HG1 VAL 104 -28.386 32.126 -14.309 769 3HG1 VAL 104 3HG1 VAL 104 -28.527 33.880 -14.450 770 1HG2 VAL 104 1HG2 VAL 104 -26.823 31.113 -12.848 771 2HG2 VAL 104 2HG2 VAL 104 -25.420 31.893 -13.601 772 3HG2 VAL 104 3HG2 VAL 104 -25.681 32.022 -11.854 773 H PHE 105 H PHE 105 -25.888 36.188 -15.079 774 HA PHE 105 HA PHE 105 -27.820 38.127 -13.936 775 1HB PHE 105 HB2 PHE 105 -26.487 39.742 -15.234 776 2HB PHE 105 HB3 PHE 105 -25.612 38.973 -13.933 777 HD1 PHE 105 HD1 PHE 105 -25.918 39.407 -17.551 778 HD2 PHE 105 HD2 PHE 105 -23.704 37.428 -14.415 779 HE1 PHE 105 HE1 PHE 105 -24.053 38.966 -19.141 780 HE2 PHE 105 HE2 PHE 105 -21.845 36.982 -16.034 781 HZ PHE 105 HZ PHE 105 -22.026 37.750 -18.368 782 H ALA 106 H ALA 106 -29.429 38.966 -15.125 783 HA ALA 106 HA ALA 106 -30.217 37.471 -17.524 784 1HB ALA 106 HB1 ALA 106 -32.452 38.266 -16.996 785 2HB ALA 106 HB2 ALA 106 -31.692 37.602 -15.528 786 3HB ALA 106 HB3 ALA 106 -31.815 39.364 -15.779 787 H LYS 107 H LYS 107 -28.189 39.076 -18.223 788 HA LYS 107 HA LYS 107 -27.475 40.560 -19.826 789 1HB LYS 107 HB2 LYS 107 -30.318 40.241 -20.900 790 2HB LYS 107 HB3 LYS 107 -28.959 40.941 -21.792 791 1HG LYS 107 HG2 LYS 107 -27.722 38.822 -21.637 792 2HG LYS 107 HG3 LYS 107 -29.048 38.067 -20.752 793 1HD LYS 107 HD2 LYS 107 -29.206 39.169 -23.611 794 2HD LYS 107 HD3 LYS 107 -29.008 37.482 -23.164 795 1HE LYS 107 HE2 LYS 107 -31.169 37.536 -21.920 796 2HE LYS 107 HE3 LYS 107 -31.410 39.212 -22.426 797 1HZ LYS 107 HZ1 LYS 107 -31.374 38.474 -24.730 798 2HZ LYS 107 HZ2 LYS 107 -31.136 36.921 -24.301 799 3HZ LYS 107 HZ3 LYS 107 -32.550 37.670 -23.940 Start of MODEL 2 1 1H GLY 1 H1 GLY 1 -7.235 5.424 10.032 2 2H GLY 1 H2 GLY 1 -6.257 6.757 10.036 3 3H GLY 1 H3 GLY 1 -7.660 6.736 9.163 4 1HA GLY 1 HA2 GLY 1 -6.802 5.034 7.706 5 2HA GLY 1 HA3 GLY 1 -5.798 6.493 7.663 6 H LYS 2 H LYS 2 -4.962 4.000 6.855 7 HA LYS 2 HA LYS 2 -2.421 3.774 8.260 8 1HB LYS 2 HB2 LYS 2 -3.886 2.334 9.640 9 2HB LYS 2 HB3 LYS 2 -4.333 1.420 8.175 10 1HG LYS 2 HG2 LYS 2 -1.964 0.639 8.007 11 2HG LYS 2 HG3 LYS 2 -1.529 1.651 9.392 12 1HD LYS 2 HD2 LYS 2 -3.059 0.345 10.821 13 2HD LYS 2 HD3 LYS 2 -3.520 -0.676 9.431 14 1HE LYS 2 HE2 LYS 2 -1.084 -1.305 9.168 15 2HE LYS 2 HE3 LYS 2 -0.708 -0.374 10.619 16 1HZ LYS 2 HZ1 LYS 2 -2.521 -2.731 10.581 17 2HZ LYS 2 HZ2 LYS 2 -0.983 -2.724 11.136 18 3HZ LYS 2 HZ3 LYS 2 -2.116 -1.874 11.899 19 H ASP 3 H ASP 3 -0.816 2.838 6.961 20 HA ASP 3 HA ASP 3 -1.441 2.440 4.091 21 1HB ASP 3 HB2 ASP 3 0.974 2.281 3.820 22 2HB ASP 3 HB3 ASP 3 0.537 3.738 4.708 23 H ILE 4 H ILE 4 -1.915 0.485 3.270 24 HA ILE 4 HA ILE 4 -1.710 -1.940 4.987 25 HB ILE 4 HB ILE 4 -3.300 -1.439 2.471 26 1HG1 ILE 4 2HG1 ILE 4 -4.091 0.122 4.124 27 2HG1 ILE 4 3HG1 ILE 4 -5.250 -1.196 3.950 28 1HG2 ILE 4 1HG2 ILE 4 -3.091 -3.823 2.782 29 2HG2 ILE 4 2HG2 ILE 4 -3.389 -3.697 4.514 30 3HG2 ILE 4 3HG2 ILE 4 -4.685 -3.375 3.358 31 1HD1 ILE 4 1HD1 ILE 4 -5.048 -0.563 6.260 32 2HD1 ILE 4 2HD1 ILE 4 -4.397 -2.213 6.078 33 3HD1 ILE 4 3HD1 ILE 4 -3.304 -0.832 6.297 34 H GLN 5 H GLN 5 -0.060 -0.570 2.315 35 HA GLN 5 HA GLN 5 1.610 -2.905 1.746 36 1HB GLN 5 HB2 GLN 5 -0.720 -3.042 0.431 37 2HB GLN 5 HB3 GLN 5 0.089 -1.851 -0.630 38 1HG GLN 5 HG2 GLN 5 1.949 -3.533 -0.944 39 2HG GLN 5 HG3 GLN 5 1.133 -4.639 0.152 40 1HE2 GLN 5 1HE2 GLN 5 -0.945 -5.888 -2.470 41 2HE2 GLN 5 2HE2 GLN 5 -0.442 -6.052 -0.776 42 H VAL 6 H VAL 6 2.545 -1.880 -0.711 43 HA VAL 6 HA VAL 6 4.019 0.544 -0.043 44 HB VAL 6 HB VAL 6 3.987 -0.857 -2.730 45 1HG1 VAL 6 1HG1 VAL 6 6.262 0.099 -2.861 46 2HG1 VAL 6 2HG1 VAL 6 5.080 1.402 -2.637 47 3HG1 VAL 6 3HG1 VAL 6 6.079 0.841 -1.272 48 1HG2 VAL 6 1HG2 VAL 6 5.986 -2.089 -1.924 49 2HG2 VAL 6 2HG2 VAL 6 5.677 -1.484 -0.277 50 3HG2 VAL 6 3HG2 VAL 6 4.526 -2.584 -1.100 51 H ILE 7 H ILE 7 1.621 1.280 0.342 52 HA ILE 7 HA ILE 7 0.621 3.091 -1.787 53 HB ILE 7 HB ILE 7 -0.985 0.888 -0.416 54 1HG1 ILE 7 2HG1 ILE 7 -0.451 1.337 -3.396 55 2HG1 ILE 7 3HG1 ILE 7 0.207 0.030 -2.393 56 1HG2 ILE 7 1HG2 ILE 7 -2.979 1.795 -1.478 57 2HG2 ILE 7 2HG2 ILE 7 -2.281 3.040 -0.541 58 3HG2 ILE 7 3HG2 ILE 7 -2.041 3.064 -2.294 59 1HD1 ILE 7 1HD1 ILE 7 -2.686 0.365 -3.242 60 2HD1 ILE 7 2HD1 ILE 7 -1.543 -0.872 -3.745 61 3HD1 ILE 7 3HD1 ILE 7 -2.107 -0.835 -2.055 62 H VAL 8 H VAL 8 0.711 4.938 -0.689 63 HA VAL 8 HA VAL 8 0.576 5.022 2.273 64 HB VAL 8 HB VAL 8 1.133 7.183 0.149 65 1HG1 VAL 8 1HG1 VAL 8 1.534 7.296 3.194 66 2HG1 VAL 8 2HG1 VAL 8 2.087 8.515 1.990 67 3HG1 VAL 8 3HG1 VAL 8 0.365 8.232 2.259 68 1HG2 VAL 8 1HG2 VAL 8 2.907 5.475 0.159 69 2HG2 VAL 8 2HG2 VAL 8 3.507 6.924 0.958 70 3HG2 VAL 8 3HG2 VAL 8 2.985 5.551 1.934 71 H ASN 9 H ASN 9 -0.983 6.108 3.463 72 HA ASN 9 HA ASN 9 -3.523 6.570 2.098 73 1HB ASN 9 HB2 ASN 9 -4.677 6.170 4.065 74 2HB ASN 9 HB3 ASN 9 -3.430 4.939 4.035 75 1HD2 ASN 9 1HD2 ASN 9 -1.655 6.328 6.854 76 2HD2 ASN 9 2HD2 ASN 9 -1.409 5.400 5.389 77 H VAL 10 H VAL 10 -3.634 8.413 1.226 78 HA VAL 10 HA VAL 10 -2.527 10.892 2.446 79 HB VAL 10 HB VAL 10 -3.496 10.322 -0.381 80 1HG1 VAL 10 1HG1 VAL 10 -3.684 12.693 0.084 81 2HG1 VAL 10 2HG1 VAL 10 -2.051 12.708 0.811 82 3HG1 VAL 10 3HG1 VAL 10 -2.286 12.402 -0.947 83 1HG2 VAL 10 1HG2 VAL 10 -1.466 9.038 0.048 84 2HG2 VAL 10 2HG2 VAL 10 -1.059 10.418 -0.951 85 3HG2 VAL 10 3HG2 VAL 10 -0.682 10.448 0.783 86 HA PRO 11 HA PRO 11 -6.820 12.002 3.547 87 1HB PRO 11 HB2 PRO 11 -5.532 14.725 3.703 88 2HB PRO 11 HB3 PRO 11 -6.695 13.958 4.837 89 1HG PRO 11 HG2 PRO 11 -4.057 14.018 5.417 90 2HG PRO 11 HG3 PRO 11 -4.966 12.510 5.684 91 1HD PRO 11 HD2 PRO 11 -3.168 13.182 3.337 92 2HD PRO 11 HD3 PRO 11 -3.294 11.667 4.292 93 HA PRO 12 HA PRO 12 -8.398 13.830 -0.193 94 1HB PRO 12 HB2 PRO 12 -10.493 15.354 1.282 95 2HB PRO 12 HB3 PRO 12 -10.673 14.084 0.052 96 1HG PRO 12 HG2 PRO 12 -11.184 13.567 2.672 97 2HG PRO 12 HG3 PRO 12 -10.426 12.348 1.613 98 1HD PRO 12 HD2 PRO 12 -9.027 14.294 3.512 99 2HD PRO 12 HD3 PRO 12 -8.827 12.514 3.389 100 H SER 13 H SER 13 -8.285 15.639 -1.408 101 HA SER 13 HA SER 13 -7.300 18.191 -0.248 102 1HB SER 13 HB2 SER 13 -5.503 16.548 -1.027 103 2HB SER 13 HB3 SER 13 -6.187 16.680 -2.644 104 HG SER 13 HG SER 13 -4.434 18.114 -2.323 105 H VAL 14 H VAL 14 -9.673 18.550 -0.538 106 HA VAL 14 HA VAL 14 -10.468 19.034 -3.318 107 HB VAL 14 HB VAL 14 -11.993 17.894 -1.721 108 1HG1 VAL 14 1HG1 VAL 14 -11.733 19.608 0.186 109 2HG1 VAL 14 2HG1 VAL 14 -12.822 20.642 -0.743 110 3HG1 VAL 14 3HG1 VAL 14 -13.367 19.042 -0.189 111 1HG2 VAL 14 1HG2 VAL 14 -14.004 18.873 -2.640 112 2HG2 VAL 14 2HG2 VAL 14 -13.106 20.336 -3.098 113 3HG2 VAL 14 3HG2 VAL 14 -12.742 18.789 -3.867 114 H ARG 15 H ARG 15 -10.736 20.988 -4.269 115 HA ARG 15 HA ARG 15 -10.375 23.531 -2.715 116 1HB ARG 15 HB2 ARG 15 -8.802 22.557 -5.176 117 2HB ARG 15 HB3 ARG 15 -8.880 24.231 -4.646 118 1HG ARG 15 HG2 ARG 15 -7.047 23.716 -3.475 119 2HG ARG 15 HG3 ARG 15 -8.234 23.188 -2.291 120 1HD ARG 15 HD2 ARG 15 -7.946 20.843 -3.110 121 2HD ARG 15 HD3 ARG 15 -6.781 21.409 -4.293 122 HE ARG 15 HE ARG 15 -5.176 21.386 -2.677 123 1HH1 ARG 15 1HH1 ARG 15 -8.199 21.485 -0.852 124 2HH1 ARG 15 2HH1 ARG 15 -7.366 21.296 0.661 125 1HH2 ARG 15 1HH2 ARG 15 -4.229 21.097 -0.717 126 2HH2 ARG 15 2HH2 ARG 15 -5.214 21.058 0.732 127 H ALA 16 H ALA 16 -10.798 25.404 -4.059 128 HA ALA 16 HA ALA 16 -13.203 25.123 -5.788 129 1HB ALA 16 HB1 ALA 16 -11.745 27.547 -4.673 130 2HB ALA 16 HB2 ALA 16 -13.227 27.567 -5.639 131 3HB ALA 16 HB3 ALA 16 -13.241 26.808 -4.054 132 H ARG 17 H ARG 17 -13.052 25.089 -7.900 133 HA ARG 17 HA ARG 17 -10.523 25.476 -9.318 134 1HB ARG 17 HB2 ARG 17 -12.181 23.690 -9.805 135 2HB ARG 17 HB3 ARG 17 -13.333 24.899 -10.361 136 1HG ARG 17 HG2 ARG 17 -12.419 23.881 -12.302 137 2HG ARG 17 HG3 ARG 17 -11.663 25.475 -12.226 138 1HD ARG 17 HD2 ARG 17 -9.865 24.124 -12.744 139 2HD ARG 17 HD3 ARG 17 -9.706 24.265 -10.991 140 HE ARG 17 HE ARG 17 -11.231 21.877 -11.865 141 1HH1 ARG 17 1HH1 ARG 17 -7.982 23.068 -11.202 142 2HH1 ARG 17 2HH1 ARG 17 -7.387 21.444 -10.971 143 1HH2 ARG 17 1HH2 ARG 17 -10.400 19.954 -11.666 144 2HH2 ARG 17 2HH2 ARG 17 -8.692 19.670 -11.335 145 H GLN 18 H GLN 18 -13.085 27.530 -8.509 146 HA GLN 18 HA GLN 18 -11.854 29.870 -9.549 147 1HB GLN 18 HB2 GLN 18 -13.479 28.739 -11.443 148 2HB GLN 18 HB3 GLN 18 -14.650 29.725 -10.591 149 1HG GLN 18 HG2 GLN 18 -12.032 30.990 -11.497 150 2HG GLN 18 HG3 GLN 18 -13.281 30.616 -12.681 151 1HE2 GLN 18 1HE2 GLN 18 -15.349 33.304 -11.776 152 2HE2 GLN 18 2HE2 GLN 18 -15.164 31.849 -12.753 153 H SER 19 H SER 19 -12.986 31.848 -8.657 154 HA SER 19 HA SER 19 -14.197 31.170 -6.014 155 1HB SER 19 HB2 SER 19 -13.010 33.778 -7.058 156 2HB SER 19 HB3 SER 19 -13.585 33.480 -5.422 157 HG SER 19 HG SER 19 -11.337 33.197 -5.564 158 H THR 20 H THR 20 -14.934 33.058 -8.931 159 HA THR 20 HA THR 20 -17.788 33.230 -8.095 160 HB THR 20 HB THR 20 -16.246 35.729 -8.876 161 HG1 THR 20 HG1 THR 20 -15.794 35.101 -6.750 162 1HG2 THR 20 1HG2 THR 20 -18.353 36.886 -8.219 163 2HG2 THR 20 2HG2 THR 20 -18.618 35.815 -9.592 164 3HG2 THR 20 3HG2 THR 20 -19.130 35.302 -7.976 165 H MET 21 H MET 21 -18.330 31.893 -9.713 166 HA MET 21 HA MET 21 -17.728 32.448 -12.565 167 1HB MET 21 HB2 MET 21 -19.608 30.494 -11.160 168 2HB MET 21 HB3 MET 21 -19.427 30.616 -12.912 169 1HG MET 21 HG2 MET 21 -17.165 29.933 -10.987 170 2HG MET 21 HG3 MET 21 -18.103 28.769 -11.905 171 1HE MET 21 HE1 MET 21 -16.899 29.424 -15.594 172 2HE MET 21 HE2 MET 21 -17.991 28.511 -14.546 173 3HE MET 21 HE3 MET 21 -18.331 30.213 -14.896 174 H ASN 22 H ASN 22 -19.461 32.887 -14.127 175 HA ASN 22 HA ASN 22 -21.984 33.942 -13.239 176 1HB ASN 22 HB2 ASN 22 -21.711 36.221 -13.917 177 2HB ASN 22 HB3 ASN 22 -20.470 35.865 -12.713 178 1HD2 ASN 22 1HD2 ASN 22 -17.756 36.351 -14.983 179 2HD2 ASN 22 2HD2 ASN 22 -18.221 35.713 -13.415 180 H ALA 23 H ALA 23 -23.440 34.504 -15.061 181 HA ALA 23 HA ALA 23 -22.605 33.935 -17.779 182 1HB ALA 23 HB1 ALA 23 -24.190 31.815 -16.245 183 2HB ALA 23 HB2 ALA 23 -23.907 31.855 -18.009 184 3HB ALA 23 HB3 ALA 23 -22.540 31.667 -16.890 185 H THR 24 H THR 24 -24.288 34.129 -19.312 186 HA THR 24 HA THR 24 -26.653 35.674 -18.452 187 HB THR 24 HB THR 24 -25.898 34.918 -21.284 188 HG1 THR 24 HG1 THR 24 -24.869 36.877 -21.391 189 1HG2 THR 24 1HG2 THR 24 -27.143 37.015 -21.813 190 2HG2 THR 24 2HG2 THR 24 -28.181 35.835 -21.005 191 3HG2 THR 24 3HG2 THR 24 -27.549 37.181 -20.068 192 H ALA 25 H ALA 25 -28.574 34.739 -18.108 193 HA ALA 25 HA ALA 25 -29.136 31.940 -18.618 194 1HB ALA 25 HB1 ALA 25 -31.408 32.591 -17.752 195 2HB ALA 25 HB2 ALA 25 -30.090 33.130 -16.701 196 3HB ALA 25 HB3 ALA 25 -30.917 34.284 -17.758 197 H ASN 26 H ASN 26 -30.753 31.076 -19.898 198 HA ASN 26 HA ASN 26 -32.213 30.718 -21.537 199 1HB ASN 26 HB2 ASN 26 -32.475 33.733 -21.881 200 2HB ASN 26 HB3 ASN 26 -33.583 32.513 -22.485 201 1HD2 ASN 26 1HD2 ASN 26 -34.167 33.793 -18.760 202 2HD2 ASN 26 2HD2 ASN 26 -33.014 34.559 -19.854 203 H LEU 27 H LEU 27 -29.207 31.503 -22.215 204 HA LEU 27 HA LEU 27 -29.490 31.883 -25.148 205 1HB LEU 27 HB2 LEU 27 -26.952 31.684 -23.472 206 2HB LEU 27 HB3 LEU 27 -27.075 32.142 -25.151 207 HG LEU 27 HG LEU 27 -28.049 33.767 -22.770 208 1HD1 LEU 27 1HD1 LEU 27 -26.382 35.363 -23.600 209 2HD1 LEU 27 2HD1 LEU 27 -25.612 33.780 -23.299 210 3HD1 LEU 27 3HD1 LEU 27 -25.986 34.295 -24.956 211 1HD2 LEU 27 1HD2 LEU 27 -28.389 34.347 -25.745 212 2HD2 LEU 27 2HD2 LEU 27 -29.689 34.151 -24.556 213 3HD2 LEU 27 3HD2 LEU 27 -28.587 35.530 -24.446 214 H SER 28 H SER 28 -29.598 29.215 -23.241 215 HA SER 28 HA SER 28 -29.458 26.984 -23.605 216 1HB SER 28 HB2 SER 28 -29.594 27.741 -26.543 217 2HB SER 28 HB3 SER 28 -29.935 26.155 -25.863 218 HG SER 28 HG SER 28 -31.829 27.472 -26.174 219 H GLN 29 H GLN 29 -26.928 28.357 -23.341 220 HA GLN 29 HA GLN 29 -24.989 26.890 -24.964 221 1HB GLN 29 HB2 GLN 29 -23.399 28.368 -24.207 222 2HB GLN 29 HB3 GLN 29 -24.811 29.376 -24.417 223 1HG GLN 29 HG2 GLN 29 -23.948 28.318 -21.687 224 2HG GLN 29 HG3 GLN 29 -23.362 29.793 -22.404 225 1HE2 GLN 29 1HE2 GLN 29 -25.961 31.542 -20.804 226 2HE2 GLN 29 2HE2 GLN 29 -24.237 31.399 -21.095 227 H SER 30 H SER 30 -22.891 26.281 -23.488 228 HA SER 30 HA SER 30 -23.767 24.806 -21.093 229 1HB SER 30 HB2 SER 30 -22.122 23.044 -21.571 230 2HB SER 30 HB3 SER 30 -23.453 23.079 -22.719 231 HG SER 30 HG SER 30 -22.114 24.029 -24.240 232 H VAL 31 H VAL 31 -22.445 24.763 -19.401 233 HA VAL 31 HA VAL 31 -20.021 26.534 -19.403 234 HB VAL 31 HB VAL 31 -22.400 26.783 -17.514 235 1HG1 VAL 31 1HG1 VAL 31 -19.712 28.220 -17.465 236 2HG1 VAL 31 2HG1 VAL 31 -21.130 28.722 -16.547 237 3HG1 VAL 31 3HG1 VAL 31 -20.367 27.153 -16.199 238 1HG2 VAL 31 1HG2 VAL 31 -21.215 28.707 -19.562 239 2HG2 VAL 31 2HG2 VAL 31 -22.822 27.947 -19.629 240 3HG2 VAL 31 3HG2 VAL 31 -22.454 29.127 -18.369 241 H THR 32 H THR 32 -18.385 25.851 -18.017 242 HA THR 32 HA THR 32 -18.956 23.492 -16.214 243 HB THR 32 HB THR 32 -16.310 24.193 -17.550 244 HG1 THR 32 HG1 THR 32 -16.814 22.625 -19.009 245 1HG2 THR 32 1HG2 THR 32 -15.747 21.819 -17.001 246 2HG2 THR 32 2HG2 THR 32 -15.918 22.815 -15.570 247 3HG2 THR 32 3HG2 THR 32 -17.217 21.694 -16.026 248 H LEU 33 H LEU 33 -18.133 23.448 -14.202 249 HA LEU 33 HA LEU 33 -16.184 25.300 -13.124 250 1HB LEU 33 HB2 LEU 33 -17.592 26.361 -11.463 251 2HB LEU 33 HB3 LEU 33 -18.146 26.717 -13.088 252 HG LEU 33 HG LEU 33 -19.820 24.609 -12.588 253 1HD1 LEU 33 1HD1 LEU 33 -19.287 25.793 -9.824 254 2HD1 LEU 33 2HD1 LEU 33 -20.569 24.628 -10.263 255 3HD1 LEU 33 3HD1 LEU 33 -18.889 24.143 -10.332 256 1HD2 LEU 33 1HD2 LEU 33 -20.481 26.903 -13.162 257 2HD2 LEU 33 2HD2 LEU 33 -21.500 26.223 -11.861 258 3HD2 LEU 33 3HD2 LEU 33 -20.232 27.410 -11.492 259 H ALA 34 H ALA 34 -15.815 24.723 -10.686 260 HA ALA 34 HA ALA 34 -16.609 21.980 -10.014 261 1HB ALA 34 HB1 ALA 34 -13.687 22.394 -10.562 262 2HB ALA 34 HB2 ALA 34 -14.618 20.896 -10.482 263 3HB ALA 34 HB3 ALA 34 -14.770 21.968 -11.878 264 H CYS 35 H CYS 35 -16.046 21.234 -8.131 265 HA CYS 35 HA CYS 35 -14.467 22.885 -6.182 266 1HB CYS 35 HB2 CYS 35 -17.066 22.528 -5.946 267 2HB CYS 35 HB3 CYS 35 -16.609 20.968 -5.298 268 H ASP 36 H ASP 36 -12.679 21.777 -7.312 269 HA ASP 36 HA ASP 36 -12.669 19.026 -8.030 270 1HB ASP 36 HB2 ASP 36 -10.573 19.369 -8.935 271 2HB ASP 36 HB3 ASP 36 -11.625 20.669 -9.379 272 H ALA 37 H ALA 37 -12.478 17.359 -6.841 273 HA ALA 37 HA ALA 37 -10.776 17.391 -4.411 274 1HB ALA 37 HB1 ALA 37 -13.109 16.589 -4.259 275 2HB ALA 37 HB2 ALA 37 -12.735 15.319 -5.449 276 3HB ALA 37 HB3 ALA 37 -11.959 15.304 -3.841 277 H ASP 38 H ASP 38 -9.366 15.710 -3.886 278 HA ASP 38 HA ASP 38 -8.474 13.684 -5.794 279 1HB ASP 38 HB2 ASP 38 -7.223 15.732 -6.525 280 2HB ASP 38 HB3 ASP 38 -6.638 15.934 -4.873 281 H GLY 39 H GLY 39 -6.820 12.226 -4.641 282 1HA GLY 39 HA2 GLY 39 -5.957 12.288 -2.011 283 2HA GLY 39 HA3 GLY 39 -7.595 11.659 -1.898 284 H PHE 40 H PHE 40 -5.646 9.921 -1.085 285 HA PHE 40 HA PHE 40 -5.711 7.822 -3.137 286 1HB PHE 40 HB2 PHE 40 -3.706 9.190 -3.587 287 2HB PHE 40 HB3 PHE 40 -3.096 8.758 -2.005 288 HD1 PHE 40 HD1 PHE 40 -4.615 7.069 -5.042 289 HD2 PHE 40 HD2 PHE 40 -1.494 7.020 -2.062 290 HE1 PHE 40 HE1 PHE 40 -3.669 5.054 -6.078 291 HE2 PHE 40 HE2 PHE 40 -0.511 5.000 -3.143 292 HZ PHE 40 HZ PHE 40 -1.586 4.016 -5.138 293 HA PRO 41 HA PRO 41 -6.528 5.700 -3.038 294 1HB PRO 41 HB2 PRO 41 -8.728 4.963 -1.099 295 2HB PRO 41 HB3 PRO 41 -8.045 4.021 -2.468 296 1HG PRO 41 HG2 PRO 41 -7.322 3.448 0.062 297 2HG PRO 41 HG3 PRO 41 -6.087 3.450 -1.227 298 1HD PRO 41 HD2 PRO 41 -6.672 5.633 0.793 299 2HD PRO 41 HD3 PRO 41 -5.084 5.014 0.250 300 H GLU 42 H GLU 42 -8.224 6.423 -4.309 301 HA GLU 42 HA GLU 42 -8.887 9.038 -4.405 302 1HB GLU 42 HB2 GLU 42 -10.497 6.667 -5.422 303 2HB GLU 42 HB3 GLU 42 -10.759 8.335 -5.949 304 1HG GLU 42 HG2 GLU 42 -8.403 8.436 -6.787 305 2HG GLU 42 HG3 GLU 42 -8.165 6.759 -6.288 306 HA PRO 43 HA PRO 43 -11.752 9.615 -1.180 307 1HB PRO 43 HB2 PRO 43 -12.417 12.247 -1.435 308 2HB PRO 43 HB3 PRO 43 -10.720 11.729 -1.112 309 1HG PRO 43 HG2 PRO 43 -12.039 12.297 -3.764 310 2HG PRO 43 HG3 PRO 43 -10.555 13.052 -3.134 311 1HD PRO 43 HD2 PRO 43 -10.407 10.924 -4.808 312 2HD PRO 43 HD3 PRO 43 -9.314 11.036 -3.368 313 H THR 44 H THR 44 -13.866 10.228 -0.569 314 HA THR 44 HA THR 44 -16.017 9.881 -2.684 315 HB THR 44 HB THR 44 -16.131 9.487 0.342 316 HG1 THR 44 HG1 THR 44 -15.051 7.863 -0.767 317 1HG2 THR 44 1HG2 THR 44 -18.219 9.041 -1.832 318 2HG2 THR 44 2HG2 THR 44 -18.390 8.483 -0.148 319 3HG2 THR 44 3HG2 THR 44 -18.307 10.217 -0.484 320 H MET 45 H MET 45 -17.462 11.620 -2.930 321 HA MET 45 HA MET 45 -17.366 13.841 -1.005 322 1HB MET 45 HB2 MET 45 -16.590 15.473 -2.656 323 2HB MET 45 HB3 MET 45 -15.412 14.183 -2.443 324 1HG MET 45 HG2 MET 45 -15.387 14.314 -4.737 325 2HG MET 45 HG3 MET 45 -16.665 13.117 -4.533 326 1HE MET 45 HE1 MET 45 -15.408 16.398 -5.655 327 2HE MET 45 HE2 MET 45 -16.798 17.413 -6.082 328 3HE MET 45 HE3 MET 45 -16.384 17.135 -4.355 329 H THR 46 H THR 46 -18.887 15.517 -1.347 330 HA THR 46 HA THR 46 -20.962 15.316 -3.433 331 HB THR 46 HB THR 46 -22.810 15.541 -1.704 332 HG1 THR 46 HG1 THR 46 -21.499 15.858 0.179 333 1HG2 THR 46 1HG2 THR 46 -22.377 13.454 -3.003 334 2HG2 THR 46 2HG2 THR 46 -21.482 12.832 -1.601 335 3HG2 THR 46 3HG2 THR 46 -23.201 13.197 -1.440 336 H TRP 47 H TRP 47 -22.400 17.243 -3.320 337 HA TRP 47 HA TRP 47 -21.561 19.474 -1.674 338 1HB TRP 47 HB2 TRP 47 -20.846 20.937 -3.566 339 2HB TRP 47 HB3 TRP 47 -19.790 19.609 -3.126 340 HD1 TRP 47 HD1 TRP 47 -19.862 17.385 -4.783 341 HE1 TRP 47 HE1 TRP 47 -19.173 17.552 -7.231 342 HE3 TRP 47 HE3 TRP 47 -21.104 22.285 -5.624 343 HZ2 TRP 47 HZ2 TRP 47 -18.966 19.619 -9.232 344 HZ3 TRP 47 HZ3 TRP 47 -20.602 23.348 -7.815 345 HH2 TRP 47 HH2 TRP 47 -19.531 22.017 -9.619 346 H THR 48 H THR 48 -22.655 21.448 -1.969 347 HA THR 48 HA THR 48 -25.476 21.060 -2.923 348 HB THR 48 HB THR 48 -26.245 21.994 -0.867 349 HG1 THR 48 HG1 THR 48 -24.712 22.737 0.701 350 1HG2 THR 48 1HG2 THR 48 -25.442 20.546 0.890 351 2HG2 THR 48 2HG2 THR 48 -25.346 19.604 -0.614 352 3HG2 THR 48 3HG2 THR 48 -23.880 20.307 0.060 353 H LYS 49 H LYS 49 -26.712 23.061 -3.153 354 HA LYS 49 HA LYS 49 -25.145 25.563 -3.708 355 1HB LYS 49 HB2 LYS 49 -26.875 26.246 -5.255 356 2HB LYS 49 HB3 LYS 49 -25.982 24.835 -5.790 357 1HG LYS 49 HG2 LYS 49 -27.995 23.460 -4.931 358 2HG LYS 49 HG3 LYS 49 -28.849 24.984 -4.803 359 1HD LYS 49 HD2 LYS 49 -27.791 23.636 -7.290 360 2HD LYS 49 HD3 LYS 49 -29.464 23.997 -6.881 361 1HE LYS 49 HE2 LYS 49 -27.308 26.038 -7.552 362 2HE LYS 49 HE3 LYS 49 -28.580 25.505 -8.642 363 1HZ LYS 49 HZ1 LYS 49 -30.218 26.567 -7.303 364 2HZ LYS 49 HZ2 LYS 49 -29.153 26.891 -6.085 365 3HZ LYS 49 HZ3 LYS 49 -29.013 27.658 -7.505 366 H ASP 50 H ASP 50 -25.255 26.626 -1.878 367 HA ASP 50 HA ASP 50 -26.007 27.871 -0.172 368 1HB ASP 50 HB2 ASP 50 -28.768 27.682 -1.433 369 2HB ASP 50 HB3 ASP 50 -28.309 28.714 -0.098 370 H GLY 51 H GLY 51 -27.870 24.923 -0.657 371 1HA GLY 51 HA2 GLY 51 -27.503 23.918 1.980 372 2HA GLY 51 HA3 GLY 51 -29.099 24.652 1.885 373 H GLU 52 H GLU 52 -29.266 23.771 -1.137 374 HA GLU 52 HA GLU 52 -30.237 21.037 -0.524 375 1HB GLU 52 HB2 GLU 52 -31.540 21.167 -2.510 376 2HB GLU 52 HB3 GLU 52 -31.824 22.550 -1.462 377 1HG GLU 52 HG2 GLU 52 -30.390 23.983 -2.933 378 2HG GLU 52 HG3 GLU 52 -30.091 22.611 -3.994 379 HA PRO 53 HA PRO 53 -26.706 19.301 -2.502 380 1HB PRO 53 HB2 PRO 53 -27.329 16.688 -2.654 381 2HB PRO 53 HB3 PRO 53 -27.244 17.556 -1.089 382 1HG PRO 53 HG2 PRO 53 -29.741 16.964 -2.732 383 2HG PRO 53 HG3 PRO 53 -29.467 16.651 -0.988 384 1HD PRO 53 HD2 PRO 53 -30.738 18.896 -1.932 385 2HD PRO 53 HD3 PRO 53 -29.714 18.913 -0.458 386 H ILE 54 H ILE 54 -25.710 18.780 -4.328 387 HA ILE 54 HA ILE 54 -27.282 18.715 -6.817 388 HB ILE 54 HB ILE 54 -24.338 19.451 -6.470 389 1HG1 ILE 54 2HG1 ILE 54 -26.523 21.513 -6.917 390 2HG1 ILE 54 3HG1 ILE 54 -26.131 21.021 -5.290 391 1HG2 ILE 54 1HG2 ILE 54 -24.756 18.961 -8.819 392 2HG2 ILE 54 2HG2 ILE 54 -26.296 19.845 -8.790 393 3HG2 ILE 54 3HG2 ILE 54 -24.766 20.712 -8.690 394 1HD1 ILE 54 1HD1 ILE 54 -24.882 23.026 -5.949 395 2HD1 ILE 54 2HD1 ILE 54 -23.806 21.687 -5.500 396 3HD1 ILE 54 3HD1 ILE 54 -24.031 22.131 -7.185 397 H GLU 55 H GLU 55 -26.448 16.568 -4.980 398 HA GLU 55 HA GLU 55 -24.665 14.647 -5.485 399 1HB GLU 55 HB2 GLU 55 -26.478 12.948 -5.045 400 2HB GLU 55 HB3 GLU 55 -26.157 14.198 -3.825 401 1HG GLU 55 HG2 GLU 55 -28.199 15.434 -4.637 402 2HG GLU 55 HG3 GLU 55 -28.475 14.105 -5.786 403 H GLN 56 H GLN 56 -23.826 14.631 -7.567 404 HA GLN 56 HA GLN 56 -25.229 14.304 -9.910 405 1HB GLN 56 HB2 GLN 56 -22.315 13.589 -9.313 406 2HB GLN 56 HB3 GLN 56 -23.025 13.877 -10.896 407 1HG GLN 56 HG2 GLN 56 -22.057 15.924 -10.436 408 2HG GLN 56 HG3 GLN 56 -23.756 16.166 -9.971 409 1HE2 GLN 56 1HE2 GLN 56 -21.781 17.824 -7.370 410 2HE2 GLN 56 2HE2 GLN 56 -22.373 18.114 -8.996 411 H GLU 57 H GLU 57 -25.113 11.862 -7.702 412 HA GLU 57 HA GLU 57 -25.060 9.624 -9.659 413 1HB GLU 57 HB2 GLU 57 -25.392 9.674 -6.628 414 2HB GLU 57 HB3 GLU 57 -25.301 8.212 -7.616 415 1HG GLU 57 HG2 GLU 57 -23.043 8.941 -8.414 416 2HG GLU 57 HG3 GLU 57 -23.105 10.267 -7.241 417 H ASP 58 H ASP 58 -27.341 11.810 -8.572 418 HA ASP 58 HA ASP 58 -29.546 10.219 -9.690 419 1HB ASP 58 HB2 ASP 58 -29.401 9.433 -7.286 420 2HB ASP 58 HB3 ASP 58 -29.683 11.077 -6.760 421 H ASN 59 H ASN 59 -28.394 13.250 -8.280 422 HA ASN 59 HA ASN 59 -30.654 14.718 -9.611 423 1HB ASN 59 HB2 ASN 59 -30.088 15.326 -7.239 424 2HB ASN 59 HB3 ASN 59 -28.463 15.795 -7.792 425 1HD2 ASN 59 1HD2 ASN 59 -30.158 18.969 -7.864 426 2HD2 ASN 59 2HD2 ASN 59 -29.409 17.912 -6.678 427 H GLU 60 H GLU 60 -30.328 14.757 -11.687 428 HA GLU 60 HA GLU 60 -27.701 15.663 -12.856 429 1HB GLU 60 HB2 GLU 60 -29.572 13.470 -13.788 430 2HB GLU 60 HB3 GLU 60 -28.128 14.031 -14.665 431 1HG GLU 60 HG2 GLU 60 -26.698 13.357 -12.763 432 2HG GLU 60 HG3 GLU 60 -28.118 12.688 -11.928 433 H GLU 61 H GLU 61 -30.618 16.812 -12.437 434 HA GLU 61 HA GLU 61 -32.322 17.224 -14.345 435 1HB GLU 61 HB2 GLU 61 -30.942 19.459 -12.848 436 2HB GLU 61 HB3 GLU 61 -32.357 19.744 -13.811 437 1HG GLU 61 HG2 GLU 61 -32.347 17.733 -11.514 438 2HG GLU 61 HG3 GLU 61 -32.843 19.411 -11.349 439 H LYS 62 H LYS 62 -29.350 19.140 -14.693 440 HA LYS 62 HA LYS 62 -29.300 18.662 -17.548 441 1HB LYS 62 HB2 LYS 62 -29.292 21.017 -18.318 442 2HB LYS 62 HB3 LYS 62 -30.826 20.500 -17.642 443 1HG LYS 62 HG2 LYS 62 -30.130 21.707 -15.446 444 2HG LYS 62 HG3 LYS 62 -28.780 22.377 -16.359 445 1HD LYS 62 HD2 LYS 62 -30.663 23.125 -18.077 446 2HD LYS 62 HD3 LYS 62 -31.781 22.784 -16.767 447 1HE LYS 62 HE2 LYS 62 -29.395 24.682 -16.642 448 2HE LYS 62 HE3 LYS 62 -31.050 25.184 -16.995 449 1HZ LYS 62 HZ1 LYS 62 -30.330 25.468 -14.685 450 2HZ LYS 62 HZ2 LYS 62 -31.710 24.526 -14.780 451 3HZ LYS 62 HZ3 LYS 62 -30.209 23.885 -14.468 452 H TYR 63 H TYR 63 -27.647 17.722 -15.712 453 HA TYR 63 HA TYR 63 -25.085 18.785 -16.458 454 1HB TYR 63 HB2 TYR 63 -24.440 19.326 -13.998 455 2HB TYR 63 HB3 TYR 63 -25.294 20.488 -14.913 456 HD1 TYR 63 HD1 TYR 63 -25.834 17.815 -12.309 457 HD2 TYR 63 HD2 TYR 63 -27.294 21.444 -14.118 458 HE1 TYR 63 HE1 TYR 63 -27.521 18.056 -10.493 459 HE2 TYR 63 HE2 TYR 63 -28.952 21.691 -12.280 460 HH TYR 63 HH TYR 63 -29.739 20.884 -10.353 461 H SER 64 H SER 64 -23.214 17.766 -15.669 462 HA SER 64 HA SER 64 -23.188 15.592 -13.808 463 1HB SER 64 HB2 SER 64 -24.337 14.515 -15.829 464 2HB SER 64 HB3 SER 64 -22.794 14.699 -16.701 465 HG SER 64 HG SER 64 -23.059 12.663 -15.609 466 H PHE 65 H PHE 65 -20.992 14.535 -13.744 467 HA PHE 65 HA PHE 65 -18.770 16.203 -14.750 468 1HB PHE 65 HB2 PHE 65 -18.094 16.558 -12.595 469 2HB PHE 65 HB3 PHE 65 -19.821 16.862 -12.600 470 HD1 PHE 65 HD1 PHE 65 -18.429 16.782 -10.149 471 HD2 PHE 65 HD2 PHE 65 -20.045 13.409 -12.336 472 HE1 PHE 65 HE1 PHE 65 -18.610 15.481 -8.035 473 HE2 PHE 65 HE2 PHE 65 -20.187 12.165 -10.239 474 HZ PHE 65 HZ PHE 65 -19.535 13.175 -8.088 475 H ASN 66 H ASN 66 -16.639 15.265 -13.664 476 HA ASN 66 HA ASN 66 -16.397 12.388 -14.417 477 1HB ASN 66 HB2 ASN 66 -14.105 12.814 -14.837 478 2HB ASN 66 HB3 ASN 66 -15.037 14.073 -15.656 479 1HD2 ASN 66 1HD2 ASN 66 -13.366 16.667 -13.866 480 2HD2 ASN 66 2HD2 ASN 66 -14.440 16.222 -15.192 481 H TYR 67 H TYR 67 -14.443 11.293 -13.195 482 HA TYR 67 HA TYR 67 -15.264 11.337 -10.333 483 1HB TYR 67 HB2 TYR 67 -13.948 9.131 -11.888 484 2HB TYR 67 HB3 TYR 67 -14.573 9.042 -10.264 485 HD1 TYR 67 HD1 TYR 67 -17.099 9.505 -9.891 486 HD2 TYR 67 HD2 TYR 67 -15.374 8.591 -13.739 487 HE1 TYR 67 HE1 TYR 67 -19.336 8.860 -10.736 488 HE2 TYR 67 HE2 TYR 67 -17.618 7.928 -14.595 489 HH TYR 67 HH TYR 67 -19.844 7.644 -14.090 490 H ASP 68 H ASP 68 -12.368 11.688 -12.271 491 HA ASP 68 HA ASP 68 -10.518 11.580 -9.927 492 1HB ASP 68 HB2 ASP 68 -8.750 11.490 -11.556 493 2HB ASP 68 HB3 ASP 68 -9.964 10.310 -12.019 494 H GLY 69 H GLY 69 -12.507 13.633 -10.311 495 1HA GLY 69 HA2 GLY 69 -11.273 16.093 -9.578 496 2HA GLY 69 HA3 GLY 69 -11.658 16.097 -11.313 497 H SER 70 H SER 70 -13.312 17.744 -10.804 498 HA SER 70 HA SER 70 -15.900 16.634 -9.855 499 1HB SER 70 HB2 SER 70 -14.785 19.088 -8.524 500 2HB SER 70 HB3 SER 70 -16.203 18.112 -8.102 501 HG SER 70 HG SER 70 -14.517 16.343 -7.892 502 H GLU 71 H GLU 71 -14.572 18.085 -12.332 503 HA GLU 71 HA GLU 71 -15.913 20.515 -12.788 504 1HB GLU 71 HB2 GLU 71 -14.828 18.447 -14.745 505 2HB GLU 71 HB3 GLU 71 -15.410 20.021 -15.201 506 1HG GLU 71 HG2 GLU 71 -13.010 20.080 -15.093 507 2HG GLU 71 HG3 GLU 71 -13.699 21.146 -13.866 508 H LEU 72 H LEU 72 -17.947 20.595 -12.266 509 HA LEU 72 HA LEU 72 -19.994 18.839 -13.406 510 1HB LEU 72 HB2 LEU 72 -20.134 19.844 -11.118 511 2HB LEU 72 HB3 LEU 72 -20.214 21.449 -11.855 512 HG LEU 72 HG LEU 72 -22.360 20.751 -12.981 513 1HD1 LEU 72 1HD1 LEU 72 -23.515 18.722 -11.915 514 2HD1 LEU 72 2HD1 LEU 72 -22.148 18.313 -12.970 515 3HD1 LEU 72 3HD1 LEU 72 -21.961 18.288 -11.190 516 1HD2 LEU 72 1HD2 LEU 72 -22.341 20.507 -9.936 517 2HD2 LEU 72 2HD2 LEU 72 -22.371 22.009 -10.896 518 3HD2 LEU 72 3HD2 LEU 72 -23.740 20.894 -10.966 519 H ILE 73 H ILE 73 -20.501 19.015 -15.463 520 HA ILE 73 HA ILE 73 -20.331 21.633 -16.869 521 HB ILE 73 HB ILE 73 -20.866 18.849 -17.969 522 1HG1 ILE 73 2HG1 ILE 73 -18.217 20.243 -18.434 523 2HG1 ILE 73 3HG1 ILE 73 -18.445 19.447 -16.890 524 1HG2 ILE 73 1HG2 ILE 73 -21.738 20.615 -19.353 525 2HG2 ILE 73 2HG2 ILE 73 -20.259 21.544 -19.268 526 3HG2 ILE 73 3HG2 ILE 73 -20.273 19.986 -20.149 527 1HD1 ILE 73 1HD1 ILE 73 -18.732 18.053 -19.567 528 2HD1 ILE 73 2HD1 ILE 73 -17.368 17.954 -18.444 529 3HD1 ILE 73 3HD1 ILE 73 -18.943 17.317 -17.960 530 H ILE 74 H ILE 74 -22.065 22.780 -17.043 531 HA ILE 74 HA ILE 74 -24.798 21.629 -16.592 532 HB ILE 74 HB ILE 74 -23.768 24.464 -16.197 533 1HG1 ILE 74 2HG1 ILE 74 -24.859 22.560 -14.086 534 2HG1 ILE 74 3HG1 ILE 74 -23.137 22.640 -14.450 535 1HG2 ILE 74 1HG2 ILE 74 -26.118 24.483 -16.968 536 2HG2 ILE 74 2HG2 ILE 74 -26.535 23.272 -15.753 537 3HG2 ILE 74 3HG2 ILE 74 -26.064 24.902 -15.258 538 1HD1 ILE 74 1HD1 ILE 74 -23.627 23.983 -12.500 539 2HD1 ILE 74 2HD1 ILE 74 -23.114 25.058 -13.820 540 3HD1 ILE 74 3HD1 ILE 74 -24.826 24.923 -13.378 541 H LYS 75 H LYS 75 -26.212 21.755 -18.265 542 HA LYS 75 HA LYS 75 -25.534 23.536 -20.570 543 1HB LYS 75 HB2 LYS 75 -26.676 21.987 -22.052 544 2HB LYS 75 HB3 LYS 75 -25.381 21.171 -21.179 545 1HG LYS 75 HG2 LYS 75 -27.191 20.316 -19.545 546 2HG LYS 75 HG3 LYS 75 -28.385 20.941 -20.661 547 1HD LYS 75 HD2 LYS 75 -26.228 18.885 -21.227 548 2HD LYS 75 HD3 LYS 75 -27.951 18.532 -20.984 549 1HE LYS 75 HE2 LYS 75 -26.841 20.202 -23.281 550 2HE LYS 75 HE3 LYS 75 -27.108 18.470 -23.391 551 1HZ LYS 75 HZ1 LYS 75 -29.216 20.501 -22.840 552 2HZ LYS 75 HZ2 LYS 75 -29.033 19.692 -24.237 553 3HZ LYS 75 HZ3 LYS 75 -29.484 18.882 -22.906 554 H LYS 76 H LYS 76 -27.114 24.608 -21.522 555 HA LYS 76 HA LYS 76 -28.959 25.949 -21.729 556 1HB LYS 76 HB2 LYS 76 -29.992 23.681 -22.115 557 2HB LYS 76 HB3 LYS 76 -30.501 23.644 -20.416 558 1HG LYS 76 HG2 LYS 76 -32.018 25.471 -20.741 559 2HG LYS 76 HG3 LYS 76 -31.321 25.870 -22.321 560 1HD LYS 76 HD2 LYS 76 -32.157 23.707 -23.199 561 2HD LYS 76 HD3 LYS 76 -32.925 23.351 -21.627 562 1HE LYS 76 HE2 LYS 76 -33.496 25.756 -23.449 563 2HE LYS 76 HE3 LYS 76 -34.446 24.263 -23.419 564 1HZ LYS 76 HZ1 LYS 76 -35.508 25.884 -22.023 565 2HZ LYS 76 HZ2 LYS 76 -34.931 24.706 -21.041 566 3HZ LYS 76 HZ3 LYS 76 -34.158 26.143 -21.129 567 H VAL 77 H VAL 77 -27.463 26.894 -19.898 568 HA VAL 77 HA VAL 77 -28.195 27.095 -17.235 569 HB VAL 77 HB VAL 77 -26.802 29.169 -18.960 570 1HG1 VAL 77 1HG1 VAL 77 -26.866 28.826 -15.937 571 2HG1 VAL 77 2HG1 VAL 77 -25.710 29.875 -16.829 572 3HG1 VAL 77 3HG1 VAL 77 -27.426 30.242 -16.853 573 1HG2 VAL 77 1HG2 VAL 77 -25.713 26.899 -17.242 574 2HG2 VAL 77 2HG2 VAL 77 -25.647 27.013 -19.019 575 3HG2 VAL 77 3HG2 VAL 77 -24.742 28.143 -18.048 576 H ASP 78 H ASP 78 -29.499 28.230 -15.966 577 HA ASP 78 HA ASP 78 -31.041 30.541 -16.970 578 1HB ASP 78 HB2 ASP 78 -32.243 28.115 -17.118 579 2HB ASP 78 HB3 ASP 78 -32.557 28.465 -15.414 580 H LYS 79 H LYS 79 -32.477 31.313 -15.044 581 HA LYS 79 HA LYS 79 -30.858 32.368 -12.952 582 1HB LYS 79 HB2 LYS 79 -33.884 32.068 -13.143 583 2HB LYS 79 HB3 LYS 79 -33.063 32.976 -11.876 584 1HG LYS 79 HG2 LYS 79 -31.997 34.409 -13.636 585 2HG LYS 79 HG3 LYS 79 -32.938 33.568 -14.880 586 1HD LYS 79 HD2 LYS 79 -35.055 34.232 -13.742 587 2HD LYS 79 HD3 LYS 79 -34.120 35.109 -12.509 588 1HE LYS 79 HE2 LYS 79 -33.180 36.581 -14.311 589 2HE LYS 79 HE3 LYS 79 -34.185 35.716 -15.500 590 1HZ LYS 79 HZ1 LYS 79 -35.202 37.306 -13.205 591 2HZ LYS 79 HZ2 LYS 79 -35.256 37.758 -14.756 592 3HZ LYS 79 HZ3 LYS 79 -36.149 36.476 -14.246 593 H SER 80 H SER 80 -32.498 29.251 -12.996 594 HA SER 80 HA SER 80 -32.411 28.772 -10.164 595 1HB SER 80 HB2 SER 80 -33.022 26.485 -10.881 596 2HB SER 80 HB3 SER 80 -34.038 27.737 -11.585 597 HG SER 80 HG SER 80 -33.420 26.249 -13.191 598 H ASP 81 H ASP 81 -29.938 28.670 -12.587 599 HA ASP 81 HA ASP 81 -28.276 26.744 -11.107 600 1HB ASP 81 HB2 ASP 81 -27.640 28.489 -13.483 601 2HB ASP 81 HB3 ASP 81 -26.602 27.195 -12.831 602 H GLU 82 H GLU 82 -28.907 30.088 -10.720 603 HA GLU 82 HA GLU 82 -26.405 31.081 -9.752 604 1HB GLU 82 HB2 GLU 82 -28.561 32.404 -10.165 605 2HB GLU 82 HB3 GLU 82 -29.188 31.692 -8.653 606 1HG GLU 82 HG2 GLU 82 -27.212 32.695 -7.455 607 2HG GLU 82 HG3 GLU 82 -26.723 33.457 -8.975 608 H ALA 83 H ALA 83 -25.266 30.749 -7.841 609 HA ALA 83 HA ALA 83 -26.442 29.161 -5.657 610 1HB ALA 83 HB1 ALA 83 -24.311 27.985 -7.500 611 2HB ALA 83 HB2 ALA 83 -24.928 27.203 -6.049 612 3HB ALA 83 HB3 ALA 83 -25.983 27.481 -7.456 613 H GLU 84 H GLU 84 -25.297 28.939 -3.853 614 HA GLU 84 HA GLU 84 -22.518 30.038 -3.663 615 1HB GLU 84 HB2 GLU 84 -24.241 31.245 -2.273 616 2HB GLU 84 HB3 GLU 84 -24.583 29.716 -1.431 617 1HG GLU 84 HG2 GLU 84 -22.260 29.634 -0.626 618 2HG GLU 84 HG3 GLU 84 -21.872 31.077 -1.541 619 H TYR 85 H TYR 85 -21.574 28.161 -4.441 620 HA TYR 85 HA TYR 85 -22.533 25.538 -3.752 621 1HB TYR 85 HB2 TYR 85 -20.027 26.439 -5.155 622 2HB TYR 85 HB3 TYR 85 -20.493 24.765 -4.993 623 HD1 TYR 85 HD1 TYR 85 -23.069 24.321 -5.794 624 HD2 TYR 85 HD2 TYR 85 -20.451 27.395 -7.272 625 HE1 TYR 85 HE1 TYR 85 -24.251 24.275 -8.023 626 HE2 TYR 85 HE2 TYR 85 -21.592 27.310 -9.477 627 HH TYR 85 HH TYR 85 -23.277 26.291 -10.733 628 H ILE 86 H ILE 86 -21.805 24.152 -2.196 629 HA ILE 86 HA ILE 86 -19.167 24.647 -0.878 630 HB ILE 86 HB ILE 86 -21.691 23.964 0.679 631 1HG1 ILE 86 2HG1 ILE 86 -20.135 26.598 0.623 632 2HG1 ILE 86 3HG1 ILE 86 -21.745 26.325 -0.071 633 1HG2 ILE 86 1HG2 ILE 86 -18.844 24.601 1.590 634 2HG2 ILE 86 2HG2 ILE 86 -20.238 24.159 2.650 635 3HG2 ILE 86 3HG2 ILE 86 -19.578 22.987 1.554 636 1HD1 ILE 86 1HD1 ILE 86 -22.637 25.825 2.215 637 2HD1 ILE 86 2HD1 ILE 86 -21.073 26.285 2.891 638 3HD1 ILE 86 3HD1 ILE 86 -22.041 27.461 2.016 639 H CYS 87 H CYS 87 -17.968 22.912 -0.952 640 HA CYS 87 HA CYS 87 -19.236 20.252 -1.287 641 1HB CYS 87 HB2 CYS 87 -17.457 19.526 -2.639 642 2HB CYS 87 HB3 CYS 87 -18.055 21.012 -3.344 643 H ILE 88 H ILE 88 -18.397 18.480 -0.442 644 HA ILE 88 HA ILE 88 -16.382 18.679 1.751 645 HB ILE 88 HB ILE 88 -18.963 17.046 1.849 646 1HG1 ILE 88 2HG1 ILE 88 -19.304 18.692 3.951 647 2HG1 ILE 88 3HG1 ILE 88 -18.332 19.800 3.004 648 1HG2 ILE 88 1HG2 ILE 88 -16.774 17.633 3.909 649 2HG2 ILE 88 2HG2 ILE 88 -18.248 16.688 4.225 650 3HG2 ILE 88 3HG2 ILE 88 -17.049 16.080 3.080 651 1HD1 ILE 88 1HD1 ILE 88 -20.932 18.482 2.064 652 2HD1 ILE 88 2HD1 ILE 88 -20.793 20.097 2.748 653 3HD1 ILE 88 3HD1 ILE 88 -20.032 19.735 1.184 654 H ALA 89 H ALA 89 -14.779 17.271 1.440 655 HA ALA 89 HA ALA 89 -15.314 14.724 -0.039 656 1HB ALA 89 HB1 ALA 89 -13.941 16.179 -1.359 657 2HB ALA 89 HB2 ALA 89 -12.783 16.381 -0.024 658 3HB ALA 89 HB3 ALA 89 -12.968 14.793 -0.772 659 H GLU 90 H GLU 90 -14.515 12.855 0.826 660 HA GLU 90 HA GLU 90 -13.081 12.899 3.431 661 1HB GLU 90 HB2 GLU 90 -15.550 13.012 3.860 662 2HB GLU 90 HB3 GLU 90 -15.746 11.536 2.904 663 1HG GLU 90 HG2 GLU 90 -14.343 10.282 4.509 664 2HG GLU 90 HG3 GLU 90 -14.104 11.748 5.446 665 H ASN 91 H ASN 91 -11.890 11.003 3.827 666 HA ASN 91 HA ASN 91 -12.482 8.577 2.367 667 1HB ASN 91 HB2 ASN 91 -10.578 8.233 1.098 668 2HB ASN 91 HB3 ASN 91 -10.958 9.885 0.806 669 1HD2 ASN 91 1HD2 ASN 91 -7.316 9.814 1.202 670 2HD2 ASN 91 2HD2 ASN 91 -8.480 9.062 0.109 671 H LYS 92 H LYS 92 -10.473 6.952 3.022 672 HA LYS 92 HA LYS 92 -10.754 6.503 5.846 673 1HB LYS 92 HB2 LYS 92 -8.888 4.827 5.442 674 2HB LYS 92 HB3 LYS 92 -10.427 4.556 4.643 675 1HG LYS 92 HG2 LYS 92 -8.177 5.959 3.183 676 2HG LYS 92 HG3 LYS 92 -8.097 4.225 3.431 677 1HD LYS 92 HD2 LYS 92 -10.369 5.591 1.958 678 2HD LYS 92 HD3 LYS 92 -8.940 4.917 1.230 679 1HE LYS 92 HE2 LYS 92 -10.363 3.168 0.901 680 2HE LYS 92 HE3 LYS 92 -9.629 2.695 2.434 681 1HZ LYS 92 HZ1 LYS 92 -12.052 2.476 2.410 682 2HZ LYS 92 HZ2 LYS 92 -11.614 3.513 3.585 683 3HZ LYS 92 HZ3 LYS 92 -12.260 4.072 2.182 684 H ALA 93 H ALA 93 -8.474 8.451 4.244 685 HA ALA 93 HA ALA 93 -6.631 8.551 6.576 686 1HB ALA 93 HB1 ALA 93 -5.722 8.240 4.315 687 2HB ALA 93 HB2 ALA 93 -6.429 9.784 3.834 688 3HB ALA 93 HB3 ALA 93 -5.149 9.744 5.067 689 H GLY 94 H GLY 94 -9.227 10.555 5.195 690 1HA GLY 94 HA2 GLY 94 -9.270 12.286 7.469 691 2HA GLY 94 HA3 GLY 94 -8.285 13.035 6.221 692 H GLU 95 H GLU 95 -9.834 14.785 6.374 693 HA GLU 95 HA GLU 95 -12.198 14.482 4.630 694 1HB GLU 95 HB2 GLU 95 -12.847 14.055 7.032 695 2HB GLU 95 HB3 GLU 95 -12.340 15.690 7.418 696 1HG GLU 95 HG2 GLU 95 -14.074 16.492 5.672 697 2HG GLU 95 HG3 GLU 95 -14.630 14.816 5.596 698 H GLN 96 H GLN 96 -12.800 16.523 3.679 699 HA GLN 96 HA GLN 96 -11.282 18.984 4.279 700 1HB GLN 96 HB2 GLN 96 -9.977 17.250 2.703 701 2HB GLN 96 HB3 GLN 96 -11.042 17.948 1.482 702 1HG GLN 96 HG2 GLN 96 -8.991 19.140 1.393 703 2HG GLN 96 HG3 GLN 96 -10.135 20.231 2.187 704 1HE2 GLN 96 1HE2 GLN 96 -7.108 18.513 4.421 705 2HE2 GLN 96 2HE2 GLN 96 -7.616 17.740 2.940 706 H ASP 97 H ASP 97 -11.945 20.860 2.858 707 HA ASP 97 HA ASP 97 -14.467 20.596 1.402 708 1HB ASP 97 HB2 ASP 97 -15.711 22.128 2.795 709 2HB ASP 97 HB3 ASP 97 -15.143 20.831 3.803 710 H ALA 98 H ALA 98 -15.113 22.414 0.210 711 HA ALA 98 HA ALA 98 -13.621 24.908 0.225 712 1HB ALA 98 HB1 ALA 98 -13.539 23.171 -2.288 713 2HB ALA 98 HB2 ALA 98 -12.915 24.835 -2.162 714 3HB ALA 98 HB3 ALA 98 -12.195 23.530 -1.204 715 H THR 99 H THR 99 -14.516 26.430 -1.620 716 HA THR 99 HA THR 99 -17.467 26.254 -1.832 717 HB THR 99 HB THR 99 -15.895 28.448 -0.427 718 HG1 THR 99 HG1 THR 99 -16.278 26.686 0.892 719 1HG2 THR 99 1HG2 THR 99 -17.793 29.520 -1.573 720 2HG2 THR 99 2HG2 THR 99 -18.896 28.353 -0.808 721 3HG2 THR 99 3HG2 THR 99 -17.978 29.525 0.176 722 H ILE 100 H ILE 100 -18.366 27.499 -3.525 723 HA ILE 100 HA ILE 100 -16.702 29.409 -5.122 724 HB ILE 100 HB ILE 100 -18.352 27.171 -6.349 725 1HG1 ILE 100 2HG1 ILE 100 -15.803 26.811 -7.336 726 2HG1 ILE 100 3HG1 ILE 100 -15.470 27.262 -5.679 727 1HG2 ILE 100 1HG2 ILE 100 -17.269 27.949 -8.477 728 2HG2 ILE 100 2HG2 ILE 100 -18.503 28.995 -7.816 729 3HG2 ILE 100 3HG2 ILE 100 -16.804 29.421 -7.613 730 1HD1 ILE 100 1HD1 ILE 100 -17.295 25.003 -6.640 731 2HD1 ILE 100 2HD1 ILE 100 -15.705 24.833 -5.872 732 3HD1 ILE 100 3HD1 ILE 100 -17.068 25.459 -4.942 733 H HIS 101 H HIS 101 -17.961 31.077 -6.094 734 HA HIS 101 HA HIS 101 -20.915 31.068 -5.509 735 1HB HIS 101 HB2 HIS 101 -19.253 33.433 -6.347 736 2HB HIS 101 HB3 HIS 101 -20.880 33.426 -5.690 737 HD1 HIS 101 HD1 HIS 101 -17.216 33.119 -4.628 738 HD2 HIS 101 HD2 HIS 101 -21.110 33.121 -2.987 739 HE1 HIS 101 HE1 HIS 101 -16.956 33.389 -2.081 740 H LEU 102 H LEU 102 -22.392 31.349 -7.205 741 HA LEU 102 HA LEU 102 -21.356 31.956 -9.920 742 1HB LEU 102 HB2 LEU 102 -21.623 29.628 -10.032 743 2HB LEU 102 HB3 LEU 102 -23.131 29.643 -9.136 744 HG LEU 102 HG LEU 102 -24.330 30.625 -10.999 745 1HD1 LEU 102 1HD1 LEU 102 -22.591 32.061 -12.017 746 2HD1 LEU 102 2HD1 LEU 102 -21.685 30.628 -12.515 747 3HD1 LEU 102 3HD1 LEU 102 -23.295 30.951 -13.218 748 1HD2 LEU 102 1HD2 LEU 102 -22.543 28.372 -11.970 749 2HD2 LEU 102 2HD2 LEU 102 -23.956 28.189 -10.917 750 3HD2 LEU 102 3HD2 LEU 102 -24.162 28.766 -12.583 751 H LYS 103 H LYS 103 -22.210 33.826 -10.422 752 HA LYS 103 HA LYS 103 -24.991 34.601 -9.601 753 1HB LYS 103 HB2 LYS 103 -22.656 36.293 -10.590 754 2HB LYS 103 HB3 LYS 103 -24.258 36.900 -10.165 755 1HG LYS 103 HG2 LYS 103 -22.327 35.612 -8.189 756 2HG LYS 103 HG3 LYS 103 -22.562 37.337 -8.461 757 1HD LYS 103 HD2 LYS 103 -23.905 37.054 -6.634 758 2HD LYS 103 HD3 LYS 103 -25.109 36.769 -7.902 759 1HE LYS 103 HE2 LYS 103 -24.716 34.288 -7.625 760 2HE LYS 103 HE3 LYS 103 -23.538 34.660 -6.336 761 1HZ LYS 103 HZ1 LYS 103 -25.410 35.734 -5.116 762 2HZ LYS 103 HZ2 LYS 103 -26.437 35.228 -6.304 763 3HZ LYS 103 HZ3 LYS 103 -25.677 34.150 -5.360 764 H VAL 104 H VAL 104 -26.419 33.832 -11.121 765 HA VAL 104 HA VAL 104 -25.782 34.178 -14.022 766 HB VAL 104 HB VAL 104 -28.100 32.782 -12.635 767 1HG1 VAL 104 1HG1 VAL 104 -28.528 31.856 -14.942 768 2HG1 VAL 104 2HG1 VAL 104 -28.881 33.565 -14.769 769 3HG1 VAL 104 3HG1 VAL 104 -27.389 33.039 -15.591 770 1HG2 VAL 104 1HG2 VAL 104 -25.975 31.571 -12.374 771 2HG2 VAL 104 2HG2 VAL 104 -27.015 30.728 -13.537 772 3HG2 VAL 104 3HG2 VAL 104 -25.648 31.691 -14.120 773 H PHE 105 H PHE 105 -26.814 35.692 -15.297 774 HA PHE 105 HA PHE 105 -29.092 37.244 -14.155 775 1HB PHE 105 HB2 PHE 105 -27.968 39.143 -15.482 776 2HB PHE 105 HB3 PHE 105 -27.392 38.738 -13.871 777 HD1 PHE 105 HD1 PHE 105 -25.135 38.289 -13.516 778 HD2 PHE 105 HD2 PHE 105 -26.653 38.237 -17.550 779 HE1 PHE 105 HE1 PHE 105 -22.820 38.132 -14.394 780 HE2 PHE 105 HE2 PHE 105 -24.352 38.102 -18.423 781 HZ PHE 105 HZ PHE 105 -22.414 38.015 -16.863 782 H ALA 106 H ALA 106 -30.523 38.208 -15.669 783 HA ALA 106 HA ALA 106 -30.672 36.818 -18.307 784 1HB ALA 106 HB1 ALA 106 -32.875 37.993 -16.590 785 2HB ALA 106 HB2 ALA 106 -33.074 37.139 -18.140 786 3HB ALA 106 HB3 ALA 106 -32.436 36.262 -16.749 787 H LYS 107 H LYS 107 -28.907 38.740 -18.453 788 HA LYS 107 HA LYS 107 -28.192 40.741 -19.268 789 1HB LYS 107 HB2 LYS 107 -30.740 40.585 -20.924 790 2HB LYS 107 HB3 LYS 107 -29.385 41.649 -21.248 791 1HG LYS 107 HG2 LYS 107 -27.913 39.683 -21.591 792 2HG LYS 107 HG3 LYS 107 -29.299 38.597 -21.317 793 1HD LYS 107 HD2 LYS 107 -30.510 39.630 -23.232 794 2HD LYS 107 HD3 LYS 107 -29.106 40.676 -23.528 795 1HE LYS 107 HE2 LYS 107 -27.666 38.696 -23.883 796 2HE LYS 107 HE3 LYS 107 -29.052 37.632 -23.576 797 1HZ LYS 107 HZ1 LYS 107 -30.151 38.562 -25.535 798 2HZ LYS 107 HZ2 LYS 107 -28.926 39.589 -25.826 799 3HZ LYS 107 HZ3 LYS 107 -28.685 37.976 -25.967 Start of MODEL 3 1 1H GLY 1 H1 GLY 1 -2.426 -3.420 7.052 2 2H GLY 1 H2 GLY 1 -3.289 -2.827 5.785 3 3H GLY 1 H3 GLY 1 -1.770 -3.412 5.533 4 1HA GLY 1 HA2 GLY 1 -0.790 -1.676 6.887 5 2HA GLY 1 HA3 GLY 1 -1.706 -1.012 5.502 6 H LYS 2 H LYS 2 -1.744 0.962 6.808 7 HA LYS 2 HA LYS 2 -4.184 1.220 8.407 8 1HB LYS 2 HB2 LYS 2 -2.195 0.433 9.949 9 2HB LYS 2 HB3 LYS 2 -1.568 2.063 9.695 10 1HG LYS 2 HG2 LYS 2 -3.778 2.936 10.624 11 2HG LYS 2 HG3 LYS 2 -4.223 1.256 10.955 12 1HD LYS 2 HD2 LYS 2 -2.177 1.033 12.373 13 2HD LYS 2 HD3 LYS 2 -1.825 2.745 12.078 14 1HE LYS 2 HE2 LYS 2 -3.928 3.372 13.165 15 2HE LYS 2 HE3 LYS 2 -4.328 1.684 13.435 16 1HZ LYS 2 HZ1 LYS 2 -3.260 2.772 15.386 17 2HZ LYS 2 HZ2 LYS 2 -2.407 1.487 14.876 18 3HZ LYS 2 HZ3 LYS 2 -1.879 2.982 14.509 19 H ASP 3 H ASP 3 -4.803 3.416 8.639 20 HA ASP 3 HA ASP 3 -3.779 5.247 6.588 21 1HB ASP 3 HB2 ASP 3 -6.026 5.479 8.643 22 2HB ASP 3 HB3 ASP 3 -5.727 6.602 7.336 23 H ILE 4 H ILE 4 -3.007 4.745 9.830 24 HA ILE 4 HA ILE 4 -2.530 7.605 10.489 25 HB ILE 4 HB ILE 4 -2.381 5.146 12.258 26 1HG1 ILE 4 2HG1 ILE 4 -4.630 5.228 11.455 27 2HG1 ILE 4 3HG1 ILE 4 -4.590 5.753 13.117 28 1HG2 ILE 4 1HG2 ILE 4 -2.530 8.095 12.970 29 2HG2 ILE 4 2HG2 ILE 4 -2.785 6.751 14.123 30 3HG2 ILE 4 3HG2 ILE 4 -1.227 6.953 13.344 31 1HD1 ILE 4 1HD1 ILE 4 -4.900 7.588 10.702 32 2HD1 ILE 4 2HD1 ILE 4 -6.157 7.097 11.837 33 3HD1 ILE 4 3HD1 ILE 4 -4.833 8.121 12.400 34 H GLN 5 H GLN 5 -0.594 4.748 9.744 35 HA GLN 5 HA GLN 5 1.892 6.264 10.123 36 1HB GLN 5 HB2 GLN 5 2.828 4.892 11.880 37 2HB GLN 5 HB3 GLN 5 1.284 5.511 12.421 38 1HG GLN 5 HG2 GLN 5 0.355 3.169 11.492 39 2HG GLN 5 HG3 GLN 5 2.030 2.698 11.652 40 1HE2 GLN 5 1HE2 GLN 5 1.901 2.692 15.248 41 2HE2 GLN 5 2HE2 GLN 5 2.976 2.678 13.858 42 H VAL 6 H VAL 6 0.727 5.040 7.861 43 HA VAL 6 HA VAL 6 3.042 3.412 6.941 44 HB VAL 6 HB VAL 6 0.188 2.680 6.186 45 1HG1 VAL 6 1HG1 VAL 6 1.242 0.719 5.162 46 2HG1 VAL 6 2HG1 VAL 6 1.855 2.213 4.420 47 3HG1 VAL 6 3HG1 VAL 6 2.845 1.329 5.603 48 1HG2 VAL 6 1HG2 VAL 6 0.653 0.525 7.429 49 2HG2 VAL 6 2HG2 VAL 6 2.134 1.290 8.076 50 3HG2 VAL 6 3HG2 VAL 6 0.545 1.922 8.515 51 H ILE 7 H ILE 7 3.896 4.312 5.162 52 HA ILE 7 HA ILE 7 2.553 6.659 4.083 53 HB ILE 7 HB ILE 7 5.319 5.694 3.340 54 1HG1 ILE 7 2HG1 ILE 7 5.310 5.955 5.781 55 2HG1 ILE 7 3HG1 ILE 7 6.180 7.257 5.009 56 1HG2 ILE 7 1HG2 ILE 7 3.796 8.344 3.165 57 2HG2 ILE 7 2HG2 ILE 7 5.555 8.209 2.897 58 3HG2 ILE 7 3HG2 ILE 7 4.424 7.371 1.818 59 1HD1 ILE 7 1HD1 ILE 7 3.330 7.444 6.159 60 2HD1 ILE 7 2HD1 ILE 7 4.832 8.050 6.903 61 3HD1 ILE 7 3HD1 ILE 7 4.231 8.770 5.404 62 H VAL 8 H VAL 8 0.889 5.692 3.161 63 HA VAL 8 HA VAL 8 1.083 5.150 0.276 64 HB VAL 8 HB VAL 8 -0.292 3.146 2.104 65 1HG1 VAL 8 1HG1 VAL 8 -0.800 1.937 -0.020 66 2HG1 VAL 8 2HG1 VAL 8 -1.574 3.505 0.021 67 3HG1 VAL 8 3HG1 VAL 8 -0.104 3.269 -0.935 68 1HG2 VAL 8 1HG2 VAL 8 1.230 1.457 1.033 69 2HG2 VAL 8 2HG2 VAL 8 2.148 2.808 0.313 70 3HG2 VAL 8 3HG2 VAL 8 2.077 2.601 2.084 71 H ASN 9 H ASN 9 -1.015 5.219 3.113 72 HA ASN 9 HA ASN 9 -3.245 6.430 1.728 73 1HB ASN 9 HB2 ASN 9 -2.766 5.962 4.690 74 2HB ASN 9 HB3 ASN 9 -4.301 6.394 3.928 75 1HD2 ASN 9 1HD2 ASN 9 -3.241 2.536 3.917 76 2HD2 ASN 9 2HD2 ASN 9 -2.609 3.707 5.060 77 H VAL 10 H VAL 10 -4.086 8.496 1.942 78 HA VAL 10 HA VAL 10 -2.486 10.683 3.130 79 HB VAL 10 HB VAL 10 -3.198 10.509 0.181 80 1HG1 VAL 10 1HG1 VAL 10 -3.389 12.797 0.848 81 2HG1 VAL 10 2HG1 VAL 10 -1.879 12.716 1.778 82 3HG1 VAL 10 3HG1 VAL 10 -1.861 12.597 -0.012 83 1HG2 VAL 10 1HG2 VAL 10 -0.474 10.485 1.511 84 2HG2 VAL 10 2HG2 VAL 10 -1.211 9.137 0.621 85 3HG2 VAL 10 3HG2 VAL 10 -0.772 10.608 -0.236 86 HA PRO 11 HA PRO 11 -6.772 11.909 3.979 87 1HB PRO 11 HB2 PRO 11 -5.292 14.485 4.568 88 2HB PRO 11 HB3 PRO 11 -6.647 13.712 5.478 89 1HG PRO 11 HG2 PRO 11 -4.114 13.447 6.360 90 2HG PRO 11 HG3 PRO 11 -5.191 12.013 6.319 91 1HD PRO 11 HD2 PRO 11 -3.065 12.799 4.341 92 2HD PRO 11 HD3 PRO 11 -3.401 11.193 5.041 93 HA PRO 12 HA PRO 12 -7.530 13.820 0.139 94 1HB PRO 12 HB2 PRO 12 -10.167 14.539 0.249 95 2HB PRO 12 HB3 PRO 12 -9.659 12.852 0.446 96 1HG PRO 12 HG2 PRO 12 -10.267 14.857 2.639 97 2HG PRO 12 HG3 PRO 12 -10.867 13.173 2.460 98 1HD PRO 12 HD2 PRO 12 -8.691 13.839 4.014 99 2HD PRO 12 HD3 PRO 12 -8.872 12.260 3.160 100 H SER 13 H SER 13 -8.190 15.853 -1.005 101 HA SER 13 HA SER 13 -8.238 18.356 0.562 102 1HB SER 13 HB2 SER 13 -5.847 17.703 0.383 103 2HB SER 13 HB3 SER 13 -5.951 17.912 -1.378 104 HG SER 13 HG SER 13 -6.600 19.893 0.570 105 H VAL 14 H VAL 14 -10.349 18.348 -0.368 106 HA VAL 14 HA VAL 14 -10.632 18.825 -3.235 107 HB VAL 14 HB VAL 14 -12.335 17.690 -1.836 108 1HG1 VAL 14 1HG1 VAL 14 -12.302 19.290 0.104 109 2HG1 VAL 14 2HG1 VAL 14 -13.115 20.487 -0.907 110 3HG1 VAL 14 3HG1 VAL 14 -13.931 18.959 -0.533 111 1HG2 VAL 14 1HG2 VAL 14 -12.886 18.525 -4.045 112 2HG2 VAL 14 2HG2 VAL 14 -14.277 18.687 -2.977 113 3HG2 VAL 14 3HG2 VAL 14 -13.276 20.104 -3.378 114 H ARG 15 H ARG 15 -10.782 20.690 -4.295 115 HA ARG 15 HA ARG 15 -10.370 23.246 -2.750 116 1HB ARG 15 HB2 ARG 15 -8.614 22.078 -4.969 117 2HB ARG 15 HB3 ARG 15 -8.529 23.771 -4.427 118 1HG ARG 15 HG2 ARG 15 -8.005 23.117 -2.161 119 2HG ARG 15 HG3 ARG 15 -8.129 21.393 -2.564 120 1HD ARG 15 HD2 ARG 15 -6.294 21.804 -4.305 121 2HD ARG 15 HD3 ARG 15 -6.041 23.377 -3.524 122 HE ARG 15 HE ARG 15 -6.079 21.031 -1.694 123 1HH1 ARG 15 1HH1 ARG 15 -4.393 20.369 -0.678 124 2HH1 ARG 15 2HH1 ARG 15 -2.768 20.886 -1.136 125 1HH2 ARG 15 1HH2 ARG 15 -2.477 22.317 -2.816 126 2HH2 ARG 15 2HH2 ARG 15 -3.863 22.926 -3.672 127 H ALA 16 H ALA 16 -10.589 25.164 -3.924 128 HA ALA 16 HA ALA 16 -12.887 25.063 -5.799 129 1HB ALA 16 HB1 ALA 16 -11.447 27.357 -4.436 130 2HB ALA 16 HB2 ALA 16 -12.853 27.540 -5.472 131 3HB ALA 16 HB3 ALA 16 -13.015 26.632 -3.963 132 H ARG 17 H ARG 17 -12.411 24.685 -7.879 133 HA ARG 17 HA ARG 17 -9.854 25.446 -9.099 134 1HB ARG 17 HB2 ARG 17 -11.324 23.419 -9.728 135 2HB ARG 17 HB3 ARG 17 -12.325 24.574 -10.623 136 1HG ARG 17 HG2 ARG 17 -10.293 25.260 -11.935 137 2HG ARG 17 HG3 ARG 17 -9.350 24.038 -11.086 138 1HD ARG 17 HD2 ARG 17 -11.827 23.454 -12.785 139 2HD ARG 17 HD3 ARG 17 -10.206 23.459 -13.436 140 HE ARG 17 HE ARG 17 -11.422 21.294 -12.031 141 1HH1 ARG 17 1HH1 ARG 17 -10.433 19.461 -11.887 142 2HH1 ARG 17 2HH1 ARG 17 -8.677 19.336 -11.845 143 1HH2 ARG 17 1HH2 ARG 17 -8.213 22.708 -12.405 144 2HH2 ARG 17 2HH2 ARG 17 -7.465 21.144 -12.224 145 H GLN 18 H GLN 18 -12.868 27.055 -8.705 146 HA GLN 18 HA GLN 18 -11.730 29.533 -9.827 147 1HB GLN 18 HB2 GLN 18 -14.591 28.683 -10.497 148 2HB GLN 18 HB3 GLN 18 -13.779 30.159 -10.942 149 1HG GLN 18 HG2 GLN 18 -13.655 29.013 -12.904 150 2HG GLN 18 HG3 GLN 18 -12.085 28.636 -12.232 151 1HE2 GLN 18 1HE2 GLN 18 -13.174 25.390 -13.457 152 2HE2 GLN 18 2HE2 GLN 18 -12.304 26.861 -13.910 153 H SER 19 H SER 19 -12.528 31.411 -8.695 154 HA SER 19 HA SER 19 -13.834 30.847 -6.098 155 1HB SER 19 HB2 SER 19 -12.586 33.396 -7.164 156 2HB SER 19 HB3 SER 19 -13.103 33.082 -5.510 157 HG SER 19 HG SER 19 -10.844 32.732 -5.817 158 H THR 20 H THR 20 -14.727 32.150 -9.141 159 HA THR 20 HA THR 20 -17.508 32.552 -8.433 160 HB THR 20 HB THR 20 -15.740 34.985 -8.778 161 HG1 THR 20 HG1 THR 20 -16.670 34.163 -6.765 162 1HG2 THR 20 1HG2 THR 20 -17.763 36.376 -9.194 163 2HG2 THR 20 2HG2 THR 20 -17.355 35.380 -10.573 164 3HG2 THR 20 3HG2 THR 20 -18.702 34.882 -9.513 165 H MET 21 H MET 21 -18.725 32.281 -10.146 166 HA MET 21 HA MET 21 -17.615 32.419 -12.937 167 1HB MET 21 HB2 MET 21 -19.496 30.407 -11.614 168 2HB MET 21 HB3 MET 21 -19.209 30.454 -13.338 169 1HG MET 21 HG2 MET 21 -17.122 30.000 -11.192 170 2HG MET 21 HG3 MET 21 -17.887 28.753 -12.145 171 1HE MET 21 HE1 MET 21 -16.406 29.167 -15.681 172 2HE MET 21 HE2 MET 21 -17.639 28.414 -14.648 173 3HE MET 21 HE3 MET 21 -17.840 30.111 -15.182 174 H ASN 22 H ASN 22 -19.323 32.667 -14.557 175 HA ASN 22 HA ASN 22 -21.898 33.757 -13.831 176 1HB ASN 22 HB2 ASN 22 -21.618 35.968 -14.738 177 2HB ASN 22 HB3 ASN 22 -20.512 35.736 -13.402 178 1HD2 ASN 22 1HD2 ASN 22 -17.634 36.227 -15.473 179 2HD2 ASN 22 2HD2 ASN 22 -18.237 35.825 -13.870 180 H ALA 23 H ALA 23 -23.288 34.171 -15.613 181 HA ALA 23 HA ALA 23 -22.658 33.523 -18.355 182 1HB ALA 23 HB1 ALA 23 -23.991 31.432 -18.427 183 2HB ALA 23 HB2 ALA 23 -22.538 31.258 -17.431 184 3HB ALA 23 HB3 ALA 23 -24.115 31.485 -16.651 185 H THR 24 H THR 24 -24.696 33.543 -19.695 186 HA THR 24 HA THR 24 -26.586 35.524 -18.594 187 HB THR 24 HB THR 24 -26.659 34.443 -21.429 188 HG1 THR 24 HG1 THR 24 -24.848 36.320 -20.327 189 1HG2 THR 24 1HG2 THR 24 -28.430 35.993 -20.718 190 2HG2 THR 24 2HG2 THR 24 -27.238 37.168 -20.160 191 3HG2 THR 24 3HG2 THR 24 -27.349 36.786 -21.905 192 H ALA 25 H ALA 25 -28.612 35.013 -17.988 193 HA ALA 25 HA ALA 25 -29.600 32.285 -18.143 194 1HB ALA 25 HB1 ALA 25 -30.145 33.482 -16.186 195 2HB ALA 25 HB2 ALA 25 -30.739 34.897 -17.080 196 3HB ALA 25 HB3 ALA 25 -31.662 33.386 -17.087 197 H ASN 26 H ASN 26 -31.347 31.503 -19.169 198 HA ASN 26 HA ASN 26 -33.052 31.178 -20.574 199 1HB ASN 26 HB2 ASN 26 -33.716 33.443 -19.394 200 2HB ASN 26 HB3 ASN 26 -33.448 34.138 -20.993 201 1HD2 ASN 26 1HD2 ASN 26 -36.545 31.498 -20.395 202 2HD2 ASN 26 2HD2 ASN 26 -35.120 31.428 -19.363 203 H LEU 27 H LEU 27 -30.238 32.366 -21.721 204 HA LEU 27 HA LEU 27 -30.991 32.294 -24.593 205 1HB LEU 27 HB2 LEU 27 -28.276 32.756 -23.302 206 2HB LEU 27 HB3 LEU 27 -28.656 32.834 -25.006 207 HG LEU 27 HG LEU 27 -29.631 34.746 -22.868 208 1HD1 LEU 27 1HD1 LEU 27 -28.355 36.375 -24.229 209 2HD1 LEU 27 2HD1 LEU 27 -27.307 35.053 -23.708 210 3HD1 LEU 27 3HD1 LEU 27 -27.916 35.077 -25.377 211 1HD2 LEU 27 1HD2 LEU 27 -30.398 34.608 -25.802 212 2HD2 LEU 27 2HD2 LEU 27 -31.495 34.502 -24.431 213 3HD2 LEU 27 3HD2 LEU 27 -30.668 36.014 -24.773 214 H SER 28 H SER 28 -30.574 29.922 -22.397 215 HA SER 28 HA SER 28 -30.293 27.752 -22.454 216 1HB SER 28 HB2 SER 28 -30.659 26.473 -24.354 217 2HB SER 28 HB3 SER 28 -31.568 27.968 -24.587 218 HG SER 28 HG SER 28 -29.643 28.677 -25.816 219 H GLN 29 H GLN 29 -27.912 29.580 -22.460 220 HA GLN 29 HA GLN 29 -25.635 28.398 -23.520 221 1HB GLN 29 HB2 GLN 29 -26.107 30.068 -21.029 222 2HB GLN 29 HB3 GLN 29 -24.486 29.563 -21.504 223 1HG GLN 29 HG2 GLN 29 -24.717 30.650 -23.702 224 2HG GLN 29 HG3 GLN 29 -26.337 31.204 -23.268 225 1HE2 GLN 29 1HE2 GLN 29 -25.099 33.301 -23.908 226 2HE2 GLN 29 2HE2 GLN 29 -24.507 34.171 -22.486 227 H SER 30 H SER 30 -23.901 27.213 -22.722 228 HA SER 30 HA SER 30 -24.442 25.319 -20.477 229 1HB SER 30 HB2 SER 30 -22.877 24.849 -23.040 230 2HB SER 30 HB3 SER 30 -22.893 23.765 -21.630 231 HG SER 30 HG SER 30 -24.473 23.213 -23.293 232 H VAL 31 H VAL 31 -22.882 25.047 -19.005 233 HA VAL 31 HA VAL 31 -20.460 26.856 -19.039 234 HB VAL 31 HB VAL 31 -22.567 26.569 -16.869 235 1HG1 VAL 31 1HG1 VAL 31 -21.313 28.432 -15.738 236 2HG1 VAL 31 2HG1 VAL 31 -20.417 26.931 -15.782 237 3HG1 VAL 31 3HG1 VAL 31 -20.009 28.229 -16.940 238 1HG2 VAL 31 1HG2 VAL 31 -21.792 28.997 -18.547 239 2HG2 VAL 31 2HG2 VAL 31 -23.281 28.062 -18.750 240 3HG2 VAL 31 3HG2 VAL 31 -23.009 28.974 -17.256 241 H THR 32 H THR 32 -18.693 26.063 -17.813 242 HA THR 32 HA THR 32 -19.078 23.553 -16.225 243 HB THR 32 HB THR 32 -16.566 24.312 -17.716 244 HG1 THR 32 HG1 THR 32 -18.097 23.679 -19.192 245 1HG2 THR 32 1HG2 THR 32 -17.378 21.784 -16.227 246 2HG2 THR 32 2HG2 THR 32 -15.979 21.889 -17.309 247 3HG2 THR 32 3HG2 THR 32 -16.014 22.872 -15.835 248 H LEU 33 H LEU 33 -18.115 23.490 -14.240 249 HA LEU 33 HA LEU 33 -16.007 25.287 -13.420 250 1HB LEU 33 HB2 LEU 33 -17.162 26.355 -11.548 251 2HB LEU 33 HB3 LEU 33 -17.829 26.805 -13.098 252 HG LEU 33 HG LEU 33 -19.714 25.127 -12.649 253 1HD1 LEU 33 1HD1 LEU 33 -18.849 23.796 -10.785 254 2HD1 LEU 33 2HD1 LEU 33 -18.613 25.255 -9.819 255 3HD1 LEU 33 3HD1 LEU 33 -20.237 24.727 -10.274 256 1HD2 LEU 33 1HD2 LEU 33 -19.932 27.554 -12.505 257 2HD2 LEU 33 2HD2 LEU 33 -20.946 26.744 -11.325 258 3HD2 LEU 33 3HD2 LEU 33 -19.437 27.525 -10.789 259 H ALA 34 H ALA 34 -15.299 24.697 -11.040 260 HA ALA 34 HA ALA 34 -16.120 21.911 -10.398 261 1HB ALA 34 HB1 ALA 34 -13.246 22.435 -11.173 262 2HB ALA 34 HB2 ALA 34 -14.080 20.914 -10.893 263 3HB ALA 34 HB3 ALA 34 -14.439 21.919 -12.338 264 H CYS 35 H CYS 35 -15.700 21.189 -8.511 265 HA CYS 35 HA CYS 35 -13.840 22.624 -6.655 266 1HB CYS 35 HB2 CYS 35 -16.250 22.779 -5.967 267 2HB CYS 35 HB3 CYS 35 -16.274 21.025 -5.775 268 H ASP 36 H ASP 36 -12.100 21.452 -7.541 269 HA ASP 36 HA ASP 36 -12.292 18.677 -8.258 270 1HB ASP 36 HB2 ASP 36 -10.120 18.853 -9.060 271 2HB ASP 36 HB3 ASP 36 -10.995 20.293 -9.504 272 H ALA 37 H ALA 37 -12.043 16.932 -7.040 273 HA ALA 37 HA ALA 37 -10.878 17.126 -4.321 274 1HB ALA 37 HB1 ALA 37 -12.409 14.845 -5.669 275 2HB ALA 37 HB2 ALA 37 -11.912 14.954 -3.962 276 3HB ALA 37 HB3 ALA 37 -13.105 16.082 -4.613 277 H ASP 38 H ASP 38 -9.409 15.522 -3.536 278 HA ASP 38 HA ASP 38 -7.825 13.824 -5.306 279 1HB ASP 38 HB2 ASP 38 -6.803 16.078 -5.692 280 2HB ASP 38 HB3 ASP 38 -6.653 16.284 -3.940 281 H GLY 39 H GLY 39 -6.274 12.509 -3.976 282 1HA GLY 39 HA2 GLY 39 -5.631 12.438 -1.394 283 2HA GLY 39 HA3 GLY 39 -7.306 11.902 -1.308 284 H PHE 40 H PHE 40 -5.441 10.132 -0.380 285 HA PHE 40 HA PHE 40 -5.657 7.969 -2.420 286 1HB PHE 40 HB2 PHE 40 -3.139 8.507 -0.840 287 2HB PHE 40 HB3 PHE 40 -3.485 7.067 -1.740 288 HD1 PHE 40 HD1 PHE 40 -2.673 10.695 -2.101 289 HD2 PHE 40 HD2 PHE 40 -3.381 6.966 -4.119 290 HE1 PHE 40 HE1 PHE 40 -1.732 11.652 -4.180 291 HE2 PHE 40 HE2 PHE 40 -2.423 7.904 -6.189 292 HZ PHE 40 HZ PHE 40 -1.602 10.241 -6.236 293 HA PRO 41 HA PRO 41 -6.548 5.994 -2.552 294 1HB PRO 41 HB2 PRO 41 -9.027 4.916 -2.097 295 2HB PRO 41 HB3 PRO 41 -7.506 4.062 -1.699 296 1HG PRO 41 HG2 PRO 41 -9.313 5.703 0.111 297 2HG PRO 41 HG3 PRO 41 -8.630 4.075 0.432 298 1HD PRO 41 HD2 PRO 41 -7.475 6.348 1.430 299 2HD PRO 41 HD3 PRO 41 -6.457 4.979 0.847 300 H GLU 42 H GLU 42 -8.154 6.563 -4.164 301 HA GLU 42 HA GLU 42 -8.942 9.179 -4.443 302 1HB GLU 42 HB2 GLU 42 -10.482 6.758 -5.505 303 2HB GLU 42 HB3 GLU 42 -10.573 8.428 -6.080 304 1HG GLU 42 HG2 GLU 42 -9.106 7.694 -7.630 305 2HG GLU 42 HG3 GLU 42 -7.926 8.123 -6.404 306 HA PRO 43 HA PRO 43 -11.950 9.483 -1.213 307 1HB PRO 43 HB2 PRO 43 -12.492 12.143 -1.231 308 2HB PRO 43 HB3 PRO 43 -10.821 11.544 -0.988 309 1HG PRO 43 HG2 PRO 43 -12.083 12.422 -3.563 310 2HG PRO 43 HG3 PRO 43 -10.571 13.057 -2.804 311 1HD PRO 43 HD2 PRO 43 -10.443 11.071 -4.678 312 2HD PRO 43 HD3 PRO 43 -9.378 11.080 -3.241 313 H THR 44 H THR 44 -14.012 10.329 -0.693 314 HA THR 44 HA THR 44 -16.100 10.105 -2.873 315 HB THR 44 HB THR 44 -16.409 9.656 0.135 316 HG1 THR 44 HG1 THR 44 -15.359 8.033 -1.047 317 1HG2 THR 44 1HG2 THR 44 -18.666 8.800 -0.468 318 2HG2 THR 44 2HG2 THR 44 -18.530 10.513 -0.836 319 3HG2 THR 44 3HG2 THR 44 -18.417 9.308 -2.148 320 H MET 45 H MET 45 -17.706 11.908 -2.903 321 HA MET 45 HA MET 45 -17.230 14.154 -1.081 322 1HB MET 45 HB2 MET 45 -16.491 15.680 -2.823 323 2HB MET 45 HB3 MET 45 -15.443 14.280 -2.789 324 1HG MET 45 HG2 MET 45 -15.730 14.414 -5.003 325 2HG MET 45 HG3 MET 45 -17.085 13.358 -4.673 326 1HE MET 45 HE1 MET 45 -17.003 17.764 -5.996 327 2HE MET 45 HE2 MET 45 -15.986 17.096 -4.708 328 3HE MET 45 HE3 MET 45 -15.840 16.453 -6.354 329 H THR 46 H THR 46 -18.667 15.927 -1.323 330 HA THR 46 HA THR 46 -21.010 15.711 -3.083 331 HB THR 46 HB THR 46 -22.606 16.112 -1.184 332 HG1 THR 46 HG1 THR 46 -21.935 15.539 0.890 333 1HG2 THR 46 1HG2 THR 46 -22.908 13.821 -0.533 334 2HG2 THR 46 2HG2 THR 46 -22.352 13.852 -2.214 335 3HG2 THR 46 3HG2 THR 46 -21.207 13.444 -0.940 336 H TRP 47 H TRP 47 -22.394 17.632 -2.936 337 HA TRP 47 HA TRP 47 -21.451 20.024 -1.712 338 1HB TRP 47 HB2 TRP 47 -20.846 21.287 -3.756 339 2HB TRP 47 HB3 TRP 47 -19.739 20.079 -3.218 340 HD1 TRP 47 HD1 TRP 47 -20.745 17.534 -4.907 341 HE1 TRP 47 HE1 TRP 47 -19.891 17.430 -7.298 342 HE3 TRP 47 HE3 TRP 47 -19.787 22.508 -5.631 343 HZ2 TRP 47 HZ2 TRP 47 -18.673 19.243 -9.196 344 HZ3 TRP 47 HZ3 TRP 47 -18.823 23.290 -7.798 345 HH2 TRP 47 HH2 TRP 47 -18.270 21.659 -9.572 346 H THR 48 H THR 48 -22.665 22.003 -2.325 347 HA THR 48 HA THR 48 -25.496 21.226 -2.804 348 HB THR 48 HB THR 48 -26.068 23.035 -1.251 349 HG1 THR 48 HG1 THR 48 -24.375 23.951 -0.039 350 1HG2 THR 48 1HG2 THR 48 -25.696 20.698 -0.422 351 2HG2 THR 48 2HG2 THR 48 -23.995 21.153 -0.083 352 3HG2 THR 48 3HG2 THR 48 -25.338 21.957 0.774 353 H LYS 49 H LYS 49 -26.992 22.709 -3.676 354 HA LYS 49 HA LYS 49 -25.922 24.873 -5.442 355 1HB LYS 49 HB2 LYS 49 -27.161 22.732 -6.339 356 2HB LYS 49 HB3 LYS 49 -28.641 23.506 -5.772 357 1HG LYS 49 HG2 LYS 49 -28.164 25.466 -7.204 358 2HG LYS 49 HG3 LYS 49 -26.594 24.763 -7.677 359 1HD LYS 49 HD2 LYS 49 -27.717 22.850 -8.749 360 2HD LYS 49 HD3 LYS 49 -29.314 23.502 -8.245 361 1HE LYS 49 HE2 LYS 49 -28.952 25.512 -9.618 362 2HE LYS 49 HE3 LYS 49 -27.310 25.001 -10.029 363 1HZ LYS 49 HZ1 LYS 49 -29.811 23.592 -10.783 364 2HZ LYS 49 HZ2 LYS 49 -28.883 24.491 -11.817 365 3HZ LYS 49 HZ3 LYS 49 -28.286 23.087 -11.198 366 H ASP 50 H ASP 50 -26.027 25.730 -3.018 367 HA ASP 50 HA ASP 50 -26.817 27.152 -1.450 368 1HB ASP 50 HB2 ASP 50 -26.748 28.574 -3.527 369 2HB ASP 50 HB3 ASP 50 -28.472 28.337 -3.725 370 H GLY 51 H GLY 51 -28.472 24.652 -1.865 371 1HA GLY 51 HA2 GLY 51 -30.414 25.094 0.183 372 2HA GLY 51 HA3 GLY 51 -31.237 25.163 -1.353 373 H GLU 52 H GLU 52 -29.401 22.989 -2.494 374 HA GLU 52 HA GLU 52 -30.038 20.647 -0.855 375 1HB GLU 52 HB2 GLU 52 -31.435 19.580 -2.521 376 2HB GLU 52 HB3 GLU 52 -32.128 21.132 -2.117 377 1HG GLU 52 HG2 GLU 52 -31.060 22.105 -4.198 378 2HG GLU 52 HG3 GLU 52 -30.549 20.484 -4.625 379 HA PRO 53 HA PRO 53 -26.393 19.082 -2.648 380 1HB PRO 53 HB2 PRO 53 -27.632 16.375 -2.994 381 2HB PRO 53 HB3 PRO 53 -26.139 16.815 -2.120 382 1HG PRO 53 HG2 PRO 53 -28.451 16.254 -0.739 383 2HG PRO 53 HG3 PRO 53 -27.440 17.658 -0.268 384 1HD PRO 53 HD2 PRO 53 -29.898 17.648 -2.090 385 2HD PRO 53 HD3 PRO 53 -29.566 18.647 -0.635 386 H ILE 54 H ILE 54 -25.263 18.712 -4.450 387 HA ILE 54 HA ILE 54 -26.639 18.444 -7.051 388 HB ILE 54 HB ILE 54 -23.842 19.264 -6.209 389 1HG1 ILE 54 2HG1 ILE 54 -25.961 20.922 -7.641 390 2HG1 ILE 54 3HG1 ILE 54 -25.891 20.833 -5.881 391 1HG2 ILE 54 1HG2 ILE 54 -23.478 18.277 -8.357 392 2HG2 ILE 54 2HG2 ILE 54 -24.861 19.159 -9.075 393 3HG2 ILE 54 3HG2 ILE 54 -23.411 19.985 -8.567 394 1HD1 ILE 54 1HD1 ILE 54 -24.718 22.838 -6.631 395 2HD1 ILE 54 2HD1 ILE 54 -23.559 21.690 -5.914 396 3HD1 ILE 54 3HD1 ILE 54 -23.691 21.886 -7.691 397 H GLU 55 H GLU 55 -25.944 16.390 -4.985 398 HA GLU 55 HA GLU 55 -24.387 14.309 -5.257 399 1HB GLU 55 HB2 GLU 55 -26.250 12.754 -4.874 400 2HB GLU 55 HB3 GLU 55 -26.163 14.115 -3.763 401 1HG GLU 55 HG2 GLU 55 -28.014 15.212 -5.137 402 2HG GLU 55 HG3 GLU 55 -28.190 13.679 -6.002 403 H GLN 56 H GLN 56 -23.278 14.145 -7.201 404 HA GLN 56 HA GLN 56 -24.507 13.834 -9.677 405 1HB GLN 56 HB2 GLN 56 -21.714 13.175 -8.736 406 2HB GLN 56 HB3 GLN 56 -22.177 13.263 -10.434 407 1HG GLN 56 HG2 GLN 56 -22.553 15.638 -8.563 408 2HG GLN 56 HG3 GLN 56 -21.118 15.403 -9.506 409 1HE2 GLN 56 1HE2 GLN 56 -24.390 16.847 -11.365 410 2HE2 GLN 56 2HE2 GLN 56 -24.412 16.467 -9.649 411 H GLU 57 H GLU 57 -24.609 11.458 -7.398 412 HA GLU 57 HA GLU 57 -24.652 9.214 -9.315 413 1HB GLU 57 HB2 GLU 57 -24.854 7.763 -7.363 414 2HB GLU 57 HB3 GLU 57 -23.488 8.868 -7.161 415 1HG GLU 57 HG2 GLU 57 -24.899 10.294 -5.704 416 2HG GLU 57 HG3 GLU 57 -26.256 9.178 -5.892 417 H ASP 58 H ASP 58 -26.860 11.521 -8.304 418 HA ASP 58 HA ASP 58 -29.116 9.905 -9.294 419 1HB ASP 58 HB2 ASP 58 -28.947 9.395 -6.844 420 2HB ASP 58 HB3 ASP 58 -29.197 11.104 -6.502 421 H ASN 59 H ASN 59 -27.881 13.047 -8.218 422 HA ASN 59 HA ASN 59 -30.207 14.392 -9.542 423 1HB ASN 59 HB2 ASN 59 -29.656 15.146 -7.259 424 2HB ASN 59 HB3 ASN 59 -28.046 15.624 -7.798 425 1HD2 ASN 59 1HD2 ASN 59 -29.662 18.797 -8.240 426 2HD2 ASN 59 2HD2 ASN 59 -28.852 17.860 -6.965 427 H GLU 60 H GLU 60 -29.958 14.458 -11.638 428 HA GLU 60 HA GLU 60 -27.400 15.437 -12.891 429 1HB GLU 60 HB2 GLU 60 -29.126 13.047 -13.619 430 2HB GLU 60 HB3 GLU 60 -27.762 13.646 -14.587 431 1HG GLU 60 HG2 GLU 60 -26.225 13.177 -12.703 432 2HG GLU 60 HG3 GLU 60 -27.557 12.476 -11.777 433 H GLU 61 H GLU 61 -30.400 16.386 -12.488 434 HA GLU 61 HA GLU 61 -32.112 16.422 -14.508 435 1HB GLU 61 HB2 GLU 61 -31.270 18.826 -12.856 436 2HB GLU 61 HB3 GLU 61 -32.703 18.835 -13.874 437 1HG GLU 61 HG2 GLU 61 -32.262 16.906 -11.567 438 2HG GLU 61 HG3 GLU 61 -33.204 18.381 -11.487 439 H LYS 62 H LYS 62 -29.353 18.645 -14.652 440 HA LYS 62 HA LYS 62 -29.262 18.400 -17.550 441 1HB LYS 62 HB2 LYS 62 -29.442 20.809 -18.115 442 2HB LYS 62 HB3 LYS 62 -30.919 20.181 -17.434 443 1HG LYS 62 HG2 LYS 62 -30.182 21.185 -15.169 444 2HG LYS 62 HG3 LYS 62 -28.881 21.977 -16.066 445 1HD LYS 62 HD2 LYS 62 -30.698 22.899 -17.634 446 2HD LYS 62 HD3 LYS 62 -31.877 22.355 -16.409 447 1HE LYS 62 HE2 LYS 62 -30.713 23.691 -14.696 448 2HE LYS 62 HE3 LYS 62 -29.467 24.153 -15.854 449 1HZ LYS 62 HZ1 LYS 62 -32.320 24.966 -15.951 450 2HZ LYS 62 HZ2 LYS 62 -30.994 25.911 -15.628 451 3HZ LYS 62 HZ3 LYS 62 -31.217 25.326 -17.126 452 H TYR 63 H TYR 63 -27.542 17.453 -15.708 453 HA TYR 63 HA TYR 63 -25.047 18.776 -16.280 454 1HB TYR 63 HB2 TYR 63 -24.609 19.136 -13.698 455 2HB TYR 63 HB3 TYR 63 -25.404 20.351 -14.675 456 HD1 TYR 63 HD1 TYR 63 -26.105 17.644 -12.166 457 HD2 TYR 63 HD2 TYR 63 -27.545 21.150 -14.211 458 HE1 TYR 63 HE1 TYR 63 -27.830 17.942 -10.431 459 HE2 TYR 63 HE2 TYR 63 -29.348 21.387 -12.528 460 HH TYR 63 HH TYR 63 -30.243 20.609 -10.552 461 H SER 64 H SER 64 -23.190 17.870 -15.445 462 HA SER 64 HA SER 64 -23.066 15.249 -14.148 463 1HB SER 64 HB2 SER 64 -22.848 15.496 -17.169 464 2HB SER 64 HB3 SER 64 -22.063 14.187 -16.275 465 HG SER 64 HG SER 64 -24.798 14.732 -15.865 466 H PHE 65 H PHE 65 -20.845 14.692 -13.678 467 HA PHE 65 HA PHE 65 -18.680 16.312 -14.870 468 1HB PHE 65 HB2 PHE 65 -17.956 16.836 -12.788 469 2HB PHE 65 HB3 PHE 65 -19.682 17.042 -12.697 470 HD1 PHE 65 HD1 PHE 65 -19.669 13.617 -12.248 471 HD2 PHE 65 HD2 PHE 65 -18.170 17.179 -10.300 472 HE1 PHE 65 HE1 PHE 65 -19.458 12.382 -10.132 473 HE2 PHE 65 HE2 PHE 65 -17.969 15.927 -8.187 474 HZ PHE 65 HZ PHE 65 -18.647 13.517 -8.088 475 H ASN 66 H ASN 66 -16.584 15.313 -13.502 476 HA ASN 66 HA ASN 66 -16.138 12.707 -14.864 477 1HB ASN 66 HB2 ASN 66 -14.143 14.681 -13.637 478 2HB ASN 66 HB3 ASN 66 -13.755 13.343 -14.732 479 1HD2 ASN 66 1HD2 ASN 66 -14.304 16.845 -16.357 480 2HD2 ASN 66 2HD2 ASN 66 -13.612 16.480 -14.783 481 H TYR 67 H TYR 67 -14.217 11.481 -13.769 482 HA TYR 67 HA TYR 67 -14.653 11.125 -10.824 483 1HB TYR 67 HB2 TYR 67 -15.388 9.140 -12.159 484 2HB TYR 67 HB3 TYR 67 -13.774 8.994 -12.827 485 HD1 TYR 67 HD1 TYR 67 -11.968 7.979 -11.550 486 HD2 TYR 67 HD2 TYR 67 -15.746 8.829 -9.651 487 HE1 TYR 67 HE1 TYR 67 -11.270 6.678 -9.555 488 HE2 TYR 67 HE2 TYR 67 -15.008 7.561 -7.640 489 HH TYR 67 HH TYR 67 -13.364 6.365 -6.645 490 H ASP 68 H ASP 68 -12.757 10.809 -9.575 491 HA ASP 68 HA ASP 68 -10.781 11.673 -8.835 492 1HB ASP 68 HB2 ASP 68 -9.998 9.697 -10.189 493 2HB ASP 68 HB3 ASP 68 -9.648 10.806 -11.514 494 H GLY 69 H GLY 69 -12.601 13.402 -10.056 495 1HA GLY 69 HA2 GLY 69 -11.311 15.944 -10.228 496 2HA GLY 69 HA3 GLY 69 -11.789 15.380 -11.847 497 H SER 70 H SER 70 -13.123 17.606 -11.007 498 HA SER 70 HA SER 70 -15.815 16.627 -10.137 499 1HB SER 70 HB2 SER 70 -14.457 19.047 -8.960 500 2HB SER 70 HB3 SER 70 -15.953 18.253 -8.413 501 HG SER 70 HG SER 70 -14.186 17.771 -7.107 502 H GLU 71 H GLU 71 -14.824 17.670 -12.842 503 HA GLU 71 HA GLU 71 -15.719 20.421 -12.956 504 1HB GLU 71 HB2 GLU 71 -14.949 18.569 -15.232 505 2HB GLU 71 HB3 GLU 71 -15.195 20.305 -15.363 506 1HG GLU 71 HG2 GLU 71 -12.834 19.696 -15.318 507 2HG GLU 71 HG3 GLU 71 -13.269 20.772 -14.001 508 H LEU 72 H LEU 72 -17.761 20.569 -12.324 509 HA LEU 72 HA LEU 72 -19.991 19.030 -13.287 510 1HB LEU 72 HB2 LEU 72 -19.853 19.927 -11.028 511 2HB LEU 72 HB3 LEU 72 -19.698 21.576 -11.656 512 HG LEU 72 HG LEU 72 -21.992 21.300 -12.685 513 1HD1 LEU 72 1HD1 LEU 72 -22.022 18.853 -10.869 514 2HD1 LEU 72 2HD1 LEU 72 -23.472 19.577 -11.635 515 3HD1 LEU 72 3HD1 LEU 72 -22.189 18.841 -12.611 516 1HD2 LEU 72 1HD2 LEU 72 -21.686 21.106 -9.673 517 2HD2 LEU 72 2HD2 LEU 72 -21.589 22.594 -10.615 518 3HD2 LEU 72 3HD2 LEU 72 -23.130 21.740 -10.504 519 H ILE 73 H ILE 73 -20.520 19.209 -15.348 520 HA ILE 73 HA ILE 73 -20.517 21.820 -16.748 521 HB ILE 73 HB ILE 73 -21.218 19.061 -17.766 522 1HG1 ILE 73 2HG1 ILE 73 -18.678 20.497 -18.575 523 2HG1 ILE 73 3HG1 ILE 73 -18.670 19.624 -17.040 524 1HG2 ILE 73 1HG2 ILE 73 -20.908 20.210 -20.013 525 2HG2 ILE 73 2HG2 ILE 73 -22.266 20.801 -19.096 526 3HG2 ILE 73 3HG2 ILE 73 -20.774 21.767 -19.181 527 1HD1 ILE 73 1HD1 ILE 73 -19.386 18.338 -19.695 528 2HD1 ILE 73 2HD1 ILE 73 -17.878 18.111 -18.767 529 3HD1 ILE 73 3HD1 ILE 73 -19.418 17.563 -18.102 530 H ILE 74 H ILE 74 -22.358 22.938 -16.878 531 HA ILE 74 HA ILE 74 -25.013 21.662 -16.332 532 HB ILE 74 HB ILE 74 -24.127 24.504 -15.764 533 1HG1 ILE 74 2HG1 ILE 74 -24.967 22.399 -13.734 534 2HG1 ILE 74 3HG1 ILE 74 -23.296 22.761 -14.114 535 1HG2 ILE 74 1HG2 ILE 74 -26.393 24.881 -14.806 536 2HG2 ILE 74 2HG2 ILE 74 -26.536 24.385 -16.487 537 3HG2 ILE 74 3HG2 ILE 74 -26.829 23.201 -15.224 538 1HD1 ILE 74 1HD1 ILE 74 -23.608 25.083 -13.342 539 2HD1 ILE 74 2HD1 ILE 74 -25.286 24.644 -12.840 540 3HD1 ILE 74 3HD1 ILE 74 -23.914 23.873 -12.070 541 H LYS 75 H LYS 75 -26.253 21.625 -18.082 542 HA LYS 75 HA LYS 75 -25.781 23.618 -20.266 543 1HB LYS 75 HB2 LYS 75 -26.910 22.100 -21.752 544 2HB LYS 75 HB3 LYS 75 -25.563 21.284 -20.970 545 1HG LYS 75 HG2 LYS 75 -27.202 20.277 -19.337 546 2HG LYS 75 HG3 LYS 75 -28.506 20.937 -20.305 547 1HD LYS 75 HD2 LYS 75 -27.620 19.669 -22.270 548 2HD LYS 75 HD3 LYS 75 -26.311 19.054 -21.196 549 1HE LYS 75 HE2 LYS 75 -28.006 17.983 -19.762 550 2HE LYS 75 HE3 LYS 75 -29.320 18.610 -20.787 551 1HZ LYS 75 HZ1 LYS 75 -28.478 17.299 -22.622 552 2HZ LYS 75 HZ2 LYS 75 -27.237 16.719 -21.742 553 3HZ LYS 75 HZ3 LYS 75 -28.758 16.305 -21.366 554 H LYS 76 H LYS 76 -27.503 24.619 -21.210 555 HA LYS 76 HA LYS 76 -29.451 25.792 -21.411 556 1HB LYS 76 HB2 LYS 76 -30.824 23.670 -19.733 557 2HB LYS 76 HB3 LYS 76 -31.565 24.784 -20.877 558 1HG LYS 76 HG2 LYS 76 -29.732 22.471 -21.555 559 2HG LYS 76 HG3 LYS 76 -31.462 22.510 -21.711 560 1HD LYS 76 HD2 LYS 76 -31.292 24.315 -23.416 561 2HD LYS 76 HD3 LYS 76 -29.532 24.324 -23.231 562 1HE LYS 76 HE2 LYS 76 -29.917 23.086 -25.192 563 2HE LYS 76 HE3 LYS 76 -29.463 21.931 -23.940 564 1HZ LYS 76 HZ1 LYS 76 -31.841 21.398 -23.673 565 2HZ LYS 76 HZ2 LYS 76 -32.236 22.481 -24.841 566 3HZ LYS 76 HZ3 LYS 76 -31.373 21.157 -25.222 567 H VAL 77 H VAL 77 -27.811 26.890 -19.688 568 HA VAL 77 HA VAL 77 -28.692 27.210 -17.036 569 HB VAL 77 HB VAL 77 -26.860 28.840 -18.798 570 1HG1 VAL 77 1HG1 VAL 77 -27.700 30.493 -17.176 571 2HG1 VAL 77 2HG1 VAL 77 -27.408 29.355 -15.837 572 3HG1 VAL 77 3HG1 VAL 77 -26.048 30.047 -16.769 573 1HG2 VAL 77 1HG2 VAL 77 -26.072 26.615 -18.048 574 2HG2 VAL 77 2HG2 VAL 77 -25.190 27.871 -17.176 575 3HG2 VAL 77 3HG2 VAL 77 -26.510 27.023 -16.355 576 H ASP 78 H ASP 78 -29.883 28.537 -15.897 577 HA ASP 78 HA ASP 78 -31.001 31.021 -16.972 578 1HB ASP 78 HB2 ASP 78 -32.606 28.830 -17.172 579 2HB ASP 78 HB3 ASP 78 -32.941 29.298 -15.504 580 H LYS 79 H LYS 79 -32.417 31.963 -14.921 581 HA LYS 79 HA LYS 79 -30.464 32.485 -12.856 582 1HB LYS 79 HB2 LYS 79 -33.462 33.126 -13.084 583 2HB LYS 79 HB3 LYS 79 -32.503 33.661 -11.723 584 1HG LYS 79 HG2 LYS 79 -31.835 34.320 -14.623 585 2HG LYS 79 HG3 LYS 79 -32.826 35.332 -13.571 586 1HD LYS 79 HD2 LYS 79 -29.965 34.607 -12.827 587 2HD LYS 79 HD3 LYS 79 -30.379 35.998 -13.803 588 1HE LYS 79 HE2 LYS 79 -31.725 36.957 -12.053 589 2HE LYS 79 HE3 LYS 79 -31.583 35.513 -11.043 590 1HZ LYS 79 HZ1 LYS 79 -29.122 36.932 -11.832 591 2HZ LYS 79 HZ2 LYS 79 -30.035 37.502 -10.582 592 3HZ LYS 79 HZ3 LYS 79 -29.385 36.008 -10.520 593 H SER 80 H SER 80 -32.582 29.833 -13.113 594 HA SER 80 HA SER 80 -32.640 29.155 -10.283 595 1HB SER 80 HB2 SER 80 -33.424 26.937 -11.246 596 2HB SER 80 HB3 SER 80 -34.401 28.359 -11.630 597 HG SER 80 HG SER 80 -33.993 27.002 -13.459 598 H ASP 81 H ASP 81 -30.146 29.061 -12.637 599 HA ASP 81 HA ASP 81 -28.659 26.920 -11.223 600 1HB ASP 81 HB2 ASP 81 -28.010 28.443 -13.765 601 2HB ASP 81 HB3 ASP 81 -27.059 27.125 -13.074 602 H GLU 82 H GLU 82 -29.113 30.176 -10.720 603 HA GLU 82 HA GLU 82 -26.440 31.022 -10.006 604 1HB GLU 82 HB2 GLU 82 -28.424 32.506 -10.371 605 2HB GLU 82 HB3 GLU 82 -29.130 31.888 -8.879 606 1HG GLU 82 HG2 GLU 82 -27.012 32.717 -7.683 607 2HG GLU 82 HG3 GLU 82 -26.570 33.497 -9.217 608 H ALA 83 H ALA 83 -25.255 30.445 -8.218 609 HA ALA 83 HA ALA 83 -26.479 29.117 -5.898 610 1HB ALA 83 HB1 ALA 83 -25.164 26.992 -6.343 611 2HB ALA 83 HB2 ALA 83 -26.398 27.310 -7.562 612 3HB ALA 83 HB3 ALA 83 -24.683 27.628 -7.919 613 H GLU 84 H GLU 84 -25.198 28.759 -4.189 614 HA GLU 84 HA GLU 84 -22.366 29.669 -4.122 615 1HB GLU 84 HB2 GLU 84 -23.830 31.187 -2.809 616 2HB GLU 84 HB3 GLU 84 -24.437 29.817 -1.885 617 1HG GLU 84 HG2 GLU 84 -22.129 29.346 -1.088 618 2HG GLU 84 HG3 GLU 84 -21.531 30.703 -2.042 619 H TYR 85 H TYR 85 -21.239 27.882 -4.163 620 HA TYR 85 HA TYR 85 -22.433 25.298 -3.416 621 1HB TYR 85 HB2 TYR 85 -19.825 25.949 -4.832 622 2HB TYR 85 HB3 TYR 85 -20.544 24.355 -4.645 623 HD1 TYR 85 HD1 TYR 85 -22.083 23.513 -6.245 624 HD2 TYR 85 HD2 TYR 85 -20.935 27.667 -6.368 625 HE1 TYR 85 HE1 TYR 85 -23.059 23.730 -8.531 626 HE2 TYR 85 HE2 TYR 85 -21.868 27.865 -8.649 627 HH TYR 85 HH TYR 85 -23.502 25.097 -10.246 628 H ILE 86 H ILE 86 -21.977 24.464 -1.459 629 HA ILE 86 HA ILE 86 -19.251 24.965 -0.250 630 HB ILE 86 HB ILE 86 -21.834 24.053 1.085 631 1HG1 ILE 86 2HG1 ILE 86 -21.258 25.993 2.646 632 2HG1 ILE 86 3HG1 ILE 86 -20.070 26.527 1.435 633 1HG2 ILE 86 1HG2 ILE 86 -20.372 23.914 3.142 634 2HG2 ILE 86 2HG2 ILE 86 -19.982 22.729 1.917 635 3HG2 ILE 86 3HG2 ILE 86 -18.944 24.158 2.106 636 1HD1 ILE 86 1HD1 ILE 86 -22.288 27.722 1.421 637 2HD1 ILE 86 2HD1 ILE 86 -21.820 27.038 -0.137 638 3HD1 ILE 86 3HD1 ILE 86 -23.041 26.211 0.848 639 H CYS 87 H CYS 87 -17.888 23.341 -0.495 640 HA CYS 87 HA CYS 87 -18.945 20.655 -1.351 641 1HB CYS 87 HB2 CYS 87 -16.917 20.560 -2.862 642 2HB CYS 87 HB3 CYS 87 -18.249 21.581 -3.377 643 H ILE 88 H ILE 88 -18.080 18.871 -0.636 644 HA ILE 88 HA ILE 88 -15.891 19.012 1.365 645 HB ILE 88 HB ILE 88 -18.589 17.659 1.753 646 1HG1 ILE 88 2HG1 ILE 88 -17.510 20.205 3.086 647 2HG1 ILE 88 3HG1 ILE 88 -18.801 20.126 1.893 648 1HG2 ILE 88 1HG2 ILE 88 -16.693 16.500 2.883 649 2HG2 ILE 88 2HG2 ILE 88 -16.244 18.019 3.667 650 3HG2 ILE 88 3HG2 ILE 88 -17.795 17.207 4.037 651 1HD1 ILE 88 1HD1 ILE 88 -20.170 18.744 3.453 652 2HD1 ILE 88 2HD1 ILE 88 -18.929 19.048 4.716 653 3HD1 ILE 88 3HD1 ILE 88 -19.840 20.392 4.007 654 H ALA 89 H ALA 89 -14.568 17.263 1.373 655 HA ALA 89 HA ALA 89 -15.394 14.793 -0.071 656 1HB ALA 89 HB1 ALA 89 -13.911 16.080 -1.605 657 2HB ALA 89 HB2 ALA 89 -12.673 16.114 -0.310 658 3HB ALA 89 HB3 ALA 89 -13.163 14.571 -1.037 659 H GLU 90 H GLU 90 -14.451 12.900 0.676 660 HA GLU 90 HA GLU 90 -12.939 12.926 3.225 661 1HB GLU 90 HB2 GLU 90 -15.332 13.165 3.804 662 2HB GLU 90 HB3 GLU 90 -15.714 11.759 2.802 663 1HG GLU 90 HG2 GLU 90 -14.429 10.293 4.315 664 2HG GLU 90 HG3 GLU 90 -13.919 11.685 5.269 665 H ASN 91 H ASN 91 -11.830 10.999 3.636 666 HA ASN 91 HA ASN 91 -12.483 8.616 2.090 667 1HB ASN 91 HB2 ASN 91 -10.474 8.131 1.126 668 2HB ASN 91 HB3 ASN 91 -10.795 9.787 0.668 669 1HD2 ASN 91 1HD2 ASN 91 -7.255 9.929 1.386 670 2HD2 ASN 91 2HD2 ASN 91 -8.349 9.338 0.125 671 H LYS 92 H LYS 92 -10.239 7.094 2.997 672 HA LYS 92 HA LYS 92 -11.256 6.513 5.683 673 1HB LYS 92 HB2 LYS 92 -8.980 4.896 4.976 674 2HB LYS 92 HB3 LYS 92 -10.609 4.409 5.282 675 1HG LYS 92 HG2 LYS 92 -9.435 5.300 2.613 676 2HG LYS 92 HG3 LYS 92 -9.769 3.651 3.129 677 1HD LYS 92 HD2 LYS 92 -12.282 4.589 3.363 678 2HD LYS 92 HD3 LYS 92 -11.671 5.806 2.203 679 1HE LYS 92 HE2 LYS 92 -12.659 4.129 0.863 680 2HE LYS 92 HE3 LYS 92 -10.942 3.909 0.678 681 1HZ LYS 92 HZ1 LYS 92 -11.105 2.067 2.337 682 2HZ LYS 92 HZ2 LYS 92 -12.700 2.321 2.480 683 3HZ LYS 92 HZ3 LYS 92 -12.101 1.802 1.057 684 H ALA 93 H ALA 93 -8.654 8.325 4.496 685 HA ALA 93 HA ALA 93 -7.155 8.269 7.052 686 1HB ALA 93 HB1 ALA 93 -6.483 9.533 4.368 687 2HB ALA 93 HB2 ALA 93 -5.409 9.438 5.780 688 3HB ALA 93 HB3 ALA 93 -5.897 7.962 4.947 689 H GLY 94 H GLY 94 -9.404 10.422 5.371 690 1HA GLY 94 HA2 GLY 94 -9.660 12.149 7.614 691 2HA GLY 94 HA3 GLY 94 -8.493 12.889 6.547 692 H GLU 95 H GLU 95 -10.051 14.661 6.468 693 HA GLU 95 HA GLU 95 -12.084 14.483 4.345 694 1HB GLU 95 HB2 GLU 95 -13.253 13.790 6.416 695 2HB GLU 95 HB3 GLU 95 -12.707 15.239 7.259 696 1HG GLU 95 HG2 GLU 95 -13.984 16.659 5.710 697 2HG GLU 95 HG3 GLU 95 -14.529 15.215 4.855 698 H GLN 96 H GLN 96 -12.517 16.554 3.422 699 HA GLN 96 HA GLN 96 -11.508 19.009 4.688 700 1HB GLN 96 HB2 GLN 96 -9.598 17.768 3.439 701 2HB GLN 96 HB3 GLN 96 -10.349 18.401 1.971 702 1HG GLN 96 HG2 GLN 96 -9.920 20.686 2.672 703 2HG GLN 96 HG3 GLN 96 -9.632 20.192 4.331 704 1HE2 GLN 96 1HE2 GLN 96 -7.671 18.679 4.701 705 2HE2 GLN 96 2HE2 GLN 96 -6.256 19.043 3.711 706 H ASP 97 H ASP 97 -11.871 20.969 3.124 707 HA ASP 97 HA ASP 97 -14.183 20.646 1.344 708 1HB ASP 97 HB2 ASP 97 -15.639 22.085 2.642 709 2HB ASP 97 HB3 ASP 97 -15.180 20.685 3.583 710 H ALA 98 H ALA 98 -14.877 22.576 0.258 711 HA ALA 98 HA ALA 98 -13.340 25.082 0.443 712 1HB ALA 98 HB1 ALA 98 -13.445 23.440 -2.132 713 2HB ALA 98 HB2 ALA 98 -12.836 25.071 -2.014 714 3HB ALA 98 HB3 ALA 98 -12.011 23.757 -1.155 715 H THR 99 H THR 99 -14.350 26.563 -1.593 716 HA THR 99 HA THR 99 -17.289 26.258 -1.697 717 HB THR 99 HB THR 99 -15.843 28.473 -0.242 718 HG1 THR 99 HG1 THR 99 -16.801 26.386 0.680 719 1HG2 THR 99 1HG2 THR 99 -17.489 29.694 -1.563 720 2HG2 THR 99 2HG2 THR 99 -18.763 28.502 -1.115 721 3HG2 THR 99 3HG2 THR 99 -18.040 29.584 0.109 722 H ILE 100 H ILE 100 -18.283 27.436 -3.339 723 HA ILE 100 HA ILE 100 -16.682 29.165 -5.159 724 HB ILE 100 HB ILE 100 -18.268 26.733 -6.119 725 1HG1 ILE 100 2HG1 ILE 100 -15.240 27.119 -5.992 726 2HG1 ILE 100 3HG1 ILE 100 -16.225 26.000 -5.020 727 1HG2 ILE 100 1HG2 ILE 100 -16.655 28.774 -7.698 728 2HG2 ILE 100 2HG2 ILE 100 -17.234 27.262 -8.368 729 3HG2 ILE 100 3HG2 ILE 100 -18.394 28.399 -7.841 730 1HD1 ILE 100 1HD1 ILE 100 -16.928 24.855 -7.119 731 2HD1 ILE 100 2HD1 ILE 100 -15.659 25.767 -7.972 732 3HD1 ILE 100 3HD1 ILE 100 -15.209 24.693 -6.645 733 H HIS 101 H HIS 101 -18.105 30.343 -6.759 734 HA HIS 101 HA HIS 101 -21.009 30.433 -6.070 735 1HB HIS 101 HB2 HIS 101 -19.228 32.853 -6.611 736 2HB HIS 101 HB3 HIS 101 -20.983 32.891 -6.310 737 HD1 HIS 101 HD1 HIS 101 -21.657 33.230 -3.815 738 HD2 HIS 101 HD2 HIS 101 -17.624 32.152 -4.410 739 HE1 HIS 101 HE1 HIS 101 -20.493 33.473 -1.550 740 H LEU 102 H LEU 102 -22.394 30.797 -7.786 741 HA LEU 102 HA LEU 102 -21.305 31.493 -10.461 742 1HB LEU 102 HB2 LEU 102 -21.765 29.160 -10.557 743 2HB LEU 102 HB3 LEU 102 -23.325 29.353 -9.723 744 HG LEU 102 HG LEU 102 -24.299 30.416 -11.686 745 1HD1 LEU 102 1HD1 LEU 102 -21.580 30.227 -13.012 746 2HD1 LEU 102 2HD1 LEU 102 -23.095 30.693 -13.807 747 3HD1 LEU 102 3HD1 LEU 102 -22.402 31.726 -12.552 748 1HD2 LEU 102 1HD2 LEU 102 -24.163 28.554 -13.267 749 2HD2 LEU 102 2HD2 LEU 102 -22.633 28.007 -12.547 750 3HD2 LEU 102 3HD2 LEU 102 -24.127 27.951 -11.602 751 H LYS 103 H LYS 103 -21.911 33.502 -10.696 752 HA LYS 103 HA LYS 103 -24.594 34.475 -9.850 753 1HB LYS 103 HB2 LYS 103 -21.952 35.896 -10.416 754 2HB LYS 103 HB3 LYS 103 -23.497 36.735 -10.201 755 1HG LYS 103 HG2 LYS 103 -23.810 35.849 -7.992 756 2HG LYS 103 HG3 LYS 103 -22.345 34.884 -8.084 757 1HD LYS 103 HD2 LYS 103 -22.359 37.911 -8.333 758 2HD LYS 103 HD3 LYS 103 -22.253 37.109 -6.758 759 1HE LYS 103 HE2 LYS 103 -20.304 36.535 -9.031 760 2HE LYS 103 HE3 LYS 103 -20.053 37.868 -7.914 761 1HZ LYS 103 HZ1 LYS 103 -19.991 36.301 -6.076 762 2HZ LYS 103 HZ2 LYS 103 -20.318 35.019 -7.032 763 3HZ LYS 103 HZ3 LYS 103 -18.899 35.810 -7.175 764 H VAL 104 H VAL 104 -25.951 33.920 -11.378 765 HA VAL 104 HA VAL 104 -25.390 34.195 -14.258 766 HB VAL 104 HB VAL 104 -27.911 33.334 -12.817 767 1HG1 VAL 104 1HG1 VAL 104 -28.577 32.344 -14.931 768 2HG1 VAL 104 2HG1 VAL 104 -28.262 34.044 -15.209 769 3HG1 VAL 104 3HG1 VAL 104 -27.067 32.850 -15.716 770 1HG2 VAL 104 1HG2 VAL 104 -26.083 31.778 -12.308 771 2HG2 VAL 104 2HG2 VAL 104 -27.238 31.033 -13.396 772 3HG2 VAL 104 3HG2 VAL 104 -25.682 31.630 -14.026 773 H PHE 105 H PHE 105 -26.146 35.878 -15.604 774 HA PHE 105 HA PHE 105 -27.766 38.019 -14.348 775 1HB PHE 105 HB2 PHE 105 -26.679 39.470 -15.951 776 2HB PHE 105 HB3 PHE 105 -25.597 38.790 -14.781 777 HD1 PHE 105 HD1 PHE 105 -26.344 39.194 -18.334 778 HD2 PHE 105 HD2 PHE 105 -23.925 37.064 -15.477 779 HE1 PHE 105 HE1 PHE 105 -24.723 38.637 -20.118 780 HE2 PHE 105 HE2 PHE 105 -22.334 36.435 -17.290 781 HZ PHE 105 HZ PHE 105 -22.712 37.269 -19.603 782 H ALA 106 H ALA 106 -29.562 38.784 -15.347 783 HA ALA 106 HA ALA 106 -30.653 37.220 -17.638 784 1HB ALA 106 HB1 ALA 106 -32.835 37.851 -16.675 785 2HB ALA 106 HB2 ALA 106 -31.805 37.067 -15.473 786 3HB ALA 106 HB3 ALA 106 -31.999 38.843 -15.439 787 H LYS 107 H LYS 107 -28.877 38.979 -18.542 788 HA LYS 107 HA LYS 107 -28.374 40.762 -19.826 789 1HB LYS 107 HB2 LYS 107 -31.294 40.505 -20.614 790 2HB LYS 107 HB3 LYS 107 -30.138 41.517 -21.462 791 1HG LYS 107 HG2 LYS 107 -29.799 38.501 -21.127 792 2HG LYS 107 HG3 LYS 107 -30.559 39.276 -22.524 793 1HD LYS 107 HD2 LYS 107 -27.680 39.569 -21.630 794 2HD LYS 107 HD3 LYS 107 -28.235 38.676 -23.028 795 1HE LYS 107 HE2 LYS 107 -28.389 41.713 -22.709 796 2HE LYS 107 HE3 LYS 107 -27.233 40.826 -23.677 797 1HZ LYS 107 HZ1 LYS 107 -29.061 41.656 -25.034 798 2HZ LYS 107 HZ2 LYS 107 -29.067 40.041 -25.071 799 3HZ LYS 107 HZ3 LYS 107 -30.162 40.820 -24.153 Start of MODEL 4 1 1H GLY 1 H1 GLY 1 -7.856 1.386 5.810 2 2H GLY 1 H2 GLY 1 -6.943 0.020 5.955 3 3H GLY 1 H3 GLY 1 -7.075 1.047 7.221 4 1HA GLY 1 HA2 GLY 1 -4.924 1.339 6.227 5 2HA GLY 1 HA3 GLY 1 -5.699 1.673 4.680 6 H LYS 2 H LYS 2 -3.927 3.407 6.083 7 HA LYS 2 HA LYS 2 -5.367 5.908 5.949 8 1HB LYS 2 HB2 LYS 2 -4.967 6.665 8.268 9 2HB LYS 2 HB3 LYS 2 -6.089 5.305 8.222 10 1HG LYS 2 HG2 LYS 2 -4.315 3.749 8.917 11 2HG LYS 2 HG3 LYS 2 -3.136 5.050 8.906 12 1HD LYS 2 HD2 LYS 2 -4.438 6.271 10.652 13 2HD LYS 2 HD3 LYS 2 -5.608 4.956 10.708 14 1HE LYS 2 HE2 LYS 2 -2.644 4.689 11.337 15 2HE LYS 2 HE3 LYS 2 -3.899 4.949 12.551 16 1HZ LYS 2 HZ1 LYS 2 -4.873 2.825 11.953 17 2HZ LYS 2 HZ2 LYS 2 -3.793 2.564 10.746 18 3HZ LYS 2 HZ3 LYS 2 -3.294 2.601 12.290 19 H ASP 3 H ASP 3 -3.938 7.788 6.557 20 HA ASP 3 HA ASP 3 -1.367 7.497 5.149 21 1HB ASP 3 HB2 ASP 3 -2.713 9.425 4.767 22 2HB ASP 3 HB3 ASP 3 -2.872 9.775 6.468 23 H ILE 4 H ILE 4 -2.285 7.320 8.473 24 HA ILE 4 HA ILE 4 0.127 8.466 9.561 25 HB ILE 4 HB ILE 4 -1.985 6.826 11.016 26 1HG1 ILE 4 2HG1 ILE 4 -3.184 8.611 9.824 27 2HG1 ILE 4 3HG1 ILE 4 -3.156 8.937 11.545 28 1HG2 ILE 4 1HG2 ILE 4 -0.065 7.196 12.437 29 2HG2 ILE 4 2HG2 ILE 4 0.037 8.908 11.987 30 3HG2 ILE 4 3HG2 ILE 4 -1.324 8.334 12.954 31 1HD1 ILE 4 1HD1 ILE 4 -2.807 10.981 10.313 32 2HD1 ILE 4 2HD1 ILE 4 -1.301 10.606 11.156 33 3HD1 ILE 4 3HD1 ILE 4 -1.434 10.287 9.416 34 H GLN 5 H GLN 5 -0.786 5.158 8.821 35 HA GLN 5 HA GLN 5 1.869 4.256 9.771 36 1HB GLN 5 HB2 GLN 5 -0.807 2.876 10.333 37 2HB GLN 5 HB3 GLN 5 0.757 2.150 10.670 38 1HG GLN 5 HG2 GLN 5 1.292 3.969 12.264 39 2HG GLN 5 HG3 GLN 5 -0.311 4.646 11.998 40 1HE2 GLN 5 1HE2 GLN 5 0.019 1.818 14.760 41 2HE2 GLN 5 2HE2 GLN 5 1.405 2.669 14.093 42 H VAL 6 H VAL 6 0.602 4.726 7.158 43 HA VAL 6 HA VAL 6 1.868 2.500 5.705 44 HB VAL 6 HB VAL 6 -1.090 3.040 5.187 45 1HG1 VAL 6 1HG1 VAL 6 0.890 1.123 3.872 46 2HG1 VAL 6 2HG1 VAL 6 -0.865 1.166 3.556 47 3HG1 VAL 6 3HG1 VAL 6 0.134 2.534 3.096 48 1HG2 VAL 6 1HG2 VAL 6 0.254 0.551 6.304 49 2HG2 VAL 6 2HG2 VAL 6 -0.940 1.624 7.116 50 3HG2 VAL 6 3HG2 VAL 6 -1.450 0.670 5.751 51 H ILE 7 H ILE 7 3.278 3.839 4.698 52 HA ILE 7 HA ILE 7 2.447 6.500 3.797 53 HB ILE 7 HB ILE 7 5.214 5.331 3.486 54 1HG1 ILE 7 2HG1 ILE 7 4.743 5.177 5.862 55 2HG1 ILE 7 3HG1 ILE 7 5.833 6.501 5.543 56 1HG2 ILE 7 1HG2 ILE 7 4.009 8.130 3.500 57 2HG2 ILE 7 2HG2 ILE 7 5.764 7.794 3.487 58 3HG2 ILE 7 3HG2 ILE 7 4.734 7.280 2.135 59 1HD1 ILE 7 1HD1 ILE 7 4.245 7.114 7.247 60 2HD1 ILE 7 2HD1 ILE 7 3.895 8.094 5.825 61 3HD1 ILE 7 3HD1 ILE 7 2.856 6.681 6.217 62 H VAL 8 H VAL 8 0.964 5.843 2.412 63 HA VAL 8 HA VAL 8 1.630 5.539 -0.414 64 HB VAL 8 HB VAL 8 -0.165 3.431 0.903 65 1HG1 VAL 8 1HG1 VAL 8 0.782 3.725 -1.979 66 2HG1 VAL 8 2HG1 VAL 8 -0.200 2.375 -1.333 67 3HG1 VAL 8 3HG1 VAL 8 -0.880 3.961 -1.399 68 1HG2 VAL 8 1HG2 VAL 8 2.574 3.044 -0.330 69 2HG2 VAL 8 2HG2 VAL 8 2.104 2.780 1.375 70 3HG2 VAL 8 3HG2 VAL 8 1.467 1.729 0.142 71 H ASN 9 H ASN 9 -0.807 5.666 2.150 72 HA ASN 9 HA ASN 9 -2.922 6.681 0.455 73 1HB ASN 9 HB2 ASN 9 -2.690 6.546 3.498 74 2HB ASN 9 HB3 ASN 9 -4.180 6.828 2.587 75 1HD2 ASN 9 1HD2 ASN 9 -2.937 3.036 3.136 76 2HD2 ASN 9 2HD2 ASN 9 -2.328 4.420 4.074 77 H VAL 10 H VAL 10 -4.108 8.693 0.914 78 HA VAL 10 HA VAL 10 -2.523 11.036 1.758 79 HB VAL 10 HB VAL 10 -3.723 10.824 -1.013 80 1HG1 VAL 10 1HG1 VAL 10 -3.771 13.098 -0.136 81 2HG1 VAL 10 2HG1 VAL 10 -2.060 13.020 0.313 82 3HG1 VAL 10 3HG1 VAL 10 -2.557 12.970 -1.383 83 1HG2 VAL 10 1HG2 VAL 10 -1.405 11.031 -1.859 84 2HG2 VAL 10 2HG2 VAL 10 -0.783 10.854 -0.215 85 3HG2 VAL 10 3HG2 VAL 10 -1.647 9.514 -1.031 86 HA PRO 11 HA PRO 11 -6.775 11.905 3.206 87 1HB PRO 11 HB2 PRO 11 -5.556 14.656 3.524 88 2HB PRO 11 HB3 PRO 11 -6.592 13.747 4.681 89 1HG PRO 11 HG2 PRO 11 -3.908 13.915 5.024 90 2HG PRO 11 HG3 PRO 11 -4.770 12.365 5.311 91 1HD PRO 11 HD2 PRO 11 -3.178 13.225 2.893 92 2HD PRO 11 HD3 PRO 11 -3.185 11.636 3.764 93 HA PRO 12 HA PRO 12 -8.585 13.898 -0.314 94 1HB PRO 12 HB2 PRO 12 -10.502 15.418 1.430 95 2HB PRO 12 HB3 PRO 12 -10.850 14.266 0.109 96 1HG PRO 12 HG2 PRO 12 -11.184 13.538 2.692 97 2HG PRO 12 HG3 PRO 12 -10.517 12.406 1.480 98 1HD PRO 12 HD2 PRO 12 -9.020 14.176 3.458 99 2HD PRO 12 HD3 PRO 12 -8.806 12.442 3.180 100 H SER 13 H SER 13 -8.608 15.837 -1.473 101 HA SER 13 HA SER 13 -7.595 18.324 -0.187 102 1HB SER 13 HB2 SER 13 -5.779 16.759 -1.080 103 2HB SER 13 HB3 SER 13 -6.376 17.153 -2.697 104 HG SER 13 HG SER 13 -4.697 18.531 -2.011 105 H VAL 14 H VAL 14 -10.221 18.248 -0.732 106 HA VAL 14 HA VAL 14 -10.720 19.254 -3.426 107 HB VAL 14 HB VAL 14 -12.458 17.985 -2.207 108 1HG1 VAL 14 1HG1 VAL 14 -12.313 19.163 0.023 109 2HG1 VAL 14 2HG1 VAL 14 -13.099 20.592 -0.736 110 3HG1 VAL 14 3HG1 VAL 14 -13.931 19.040 -0.650 111 1HG2 VAL 14 1HG2 VAL 14 -12.913 19.423 -4.199 112 2HG2 VAL 14 2HG2 VAL 14 -14.302 19.255 -3.096 113 3HG2 VAL 14 3HG2 VAL 14 -13.365 20.759 -3.117 114 H ARG 15 H ARG 15 -10.592 21.116 -4.149 115 HA ARG 15 HA ARG 15 -10.326 23.566 -2.415 116 1HB ARG 15 HB2 ARG 15 -8.642 22.577 -4.703 117 2HB ARG 15 HB3 ARG 15 -8.680 24.291 -4.319 118 1HG ARG 15 HG2 ARG 15 -7.583 24.034 -2.289 119 2HG ARG 15 HG3 ARG 15 -8.100 22.357 -2.059 120 1HD ARG 15 HD2 ARG 15 -6.101 23.269 -4.172 121 2HD ARG 15 HD3 ARG 15 -5.652 22.607 -2.602 122 HE ARG 15 HE ARG 15 -7.290 20.655 -3.478 123 1HH1 ARG 15 1HH1 ARG 15 -7.079 18.998 -4.687 124 2HH1 ARG 15 2HH1 ARG 15 -5.803 18.850 -5.882 125 1HH2 ARG 15 1HH2 ARG 15 -4.561 22.022 -5.246 126 2HH2 ARG 15 2HH2 ARG 15 -4.411 20.562 -6.200 127 H ALA 16 H ALA 16 -10.596 25.541 -3.824 128 HA ALA 16 HA ALA 16 -12.937 25.234 -5.660 129 1HB ALA 16 HB1 ALA 16 -11.644 27.677 -4.364 130 2HB ALA 16 HB2 ALA 16 -13.019 27.718 -5.500 131 3HB ALA 16 HB3 ALA 16 -13.207 26.904 -3.921 132 H ARG 17 H ARG 17 -12.566 25.093 -7.810 133 HA ARG 17 HA ARG 17 -9.951 25.688 -8.972 134 1HB ARG 17 HB2 ARG 17 -11.559 23.919 -9.763 135 2HB ARG 17 HB3 ARG 17 -12.537 25.193 -10.516 136 1HG ARG 17 HG2 ARG 17 -10.568 25.923 -11.841 137 2HG ARG 17 HG3 ARG 17 -9.601 24.629 -11.106 138 1HD ARG 17 HD2 ARG 17 -12.104 24.204 -12.810 139 2HD ARG 17 HD3 ARG 17 -10.483 24.205 -13.437 140 HE ARG 17 HE ARG 17 -11.810 22.082 -11.940 141 1HH1 ARG 17 1HH1 ARG 17 -8.609 23.183 -12.894 142 2HH1 ARG 17 2HH1 ARG 17 -7.937 21.577 -12.669 143 1HH2 ARG 17 1HH2 ARG 17 -9.167 19.924 -12.071 144 2HH2 ARG 17 2HH2 ARG 17 -10.872 20.084 -11.780 145 H GLN 18 H GLN 18 -12.925 27.466 -8.621 146 HA GLN 18 HA GLN 18 -11.556 30.035 -9.110 147 1HB GLN 18 HB2 GLN 18 -14.044 29.124 -10.687 148 2HB GLN 18 HB3 GLN 18 -13.625 30.825 -10.413 149 1HG GLN 18 HG2 GLN 18 -11.449 30.490 -11.565 150 2HG GLN 18 HG3 GLN 18 -11.907 28.814 -11.901 151 1HE2 GLN 18 1HE2 GLN 18 -13.819 31.860 -13.960 152 2HE2 GLN 18 2HE2 GLN 18 -13.183 32.200 -12.367 153 H SER 19 H SER 19 -12.387 31.520 -7.576 154 HA SER 19 HA SER 19 -14.124 30.440 -5.517 155 1HB SER 19 HB2 SER 19 -13.031 33.257 -5.780 156 2HB SER 19 HB3 SER 19 -13.644 32.491 -4.308 157 HG SER 19 HG SER 19 -11.342 32.441 -4.460 158 H THR 20 H THR 20 -14.666 32.545 -8.240 159 HA THR 20 HA THR 20 -17.575 32.630 -7.709 160 HB THR 20 HB THR 20 -15.913 35.131 -8.222 161 HG1 THR 20 HG1 THR 20 -16.655 35.748 -6.253 162 1HG2 THR 20 1HG2 THR 20 -17.974 35.319 -9.550 163 2HG2 THR 20 2HG2 THR 20 -18.939 34.787 -8.144 164 3HG2 THR 20 3HG2 THR 20 -18.089 36.327 -8.107 165 H MET 21 H MET 21 -18.674 32.323 -9.527 166 HA MET 21 HA MET 21 -17.472 32.848 -12.207 167 1HB MET 21 HB2 MET 21 -18.904 30.295 -11.338 168 2HB MET 21 HB3 MET 21 -18.517 30.730 -13.025 169 1HG MET 21 HG2 MET 21 -16.117 30.966 -12.317 170 2HG MET 21 HG3 MET 21 -16.568 30.261 -10.765 171 1HE MET 21 HE1 MET 21 -16.320 29.843 -14.587 172 2HE MET 21 HE2 MET 21 -16.360 28.100 -14.846 173 3HE MET 21 HE3 MET 21 -17.860 28.968 -14.480 174 H ASN 22 H ASN 22 -19.394 32.435 -13.880 175 HA ASN 22 HA ASN 22 -21.964 33.523 -13.078 176 1HB ASN 22 HB2 ASN 22 -21.687 35.652 -14.319 177 2HB ASN 22 HB3 ASN 22 -20.645 35.546 -12.917 178 1HD2 ASN 22 1HD2 ASN 22 -18.894 35.711 -16.611 179 2HD2 ASN 22 2HD2 ASN 22 -20.613 35.354 -16.491 180 H ALA 23 H ALA 23 -23.282 34.124 -15.112 181 HA ALA 23 HA ALA 23 -22.584 32.799 -17.607 182 1HB ALA 23 HB1 ALA 23 -24.761 31.610 -15.826 183 2HB ALA 23 HB2 ALA 23 -24.378 31.072 -17.489 184 3HB ALA 23 HB3 ALA 23 -23.216 30.829 -16.182 185 H THR 24 H THR 24 -24.137 33.150 -19.254 186 HA THR 24 HA THR 24 -26.046 35.376 -18.720 187 HB THR 24 HB THR 24 -25.231 34.322 -21.421 188 HG1 THR 24 HG1 THR 24 -23.388 35.138 -20.477 189 1HG2 THR 24 1HG2 THR 24 -27.286 35.654 -21.461 190 2HG2 THR 24 2HG2 THR 24 -26.503 36.909 -20.451 191 3HG2 THR 24 3HG2 THR 24 -25.951 36.601 -22.107 192 H ALA 25 H ALA 25 -27.973 34.671 -18.120 193 HA ALA 25 HA ALA 25 -29.171 32.138 -18.954 194 1HB ALA 25 HB1 ALA 25 -30.139 34.512 -17.276 195 2HB ALA 25 HB2 ALA 25 -31.069 33.043 -17.555 196 3HB ALA 25 HB3 ALA 25 -29.487 32.944 -16.729 197 H ASN 26 H ASN 26 -31.597 32.253 -19.694 198 HA ASN 26 HA ASN 26 -33.073 32.509 -21.320 199 1HB ASN 26 HB2 ASN 26 -32.032 35.323 -21.730 200 2HB ASN 26 HB3 ASN 26 -33.559 34.670 -22.286 201 1HD2 ASN 26 1HD2 ASN 26 -35.202 34.856 -19.135 202 2HD2 ASN 26 2HD2 ASN 26 -35.224 34.067 -20.705 203 H LEU 27 H LEU 27 -29.810 32.511 -22.108 204 HA LEU 27 HA LEU 27 -30.231 32.208 -25.028 205 1HB LEU 27 HB2 LEU 27 -27.673 32.152 -23.365 206 2HB LEU 27 HB3 LEU 27 -27.761 32.124 -25.116 207 HG LEU 27 HG LEU 27 -28.592 34.436 -23.322 208 1HD1 LEU 27 1HD1 LEU 27 -26.156 34.085 -23.575 209 2HD1 LEU 27 2HD1 LEU 27 -26.329 34.147 -25.338 210 3HD1 LEU 27 3HD1 LEU 27 -26.698 35.570 -24.383 211 1HD2 LEU 27 1HD2 LEU 27 -30.038 34.434 -25.276 212 2HD2 LEU 27 2HD2 LEU 27 -28.841 35.722 -25.428 213 3HD2 LEU 27 3HD2 LEU 27 -28.642 34.225 -26.357 214 H SER 28 H SER 28 -30.317 30.141 -22.346 215 HA SER 28 HA SER 28 -30.157 27.937 -22.012 216 1HB SER 28 HB2 SER 28 -30.843 27.758 -24.982 217 2HB SER 28 HB3 SER 28 -31.028 26.469 -23.803 218 HG SER 28 HG SER 28 -32.976 27.665 -24.166 219 H GLN 29 H GLN 29 -27.683 29.092 -22.367 220 HA GLN 29 HA GLN 29 -25.949 27.393 -24.027 221 1HB GLN 29 HB2 GLN 29 -25.447 29.596 -22.001 222 2HB GLN 29 HB3 GLN 29 -24.145 28.763 -22.835 223 1HG GLN 29 HG2 GLN 29 -25.049 29.369 -25.009 224 2HG GLN 29 HG3 GLN 29 -26.369 30.273 -24.242 225 1HE2 GLN 29 1HE2 GLN 29 -23.387 32.522 -25.165 226 2HE2 GLN 29 2HE2 GLN 29 -24.171 31.261 -26.089 227 H SER 30 H SER 30 -23.884 26.522 -22.970 228 HA SER 30 HA SER 30 -24.474 25.035 -20.463 229 1HB SER 30 HB2 SER 30 -22.900 23.322 -21.271 230 2HB SER 30 HB3 SER 30 -24.282 23.494 -22.337 231 HG SER 30 HG SER 30 -22.253 23.375 -23.472 232 H VAL 31 H VAL 31 -22.840 24.785 -19.000 233 HA VAL 31 HA VAL 31 -20.427 26.551 -19.249 234 HB VAL 31 HB VAL 31 -22.376 26.793 -16.919 235 1HG1 VAL 31 1HG1 VAL 31 -20.108 27.137 -16.104 236 2HG1 VAL 31 2HG1 VAL 31 -19.728 28.174 -17.482 237 3HG1 VAL 31 3HG1 VAL 31 -20.888 28.729 -16.281 238 1HG2 VAL 31 1HG2 VAL 31 -22.700 29.139 -17.675 239 2HG2 VAL 31 2HG2 VAL 31 -21.697 28.812 -19.108 240 3HG2 VAL 31 3HG2 VAL 31 -23.276 28.005 -18.863 241 H THR 32 H THR 32 -18.639 25.672 -18.258 242 HA THR 32 HA THR 32 -18.981 23.295 -16.489 243 HB THR 32 HB THR 32 -16.453 24.179 -17.913 244 HG1 THR 32 HG1 THR 32 -18.093 23.539 -19.348 245 1HG2 THR 32 1HG2 THR 32 -15.981 22.751 -15.982 246 2HG2 THR 32 2HG2 THR 32 -17.234 21.616 -16.481 247 3HG2 THR 32 3HG2 THR 32 -15.787 21.853 -17.467 248 H LEU 33 H LEU 33 -18.193 23.324 -14.430 249 HA LEU 33 HA LEU 33 -16.436 25.428 -13.383 250 1HB LEU 33 HB2 LEU 33 -18.069 26.181 -11.690 251 2HB LEU 33 HB3 LEU 33 -18.529 26.577 -13.332 252 HG LEU 33 HG LEU 33 -20.115 24.529 -13.266 253 1HD1 LEU 33 1HD1 LEU 33 -20.939 24.027 -10.909 254 2HD1 LEU 33 2HD1 LEU 33 -19.334 23.385 -11.249 255 3HD1 LEU 33 3HD1 LEU 33 -19.486 24.853 -10.283 256 1HD2 LEU 33 1HD2 LEU 33 -21.807 25.862 -12.008 257 2HD2 LEU 33 2HD2 LEU 33 -20.495 26.916 -11.432 258 3HD2 LEU 33 3HD2 LEU 33 -20.882 26.853 -13.140 259 H ALA 34 H ALA 34 -15.855 24.906 -10.976 260 HA ALA 34 HA ALA 34 -16.249 22.061 -10.366 261 1HB ALA 34 HB1 ALA 34 -14.604 22.192 -12.387 262 2HB ALA 34 HB2 ALA 34 -13.519 23.059 -11.307 263 3HB ALA 34 HB3 ALA 34 -13.970 21.377 -10.946 264 H CYS 35 H CYS 35 -15.501 21.261 -8.570 265 HA CYS 35 HA CYS 35 -13.845 22.911 -6.695 266 1HB CYS 35 HB2 CYS 35 -16.110 20.977 -6.170 267 2HB CYS 35 HB3 CYS 35 -14.808 21.194 -4.998 268 H ASP 36 H ASP 36 -11.814 22.161 -7.113 269 HA ASP 36 HA ASP 36 -11.431 19.603 -8.382 270 1HB ASP 36 HB2 ASP 36 -9.145 20.217 -8.681 271 2HB ASP 36 HB3 ASP 36 -10.268 21.446 -9.245 272 H ALA 37 H ALA 37 -12.248 18.239 -6.786 273 HA ALA 37 HA ALA 37 -10.730 17.590 -4.408 274 1HB ALA 37 HB1 ALA 37 -13.189 17.134 -4.680 275 2HB ALA 37 HB2 ALA 37 -12.783 15.907 -5.923 276 3HB ALA 37 HB3 ALA 37 -12.265 15.687 -4.237 277 H ASP 38 H ASP 38 -9.445 15.917 -3.970 278 HA ASP 38 HA ASP 38 -8.731 13.794 -5.821 279 1HB ASP 38 HB2 ASP 38 -7.319 15.727 -6.632 280 2HB ASP 38 HB3 ASP 38 -6.751 15.977 -5.007 281 H GLY 39 H GLY 39 -7.120 12.321 -4.683 282 1HA GLY 39 HA2 GLY 39 -6.221 12.425 -2.055 283 2HA GLY 39 HA3 GLY 39 -7.865 11.800 -1.948 284 H PHE 40 H PHE 40 -6.034 10.099 -1.036 285 HA PHE 40 HA PHE 40 -6.266 7.950 -3.019 286 1HB PHE 40 HB2 PHE 40 -4.015 8.928 -3.340 287 2HB PHE 40 HB3 PHE 40 -3.561 8.268 -1.785 288 HD1 PHE 40 HD1 PHE 40 -4.281 7.563 -5.298 289 HD2 PHE 40 HD2 PHE 40 -3.599 5.752 -1.448 290 HE1 PHE 40 HE1 PHE 40 -3.868 5.387 -6.400 291 HE2 PHE 40 HE2 PHE 40 -3.275 3.545 -2.540 292 HZ PHE 40 HZ PHE 40 -3.398 3.359 -5.000 293 HA PRO 41 HA PRO 41 -7.108 5.932 -3.059 294 1HB PRO 41 HB2 PRO 41 -9.548 4.900 -2.329 295 2HB PRO 41 HB3 PRO 41 -7.990 4.027 -2.154 296 1HG PRO 41 HG2 PRO 41 -9.469 5.674 -0.052 297 2HG PRO 41 HG3 PRO 41 -8.812 4.003 0.110 298 1HD PRO 41 HD2 PRO 41 -7.412 6.155 0.988 299 2HD PRO 41 HD3 PRO 41 -6.556 4.802 0.172 300 H GLU 42 H GLU 42 -8.780 6.632 -4.445 301 HA GLU 42 HA GLU 42 -9.431 9.230 -4.661 302 1HB GLU 42 HB2 GLU 42 -11.295 8.622 -6.161 303 2HB GLU 42 HB3 GLU 42 -9.836 7.673 -6.432 304 1HG GLU 42 HG2 GLU 42 -10.842 5.791 -5.098 305 2HG GLU 42 HG3 GLU 42 -12.346 6.719 -5.011 306 HA PRO 43 HA PRO 43 -12.005 10.125 -1.277 307 1HB PRO 43 HB2 PRO 43 -12.776 12.698 -1.712 308 2HB PRO 43 HB3 PRO 43 -11.051 12.246 -1.443 309 1HG PRO 43 HG2 PRO 43 -12.479 12.639 -4.063 310 2HG PRO 43 HG3 PRO 43 -10.937 13.378 -3.572 311 1HD PRO 43 HD2 PRO 43 -10.994 11.132 -5.098 312 2HD PRO 43 HD3 PRO 43 -9.766 11.319 -3.818 313 H THR 44 H THR 44 -14.005 10.483 -0.481 314 HA THR 44 HA THR 44 -16.386 10.085 -2.294 315 HB THR 44 HB THR 44 -16.184 9.942 0.751 316 HG1 THR 44 HG1 THR 44 -16.258 7.945 -1.260 317 1HG2 THR 44 1HG2 THR 44 -18.460 9.229 -1.163 318 2HG2 THR 44 2HG2 THR 44 -18.427 8.846 0.574 319 3HG2 THR 44 3HG2 THR 44 -18.453 10.537 0.010 320 H MET 45 H MET 45 -17.012 12.068 -3.096 321 HA MET 45 HA MET 45 -17.124 14.345 -1.187 322 1HB MET 45 HB2 MET 45 -16.123 15.793 -2.709 323 2HB MET 45 HB3 MET 45 -15.113 14.360 -2.707 324 1HG MET 45 HG2 MET 45 -15.159 14.877 -4.924 325 2HG MET 45 HG3 MET 45 -16.408 13.642 -4.808 326 1HE MET 45 HE1 MET 45 -15.499 17.378 -5.653 327 2HE MET 45 HE2 MET 45 -17.090 18.166 -5.552 328 3HE MET 45 HE3 MET 45 -16.307 17.572 -4.081 329 H THR 46 H THR 46 -18.674 15.880 -1.416 330 HA THR 46 HA THR 46 -20.675 15.779 -3.549 331 HB THR 46 HB THR 46 -22.593 15.841 -1.998 332 HG1 THR 46 HG1 THR 46 -22.268 15.035 0.105 333 1HG2 THR 46 1HG2 THR 46 -21.078 13.245 -1.675 334 2HG2 THR 46 2HG2 THR 46 -22.840 13.509 -1.583 335 3HG2 THR 46 3HG2 THR 46 -21.961 13.716 -3.131 336 H TRP 47 H TRP 47 -22.304 17.608 -3.203 337 HA TRP 47 HA TRP 47 -21.322 19.915 -1.710 338 1HB TRP 47 HB2 TRP 47 -21.027 21.336 -3.789 339 2HB TRP 47 HB3 TRP 47 -19.779 20.200 -3.346 340 HD1 TRP 47 HD1 TRP 47 -20.237 17.642 -4.905 341 HE1 TRP 47 HE1 TRP 47 -19.343 17.698 -7.257 342 HE3 TRP 47 HE3 TRP 47 -20.756 22.665 -5.832 343 HZ2 TRP 47 HZ2 TRP 47 -18.602 19.685 -9.205 344 HZ3 TRP 47 HZ3 TRP 47 -19.773 23.616 -7.903 345 HH2 TRP 47 HH2 TRP 47 -18.658 22.149 -9.562 346 H THR 48 H THR 48 -22.656 21.855 -1.930 347 HA THR 48 HA THR 48 -25.478 21.025 -2.412 348 HB THR 48 HB THR 48 -26.150 22.449 -0.571 349 HG1 THR 48 HG1 THR 48 -24.561 23.383 0.737 350 1HG2 THR 48 1HG2 THR 48 -25.209 21.151 1.267 351 2HG2 THR 48 2HG2 THR 48 -25.415 20.076 -0.136 352 3HG2 THR 48 3HG2 THR 48 -23.800 20.688 0.269 353 H LYS 49 H LYS 49 -26.979 22.294 -3.287 354 HA LYS 49 HA LYS 49 -26.119 24.696 -4.807 355 1HB LYS 49 HB2 LYS 49 -27.337 22.610 -5.716 356 2HB LYS 49 HB3 LYS 49 -28.783 23.206 -4.938 357 1HG LYS 49 HG2 LYS 49 -27.130 24.688 -7.046 358 2HG LYS 49 HG3 LYS 49 -28.574 23.711 -7.378 359 1HD LYS 49 HD2 LYS 49 -29.875 25.304 -5.864 360 2HD LYS 49 HD3 LYS 49 -28.460 26.373 -5.845 361 1HE LYS 49 HE2 LYS 49 -28.498 26.474 -8.330 362 2HE LYS 49 HE3 LYS 49 -29.877 25.366 -8.354 363 1HZ LYS 49 HZ1 LYS 49 -30.765 27.537 -8.528 364 2HZ LYS 49 HZ2 LYS 49 -31.055 27.097 -6.969 365 3HZ LYS 49 HZ3 LYS 49 -29.820 28.133 -7.318 366 H ASP 50 H ASP 50 -25.820 25.727 -2.697 367 HA ASP 50 HA ASP 50 -26.326 27.276 -1.124 368 1HB ASP 50 HB2 ASP 50 -27.815 28.280 -2.855 369 2HB ASP 50 HB3 ASP 50 -29.164 27.364 -2.166 370 H GLY 51 H GLY 51 -28.096 24.305 -1.277 371 1HA GLY 51 HA2 GLY 51 -27.761 23.773 1.467 372 2HA GLY 51 HA3 GLY 51 -29.438 24.300 1.245 373 H GLU 52 H GLU 52 -29.533 22.954 -1.523 374 HA GLU 52 HA GLU 52 -30.076 20.254 -0.459 375 1HB GLU 52 HB2 GLU 52 -31.525 19.941 -2.383 376 2HB GLU 52 HB3 GLU 52 -31.912 21.397 -1.508 377 1HG GLU 52 HG2 GLU 52 -30.723 22.768 -3.254 378 2HG GLU 52 HG3 GLU 52 -30.353 21.271 -4.134 379 HA PRO 53 HA PRO 53 -26.532 18.562 -2.297 380 1HB PRO 53 HB2 PRO 53 -27.969 16.057 -3.065 381 2HB PRO 53 HB3 PRO 53 -26.539 16.265 -1.993 382 1HG PRO 53 HG2 PRO 53 -29.021 15.761 -0.968 383 2HG PRO 53 HG3 PRO 53 -27.926 16.954 -0.185 384 1HD PRO 53 HD2 PRO 53 -30.235 17.492 -2.079 385 2HD PRO 53 HD3 PRO 53 -29.819 18.252 -0.498 386 H ILE 54 H ILE 54 -25.334 18.443 -4.011 387 HA ILE 54 HA ILE 54 -26.399 18.176 -6.776 388 HB ILE 54 HB ILE 54 -23.709 19.203 -5.832 389 1HG1 ILE 54 2HG1 ILE 54 -26.050 20.927 -6.799 390 2HG1 ILE 54 3HG1 ILE 54 -25.781 20.646 -5.097 391 1HG2 ILE 54 1HG2 ILE 54 -25.089 19.655 -8.533 392 2HG2 ILE 54 2HG2 ILE 54 -23.486 20.209 -8.074 393 3HG2 ILE 54 3HG2 ILE 54 -23.764 18.483 -8.282 394 1HD1 ILE 54 1HD1 ILE 54 -23.627 21.649 -5.129 395 2HD1 ILE 54 2HD1 ILE 54 -23.683 21.920 -6.871 396 3HD1 ILE 54 3HD1 ILE 54 -24.843 22.756 -5.833 397 H GLU 55 H GLU 55 -26.465 15.981 -5.229 398 HA GLU 55 HA GLU 55 -24.284 14.314 -4.955 399 1HB GLU 55 HB2 GLU 55 -26.013 12.455 -4.980 400 2HB GLU 55 HB3 GLU 55 -26.180 13.712 -3.761 401 1HG GLU 55 HG2 GLU 55 -27.975 14.773 -5.244 402 2HG GLU 55 HG3 GLU 55 -27.872 13.354 -6.291 403 H GLN 56 H GLN 56 -22.996 13.171 -6.212 404 HA GLN 56 HA GLN 56 -23.061 12.985 -8.991 405 1HB GLN 56 HB2 GLN 56 -21.812 11.126 -6.930 406 2HB GLN 56 HB3 GLN 56 -21.390 11.158 -8.637 407 1HG GLN 56 HG2 GLN 56 -20.643 13.545 -8.360 408 2HG GLN 56 HG3 GLN 56 -20.945 13.381 -6.608 409 1HE2 GLN 56 1HE2 GLN 56 -17.757 11.955 -6.103 410 2HE2 GLN 56 2HE2 GLN 56 -19.094 12.891 -5.406 411 H GLU 57 H GLU 57 -24.923 11.067 -6.748 412 HA GLU 57 HA GLU 57 -25.242 8.812 -8.626 413 1HB GLU 57 HB2 GLU 57 -26.131 9.284 -5.733 414 2HB GLU 57 HB3 GLU 57 -26.359 7.783 -6.626 415 1HG GLU 57 HG2 GLU 57 -23.899 7.588 -6.949 416 2HG GLU 57 HG3 GLU 57 -23.670 8.990 -5.910 417 H ASP 58 H ASP 58 -26.938 11.657 -8.183 418 HA ASP 58 HA ASP 58 -29.300 10.629 -9.610 419 1HB ASP 58 HB2 ASP 58 -29.698 10.103 -7.167 420 2HB ASP 58 HB3 ASP 58 -29.758 11.826 -6.860 421 H ASN 59 H ASN 59 -27.448 13.390 -8.479 422 HA ASN 59 HA ASN 59 -29.334 15.309 -9.676 423 1HB ASN 59 HB2 ASN 59 -27.990 15.880 -7.648 424 2HB ASN 59 HB3 ASN 59 -26.516 15.839 -8.626 425 1HD2 ASN 59 1HD2 ASN 59 -27.110 18.975 -10.091 426 2HD2 ASN 59 2HD2 ASN 59 -26.073 17.563 -10.000 427 H GLU 60 H GLU 60 -29.417 14.190 -11.649 428 HA GLU 60 HA GLU 60 -27.256 14.775 -13.654 429 1HB GLU 60 HB2 GLU 60 -29.211 12.458 -13.510 430 2HB GLU 60 HB3 GLU 60 -28.001 12.709 -14.770 431 1HG GLU 60 HG2 GLU 60 -26.181 12.490 -13.112 432 2HG GLU 60 HG3 GLU 60 -27.384 12.165 -11.833 433 H GLU 61 H GLU 61 -30.195 15.977 -12.868 434 HA GLU 61 HA GLU 61 -31.815 15.662 -15.132 435 1HB GLU 61 HB2 GLU 61 -31.750 17.991 -13.153 436 2HB GLU 61 HB3 GLU 61 -33.027 17.686 -14.312 437 1HG GLU 61 HG2 GLU 61 -32.221 15.719 -12.122 438 2HG GLU 61 HG3 GLU 61 -33.494 16.912 -11.974 439 H LYS 62 H LYS 62 -29.275 18.045 -14.727 440 HA LYS 62 HA LYS 62 -29.091 18.337 -17.580 441 1HB LYS 62 HB2 LYS 62 -29.478 20.688 -17.866 442 2HB LYS 62 HB3 LYS 62 -30.880 19.976 -17.122 443 1HG LYS 62 HG2 LYS 62 -29.759 20.855 -14.861 444 2HG LYS 62 HG3 LYS 62 -28.898 21.928 -15.992 445 1HD LYS 62 HD2 LYS 62 -31.325 22.374 -16.984 446 2HD LYS 62 HD3 LYS 62 -31.877 21.691 -15.437 447 1HE LYS 62 HE2 LYS 62 -31.811 24.019 -15.068 448 2HE LYS 62 HE3 LYS 62 -30.356 23.403 -14.286 449 1HZ LYS 62 HZ1 LYS 62 -29.778 25.289 -15.545 450 2HZ LYS 62 HZ2 LYS 62 -29.148 24.015 -16.383 451 3HZ LYS 62 HZ3 LYS 62 -30.488 24.752 -16.916 452 H TYR 63 H TYR 63 -27.393 17.183 -15.959 453 HA TYR 63 HA TYR 63 -25.015 18.873 -16.110 454 1HB TYR 63 HB2 TYR 63 -25.134 17.612 -13.480 455 2HB TYR 63 HB3 TYR 63 -24.635 19.252 -13.963 456 HD1 TYR 63 HD1 TYR 63 -27.647 17.145 -13.171 457 HD2 TYR 63 HD2 TYR 63 -25.940 21.093 -13.260 458 HE1 TYR 63 HE1 TYR 63 -29.655 18.057 -12.008 459 HE2 TYR 63 HE2 TYR 63 -27.958 22.009 -12.165 460 HH TYR 63 HH TYR 63 -30.736 19.915 -11.225 461 H SER 64 H SER 64 -23.034 17.828 -16.001 462 HA SER 64 HA SER 64 -22.831 14.867 -15.845 463 1HB SER 64 HB2 SER 64 -21.953 16.437 -18.316 464 2HB SER 64 HB3 SER 64 -21.792 14.686 -18.047 465 HG SER 64 HG SER 64 -24.047 14.507 -18.083 466 H PHE 65 H PHE 65 -20.765 14.281 -15.098 467 HA PHE 65 HA PHE 65 -18.644 16.296 -15.057 468 1HB PHE 65 HB2 PHE 65 -18.575 15.872 -12.615 469 2HB PHE 65 HB3 PHE 65 -20.158 16.430 -13.195 470 HD1 PHE 65 HD1 PHE 65 -22.161 15.052 -12.893 471 HD2 PHE 65 HD2 PHE 65 -18.257 13.485 -11.937 472 HE1 PHE 65 HE1 PHE 65 -23.204 13.013 -11.909 473 HE2 PHE 65 HE2 PHE 65 -19.304 11.442 -11.001 474 HZ PHE 65 HZ PHE 65 -21.783 11.213 -11.004 475 H ASN 66 H ASN 66 -16.654 15.504 -13.916 476 HA ASN 66 HA ASN 66 -15.620 13.325 -15.579 477 1HB ASN 66 HB2 ASN 66 -13.464 14.270 -15.122 478 2HB ASN 66 HB3 ASN 66 -14.557 15.626 -15.358 479 1HD2 ASN 66 1HD2 ASN 66 -12.622 16.645 -12.467 480 2HD2 ASN 66 2HD2 ASN 66 -12.520 16.638 -14.234 481 H TYR 67 H TYR 67 -13.549 12.220 -14.452 482 HA TYR 67 HA TYR 67 -14.753 10.225 -12.752 483 1HB TYR 67 HB2 TYR 67 -11.881 10.507 -13.640 484 2HB TYR 67 HB3 TYR 67 -12.644 9.045 -13.012 485 HD1 TYR 67 HD1 TYR 67 -11.813 10.955 -15.943 486 HD2 TYR 67 HD2 TYR 67 -14.700 8.153 -14.381 487 HE1 TYR 67 HE1 TYR 67 -12.448 10.321 -18.270 488 HE2 TYR 67 HE2 TYR 67 -15.335 7.524 -16.751 489 HH TYR 67 HH TYR 67 -13.710 8.943 -19.594 490 H ASP 68 H ASP 68 -13.090 13.110 -11.876 491 HA ASP 68 HA ASP 68 -12.245 12.157 -9.186 492 1HB ASP 68 HB2 ASP 68 -12.020 14.831 -10.593 493 2HB ASP 68 HB3 ASP 68 -11.410 14.514 -8.993 494 H GLY 69 H GLY 69 -15.039 13.406 -10.749 495 1HA GLY 69 HA2 GLY 69 -17.115 13.972 -9.865 496 2HA GLY 69 HA3 GLY 69 -16.450 13.939 -8.238 497 H SER 70 H SER 70 -14.430 15.825 -10.243 498 HA SER 70 HA SER 70 -15.160 18.191 -8.665 499 1HB SER 70 HB2 SER 70 -13.041 19.062 -9.531 500 2HB SER 70 HB3 SER 70 -12.880 17.534 -8.680 501 HG SER 70 HG SER 70 -11.640 17.432 -10.520 502 H GLU 71 H GLU 71 -14.390 17.716 -12.135 503 HA GLU 71 HA GLU 71 -15.501 20.314 -12.791 504 1HB GLU 71 HB2 GLU 71 -14.655 18.031 -14.610 505 2HB GLU 71 HB3 GLU 71 -15.095 19.630 -15.149 506 1HG GLU 71 HG2 GLU 71 -13.235 20.619 -13.969 507 2HG GLU 71 HG3 GLU 71 -12.798 19.093 -13.223 508 H LEU 72 H LEU 72 -17.593 20.628 -12.452 509 HA LEU 72 HA LEU 72 -19.602 18.704 -13.496 510 1HB LEU 72 HB2 LEU 72 -19.778 19.413 -11.132 511 2HB LEU 72 HB3 LEU 72 -19.814 21.096 -11.624 512 HG LEU 72 HG LEU 72 -21.989 20.666 -12.839 513 1HD1 LEU 72 1HD1 LEU 72 -21.842 18.285 -13.331 514 2HD1 LEU 72 2HD1 LEU 72 -21.659 17.910 -11.579 515 3HD1 LEU 72 3HD1 LEU 72 -23.183 18.538 -12.225 516 1HD2 LEU 72 1HD2 LEU 72 -21.926 19.874 -9.915 517 2HD2 LEU 72 2HD2 LEU 72 -21.965 21.520 -10.579 518 3HD2 LEU 72 3HD2 LEU 72 -23.356 20.456 -10.816 519 H ILE 73 H ILE 73 -20.149 18.984 -15.463 520 HA ILE 73 HA ILE 73 -20.228 21.660 -16.767 521 HB ILE 73 HB ILE 73 -20.900 18.935 -17.924 522 1HG1 ILE 73 2HG1 ILE 73 -18.276 20.304 -18.565 523 2HG1 ILE 73 3HG1 ILE 73 -18.373 19.321 -17.104 524 1HG2 ILE 73 1HG2 ILE 73 -20.543 20.161 -20.101 525 2HG2 ILE 73 2HG2 ILE 73 -21.862 20.833 -19.146 526 3HG2 ILE 73 3HG2 ILE 73 -20.284 21.649 -19.184 527 1HD1 ILE 73 1HD1 ILE 73 -19.083 18.308 -19.896 528 2HD1 ILE 73 2HD1 ILE 73 -17.570 18.044 -19.009 529 3HD1 ILE 73 3HD1 ILE 73 -19.087 17.384 -18.379 530 H ILE 74 H ILE 74 -22.093 22.715 -16.790 531 HA ILE 74 HA ILE 74 -24.667 21.289 -16.188 532 HB ILE 74 HB ILE 74 -24.091 24.250 -15.801 533 1HG1 ILE 74 2HG1 ILE 74 -23.998 21.962 -13.783 534 2HG1 ILE 74 3HG1 ILE 74 -22.672 23.020 -14.239 535 1HG2 ILE 74 1HG2 ILE 74 -26.449 23.686 -16.201 536 2HG2 ILE 74 2HG2 ILE 74 -26.403 22.453 -14.925 537 3HG2 ILE 74 3HG2 ILE 74 -26.245 24.159 -14.523 538 1HD1 ILE 74 1HD1 ILE 74 -25.070 23.806 -12.576 539 2HD1 ILE 74 2HD1 ILE 74 -23.396 23.670 -12.076 540 3HD1 ILE 74 3HD1 ILE 74 -23.871 24.957 -13.248 541 H LYS 75 H LYS 75 -26.332 21.641 -17.652 542 HA LYS 75 HA LYS 75 -25.701 23.261 -20.081 543 1HB LYS 75 HB2 LYS 75 -26.578 21.575 -21.529 544 2HB LYS 75 HB3 LYS 75 -25.389 20.842 -20.454 545 1HG LYS 75 HG2 LYS 75 -27.503 20.221 -18.966 546 2HG LYS 75 HG3 LYS 75 -28.391 20.515 -20.448 547 1HD LYS 75 HD2 LYS 75 -27.953 18.189 -20.305 548 2HD LYS 75 HD3 LYS 75 -26.892 18.830 -21.564 549 1HE LYS 75 HE2 LYS 75 -24.984 18.858 -19.924 550 2HE LYS 75 HE3 LYS 75 -26.057 18.294 -18.661 551 1HZ LYS 75 HZ1 LYS 75 -26.370 16.231 -19.945 552 2HZ LYS 75 HZ2 LYS 75 -25.291 16.754 -21.069 553 3HZ LYS 75 HZ3 LYS 75 -24.819 16.466 -19.539 554 H LYS 76 H LYS 76 -27.416 24.035 -21.264 555 HA LYS 76 HA LYS 76 -29.144 25.499 -21.445 556 1HB LYS 76 HB2 LYS 76 -31.379 24.642 -21.182 557 2HB LYS 76 HB3 LYS 76 -30.348 23.514 -22.036 558 1HG LYS 76 HG2 LYS 76 -30.167 22.073 -20.065 559 2HG LYS 76 HG3 LYS 76 -31.154 23.196 -19.123 560 1HD LYS 76 HD2 LYS 76 -33.037 22.859 -20.616 561 2HD LYS 76 HD3 LYS 76 -32.075 21.776 -21.646 562 1HE LYS 76 HE2 LYS 76 -31.774 20.251 -19.627 563 2HE LYS 76 HE3 LYS 76 -32.782 21.352 -18.685 564 1HZ LYS 76 HZ1 LYS 76 -34.627 20.869 -20.224 565 2HZ LYS 76 HZ2 LYS 76 -33.702 19.839 -21.082 566 3HZ LYS 76 HZ3 LYS 76 -34.097 19.483 -19.551 567 H VAL 77 H VAL 77 -27.709 26.530 -19.813 568 HA VAL 77 HA VAL 77 -28.655 26.762 -17.099 569 HB VAL 77 HB VAL 77 -26.507 28.216 -18.662 570 1HG1 VAL 77 1HG1 VAL 77 -25.622 29.030 -16.485 571 2HG1 VAL 77 2HG1 VAL 77 -27.184 29.772 -16.902 572 3HG1 VAL 77 3HG1 VAL 77 -27.125 28.470 -15.682 573 1HG2 VAL 77 1HG2 VAL 77 -25.028 26.838 -17.194 574 2HG2 VAL 77 2HG2 VAL 77 -26.460 26.077 -16.469 575 3HG2 VAL 77 3HG2 VAL 77 -26.085 25.834 -18.169 576 H ASP 78 H ASP 78 -29.712 28.278 -16.052 577 HA ASP 78 HA ASP 78 -30.422 30.835 -17.334 578 1HB ASP 78 HB2 ASP 78 -32.203 28.908 -17.829 579 2HB ASP 78 HB3 ASP 78 -32.756 29.284 -16.205 580 H LYS 79 H LYS 79 -32.159 31.960 -15.599 581 HA LYS 79 HA LYS 79 -30.466 32.657 -13.387 582 1HB LYS 79 HB2 LYS 79 -33.278 33.291 -14.306 583 2HB LYS 79 HB3 LYS 79 -32.816 33.840 -12.705 584 1HG LYS 79 HG2 LYS 79 -30.853 34.425 -14.893 585 2HG LYS 79 HG3 LYS 79 -32.383 35.292 -14.946 586 1HD LYS 79 HD2 LYS 79 -30.505 36.447 -13.746 587 2HD LYS 79 HD3 LYS 79 -32.046 36.337 -12.876 588 1HE LYS 79 HE2 LYS 79 -31.194 34.561 -11.447 589 2HE LYS 79 HE3 LYS 79 -29.719 34.443 -12.407 590 1HZ LYS 79 HZ1 LYS 79 -29.019 36.560 -11.609 591 2HZ LYS 79 HZ2 LYS 79 -30.482 36.927 -10.933 592 3HZ LYS 79 HZ3 LYS 79 -29.526 35.773 -10.284 593 H SER 80 H SER 80 -32.632 29.989 -13.630 594 HA SER 80 HA SER 80 -33.069 29.639 -10.768 595 1HB SER 80 HB2 SER 80 -33.799 27.359 -11.524 596 2HB SER 80 HB3 SER 80 -34.658 28.704 -12.307 597 HG SER 80 HG SER 80 -34.003 27.106 -13.817 598 H ASP 81 H ASP 81 -30.285 29.103 -12.818 599 HA ASP 81 HA ASP 81 -29.211 26.918 -11.166 600 1HB ASP 81 HB2 ASP 81 -28.024 28.518 -13.471 601 2HB ASP 81 HB3 ASP 81 -27.204 27.204 -12.631 602 H GLU 82 H GLU 82 -29.266 30.284 -10.736 603 HA GLU 82 HA GLU 82 -26.790 30.980 -9.671 604 1HB GLU 82 HB2 GLU 82 -28.760 32.504 -10.063 605 2HB GLU 82 HB3 GLU 82 -29.522 31.800 -8.631 606 1HG GLU 82 HG2 GLU 82 -27.566 32.560 -7.251 607 2HG GLU 82 HG3 GLU 82 -26.938 33.368 -8.689 608 H ALA 83 H ALA 83 -25.574 30.295 -7.944 609 HA ALA 83 HA ALA 83 -26.870 28.925 -5.654 610 1HB ALA 83 HB1 ALA 83 -25.533 26.828 -5.991 611 2HB ALA 83 HB2 ALA 83 -26.528 27.136 -7.435 612 3HB ALA 83 HB3 ALA 83 -24.820 27.534 -7.480 613 H GLU 84 H GLU 84 -25.601 28.565 -3.890 614 HA GLU 84 HA GLU 84 -22.831 29.756 -3.808 615 1HB GLU 84 HB2 GLU 84 -24.492 31.015 -2.445 616 2HB GLU 84 HB3 GLU 84 -24.835 29.541 -1.508 617 1HG GLU 84 HG2 GLU 84 -22.460 29.476 -0.781 618 2HG GLU 84 HG3 GLU 84 -22.108 30.882 -1.785 619 H TYR 85 H TYR 85 -21.640 28.026 -4.251 620 HA TYR 85 HA TYR 85 -22.503 25.338 -3.514 621 1HB TYR 85 HB2 TYR 85 -20.095 26.375 -5.030 622 2HB TYR 85 HB3 TYR 85 -20.487 24.704 -4.836 623 HD1 TYR 85 HD1 TYR 85 -20.505 27.170 -7.222 624 HD2 TYR 85 HD2 TYR 85 -23.109 24.203 -5.513 625 HE1 TYR 85 HE1 TYR 85 -21.675 26.918 -9.427 626 HE2 TYR 85 HE2 TYR 85 -24.288 23.981 -7.706 627 HH TYR 85 HH TYR 85 -24.468 24.702 -9.813 628 H ILE 86 H ILE 86 -22.033 24.531 -1.534 629 HA ILE 86 HA ILE 86 -19.266 25.000 -0.435 630 HB ILE 86 HB ILE 86 -21.801 24.141 0.997 631 1HG1 ILE 86 2HG1 ILE 86 -21.198 26.073 2.529 632 2HG1 ILE 86 3HG1 ILE 86 -19.972 26.568 1.379 633 1HG2 ILE 86 1HG2 ILE 86 -20.336 23.984 3.003 634 2HG2 ILE 86 2HG2 ILE 86 -19.849 22.819 1.785 635 3HG2 ILE 86 3HG2 ILE 86 -18.908 24.300 2.003 636 1HD1 ILE 86 1HD1 ILE 86 -22.132 27.875 1.289 637 2HD1 ILE 86 2HD1 ILE 86 -21.647 27.181 -0.247 638 3HD1 ILE 86 3HD1 ILE 86 -22.940 26.393 0.695 639 H CYS 87 H CYS 87 -17.928 23.358 -0.740 640 HA CYS 87 HA CYS 87 -19.026 20.710 -1.520 641 1HB CYS 87 HB2 CYS 87 -17.249 20.567 -3.245 642 2HB CYS 87 HB3 CYS 87 -18.369 21.913 -3.502 643 H ILE 88 H ILE 88 -18.272 18.954 -0.660 644 HA ILE 88 HA ILE 88 -16.064 19.194 1.349 645 HB ILE 88 HB ILE 88 -18.614 17.591 1.713 646 1HG1 ILE 88 2HG1 ILE 88 -18.932 19.511 3.592 647 2HG1 ILE 88 3HG1 ILE 88 -18.118 20.519 2.410 648 1HG2 ILE 88 1HG2 ILE 88 -16.444 18.495 3.671 649 2HG2 ILE 88 2HG2 ILE 88 -17.876 17.528 4.078 650 3HG2 ILE 88 3HG2 ILE 88 -16.648 16.836 3.034 651 1HD1 ILE 88 1HD1 ILE 88 -20.637 20.606 2.291 652 2HD1 ILE 88 2HD1 ILE 88 -19.930 20.020 0.776 653 3HD1 ILE 88 3HD1 ILE 88 -20.659 18.890 1.963 654 H ALA 89 H ALA 89 -14.710 17.441 1.544 655 HA ALA 89 HA ALA 89 -15.353 14.941 0.055 656 1HB ALA 89 HB1 ALA 89 -12.683 16.413 -0.038 657 2HB ALA 89 HB2 ALA 89 -13.043 14.879 -0.843 658 3HB ALA 89 HB3 ALA 89 -13.866 16.348 -1.376 659 H GLU 90 H GLU 90 -14.579 13.097 0.889 660 HA GLU 90 HA GLU 90 -13.132 13.080 3.510 661 1HB GLU 90 HB2 GLU 90 -15.673 13.279 3.759 662 2HB GLU 90 HB3 GLU 90 -15.789 11.710 2.961 663 1HG GLU 90 HG2 GLU 90 -14.280 10.808 4.837 664 2HG GLU 90 HG3 GLU 90 -14.490 12.363 5.634 665 H ASN 91 H ASN 91 -11.992 11.155 3.889 666 HA ASN 91 HA ASN 91 -12.647 8.747 2.417 667 1HB ASN 91 HB2 ASN 91 -10.789 8.288 1.131 668 2HB ASN 91 HB3 ASN 91 -11.209 9.949 0.746 669 1HD2 ASN 91 1HD2 ASN 91 -7.525 9.869 0.967 670 2HD2 ASN 91 2HD2 ASN 91 -8.763 9.208 -0.100 671 H LYS 92 H LYS 92 -10.251 7.289 2.924 672 HA LYS 92 HA LYS 92 -10.790 6.639 5.710 673 1HB LYS 92 HB2 LYS 92 -8.419 5.315 4.628 674 2HB LYS 92 HB3 LYS 92 -9.917 4.627 5.201 675 1HG LYS 92 HG2 LYS 92 -9.257 5.605 2.397 676 2HG LYS 92 HG3 LYS 92 -9.377 3.951 2.933 677 1HD LYS 92 HD2 LYS 92 -11.664 5.881 2.414 678 2HD LYS 92 HD3 LYS 92 -11.304 4.338 1.661 679 1HE LYS 92 HE2 LYS 92 -11.749 3.177 3.805 680 2HE LYS 92 HE3 LYS 92 -12.178 4.707 4.564 681 1HZ LYS 92 HZ1 LYS 92 -14.165 3.523 3.776 682 2HZ LYS 92 HZ2 LYS 92 -14.006 4.961 3.034 683 3HZ LYS 92 HZ3 LYS 92 -13.625 3.595 2.239 684 H ALA 93 H ALA 93 -8.418 8.606 4.182 685 HA ALA 93 HA ALA 93 -6.586 8.606 6.515 686 1HB ALA 93 HB1 ALA 93 -6.339 9.676 3.694 687 2HB ALA 93 HB2 ALA 93 -5.080 9.789 4.950 688 3HB ALA 93 HB3 ALA 93 -5.580 8.221 4.349 689 H GLY 94 H GLY 94 -9.141 10.672 5.164 690 1HA GLY 94 HA2 GLY 94 -9.070 12.434 7.404 691 2HA GLY 94 HA3 GLY 94 -8.145 13.173 6.154 692 H GLU 95 H GLU 95 -9.560 14.908 6.068 693 HA GLU 95 HA GLU 95 -12.035 14.676 4.506 694 1HB GLU 95 HB2 GLU 95 -12.667 14.172 6.894 695 2HB GLU 95 HB3 GLU 95 -12.005 15.716 7.379 696 1HG GLU 95 HG2 GLU 95 -13.706 16.852 5.894 697 2HG GLU 95 HG3 GLU 95 -14.392 15.262 5.567 698 H GLN 96 H GLN 96 -12.650 16.747 3.613 699 HA GLN 96 HA GLN 96 -11.105 19.178 4.224 700 1HB GLN 96 HB2 GLN 96 -9.859 17.453 2.623 701 2HB GLN 96 HB3 GLN 96 -11.022 17.962 1.437 702 1HG GLN 96 HG2 GLN 96 -9.059 19.247 1.071 703 2HG GLN 96 HG3 GLN 96 -10.177 20.385 1.798 704 1HE2 GLN 96 1HE2 GLN 96 -7.546 18.016 2.717 705 2HE2 GLN 96 2HE2 GLN 96 -6.887 19.081 3.956 706 H ASP 97 H ASP 97 -11.838 21.081 2.834 707 HA ASP 97 HA ASP 97 -14.248 20.762 1.257 708 1HB ASP 97 HB2 ASP 97 -15.760 22.081 2.595 709 2HB ASP 97 HB3 ASP 97 -15.217 20.702 3.518 710 H ALA 98 H ALA 98 -15.040 22.687 0.211 711 HA ALA 98 HA ALA 98 -13.601 25.209 0.478 712 1HB ALA 98 HB1 ALA 98 -12.225 23.868 -1.180 713 2HB ALA 98 HB2 ALA 98 -13.629 23.743 -2.235 714 3HB ALA 98 HB3 ALA 98 -12.917 25.317 -1.925 715 H THR 99 H THR 99 -14.537 26.793 -1.324 716 HA THR 99 HA THR 99 -17.496 26.540 -1.491 717 HB THR 99 HB THR 99 -15.997 28.901 -0.296 718 HG1 THR 99 HG1 THR 99 -16.841 28.220 1.636 719 1HG2 THR 99 1HG2 THR 99 -18.159 29.603 -1.257 720 2HG2 THR 99 2HG2 THR 99 -18.995 28.224 -0.468 721 3HG2 THR 99 3HG2 THR 99 -18.311 29.563 0.495 722 H ILE 100 H ILE 100 -18.471 27.658 -3.208 723 HA ILE 100 HA ILE 100 -16.913 29.615 -4.843 724 HB ILE 100 HB ILE 100 -18.324 27.165 -5.983 725 1HG1 ILE 100 2HG1 ILE 100 -15.354 27.761 -5.758 726 2HG1 ILE 100 3HG1 ILE 100 -16.255 26.469 -4.978 727 1HG2 ILE 100 1HG2 ILE 100 -18.601 28.992 -7.525 728 2HG2 ILE 100 2HG2 ILE 100 -16.906 29.476 -7.406 729 3HG2 ILE 100 3HG2 ILE 100 -17.377 27.963 -8.207 730 1HD1 ILE 100 1HD1 ILE 100 -16.781 25.530 -7.263 731 2HD1 ILE 100 2HD1 ILE 100 -15.581 26.650 -7.920 732 3HD1 ILE 100 3HD1 ILE 100 -15.075 25.457 -6.736 733 H HIS 101 H HIS 101 -18.211 31.190 -5.825 734 HA HIS 101 HA HIS 101 -21.189 31.034 -5.395 735 1HB HIS 101 HB2 HIS 101 -19.639 33.414 -6.372 736 2HB HIS 101 HB3 HIS 101 -21.196 33.386 -5.608 737 HD1 HIS 101 HD1 HIS 101 -17.623 33.919 -4.856 738 HD2 HIS 101 HD2 HIS 101 -21.043 32.593 -2.805 739 HE1 HIS 101 HE1 HIS 101 -17.100 34.153 -2.351 740 H LEU 102 H LEU 102 -22.624 31.142 -7.183 741 HA LEU 102 HA LEU 102 -21.457 31.511 -9.888 742 1HB LEU 102 HB2 LEU 102 -22.074 29.149 -9.496 743 2HB LEU 102 HB3 LEU 102 -23.723 29.612 -9.131 744 HG LEU 102 HG LEU 102 -23.940 30.580 -11.445 745 1HD1 LEU 102 1HD1 LEU 102 -21.577 31.019 -12.037 746 2HD1 LEU 102 2HD1 LEU 102 -21.187 29.290 -11.819 747 3HD1 LEU 102 3HD1 LEU 102 -22.259 29.821 -13.141 748 1HD2 LEU 102 1HD2 LEU 102 -23.128 27.674 -11.234 749 2HD2 LEU 102 2HD2 LEU 102 -24.750 28.352 -10.933 750 3HD2 LEU 102 3HD2 LEU 102 -24.026 28.376 -12.575 751 H LYS 103 H LYS 103 -21.878 33.570 -10.190 752 HA LYS 103 HA LYS 103 -24.468 34.816 -9.435 753 1HB LYS 103 HB2 LYS 103 -21.815 35.986 -10.346 754 2HB LYS 103 HB3 LYS 103 -23.244 36.896 -9.827 755 1HG LYS 103 HG2 LYS 103 -23.090 35.764 -7.607 756 2HG LYS 103 HG3 LYS 103 -21.582 34.981 -8.139 757 1HD LYS 103 HD2 LYS 103 -20.554 37.215 -8.473 758 2HD LYS 103 HD3 LYS 103 -22.042 37.977 -7.881 759 1HE LYS 103 HE2 LYS 103 -21.817 36.807 -5.739 760 2HE LYS 103 HE3 LYS 103 -20.347 36.017 -6.284 761 1HZ LYS 103 HZ1 LYS 103 -20.656 38.965 -5.967 762 2HZ LYS 103 HZ2 LYS 103 -19.846 37.976 -4.942 763 3HZ LYS 103 HZ3 LYS 103 -19.285 38.220 -6.468 764 H VAL 104 H VAL 104 -25.687 33.702 -11.097 765 HA VAL 104 HA VAL 104 -25.231 34.117 -13.943 766 HB VAL 104 HB VAL 104 -27.759 33.263 -12.457 767 1HG1 VAL 104 1HG1 VAL 104 -26.955 32.905 -15.393 768 2HG1 VAL 104 2HG1 VAL 104 -28.350 32.153 -14.610 769 3HG1 VAL 104 3HG1 VAL 104 -28.282 33.901 -14.766 770 1HG2 VAL 104 1HG2 VAL 104 -26.007 31.691 -11.879 771 2HG2 VAL 104 2HG2 VAL 104 -27.050 30.936 -13.090 772 3HG2 VAL 104 3HG2 VAL 104 -25.461 31.594 -13.576 773 H PHE 105 H PHE 105 -26.093 35.713 -15.338 774 HA PHE 105 HA PHE 105 -28.088 37.642 -14.292 775 1HB PHE 105 HB2 PHE 105 -26.701 39.238 -15.712 776 2HB PHE 105 HB3 PHE 105 -26.170 38.866 -14.089 777 HD1 PHE 105 HD1 PHE 105 -25.589 37.816 -17.668 778 HD2 PHE 105 HD2 PHE 105 -23.849 38.493 -13.788 779 HE1 PHE 105 HE1 PHE 105 -23.347 37.431 -18.611 780 HE2 PHE 105 HE2 PHE 105 -21.592 38.136 -14.734 781 HZ PHE 105 HZ PHE 105 -21.329 37.595 -17.142 782 H ALA 106 H ALA 106 -29.135 38.845 -16.008 783 HA ALA 106 HA ALA 106 -29.858 36.960 -18.203 784 1HB ALA 106 HB1 ALA 106 -31.509 37.214 -16.381 785 2HB ALA 106 HB2 ALA 106 -31.553 38.975 -16.673 786 3HB ALA 106 HB3 ALA 106 -32.129 37.825 -17.928 787 H LYS 107 H LYS 107 -27.808 38.702 -18.710 788 HA LYS 107 HA LYS 107 -28.629 40.048 -21.114 789 1HB LYS 107 HB2 LYS 107 -28.052 42.332 -20.525 790 2HB LYS 107 HB3 LYS 107 -29.401 41.784 -19.558 791 1HG LYS 107 HG2 LYS 107 -27.756 41.291 -17.670 792 2HG LYS 107 HG3 LYS 107 -26.526 42.114 -18.664 793 1HD LYS 107 HD2 LYS 107 -29.089 43.342 -17.605 794 2HD LYS 107 HD3 LYS 107 -27.474 43.603 -16.948 795 1HE LYS 107 HE2 LYS 107 -28.376 44.426 -19.760 796 2HE LYS 107 HE3 LYS 107 -28.311 45.483 -18.357 797 1HZ LYS 107 HZ1 LYS 107 -25.965 44.091 -19.581 798 2HZ LYS 107 HZ2 LYS 107 -26.290 45.673 -19.701 799 3HZ LYS 107 HZ3 LYS 107 -25.903 45.056 -18.245 Start of MODEL 5 1 1H GLY 1 H1 GLY 1 -11.349 -1.126 2.694 2 2H GLY 1 H2 GLY 1 -12.262 -0.056 3.538 3 3H GLY 1 H3 GLY 1 -12.263 0.007 1.917 4 1HA GLY 1 HA2 GLY 1 -9.930 0.644 1.889 5 2HA GLY 1 HA3 GLY 1 -10.916 1.782 2.867 6 H LYS 2 H LYS 2 -8.118 1.468 3.123 7 HA LYS 2 HA LYS 2 -7.877 0.921 6.004 8 1HB LYS 2 HB2 LYS 2 -6.151 -0.771 5.866 9 2HB LYS 2 HB3 LYS 2 -7.582 -1.321 4.995 10 1HG LYS 2 HG2 LYS 2 -6.509 -0.619 2.836 11 2HG LYS 2 HG3 LYS 2 -5.056 -0.176 3.750 12 1HD LYS 2 HD2 LYS 2 -4.840 -2.504 4.579 13 2HD LYS 2 HD3 LYS 2 -6.259 -2.983 3.638 14 1HE LYS 2 HE2 LYS 2 -5.149 -2.320 1.532 15 2HE LYS 2 HE3 LYS 2 -3.730 -1.775 2.426 16 1HZ LYS 2 HZ1 LYS 2 -3.452 -4.095 1.563 17 2HZ LYS 2 HZ2 LYS 2 -3.474 -4.110 3.210 18 3HZ LYS 2 HZ3 LYS 2 -4.782 -4.566 2.358 19 H ASP 3 H ASP 3 -5.690 1.291 6.781 20 HA ASP 3 HA ASP 3 -4.244 3.552 5.510 21 1HB ASP 3 HB2 ASP 3 -5.095 3.827 7.840 22 2HB ASP 3 HB3 ASP 3 -4.199 2.407 8.359 23 H ILE 4 H ILE 4 -1.875 3.402 5.371 24 HA ILE 4 HA ILE 4 -0.802 0.620 5.188 25 HB ILE 4 HB ILE 4 -0.670 2.796 3.040 26 1HG1 ILE 4 2HG1 ILE 4 -2.241 0.173 3.130 27 2HG1 ILE 4 3HG1 ILE 4 -2.953 1.776 3.200 28 1HG2 ILE 4 1HG2 ILE 4 1.353 1.316 3.038 29 2HG2 ILE 4 2HG2 ILE 4 0.326 -0.109 2.964 30 3HG2 ILE 4 3HG2 ILE 4 0.381 1.067 1.613 31 1HD1 ILE 4 1HD1 ILE 4 -3.280 0.931 1.025 32 2HD1 ILE 4 2HD1 ILE 4 -2.060 2.195 0.861 33 3HD1 ILE 4 3HD1 ILE 4 -1.594 0.494 0.799 34 H GLN 5 H GLN 5 1.481 0.403 5.329 35 HA GLN 5 HA GLN 5 2.774 2.490 6.946 36 1HB GLN 5 HB2 GLN 5 3.743 -0.262 6.113 37 2HB GLN 5 HB3 GLN 5 4.586 0.808 7.246 38 1HG GLN 5 HG2 GLN 5 2.613 0.724 8.767 39 2HG GLN 5 HG3 GLN 5 1.803 -0.410 7.699 40 1HE2 GLN 5 1HE2 GLN 5 3.262 -0.440 10.574 41 2HE2 GLN 5 2HE2 GLN 5 4.097 -1.990 10.497 42 H VAL 6 H VAL 6 2.282 3.227 4.335 43 HA VAL 6 HA VAL 6 4.849 4.044 3.161 44 HB VAL 6 HB VAL 6 2.890 2.486 1.452 45 1HG1 VAL 6 1HG1 VAL 6 4.224 4.078 0.184 46 2HG1 VAL 6 2HG1 VAL 6 5.748 3.491 0.906 47 3HG1 VAL 6 3HG1 VAL 6 4.786 2.457 -0.188 48 1HG2 VAL 6 1HG2 VAL 6 5.544 1.458 2.498 49 2HG2 VAL 6 2HG2 VAL 6 3.926 0.824 2.924 50 3HG2 VAL 6 3HG2 VAL 6 4.529 0.674 1.271 51 H ILE 7 H ILE 7 4.493 5.888 1.743 52 HA ILE 7 HA ILE 7 2.082 7.348 2.381 53 HB ILE 7 HB ILE 7 4.302 8.182 0.472 54 1HG1 ILE 7 2HG1 ILE 7 5.414 7.659 2.566 55 2HG1 ILE 7 3HG1 ILE 7 5.311 9.417 2.369 56 1HG2 ILE 7 1HG2 ILE 7 2.129 9.688 2.012 57 2HG2 ILE 7 2HG2 ILE 7 3.502 10.459 1.197 58 3HG2 ILE 7 3HG2 ILE 7 2.327 9.576 0.247 59 1HD1 ILE 7 1HD1 ILE 7 3.518 7.730 4.181 60 2HD1 ILE 7 2HD1 ILE 7 4.847 8.790 4.680 61 3HD1 ILE 7 3HD1 ILE 7 3.384 9.487 3.957 62 H VAL 8 H VAL 8 0.480 6.154 1.588 63 HA VAL 8 HA VAL 8 -0.159 6.300 -1.320 64 HB VAL 8 HB VAL 8 -0.499 3.831 0.408 65 1HG1 VAL 8 1HG1 VAL 8 -1.054 4.301 -2.534 66 2HG1 VAL 8 2HG1 VAL 8 -1.080 2.717 -1.731 67 3HG1 VAL 8 3HG1 VAL 8 -2.267 3.957 -1.310 68 1HG2 VAL 8 1HG2 VAL 8 1.871 4.065 -0.173 69 2HG2 VAL 8 2HG2 VAL 8 1.142 2.774 -1.124 70 3HG2 VAL 8 3HG2 VAL 8 1.426 4.382 -1.852 71 H ASN 9 H ASN 9 -1.325 6.200 1.992 72 HA ASN 9 HA ASN 9 -4.156 6.305 1.232 73 1HB ASN 9 HB2 ASN 9 -4.457 6.356 3.716 74 2HB ASN 9 HB3 ASN 9 -3.747 4.918 3.037 75 1HD2 ASN 9 1HD2 ASN 9 -1.330 7.392 5.286 76 2HD2 ASN 9 2HD2 ASN 9 -2.698 8.100 4.414 77 H VAL 10 H VAL 10 -3.400 8.339 -0.069 78 HA VAL 10 HA VAL 10 -2.815 10.742 1.284 79 HB VAL 10 HB VAL 10 -3.818 10.434 -1.529 80 1HG1 VAL 10 1HG1 VAL 10 -2.720 12.598 -1.941 81 2HG1 VAL 10 2HG1 VAL 10 -4.003 12.781 -0.772 82 3HG1 VAL 10 3HG1 VAL 10 -2.293 12.718 -0.215 83 1HG2 VAL 10 1HG2 VAL 10 -1.751 9.144 -1.216 84 2HG2 VAL 10 2HG2 VAL 10 -1.368 10.644 -2.086 85 3HG2 VAL 10 3HG2 VAL 10 -1.007 10.499 -0.342 86 HA PRO 11 HA PRO 11 -6.961 11.858 2.779 87 1HB PRO 11 HB2 PRO 11 -5.631 14.558 2.962 88 2HB PRO 11 HB3 PRO 11 -6.690 13.769 4.158 89 1HG PRO 11 HG2 PRO 11 -4.045 13.674 4.520 90 2HG PRO 11 HG3 PRO 11 -4.991 12.131 4.726 91 1HD PRO 11 HD2 PRO 11 -3.327 13.046 2.353 92 2HD PRO 11 HD3 PRO 11 -3.373 11.461 3.177 93 HA PRO 12 HA PRO 12 -8.970 13.741 -0.703 94 1HB PRO 12 HB2 PRO 12 -11.451 14.127 0.242 95 2HB PRO 12 HB3 PRO 12 -10.694 12.515 0.311 96 1HG PRO 12 HG2 PRO 12 -10.819 14.593 2.493 97 2HG PRO 12 HG3 PRO 12 -11.260 12.880 2.612 98 1HD PRO 12 HD2 PRO 12 -8.807 13.804 3.357 99 2HD PRO 12 HD3 PRO 12 -9.079 12.164 2.681 100 H SER 13 H SER 13 -7.433 15.669 -0.623 101 HA SER 13 HA SER 13 -8.218 18.042 0.896 102 1HB SER 13 HB2 SER 13 -5.955 17.631 -1.073 103 2HB SER 13 HB3 SER 13 -6.176 19.034 -0.028 104 HG SER 13 HG SER 13 -4.762 17.607 1.013 105 H VAL 14 H VAL 14 -10.377 18.088 -0.290 106 HA VAL 14 HA VAL 14 -10.417 19.048 -2.983 107 HB VAL 14 HB VAL 14 -12.364 17.973 -1.901 108 1HG1 VAL 14 1HG1 VAL 14 -13.023 20.662 -0.639 109 2HG1 VAL 14 2HG1 VAL 14 -13.970 19.182 -0.578 110 3HG1 VAL 14 3HG1 VAL 14 -12.398 19.276 0.260 111 1HG2 VAL 14 1HG2 VAL 14 -13.054 20.655 -3.092 112 2HG2 VAL 14 2HG2 VAL 14 -12.657 19.191 -3.990 113 3HG2 VAL 14 3HG2 VAL 14 -14.103 19.238 -2.977 114 H ARG 15 H ARG 15 -10.614 20.951 -3.917 115 HA ARG 15 HA ARG 15 -10.434 23.493 -2.314 116 1HB ARG 15 HB2 ARG 15 -8.678 22.522 -4.599 117 2HB ARG 15 HB3 ARG 15 -8.835 24.233 -4.236 118 1HG ARG 15 HG2 ARG 15 -7.624 24.160 -2.323 119 2HG ARG 15 HG3 ARG 15 -8.140 22.529 -1.873 120 1HD ARG 15 HD2 ARG 15 -6.137 23.106 -4.107 121 2HD ARG 15 HD3 ARG 15 -5.729 22.615 -2.463 122 HE ARG 15 HE ARG 15 -6.905 20.514 -2.796 123 1HH1 ARG 15 1HH1 ARG 15 -7.105 18.818 -5.730 124 2HH1 ARG 15 2HH1 ARG 15 -7.393 18.833 -3.978 125 1HH2 ARG 15 1HH2 ARG 15 -6.340 22.168 -5.825 126 2HH2 ARG 15 2HH2 ARG 15 -7.036 20.871 -6.726 127 H ALA 16 H ALA 16 -10.821 25.384 -3.810 128 HA ALA 16 HA ALA 16 -13.025 24.739 -5.735 129 1HB ALA 16 HB1 ALA 16 -12.215 27.348 -4.375 130 2HB ALA 16 HB2 ALA 16 -13.548 27.143 -5.526 131 3HB ALA 16 HB3 ALA 16 -13.620 26.319 -3.966 132 H ARG 17 H ARG 17 -12.525 24.791 -7.837 133 HA ARG 17 HA ARG 17 -9.836 25.345 -8.769 134 1HB ARG 17 HB2 ARG 17 -11.402 23.648 -9.708 135 2HB ARG 17 HB3 ARG 17 -12.379 24.938 -10.421 136 1HG ARG 17 HG2 ARG 17 -10.521 25.632 -11.854 137 2HG ARG 17 HG3 ARG 17 -9.448 24.475 -11.075 138 1HD ARG 17 HD2 ARG 17 -11.936 23.816 -12.698 139 2HD ARG 17 HD3 ARG 17 -10.302 23.829 -13.347 140 HE ARG 17 HE ARG 17 -11.529 21.657 -11.872 141 1HH1 ARG 17 1HH1 ARG 17 -8.729 19.743 -11.719 142 2HH1 ARG 17 2HH1 ARG 17 -10.490 19.829 -11.705 143 1HH2 ARG 17 1HH2 ARG 17 -7.553 21.596 -12.119 144 2HH2 ARG 17 2HH2 ARG 17 -8.368 23.120 -12.420 145 H GLN 18 H GLN 18 -12.434 27.369 -8.216 146 HA GLN 18 HA GLN 18 -11.197 29.838 -9.150 147 1HB GLN 18 HB2 GLN 18 -12.933 30.476 -10.643 148 2HB GLN 18 HB3 GLN 18 -12.313 28.933 -11.196 149 1HG GLN 18 HG2 GLN 18 -14.936 29.415 -9.693 150 2HG GLN 18 HG3 GLN 18 -14.758 29.123 -11.413 151 1HE2 GLN 18 1HE2 GLN 18 -14.685 25.920 -8.864 152 2HE2 GLN 18 2HE2 GLN 18 -14.541 27.554 -8.211 153 H SER 19 H SER 19 -12.297 31.700 -8.144 154 HA SER 19 HA SER 19 -13.662 30.956 -5.635 155 1HB SER 19 HB2 SER 19 -12.941 33.716 -6.693 156 2HB SER 19 HB3 SER 19 -13.333 33.275 -5.016 157 HG SER 19 HG SER 19 -11.442 31.969 -4.988 158 H THR 20 H THR 20 -14.614 32.405 -8.654 159 HA THR 20 HA THR 20 -17.485 32.601 -7.878 160 HB THR 20 HB THR 20 -15.943 34.980 -9.008 161 HG1 THR 20 HG1 THR 20 -16.326 35.936 -6.988 162 1HG2 THR 20 1HG2 THR 20 -18.826 34.649 -8.010 163 2HG2 THR 20 2HG2 THR 20 -18.076 36.220 -8.367 164 3HG2 THR 20 3HG2 THR 20 -18.309 35.059 -9.675 165 H MET 21 H MET 21 -18.750 32.169 -9.488 166 HA MET 21 HA MET 21 -17.760 32.130 -12.338 167 1HB MET 21 HB2 MET 21 -19.507 30.155 -10.815 168 2HB MET 21 HB3 MET 21 -19.583 30.265 -12.558 169 1HG MET 21 HG2 MET 21 -17.048 29.736 -10.989 170 2HG MET 21 HG3 MET 21 -18.029 28.510 -11.771 171 1HE MET 21 HE1 MET 21 -18.379 28.319 -14.426 172 2HE MET 21 HE2 MET 21 -18.700 30.062 -14.689 173 3HE MET 21 HE3 MET 21 -17.455 29.225 -15.615 174 H ASN 22 H ASN 22 -19.592 32.219 -13.881 175 HA ASN 22 HA ASN 22 -22.044 33.640 -13.151 176 1HB ASN 22 HB2 ASN 22 -21.514 35.679 -14.382 177 2HB ASN 22 HB3 ASN 22 -20.392 35.486 -13.052 178 1HD2 ASN 22 1HD2 ASN 22 -19.008 35.448 -16.882 179 2HD2 ASN 22 2HD2 ASN 22 -20.719 35.534 -16.564 180 H ALA 23 H ALA 23 -23.347 34.107 -15.176 181 HA ALA 23 HA ALA 23 -22.692 32.738 -17.685 182 1HB ALA 23 HB1 ALA 23 -24.732 31.581 -15.735 183 2HB ALA 23 HB2 ALA 23 -24.466 31.009 -17.409 184 3HB ALA 23 HB3 ALA 23 -23.198 30.799 -16.193 185 H THR 24 H THR 24 -24.278 33.013 -19.287 186 HA THR 24 HA THR 24 -26.149 35.262 -18.818 187 HB THR 24 HB THR 24 -25.523 34.035 -21.499 188 HG1 THR 24 HG1 THR 24 -23.981 35.652 -21.686 189 1HG2 THR 24 1HG2 THR 24 -27.462 35.559 -21.392 190 2HG2 THR 24 2HG2 THR 24 -26.457 36.802 -20.581 191 3HG2 THR 24 3HG2 THR 24 -26.121 36.309 -22.252 192 H ALA 25 H ALA 25 -28.058 34.563 -18.072 193 HA ALA 25 HA ALA 25 -29.116 31.957 -18.437 194 1HB ALA 25 HB1 ALA 25 -30.232 34.524 -17.312 195 2HB ALA 25 HB2 ALA 25 -31.135 33.016 -17.288 196 3HB ALA 25 HB3 ALA 25 -29.595 33.120 -16.454 197 H ASN 26 H ASN 26 -31.007 31.260 -19.370 198 HA ASN 26 HA ASN 26 -32.755 31.015 -20.695 199 1HB ASN 26 HB2 ASN 26 -33.282 33.293 -19.578 200 2HB ASN 26 HB3 ASN 26 -32.938 34.001 -21.149 201 1HD2 ASN 26 1HD2 ASN 26 -36.274 31.636 -20.616 202 2HD2 ASN 26 2HD2 ASN 26 -34.859 31.429 -19.549 203 H LEU 27 H LEU 27 -29.932 32.045 -21.991 204 HA LEU 27 HA LEU 27 -30.682 31.856 -24.836 205 1HB LEU 27 HB2 LEU 27 -27.938 31.981 -23.488 206 2HB LEU 27 HB3 LEU 27 -28.250 32.082 -25.218 207 HG LEU 27 HG LEU 27 -29.089 34.133 -23.145 208 1HD1 LEU 27 1HD1 LEU 27 -27.449 35.554 -24.288 209 2HD1 LEU 27 2HD1 LEU 27 -26.695 34.087 -23.639 210 3HD1 LEU 27 3HD1 LEU 27 -27.044 34.217 -25.367 211 1HD2 LEU 27 1HD2 LEU 27 -29.506 34.099 -26.152 212 2HD2 LEU 27 2HD2 LEU 27 -30.785 34.117 -24.904 213 3HD2 LEU 27 3HD2 LEU 27 -29.734 35.534 -25.110 214 H SER 28 H SER 28 -30.465 29.612 -22.462 215 HA SER 28 HA SER 28 -30.214 27.356 -22.315 216 1HB SER 28 HB2 SER 28 -30.590 27.417 -25.335 217 2HB SER 28 HB3 SER 28 -30.660 25.975 -24.335 218 HG SER 28 HG SER 28 -32.356 28.242 -24.164 219 H GLN 29 H GLN 29 -27.767 29.006 -22.656 220 HA GLN 29 HA GLN 29 -25.840 27.367 -24.089 221 1HB GLN 29 HB2 GLN 29 -24.212 28.984 -23.374 222 2HB GLN 29 HB3 GLN 29 -25.647 29.779 -24.007 223 1HG GLN 29 HG2 GLN 29 -26.396 30.307 -21.684 224 2HG GLN 29 HG3 GLN 29 -24.976 29.470 -21.039 225 1HE2 GLN 29 1HE2 GLN 29 -23.115 32.480 -21.235 226 2HE2 GLN 29 2HE2 GLN 29 -23.550 31.050 -20.286 227 H SER 30 H SER 30 -23.700 26.858 -22.896 228 HA SER 30 HA SER 30 -24.333 25.213 -20.464 229 1HB SER 30 HB2 SER 30 -22.528 24.489 -22.810 230 2HB SER 30 HB3 SER 30 -22.855 23.507 -21.374 231 HG SER 30 HG SER 30 -24.118 22.890 -23.200 232 H VAL 31 H VAL 31 -22.707 24.916 -18.990 233 HA VAL 31 HA VAL 31 -20.237 26.587 -19.188 234 HB VAL 31 HB VAL 31 -22.332 26.935 -17.001 235 1HG1 VAL 31 1HG1 VAL 31 -20.895 28.824 -16.224 236 2HG1 VAL 31 2HG1 VAL 31 -20.136 27.258 -16.027 237 3HG1 VAL 31 3HG1 VAL 31 -19.651 28.323 -17.390 238 1HG2 VAL 31 1HG2 VAL 31 -21.501 28.870 -19.184 239 2HG2 VAL 31 2HG2 VAL 31 -23.096 28.125 -18.954 240 3HG2 VAL 31 3HG2 VAL 31 -22.477 29.291 -17.780 241 H THR 32 H THR 32 -18.533 25.817 -17.999 242 HA THR 32 HA THR 32 -19.028 23.456 -16.237 243 HB THR 32 HB THR 32 -16.415 24.237 -17.522 244 HG1 THR 32 HG1 THR 32 -16.841 22.604 -18.998 245 1HG2 THR 32 1HG2 THR 32 -17.364 21.640 -16.172 246 2HG2 THR 32 2HG2 THR 32 -15.843 21.787 -17.074 247 3HG2 THR 32 3HG2 THR 32 -16.085 22.716 -15.576 248 H LEU 33 H LEU 33 -18.226 23.395 -14.175 249 HA LEU 33 HA LEU 33 -16.236 25.319 -13.224 250 1HB LEU 33 HB2 LEU 33 -17.555 26.212 -11.374 251 2HB LEU 33 HB3 LEU 33 -18.162 26.675 -12.922 252 HG LEU 33 HG LEU 33 -20.028 24.951 -12.687 253 1HD1 LEU 33 1HD1 LEU 33 -19.200 23.443 -11.006 254 2HD1 LEU 33 2HD1 LEU 33 -18.912 24.778 -9.873 255 3HD1 LEU 33 3HD1 LEU 33 -20.564 24.305 -10.318 256 1HD2 LEU 33 1HD2 LEU 33 -20.322 27.364 -12.230 257 2HD2 LEU 33 2HD2 LEU 33 -21.335 26.374 -11.161 258 3HD2 LEU 33 3HD2 LEU 33 -19.825 27.083 -10.531 259 H ALA 34 H ALA 34 -15.663 24.787 -10.806 260 HA ALA 34 HA ALA 34 -16.115 21.920 -10.211 261 1HB ALA 34 HB1 ALA 34 -14.512 21.924 -12.084 262 2HB ALA 34 HB2 ALA 34 -13.444 22.996 -11.143 263 3HB ALA 34 HB3 ALA 34 -13.761 21.357 -10.566 264 H CYS 35 H CYS 35 -15.562 21.148 -8.372 265 HA CYS 35 HA CYS 35 -14.010 22.683 -6.332 266 1HB CYS 35 HB2 CYS 35 -16.558 21.047 -6.067 267 2HB CYS 35 HB3 CYS 35 -15.371 21.038 -4.775 268 H ASP 36 H ASP 36 -12.058 21.697 -7.141 269 HA ASP 36 HA ASP 36 -12.127 18.927 -7.965 270 1HB ASP 36 HB2 ASP 36 -9.928 19.246 -8.808 271 2HB ASP 36 HB3 ASP 36 -10.980 20.562 -9.315 272 H ALA 37 H ALA 37 -12.048 17.345 -6.698 273 HA ALA 37 HA ALA 37 -10.545 17.436 -4.128 274 1HB ALA 37 HB1 ALA 37 -12.887 16.631 -4.102 275 2HB ALA 37 HB2 ALA 37 -12.477 15.382 -5.284 276 3HB ALA 37 HB3 ALA 37 -11.761 15.335 -3.653 277 H ASP 38 H ASP 38 -8.819 16.137 -3.719 278 HA ASP 38 HA ASP 38 -7.822 14.185 -5.742 279 1HB ASP 38 HB2 ASP 38 -6.300 16.557 -4.593 280 2HB ASP 38 HB3 ASP 38 -5.478 15.139 -5.273 281 H GLY 39 H GLY 39 -6.764 12.488 -4.836 282 1HA GLY 39 HA2 GLY 39 -5.587 12.135 -2.336 283 2HA GLY 39 HA3 GLY 39 -7.308 11.784 -2.105 284 H PHE 40 H PHE 40 -6.117 9.598 -1.594 285 HA PHE 40 HA PHE 40 -6.682 7.944 -3.938 286 1HB PHE 40 HB2 PHE 40 -4.307 8.441 -4.172 287 2HB PHE 40 HB3 PHE 40 -3.978 7.700 -2.611 288 HD1 PHE 40 HD1 PHE 40 -4.906 7.105 -6.139 289 HD2 PHE 40 HD2 PHE 40 -4.120 5.231 -2.347 290 HE1 PHE 40 HE1 PHE 40 -4.802 4.889 -7.253 291 HE2 PHE 40 HE2 PHE 40 -3.992 3.003 -3.471 292 HZ PHE 40 HZ PHE 40 -4.364 2.840 -5.932 293 HA PRO 41 HA PRO 41 -7.516 6.025 -4.427 294 1HB PRO 41 HB2 PRO 41 -9.878 4.749 -4.189 295 2HB PRO 41 HB3 PRO 41 -8.333 3.944 -3.800 296 1HG PRO 41 HG2 PRO 41 -10.285 5.291 -1.850 297 2HG PRO 41 HG3 PRO 41 -9.589 3.629 -1.739 298 1HD PRO 41 HD2 PRO 41 -8.501 5.805 -0.455 299 2HD PRO 41 HD3 PRO 41 -7.486 4.477 -1.094 300 H GLU 42 H GLU 42 -9.163 6.904 -5.827 301 HA GLU 42 HA GLU 42 -9.923 9.444 -5.885 302 1HB GLU 42 HB2 GLU 42 -11.815 7.190 -6.622 303 2HB GLU 42 HB3 GLU 42 -11.938 8.887 -7.090 304 1HG GLU 42 HG2 GLU 42 -10.983 7.982 -8.948 305 2HG GLU 42 HG3 GLU 42 -9.566 8.619 -8.110 306 HA PRO 43 HA PRO 43 -11.941 9.996 -1.903 307 1HB PRO 43 HB2 PRO 43 -12.441 12.718 -3.161 308 2HB PRO 43 HB3 PRO 43 -12.049 12.302 -1.451 309 1HG PRO 43 HG2 PRO 43 -10.078 13.089 -3.156 310 2HG PRO 43 HG3 PRO 43 -9.792 11.705 -2.068 311 1HD PRO 43 HD2 PRO 43 -10.567 11.741 -4.992 312 2HD PRO 43 HD3 PRO 43 -9.378 10.701 -4.164 313 H THR 44 H THR 44 -13.994 10.324 -0.945 314 HA THR 44 HA THR 44 -16.391 10.125 -2.747 315 HB THR 44 HB THR 44 -16.087 9.847 0.271 316 HG1 THR 44 HG1 THR 44 -15.218 8.162 -0.924 317 1HG2 THR 44 1HG2 THR 44 -18.494 9.402 -1.524 318 2HG2 THR 44 2HG2 THR 44 -18.372 8.861 0.178 319 3HG2 THR 44 3HG2 THR 44 -18.364 10.574 -0.201 320 H MET 45 H MET 45 -17.368 12.058 -3.288 321 HA MET 45 HA MET 45 -17.137 14.341 -1.383 322 1HB MET 45 HB2 MET 45 -16.310 15.828 -3.027 323 2HB MET 45 HB3 MET 45 -15.273 14.439 -2.997 324 1HG MET 45 HG2 MET 45 -15.457 14.645 -5.264 325 2HG MET 45 HG3 MET 45 -16.852 13.604 -4.968 326 1HE MET 45 HE1 MET 45 -16.810 18.095 -6.024 327 2HE MET 45 HE2 MET 45 -16.103 17.483 -4.531 328 3HE MET 45 HE3 MET 45 -15.453 16.969 -6.116 329 H THR 46 H THR 46 -18.604 16.006 -1.586 330 HA THR 46 HA THR 46 -20.934 15.806 -3.396 331 HB THR 46 HB THR 46 -22.584 15.960 -1.563 332 HG1 THR 46 HG1 THR 46 -21.960 15.249 0.501 333 1HG2 THR 46 1HG2 THR 46 -21.065 13.341 -1.407 334 2HG2 THR 46 2HG2 THR 46 -22.782 13.633 -1.017 335 3HG2 THR 46 3HG2 THR 46 -22.203 13.783 -2.681 336 H TRP 47 H TRP 47 -22.472 17.614 -3.018 337 HA TRP 47 HA TRP 47 -21.517 20.002 -1.732 338 1HB TRP 47 HB2 TRP 47 -21.063 21.300 -3.845 339 2HB TRP 47 HB3 TRP 47 -19.878 20.158 -3.283 340 HD1 TRP 47 HD1 TRP 47 -21.027 17.588 -5.091 341 HE1 TRP 47 HE1 TRP 47 -19.925 17.533 -7.404 342 HE3 TRP 47 HE3 TRP 47 -19.784 22.510 -5.524 343 HZ2 TRP 47 HZ2 TRP 47 -18.628 19.399 -9.189 344 HZ3 TRP 47 HZ3 TRP 47 -18.793 23.397 -7.609 345 HH2 TRP 47 HH2 TRP 47 -18.277 21.806 -9.489 346 H THR 48 H THR 48 -22.762 22.000 -2.456 347 HA THR 48 HA THR 48 -25.586 21.164 -2.997 348 HB THR 48 HB THR 48 -26.368 22.568 -1.192 349 HG1 THR 48 HG1 THR 48 -24.815 23.451 0.230 350 1HG2 THR 48 1HG2 THR 48 -25.702 20.198 -0.635 351 2HG2 THR 48 2HG2 THR 48 -24.135 20.813 -0.073 352 3HG2 THR 48 3HG2 THR 48 -25.619 21.303 0.748 353 H LYS 49 H LYS 49 -27.082 22.667 -3.549 354 HA LYS 49 HA LYS 49 -26.144 24.866 -5.339 355 1HB LYS 49 HB2 LYS 49 -27.554 22.783 -6.035 356 2HB LYS 49 HB3 LYS 49 -28.857 23.500 -5.130 357 1HG LYS 49 HG2 LYS 49 -29.316 24.068 -7.331 358 2HG LYS 49 HG3 LYS 49 -28.624 25.551 -6.668 359 1HD LYS 49 HD2 LYS 49 -26.470 25.048 -7.807 360 2HD LYS 49 HD3 LYS 49 -27.100 23.468 -8.351 361 1HE LYS 49 HE2 LYS 49 -28.996 24.758 -9.467 362 2HE LYS 49 HE3 LYS 49 -28.080 26.235 -9.147 363 1HZ LYS 49 HZ1 LYS 49 -27.070 23.905 -10.710 364 2HZ LYS 49 HZ2 LYS 49 -27.684 25.238 -11.392 365 3HZ LYS 49 HZ3 LYS 49 -26.281 25.333 -10.540 366 H ASP 50 H ASP 50 -25.868 25.743 -2.912 367 HA ASP 50 HA ASP 50 -26.378 27.326 -1.401 368 1HB ASP 50 HB2 ASP 50 -27.450 28.588 -3.272 369 2HB ASP 50 HB3 ASP 50 -29.018 27.968 -2.748 370 H GLY 51 H GLY 51 -27.972 24.468 -1.643 371 1HA GLY 51 HA2 GLY 51 -28.316 24.126 1.100 372 2HA GLY 51 HA3 GLY 51 -29.882 24.708 0.555 373 H GLU 52 H GLU 52 -29.713 23.257 -2.077 374 HA GLU 52 HA GLU 52 -30.391 20.525 -1.102 375 1HB GLU 52 HB2 GLU 52 -31.641 20.252 -3.154 376 2HB GLU 52 HB3 GLU 52 -32.163 21.673 -2.285 377 1HG GLU 52 HG2 GLU 52 -30.833 23.114 -3.830 378 2HG GLU 52 HG3 GLU 52 -30.352 21.664 -4.729 379 HA PRO 53 HA PRO 53 -26.730 18.992 -2.649 380 1HB PRO 53 HB2 PRO 53 -27.131 16.322 -3.065 381 2HB PRO 53 HB3 PRO 53 -27.285 17.100 -1.450 382 1HG PRO 53 HG2 PRO 53 -29.509 16.487 -3.440 383 2HG PRO 53 HG3 PRO 53 -29.432 16.054 -1.697 384 1HD PRO 53 HD2 PRO 53 -30.739 18.273 -2.589 385 2HD PRO 53 HD3 PRO 53 -29.801 18.297 -1.067 386 H ILE 54 H ILE 54 -25.448 18.928 -4.317 387 HA ILE 54 HA ILE 54 -26.285 18.140 -7.049 388 HB ILE 54 HB ILE 54 -23.748 19.602 -6.144 389 1HG1 ILE 54 2HG1 ILE 54 -26.277 20.931 -7.229 390 2HG1 ILE 54 3HG1 ILE 54 -25.823 20.941 -5.518 391 1HG2 ILE 54 1HG2 ILE 54 -25.064 19.645 -8.883 392 2HG2 ILE 54 2HG2 ILE 54 -23.474 20.284 -8.437 393 3HG2 ILE 54 3HG2 ILE 54 -23.728 18.572 -8.504 394 1HD1 ILE 54 1HD1 ILE 54 -24.215 22.226 -7.712 395 2HD1 ILE 54 2HD1 ILE 54 -25.133 23.033 -6.437 396 3HD1 ILE 54 3HD1 ILE 54 -23.734 22.067 -5.999 397 H GLU 55 H GLU 55 -26.070 16.100 -5.182 398 HA GLU 55 HA GLU 55 -23.390 15.024 -5.037 399 1HB GLU 55 HB2 GLU 55 -24.355 13.193 -3.852 400 2HB GLU 55 HB3 GLU 55 -24.976 14.738 -3.238 401 1HG GLU 55 HG2 GLU 55 -27.097 14.334 -4.490 402 2HG GLU 55 HG3 GLU 55 -26.474 12.773 -4.997 403 H GLN 56 H GLN 56 -22.398 13.402 -6.069 404 HA GLN 56 HA GLN 56 -23.015 13.126 -8.783 405 1HB GLN 56 HB2 GLN 56 -20.849 11.860 -7.016 406 2HB GLN 56 HB3 GLN 56 -20.886 11.774 -8.779 407 1HG GLN 56 HG2 GLN 56 -20.937 14.284 -8.873 408 2HG GLN 56 HG3 GLN 56 -20.576 14.324 -7.134 409 1HE2 GLN 56 1HE2 GLN 56 -17.473 14.157 -9.545 410 2HE2 GLN 56 2HE2 GLN 56 -19.006 14.957 -9.835 411 H GLU 57 H GLU 57 -24.517 11.407 -6.466 412 HA GLU 57 HA GLU 57 -24.703 8.846 -8.030 413 1HB GLU 57 HB2 GLU 57 -25.129 9.419 -5.084 414 2HB GLU 57 HB3 GLU 57 -25.385 7.859 -5.883 415 1HG GLU 57 HG2 GLU 57 -23.008 7.858 -6.622 416 2HG GLU 57 HG3 GLU 57 -22.733 9.358 -5.692 417 H ASP 58 H ASP 58 -26.559 11.640 -7.318 418 HA ASP 58 HA ASP 58 -29.082 10.215 -8.019 419 1HB ASP 58 HB2 ASP 58 -28.626 10.034 -5.530 420 2HB ASP 58 HB3 ASP 58 -28.752 11.791 -5.426 421 H ASN 59 H ASN 59 -27.254 13.008 -8.457 422 HA ASN 59 HA ASN 59 -29.661 14.576 -9.294 423 1HB ASN 59 HB2 ASN 59 -27.392 15.525 -7.513 424 2HB ASN 59 HB3 ASN 59 -28.355 16.616 -8.500 425 1HD2 ASN 59 1HD2 ASN 59 -30.059 14.940 -5.191 426 2HD2 ASN 59 2HD2 ASN 59 -28.489 14.397 -5.739 427 H GLU 60 H GLU 60 -29.580 14.890 -11.359 428 HA GLU 60 HA GLU 60 -27.125 15.472 -12.890 429 1HB GLU 60 HB2 GLU 60 -27.631 12.929 -12.281 430 2HB GLU 60 HB3 GLU 60 -28.928 13.102 -13.476 431 1HG GLU 60 HG2 GLU 60 -27.127 13.813 -15.128 432 2HG GLU 60 HG3 GLU 60 -25.941 13.558 -13.845 433 H GLU 61 H GLU 61 -30.086 16.495 -12.352 434 HA GLU 61 HA GLU 61 -31.801 16.160 -14.463 435 1HB GLU 61 HB2 GLU 61 -31.459 18.707 -12.797 436 2HB GLU 61 HB3 GLU 61 -32.848 18.324 -13.819 437 1HG GLU 61 HG2 GLU 61 -33.167 16.201 -12.496 438 2HG GLU 61 HG3 GLU 61 -31.933 16.767 -11.378 439 H LYS 62 H LYS 62 -29.116 18.401 -14.637 440 HA LYS 62 HA LYS 62 -29.266 18.373 -17.524 441 1HB LYS 62 HB2 LYS 62 -29.411 20.781 -17.983 442 2HB LYS 62 HB3 LYS 62 -30.870 20.165 -17.217 443 1HG LYS 62 HG2 LYS 62 -30.032 21.094 -15.001 444 2HG LYS 62 HG3 LYS 62 -28.700 21.824 -15.893 445 1HD LYS 62 HD2 LYS 62 -30.493 22.986 -17.341 446 2HD LYS 62 HD3 LYS 62 -31.673 22.403 -16.132 447 1HE LYS 62 HE2 LYS 62 -30.416 23.546 -14.339 448 2HE LYS 62 HE3 LYS 62 -29.189 24.058 -15.506 449 1HZ LYS 62 HZ1 LYS 62 -32.012 24.949 -15.495 450 2HZ LYS 62 HZ2 LYS 62 -30.650 25.868 -15.195 451 3HZ LYS 62 HZ3 LYS 62 -30.931 25.274 -16.708 452 H TYR 63 H TYR 63 -27.380 17.297 -15.923 453 HA TYR 63 HA TYR 63 -24.980 18.771 -16.656 454 1HB TYR 63 HB2 TYR 63 -24.201 18.920 -14.208 455 2HB TYR 63 HB3 TYR 63 -25.271 20.128 -14.859 456 HD1 TYR 63 HD1 TYR 63 -27.495 20.455 -14.087 457 HD2 TYR 63 HD2 TYR 63 -25.007 17.375 -12.417 458 HE1 TYR 63 HE1 TYR 63 -29.065 20.264 -12.176 459 HE2 TYR 63 HE2 TYR 63 -26.494 17.267 -10.439 460 HH TYR 63 HH TYR 63 -29.474 19.243 -10.125 461 H SER 64 H SER 64 -23.001 17.853 -16.149 462 HA SER 64 HA SER 64 -22.885 15.012 -15.338 463 1HB SER 64 HB2 SER 64 -21.624 14.376 -17.371 464 2HB SER 64 HB3 SER 64 -23.300 14.775 -17.698 465 HG SER 64 HG SER 64 -21.995 15.758 -19.242 466 H PHE 65 H PHE 65 -20.877 14.347 -14.585 467 HA PHE 65 HA PHE 65 -18.616 16.264 -14.380 468 1HB PHE 65 HB2 PHE 65 -19.004 15.822 -11.890 469 2HB PHE 65 HB3 PHE 65 -20.241 16.693 -12.814 470 HD1 PHE 65 HD1 PHE 65 -19.518 13.049 -11.882 471 HD2 PHE 65 HD2 PHE 65 -22.467 16.192 -12.310 472 HE1 PHE 65 HE1 PHE 65 -21.332 11.462 -11.328 473 HE2 PHE 65 HE2 PHE 65 -24.231 14.616 -11.682 474 HZ PHE 65 HZ PHE 65 -23.687 12.249 -11.226 475 H ASN 66 H ASN 66 -17.109 15.021 -12.534 476 HA ASN 66 HA ASN 66 -16.683 12.196 -13.237 477 1HB ASN 66 HB2 ASN 66 -14.617 12.404 -14.278 478 2HB ASN 66 HB3 ASN 66 -15.462 13.815 -14.924 479 1HD2 ASN 66 1HD2 ASN 66 -13.356 16.145 -13.247 480 2HD2 ASN 66 2HD2 ASN 66 -15.046 15.959 -13.693 481 H TYR 67 H TYR 67 -14.646 11.324 -12.057 482 HA TYR 67 HA TYR 67 -14.976 12.027 -9.170 483 1HB TYR 67 HB2 TYR 67 -14.016 9.462 -10.441 484 2HB TYR 67 HB3 TYR 67 -14.381 9.729 -8.761 485 HD1 TYR 67 HD1 TYR 67 -16.832 10.592 -8.226 486 HD2 TYR 67 HD2 TYR 67 -15.689 8.578 -11.861 487 HE1 TYR 67 HE1 TYR 67 -19.206 9.910 -8.586 488 HE2 TYR 67 HE2 TYR 67 -18.069 7.905 -12.215 489 HH TYR 67 HH TYR 67 -20.679 8.874 -10.004 490 H ASP 68 H ASP 68 -12.579 12.520 -11.523 491 HA ASP 68 HA ASP 68 -10.255 12.148 -9.701 492 1HB ASP 68 HB2 ASP 68 -10.351 11.098 -12.024 493 2HB ASP 68 HB3 ASP 68 -10.284 12.733 -12.676 494 H GLY 69 H GLY 69 -12.343 14.392 -9.858 495 1HA GLY 69 HA2 GLY 69 -10.838 16.576 -8.844 496 2HA GLY 69 HA3 GLY 69 -11.253 16.894 -10.539 497 H SER 70 H SER 70 -13.367 17.086 -11.124 498 HA SER 70 HA SER 70 -15.688 16.237 -9.821 499 1HB SER 70 HB2 SER 70 -16.759 18.295 -9.089 500 2HB SER 70 HB3 SER 70 -15.384 17.920 -8.089 501 HG SER 70 HG SER 70 -14.147 19.411 -9.281 502 H GLU 71 H GLU 71 -14.323 18.880 -11.713 503 HA GLU 71 HA GLU 71 -15.383 20.304 -13.258 504 1HB GLU 71 HB2 GLU 71 -14.558 17.815 -14.756 505 2HB GLU 71 HB3 GLU 71 -14.873 19.385 -15.495 506 1HG GLU 71 HG2 GLU 71 -12.479 19.065 -15.199 507 2HG GLU 71 HG3 GLU 71 -13.073 20.434 -14.253 508 H LEU 72 H LEU 72 -17.452 20.465 -12.419 509 HA LEU 72 HA LEU 72 -19.618 18.783 -13.483 510 1HB LEU 72 HB2 LEU 72 -19.676 19.468 -11.153 511 2HB LEU 72 HB3 LEU 72 -19.470 21.155 -11.587 512 HG LEU 72 HG LEU 72 -21.709 21.087 -12.756 513 1HD1 LEU 72 1HD1 LEU 72 -21.952 18.686 -13.189 514 2HD1 LEU 72 2HD1 LEU 72 -21.851 18.347 -11.429 515 3HD1 LEU 72 3HD1 LEU 72 -23.238 19.227 -12.065 516 1HD2 LEU 72 1HD2 LEU 72 -21.412 21.971 -10.492 517 2HD2 LEU 72 2HD2 LEU 72 -22.996 21.156 -10.661 518 3HD2 LEU 72 3HD2 LEU 72 -21.659 20.350 -9.813 519 H ILE 73 H ILE 73 -20.250 19.119 -15.432 520 HA ILE 73 HA ILE 73 -20.277 21.769 -16.749 521 HB ILE 73 HB ILE 73 -20.913 19.055 -17.923 522 1HG1 ILE 73 2HG1 ILE 73 -18.182 20.279 -18.420 523 2HG1 ILE 73 3HG1 ILE 73 -18.391 19.376 -16.917 524 1HG2 ILE 73 1HG2 ILE 73 -21.686 20.998 -19.200 525 2HG2 ILE 73 2HG2 ILE 73 -20.067 21.735 -19.114 526 3HG2 ILE 73 3HG2 ILE 73 -20.329 20.247 -20.077 527 1HD1 ILE 73 1HD1 ILE 73 -17.553 17.935 -18.653 528 2HD1 ILE 73 2HD1 ILE 73 -19.168 17.436 -18.070 529 3HD1 ILE 73 3HD1 ILE 73 -19.008 18.234 -19.650 530 H ILE 74 H ILE 74 -22.132 22.832 -16.869 531 HA ILE 74 HA ILE 74 -24.747 21.409 -16.431 532 HB ILE 74 HB ILE 74 -24.049 24.315 -15.808 533 1HG1 ILE 74 2HG1 ILE 74 -24.505 22.021 -13.814 534 2HG1 ILE 74 3HG1 ILE 74 -22.913 22.645 -14.252 535 1HG2 ILE 74 1HG2 ILE 74 -26.428 23.923 -16.410 536 2HG2 ILE 74 2HG2 ILE 74 -26.535 22.641 -15.189 537 3HG2 ILE 74 3HG2 ILE 74 -26.299 24.332 -14.714 538 1HD1 ILE 74 1HD1 ILE 74 -23.554 24.911 -13.468 539 2HD1 ILE 74 2HD1 ILE 74 -25.051 24.200 -12.814 540 3HD1 ILE 74 3HD1 ILE 74 -23.468 23.636 -12.230 541 H LYS 75 H LYS 75 -26.028 21.364 -18.158 542 HA LYS 75 HA LYS 75 -25.575 23.331 -20.351 543 1HB LYS 75 HB2 LYS 75 -26.631 21.854 -21.843 544 2HB LYS 75 HB3 LYS 75 -25.371 20.969 -20.989 545 1HG LYS 75 HG2 LYS 75 -27.270 20.109 -19.440 546 2HG LYS 75 HG3 LYS 75 -28.406 20.761 -20.612 547 1HD LYS 75 HD2 LYS 75 -26.270 18.655 -21.119 548 2HD LYS 75 HD3 LYS 75 -27.982 18.352 -20.969 549 1HE LYS 75 HE2 LYS 75 -26.690 20.034 -23.184 550 2HE LYS 75 HE3 LYS 75 -27.120 18.322 -23.328 551 1HZ LYS 75 HZ1 LYS 75 -28.846 19.735 -24.237 552 2HZ LYS 75 HZ2 LYS 75 -29.429 18.912 -22.954 553 3HZ LYS 75 HZ3 LYS 75 -29.090 20.505 -22.815 554 H LYS 76 H LYS 76 -27.302 24.359 -21.224 555 HA LYS 76 HA LYS 76 -29.216 25.624 -21.287 556 1HB LYS 76 HB2 LYS 76 -30.177 23.365 -21.666 557 2HB LYS 76 HB3 LYS 76 -30.514 23.222 -19.946 558 1HG LYS 76 HG2 LYS 76 -32.140 25.034 -20.061 559 2HG LYS 76 HG3 LYS 76 -31.576 25.484 -21.669 560 1HD LYS 76 HD2 LYS 76 -32.392 23.306 -22.548 561 2HD LYS 76 HD3 LYS 76 -32.999 22.899 -20.919 562 1HE LYS 76 HE2 LYS 76 -34.457 24.906 -20.992 563 2HE LYS 76 HE3 LYS 76 -33.811 25.333 -22.592 564 1HZ LYS 76 HZ1 LYS 76 -35.334 22.830 -21.988 565 2HZ LYS 76 HZ2 LYS 76 -35.966 24.127 -22.715 566 3HZ LYS 76 HZ3 LYS 76 -34.801 23.277 -23.469 567 H VAL 77 H VAL 77 -27.701 26.744 -19.669 568 HA VAL 77 HA VAL 77 -28.573 26.872 -16.919 569 HB VAL 77 HB VAL 77 -26.681 28.626 -18.513 570 1HG1 VAL 77 1HG1 VAL 77 -27.373 29.916 -16.566 571 2HG1 VAL 77 2HG1 VAL 77 -27.148 28.516 -15.498 572 3HG1 VAL 77 3HG1 VAL 77 -25.747 29.247 -16.282 573 1HG2 VAL 77 1HG2 VAL 77 -26.179 26.380 -16.548 574 2HG2 VAL 77 2HG2 VAL 77 -25.935 26.269 -18.301 575 3HG2 VAL 77 3HG2 VAL 77 -24.929 27.353 -17.328 576 H ASP 78 H ASP 78 -29.688 28.432 -15.804 577 HA ASP 78 HA ASP 78 -30.673 30.871 -17.115 578 1HB ASP 78 HB2 ASP 78 -32.404 28.833 -17.240 579 2HB ASP 78 HB3 ASP 78 -32.738 29.358 -15.598 580 H LYS 79 H LYS 79 -32.081 32.089 -15.150 581 HA LYS 79 HA LYS 79 -30.118 32.434 -12.997 582 1HB LYS 79 HB2 LYS 79 -32.760 33.758 -13.612 583 2HB LYS 79 HB3 LYS 79 -31.969 34.009 -12.070 584 1HG LYS 79 HG2 LYS 79 -29.850 34.698 -13.300 585 2HG LYS 79 HG3 LYS 79 -30.750 34.623 -14.809 586 1HD LYS 79 HD2 LYS 79 -30.681 36.909 -14.125 587 2HD LYS 79 HD3 LYS 79 -32.335 36.316 -13.999 588 1HE LYS 79 HE2 LYS 79 -31.833 37.772 -12.166 589 2HE LYS 79 HE3 LYS 79 -32.103 36.155 -11.521 590 1HZ LYS 79 HZ1 LYS 79 -30.066 37.589 -10.762 591 2HZ LYS 79 HZ2 LYS 79 -29.882 36.001 -10.887 592 3HZ LYS 79 HZ3 LYS 79 -29.322 36.941 -12.093 593 H SER 80 H SER 80 -32.523 30.128 -13.388 594 HA SER 80 HA SER 80 -33.089 29.626 -10.565 595 1HB SER 80 HB2 SER 80 -33.876 27.433 -11.447 596 2HB SER 80 HB3 SER 80 -34.648 28.835 -12.200 597 HG SER 80 HG SER 80 -33.965 27.271 -13.759 598 H ASP 81 H ASP 81 -30.282 29.235 -12.572 599 HA ASP 81 HA ASP 81 -29.100 27.112 -10.880 600 1HB ASP 81 HB2 ASP 81 -28.049 28.700 -13.244 601 2HB ASP 81 HB3 ASP 81 -27.103 27.538 -12.378 602 H GLU 82 H GLU 82 -29.440 30.479 -10.515 603 HA GLU 82 HA GLU 82 -26.901 31.260 -9.524 604 1HB GLU 82 HB2 GLU 82 -28.834 32.741 -10.098 605 2HB GLU 82 HB3 GLU 82 -29.670 32.211 -8.626 606 1HG GLU 82 HG2 GLU 82 -27.786 33.121 -7.245 607 2HG GLU 82 HG3 GLU 82 -27.004 33.677 -8.727 608 H ALA 83 H ALA 83 -25.793 30.501 -7.805 609 HA ALA 83 HA ALA 83 -27.105 29.414 -5.378 610 1HB ALA 83 HB1 ALA 83 -26.001 27.123 -5.874 611 2HB ALA 83 HB2 ALA 83 -27.306 27.570 -7.002 612 3HB ALA 83 HB3 ALA 83 -25.609 27.778 -7.473 613 H GLU 84 H GLU 84 -25.643 28.766 -3.728 614 HA GLU 84 HA GLU 84 -22.819 29.688 -3.979 615 1HB GLU 84 HB2 GLU 84 -24.172 30.830 -2.268 616 2HB GLU 84 HB3 GLU 84 -24.425 29.282 -1.446 617 1HG GLU 84 HG2 GLU 84 -21.974 29.064 -1.088 618 2HG GLU 84 HG3 GLU 84 -21.694 30.479 -2.074 619 H TYR 85 H TYR 85 -21.512 28.103 -4.421 620 HA TYR 85 HA TYR 85 -22.339 25.284 -4.175 621 1HB TYR 85 HB2 TYR 85 -20.263 26.752 -5.741 622 2HB TYR 85 HB3 TYR 85 -20.225 25.012 -5.581 623 HD1 TYR 85 HD1 TYR 85 -21.374 23.610 -7.052 624 HD2 TYR 85 HD2 TYR 85 -22.475 27.769 -6.768 625 HE1 TYR 85 HE1 TYR 85 -22.812 23.380 -9.044 626 HE2 TYR 85 HE2 TYR 85 -23.962 27.471 -8.768 627 HH TYR 85 HH TYR 85 -24.170 24.389 -10.501 628 H ILE 86 H ILE 86 -22.099 25.346 -1.810 629 HA ILE 86 HA ILE 86 -19.304 25.232 -0.778 630 HB ILE 86 HB ILE 86 -21.882 24.428 0.605 631 1HG1 ILE 86 2HG1 ILE 86 -20.234 27.006 0.881 632 2HG1 ILE 86 3HG1 ILE 86 -21.732 26.864 -0.001 633 1HG2 ILE 86 1HG2 ILE 86 -19.028 24.879 1.685 634 2HG2 ILE 86 2HG2 ILE 86 -20.469 24.486 2.668 635 3HG2 ILE 86 3HG2 ILE 86 -19.847 23.309 1.541 636 1HD1 ILE 86 1HD1 ILE 86 -21.395 26.557 2.974 637 2HD1 ILE 86 2HD1 ILE 86 -22.238 27.828 2.117 638 3HD1 ILE 86 3HD1 ILE 86 -22.901 26.180 2.069 639 H CYS 87 H CYS 87 -18.163 23.386 -0.556 640 HA CYS 87 HA CYS 87 -19.292 20.804 -1.415 641 1HB CYS 87 HB2 CYS 87 -17.474 20.621 -3.102 642 2HB CYS 87 HB3 CYS 87 -18.588 21.937 -3.424 643 H ILE 88 H ILE 88 -18.317 18.992 -0.784 644 HA ILE 88 HA ILE 88 -16.173 19.200 1.287 645 HB ILE 88 HB ILE 88 -18.849 17.730 1.504 646 1HG1 ILE 88 2HG1 ILE 88 -17.871 20.283 2.905 647 2HG1 ILE 88 3HG1 ILE 88 -19.221 20.162 1.767 648 1HG2 ILE 88 1HG2 ILE 88 -18.143 17.222 3.834 649 2HG2 ILE 88 2HG2 ILE 88 -16.990 16.577 2.711 650 3HG2 ILE 88 3HG2 ILE 88 -16.593 18.073 3.575 651 1HD1 ILE 88 1HD1 ILE 88 -20.409 18.685 3.395 652 2HD1 ILE 88 2HD1 ILE 88 -19.152 19.083 4.600 653 3HD1 ILE 88 3HD1 ILE 88 -20.155 20.363 3.919 654 H ALA 89 H ALA 89 -14.887 17.375 1.481 655 HA ALA 89 HA ALA 89 -15.528 14.978 -0.085 656 1HB ALA 89 HB1 ALA 89 -13.274 14.820 -0.995 657 2HB ALA 89 HB2 ALA 89 -14.016 16.362 -1.474 658 3HB ALA 89 HB3 ALA 89 -12.839 16.321 -0.141 659 H GLU 90 H GLU 90 -14.538 13.089 0.595 660 HA GLU 90 HA GLU 90 -13.350 13.008 3.339 661 1HB GLU 90 HB2 GLU 90 -15.937 13.136 3.369 662 2HB GLU 90 HB3 GLU 90 -15.923 11.560 2.565 663 1HG GLU 90 HG2 GLU 90 -14.583 10.644 4.507 664 2HG GLU 90 HG3 GLU 90 -14.741 12.210 5.298 665 H ASN 91 H ASN 91 -12.412 10.993 3.824 666 HA ASN 91 HA ASN 91 -12.510 8.739 1.960 667 1HB ASN 91 HB2 ASN 91 -10.546 10.647 1.463 668 2HB ASN 91 HB3 ASN 91 -9.671 9.540 2.521 669 1HD2 ASN 91 1HD2 ASN 91 -9.468 8.628 -1.195 670 2HD2 ASN 91 2HD2 ASN 91 -9.208 10.114 -0.292 671 H LYS 92 H LYS 92 -10.905 6.934 2.877 672 HA LYS 92 HA LYS 92 -11.411 6.421 5.640 673 1HB LYS 92 HB2 LYS 92 -10.031 4.538 5.404 674 2HB LYS 92 HB3 LYS 92 -10.749 4.739 3.825 675 1HG LYS 92 HG2 LYS 92 -7.891 5.466 4.620 676 2HG LYS 92 HG3 LYS 92 -8.429 4.026 3.750 677 1HD LYS 92 HD2 LYS 92 -9.142 5.371 1.809 678 2HD LYS 92 HD3 LYS 92 -8.713 6.868 2.661 679 1HE LYS 92 HE2 LYS 92 -6.971 6.319 1.090 680 2HE LYS 92 HE3 LYS 92 -6.351 6.224 2.738 681 1HZ LYS 92 HZ1 LYS 92 -6.468 3.835 2.656 682 2HZ LYS 92 HZ2 LYS 92 -7.238 3.825 1.199 683 3HZ LYS 92 HZ3 LYS 92 -5.680 4.311 1.293 684 H ALA 93 H ALA 93 -8.884 8.246 4.186 685 HA ALA 93 HA ALA 93 -7.222 8.364 6.633 686 1HB ALA 93 HB1 ALA 93 -6.739 9.385 3.804 687 2HB ALA 93 HB2 ALA 93 -5.551 9.309 5.100 688 3HB ALA 93 HB3 ALA 93 -6.221 7.801 4.419 689 H GLY 94 H GLY 94 -9.738 10.399 5.408 690 1HA GLY 94 HA2 GLY 94 -9.201 12.535 7.188 691 2HA GLY 94 HA3 GLY 94 -8.388 12.933 5.668 692 H GLU 95 H GLU 95 -9.784 14.770 5.789 693 HA GLU 95 HA GLU 95 -12.321 14.585 4.379 694 1HB GLU 95 HB2 GLU 95 -12.836 13.962 6.821 695 2HB GLU 95 HB3 GLU 95 -12.290 15.577 7.262 696 1HG GLU 95 HG2 GLU 95 -14.097 16.529 5.813 697 2HG GLU 95 HG3 GLU 95 -14.649 14.864 5.461 698 H GLN 96 H GLN 96 -12.848 16.703 3.505 699 HA GLN 96 HA GLN 96 -11.643 19.164 4.565 700 1HB GLN 96 HB2 GLN 96 -9.940 17.802 2.942 701 2HB GLN 96 HB3 GLN 96 -10.859 18.616 1.724 702 1HG GLN 96 HG2 GLN 96 -9.477 20.377 2.028 703 2HG GLN 96 HG3 GLN 96 -10.332 20.685 3.539 704 1HE2 GLN 96 1HE2 GLN 96 -7.579 18.826 5.324 705 2HE2 GLN 96 2HE2 GLN 96 -9.291 18.454 5.119 706 H ASP 97 H ASP 97 -12.116 21.097 2.959 707 HA ASP 97 HA ASP 97 -14.540 20.786 1.362 708 1HB ASP 97 HB2 ASP 97 -15.966 22.222 2.703 709 2HB ASP 97 HB3 ASP 97 -15.462 20.853 3.636 710 H ALA 98 H ALA 98 -15.202 22.648 0.199 711 HA ALA 98 HA ALA 98 -13.714 25.185 0.393 712 1HB ALA 98 HB1 ALA 98 -13.019 25.213 -1.904 713 2HB ALA 98 HB2 ALA 98 -12.422 23.720 -1.203 714 3HB ALA 98 HB3 ALA 98 -13.821 23.699 -2.285 715 H THR 99 H THR 99 -14.687 26.735 -1.497 716 HA THR 99 HA THR 99 -17.644 26.450 -1.738 717 HB THR 99 HB THR 99 -16.232 28.744 -0.365 718 HG1 THR 99 HG1 THR 99 -16.697 26.731 0.819 719 1HG2 THR 99 1HG2 THR 99 -18.147 29.680 -1.568 720 2HG2 THR 99 2HG2 THR 99 -19.196 28.324 -1.047 721 3HG2 THR 99 3HG2 THR 99 -18.597 29.533 0.116 722 H ILE 100 H ILE 100 -18.472 27.468 -3.499 723 HA ILE 100 HA ILE 100 -16.996 29.609 -4.916 724 HB ILE 100 HB ILE 100 -18.732 27.902 -6.633 725 1HG1 ILE 100 2HG1 ILE 100 -15.940 26.826 -6.171 726 2HG1 ILE 100 3HG1 ILE 100 -17.347 26.138 -5.370 727 1HG2 ILE 100 1HG2 ILE 100 -16.035 29.226 -7.059 728 2HG2 ILE 100 2HG2 ILE 100 -17.000 28.463 -8.332 729 3HG2 ILE 100 3HG2 ILE 100 -17.637 29.887 -7.520 730 1HD1 ILE 100 1HD1 ILE 100 -17.066 26.302 -8.387 731 2HD1 ILE 100 2HD1 ILE 100 -16.863 24.863 -7.355 732 3HD1 ILE 100 3HD1 ILE 100 -18.442 25.655 -7.472 733 H HIS 101 H HIS 101 -18.647 30.838 -6.411 734 HA HIS 101 HA HIS 101 -21.495 30.536 -5.650 735 1HB HIS 101 HB2 HIS 101 -20.661 32.226 -4.094 736 2HB HIS 101 HB3 HIS 101 -19.939 33.140 -5.442 737 HD1 HIS 101 HD1 HIS 101 -23.599 31.818 -5.504 738 HD2 HIS 101 HD2 HIS 101 -21.341 35.329 -4.923 739 HE1 HIS 101 HE1 HIS 101 -25.260 33.780 -5.466 740 H LEU 102 H LEU 102 -22.805 30.877 -7.255 741 HA LEU 102 HA LEU 102 -21.679 31.403 -9.969 742 1HB LEU 102 HB2 LEU 102 -22.438 29.143 -9.642 743 2HB LEU 102 HB3 LEU 102 -24.018 29.688 -9.052 744 HG LEU 102 HG LEU 102 -24.675 30.461 -11.217 745 1HD1 LEU 102 1HD1 LEU 102 -22.599 31.447 -12.100 746 2HD1 LEU 102 2HD1 LEU 102 -21.876 29.815 -12.253 747 3HD1 LEU 102 3HD1 LEU 102 -23.252 30.304 -13.255 748 1HD2 LEU 102 1HD2 LEU 102 -24.817 28.005 -10.876 749 2HD2 LEU 102 2HD2 LEU 102 -24.620 28.418 -12.572 750 3HD2 LEU 102 3HD2 LEU 102 -23.249 27.808 -11.619 751 H LYS 103 H LYS 103 -21.936 33.573 -10.133 752 HA LYS 103 HA LYS 103 -24.466 34.963 -9.522 753 1HB LYS 103 HB2 LYS 103 -21.805 35.998 -10.551 754 2HB LYS 103 HB3 LYS 103 -23.200 36.969 -10.043 755 1HG LYS 103 HG2 LYS 103 -23.025 35.948 -7.740 756 2HG LYS 103 HG3 LYS 103 -21.612 35.030 -8.288 757 1HD LYS 103 HD2 LYS 103 -20.823 36.944 -7.074 758 2HD LYS 103 HD3 LYS 103 -20.440 37.200 -8.779 759 1HE LYS 103 HE2 LYS 103 -22.413 38.673 -9.034 760 2HE LYS 103 HE3 LYS 103 -22.869 38.351 -7.353 761 1HZ LYS 103 HZ1 LYS 103 -20.813 39.431 -6.650 762 2HZ LYS 103 HZ2 LYS 103 -20.364 39.691 -8.214 763 3HZ LYS 103 HZ3 LYS 103 -21.666 40.466 -7.598 764 H VAL 104 H VAL 104 -25.877 34.025 -11.051 765 HA VAL 104 HA VAL 104 -25.339 34.262 -13.954 766 HB VAL 104 HB VAL 104 -27.925 33.446 -12.580 767 1HG1 VAL 104 1HG1 VAL 104 -28.074 33.945 -15.011 768 2HG1 VAL 104 2HG1 VAL 104 -26.729 32.822 -15.320 769 3HG1 VAL 104 3HG1 VAL 104 -28.287 32.222 -14.707 770 1HG2 VAL 104 1HG2 VAL 104 -25.558 31.722 -13.313 771 2HG2 VAL 104 2HG2 VAL 104 -26.269 31.952 -11.703 772 3HG2 VAL 104 3HG2 VAL 104 -27.195 31.093 -12.954 773 H PHE 105 H PHE 105 -26.104 35.792 -15.361 774 HA PHE 105 HA PHE 105 -28.122 37.777 -14.456 775 1HB PHE 105 HB2 PHE 105 -26.801 39.260 -16.088 776 2HB PHE 105 HB3 PHE 105 -26.174 39.029 -14.457 777 HD1 PHE 105 HD1 PHE 105 -23.905 38.441 -14.162 778 HD2 PHE 105 HD2 PHE 105 -25.789 37.743 -17.997 779 HE1 PHE 105 HE1 PHE 105 -21.704 37.938 -15.147 780 HE2 PHE 105 HE2 PHE 105 -23.581 37.204 -18.967 781 HZ PHE 105 HZ PHE 105 -21.533 37.335 -17.575 782 H ALA 106 H ALA 106 -29.467 38.597 -16.179 783 HA ALA 106 HA ALA 106 -29.845 36.601 -18.355 784 1HB ALA 106 HB1 ALA 106 -31.554 36.618 -16.547 785 2HB ALA 106 HB2 ALA 106 -31.894 38.322 -16.912 786 3HB ALA 106 HB3 ALA 106 -32.255 37.070 -18.122 787 H LYS 107 H LYS 107 -28.085 38.686 -18.777 788 HA LYS 107 HA LYS 107 -28.898 39.793 -21.306 789 1HB LYS 107 HB2 LYS 107 -28.841 42.214 -20.674 790 2HB LYS 107 HB3 LYS 107 -30.186 41.359 -19.969 791 1HG LYS 107 HG2 LYS 107 -28.972 41.232 -17.779 792 2HG LYS 107 HG3 LYS 107 -27.622 42.099 -18.514 793 1HD LYS 107 HD2 LYS 107 -29.169 44.012 -18.982 794 2HD LYS 107 HD3 LYS 107 -30.500 43.103 -18.199 795 1HE LYS 107 HE2 LYS 107 -29.201 43.028 -16.095 796 2HE LYS 107 HE3 LYS 107 -27.899 43.970 -16.868 797 1HZ LYS 107 HZ1 LYS 107 -29.384 45.397 -15.574 798 2HZ LYS 107 HZ2 LYS 107 -29.476 45.795 -17.139 799 3HZ LYS 107 HZ3 LYS 107 -30.675 44.927 -16.433 Start of MODEL 6 1 1H GLY 1 H1 GLY 1 0.328 -4.158 -3.253 2 2H GLY 1 H2 GLY 1 1.401 -5.321 -2.853 3 3H GLY 1 H3 GLY 1 -0.201 -5.559 -2.600 4 1HA GLY 1 HA2 GLY 1 0.905 -5.077 -0.509 5 2HA GLY 1 HA3 GLY 1 1.473 -3.560 -1.213 6 H LYS 2 H LYS 2 0.428 -2.071 -0.063 7 HA LYS 2 HA LYS 2 -2.410 -1.598 -0.400 8 1HB LYS 2 HB2 LYS 2 -2.062 -3.318 1.628 9 2HB LYS 2 HB3 LYS 2 -1.486 -1.904 2.498 10 1HG LYS 2 HG2 LYS 2 -3.725 -0.816 1.992 11 2HG LYS 2 HG3 LYS 2 -4.234 -2.345 1.243 12 1HD LYS 2 HD2 LYS 2 -3.761 -3.465 3.455 13 2HD LYS 2 HD3 LYS 2 -3.360 -1.891 4.160 14 1HE LYS 2 HE2 LYS 2 -5.665 -1.107 3.532 15 2HE LYS 2 HE3 LYS 2 -6.039 -2.724 2.927 16 1HZ LYS 2 HZ1 LYS 2 -5.253 -2.120 5.725 17 2HZ LYS 2 HZ2 LYS 2 -6.786 -2.455 5.227 18 3HZ LYS 2 HZ3 LYS 2 -5.640 -3.610 5.169 19 H ASP 3 H ASP 3 -3.085 0.441 0.404 20 HA ASP 3 HA ASP 3 -0.916 2.444 0.532 21 1HB ASP 3 HB2 ASP 3 -3.939 2.754 0.211 22 2HB ASP 3 HB3 ASP 3 -2.754 4.047 0.108 23 H ILE 4 H ILE 4 -3.081 0.941 2.789 24 HA ILE 4 HA ILE 4 -3.176 3.293 4.559 25 HB ILE 4 HB ILE 4 -4.591 0.635 4.834 26 1HG1 ILE 4 2HG1 ILE 4 -5.569 3.300 3.719 27 2HG1 ILE 4 3HG1 ILE 4 -5.256 1.853 2.754 28 1HG2 ILE 4 1HG2 ILE 4 -5.080 3.344 6.193 29 2HG2 ILE 4 2HG2 ILE 4 -6.067 1.864 6.413 30 3HG2 ILE 4 3HG2 ILE 4 -4.397 1.902 6.984 31 1HD1 ILE 4 1HD1 ILE 4 -7.498 2.274 4.736 32 2HD1 ILE 4 2HD1 ILE 4 -7.576 1.943 3.015 33 3HD1 ILE 4 3HD1 ILE 4 -7.080 0.671 4.127 34 H GLN 5 H GLN 5 -1.897 0.010 4.736 35 HA GLN 5 HA GLN 5 -0.668 0.528 7.374 36 1HB GLN 5 HB2 GLN 5 -1.335 -1.937 5.787 37 2HB GLN 5 HB3 GLN 5 0.000 -2.044 6.910 38 1HG GLN 5 HG2 GLN 5 -1.982 -2.783 8.003 39 2HG GLN 5 HG3 GLN 5 -1.398 -1.314 8.776 40 1HE2 GLN 5 1HE2 GLN 5 -4.715 -0.072 8.602 41 2HE2 GLN 5 2HE2 GLN 5 -3.260 -0.308 9.559 42 H VAL 6 H VAL 6 0.199 1.865 5.050 43 HA VAL 6 HA VAL 6 3.096 1.615 5.303 44 HB VAL 6 HB VAL 6 1.934 1.544 2.490 45 1HG1 VAL 6 1HG1 VAL 6 4.744 1.058 3.568 46 2HG1 VAL 6 2HG1 VAL 6 4.246 0.915 1.868 47 3HG1 VAL 6 3HG1 VAL 6 4.200 2.471 2.619 48 1HG2 VAL 6 1HG2 VAL 6 1.388 -0.622 3.415 49 2HG2 VAL 6 2HG2 VAL 6 2.700 -0.791 2.248 50 3HG2 VAL 6 3HG2 VAL 6 3.043 -0.854 4.015 51 H ILE 7 H ILE 7 4.106 3.636 4.612 52 HA ILE 7 HA ILE 7 2.309 5.919 4.744 53 HB ILE 7 HB ILE 7 5.328 5.943 4.356 54 1HG1 ILE 7 2HG1 ILE 7 4.888 4.742 6.415 55 2HG1 ILE 7 3HG1 ILE 7 5.534 6.336 6.736 56 1HG2 ILE 7 1HG2 ILE 7 4.335 8.072 3.753 57 2HG2 ILE 7 2HG2 ILE 7 3.329 8.059 5.216 58 3HG2 ILE 7 3HG2 ILE 7 5.100 8.224 5.317 59 1HD1 ILE 7 1HD1 ILE 7 3.806 5.769 8.326 60 2HD1 ILE 7 2HD1 ILE 7 3.288 7.138 7.359 61 3HD1 ILE 7 3HD1 ILE 7 2.606 5.527 7.019 62 H VAL 8 H VAL 8 1.047 5.727 2.945 63 HA VAL 8 HA VAL 8 2.160 6.715 0.386 64 HB VAL 8 HB VAL 8 0.409 4.248 0.363 65 1HG1 VAL 8 1HG1 VAL 8 1.201 4.094 -2.029 66 2HG1 VAL 8 2HG1 VAL 8 0.337 5.559 -1.701 67 3HG1 VAL 8 3HG1 VAL 8 2.110 5.585 -1.801 68 1HG2 VAL 8 1HG2 VAL 8 3.443 4.261 -0.012 69 2HG2 VAL 8 2HG2 VAL 8 2.526 3.490 1.317 70 3HG2 VAL 8 3HG2 VAL 8 2.358 2.890 -0.331 71 H ASN 9 H ASN 9 -0.639 5.926 2.421 72 HA ASN 9 HA ASN 9 -2.560 7.179 0.745 73 1HB ASN 9 HB2 ASN 9 -4.025 7.187 2.728 74 2HB ASN 9 HB3 ASN 9 -3.284 5.634 2.430 75 1HD2 ASN 9 1HD2 ASN 9 -1.395 7.275 5.598 76 2HD2 ASN 9 2HD2 ASN 9 -1.160 7.978 4.000 77 H VAL 10 H VAL 10 -3.738 8.982 1.022 78 HA VAL 10 HA VAL 10 -2.480 11.437 2.181 79 HB VAL 10 HB VAL 10 -3.462 11.157 -0.684 80 1HG1 VAL 10 1HG1 VAL 10 -3.823 13.435 0.174 81 2HG1 VAL 10 2HG1 VAL 10 -2.120 13.519 0.679 82 3HG1 VAL 10 3HG1 VAL 10 -2.581 13.422 -1.045 83 1HG2 VAL 10 1HG2 VAL 10 -1.245 10.104 -0.488 84 2HG2 VAL 10 2HG2 VAL 10 -1.067 11.647 -1.303 85 3HG2 VAL 10 3HG2 VAL 10 -0.641 11.532 0.412 86 HA PRO 11 HA PRO 11 -6.842 12.055 3.383 87 1HB PRO 11 HB2 PRO 11 -5.768 14.875 3.578 88 2HB PRO 11 HB3 PRO 11 -6.855 14.018 4.736 89 1HG PRO 11 HG2 PRO 11 -4.213 14.280 5.285 90 2HG PRO 11 HG3 PRO 11 -4.993 12.678 5.529 91 1HD PRO 11 HD2 PRO 11 -3.368 13.674 3.168 92 2HD PRO 11 HD3 PRO 11 -3.254 12.105 4.051 93 HA PRO 12 HA PRO 12 -8.628 13.863 -0.299 94 1HB PRO 12 HB2 PRO 12 -10.997 14.932 0.506 95 2HB PRO 12 HB3 PRO 12 -10.732 13.178 0.495 96 1HG PRO 12 HG2 PRO 12 -10.515 15.040 2.869 97 2HG PRO 12 HG3 PRO 12 -11.319 13.440 2.740 98 1HD PRO 12 HD2 PRO 12 -8.791 13.813 3.757 99 2HD PRO 12 HD3 PRO 12 -9.310 12.311 2.956 100 H SER 13 H SER 13 -8.654 15.825 -1.339 101 HA SER 13 HA SER 13 -7.868 18.273 0.135 102 1HB SER 13 HB2 SER 13 -6.001 16.868 -0.854 103 2HB SER 13 HB3 SER 13 -6.595 17.367 -2.443 104 HG SER 13 HG SER 13 -4.932 18.733 -1.550 105 H VAL 14 H VAL 14 -10.418 18.125 -0.316 106 HA VAL 14 HA VAL 14 -11.168 18.982 -2.954 107 HB VAL 14 HB VAL 14 -12.707 17.746 -1.547 108 1HG1 VAL 14 1HG1 VAL 14 -12.431 19.205 0.557 109 2HG1 VAL 14 2HG1 VAL 14 -13.446 20.412 -0.248 110 3HG1 VAL 14 3HG1 VAL 14 -14.119 18.817 0.086 111 1HG2 VAL 14 1HG2 VAL 14 -13.839 20.364 -2.535 112 2HG2 VAL 14 2HG2 VAL 14 -13.392 19.025 -3.596 113 3HG2 VAL 14 3HG2 VAL 14 -14.697 18.844 -2.399 114 H ARG 15 H ARG 15 -11.155 20.863 -3.862 115 HA ARG 15 HA ARG 15 -10.723 23.408 -2.302 116 1HB ARG 15 HB2 ARG 15 -9.032 22.204 -4.515 117 2HB ARG 15 HB3 ARG 15 -8.919 23.893 -4.025 118 1HG ARG 15 HG2 ARG 15 -8.187 23.404 -1.866 119 2HG ARG 15 HG3 ARG 15 -8.514 21.659 -2.016 120 1HD ARG 15 HD2 ARG 15 -6.343 23.217 -3.440 121 2HD ARG 15 HD3 ARG 15 -6.156 21.992 -2.164 122 HE ARG 15 HE ARG 15 -7.597 20.792 -4.270 123 1HH1 ARG 15 1HH1 ARG 15 -4.321 21.557 -3.408 124 2HH1 ARG 15 2HH1 ARG 15 -3.666 20.472 -4.619 125 1HH2 ARG 15 1HH2 ARG 15 -6.746 19.786 -5.993 126 2HH2 ARG 15 2HH2 ARG 15 -5.019 19.467 -6.063 127 H ALA 16 H ALA 16 -10.990 25.292 -3.475 128 HA ALA 16 HA ALA 16 -13.091 25.234 -5.514 129 1HB ALA 16 HB1 ALA 16 -11.578 27.521 -4.239 130 2HB ALA 16 HB2 ALA 16 -12.960 27.697 -5.325 131 3HB ALA 16 HB3 ALA 16 -13.188 26.908 -3.772 132 H ARG 17 H ARG 17 -12.535 24.673 -7.543 133 HA ARG 17 HA ARG 17 -9.927 25.214 -8.697 134 1HB ARG 17 HB2 ARG 17 -11.720 23.346 -9.340 135 2HB ARG 17 HB3 ARG 17 -12.340 24.629 -10.395 136 1HG ARG 17 HG2 ARG 17 -10.035 24.848 -11.386 137 2HG ARG 17 HG3 ARG 17 -9.511 23.461 -10.429 138 1HD ARG 17 HD2 ARG 17 -11.760 23.437 -12.481 139 2HD ARG 17 HD3 ARG 17 -10.103 23.016 -12.853 140 HE ARG 17 HE ARG 17 -12.050 21.424 -11.263 141 1HH1 ARG 17 1HH1 ARG 17 -8.754 21.532 -12.509 142 2HH1 ARG 17 2HH1 ARG 17 -8.563 19.824 -12.371 143 1HH2 ARG 17 1HH2 ARG 17 -11.723 19.227 -11.115 144 2HH2 ARG 17 2HH2 ARG 17 -10.155 18.579 -11.517 145 H GLN 18 H GLN 18 -12.735 27.077 -8.358 146 HA GLN 18 HA GLN 18 -11.370 29.525 -9.015 147 1HB GLN 18 HB2 GLN 18 -12.151 29.046 -11.308 148 2HB GLN 18 HB3 GLN 18 -13.745 28.604 -10.726 149 1HG GLN 18 HG2 GLN 18 -13.724 30.782 -11.837 150 2HG GLN 18 HG3 GLN 18 -14.304 30.871 -10.190 151 1HE2 GLN 18 1HE2 GLN 18 -12.271 33.837 -10.393 152 2HE2 GLN 18 2HE2 GLN 18 -13.898 33.245 -10.777 153 H SER 19 H SER 19 -12.345 31.219 -7.798 154 HA SER 19 HA SER 19 -14.149 30.321 -5.680 155 1HB SER 19 HB2 SER 19 -13.682 32.587 -4.784 156 2HB SER 19 HB3 SER 19 -12.244 31.637 -5.114 157 HG SER 19 HG SER 19 -12.052 33.801 -5.924 158 H THR 20 H THR 20 -14.524 32.225 -8.578 159 HA THR 20 HA THR 20 -17.417 32.704 -8.024 160 HB THR 20 HB THR 20 -15.531 34.998 -8.762 161 HG1 THR 20 HG1 THR 20 -15.988 35.798 -6.751 162 1HG2 THR 20 1HG2 THR 20 -18.510 34.899 -8.118 163 2HG2 THR 20 2HG2 THR 20 -17.539 36.382 -8.359 164 3HG2 THR 20 3HG2 THR 20 -17.788 35.247 -9.691 165 H MET 21 H MET 21 -18.355 31.874 -9.654 166 HA MET 21 HA MET 21 -17.255 32.025 -12.422 167 1HB MET 21 HB2 MET 21 -19.337 30.258 -11.106 168 2HB MET 21 HB3 MET 21 -19.051 30.265 -12.827 169 1HG MET 21 HG2 MET 21 -17.000 29.520 -10.730 170 2HG MET 21 HG3 MET 21 -17.927 28.420 -11.712 171 1HE MET 21 HE1 MET 21 -16.352 29.075 -15.303 172 2HE MET 21 HE2 MET 21 -17.716 28.376 -14.421 173 3HE MET 21 HE3 MET 21 -17.637 30.128 -14.669 174 H ASN 22 H ASN 22 -19.007 32.228 -14.118 175 HA ASN 22 HA ASN 22 -21.433 33.658 -13.346 176 1HB ASN 22 HB2 ASN 22 -21.047 35.581 -14.669 177 2HB ASN 22 HB3 ASN 22 -19.684 35.436 -13.581 178 1HD2 ASN 22 1HD2 ASN 22 -19.083 35.326 -17.601 179 2HD2 ASN 22 2HD2 ASN 22 -20.708 35.441 -16.923 180 H ALA 23 H ALA 23 -22.952 33.960 -15.215 181 HA ALA 23 HA ALA 23 -22.447 32.457 -17.671 182 1HB ALA 23 HB1 ALA 23 -24.461 31.387 -15.656 183 2HB ALA 23 HB2 ALA 23 -24.223 30.778 -17.309 184 3HB ALA 23 HB3 ALA 23 -22.927 30.615 -16.118 185 H THR 24 H THR 24 -24.130 32.606 -19.236 186 HA THR 24 HA THR 24 -25.850 34.978 -18.880 187 HB THR 24 HB THR 24 -25.206 33.568 -21.456 188 HG1 THR 24 HG1 THR 24 -23.632 35.142 -21.752 189 1HG2 THR 24 1HG2 THR 24 -25.709 35.852 -22.384 190 2HG2 THR 24 2HG2 THR 24 -27.102 35.109 -21.584 191 3HG2 THR 24 3HG2 THR 24 -26.176 36.370 -20.745 192 H ALA 25 H ALA 25 -27.912 34.705 -18.500 193 HA ALA 25 HA ALA 25 -29.399 32.200 -19.191 194 1HB ALA 25 HB1 ALA 25 -29.553 32.910 -16.908 195 2HB ALA 25 HB2 ALA 25 -30.017 34.553 -17.369 196 3HB ALA 25 HB3 ALA 25 -31.131 33.212 -17.675 197 H ASN 26 H ASN 26 -31.716 32.619 -19.829 198 HA ASN 26 HA ASN 26 -33.245 33.261 -21.361 199 1HB ASN 26 HB2 ASN 26 -33.134 35.349 -20.001 200 2HB ASN 26 HB3 ASN 26 -31.999 36.033 -21.141 201 1HD2 ASN 26 1HD2 ASN 26 -35.943 35.618 -22.221 202 2HD2 ASN 26 2HD2 ASN 26 -35.287 34.649 -20.906 203 H LEU 27 H LEU 27 -30.860 32.044 -22.212 204 HA LEU 27 HA LEU 27 -31.365 32.086 -25.005 205 1HB LEU 27 HB2 LEU 27 -29.170 32.667 -25.891 206 2HB LEU 27 HB3 LEU 27 -30.056 33.993 -25.253 207 HG LEU 27 HG LEU 27 -28.699 34.198 -23.310 208 1HD1 LEU 27 1HD1 LEU 27 -27.373 31.611 -24.158 209 2HD1 LEU 27 2HD1 LEU 27 -26.787 32.690 -22.851 210 3HD1 LEU 27 3HD1 LEU 27 -28.357 31.895 -22.708 211 1HD2 LEU 27 1HD2 LEU 27 -27.795 35.054 -25.487 212 2HD2 LEU 27 2HD2 LEU 27 -26.516 34.624 -24.349 213 3HD2 LEU 27 3HD2 LEU 27 -26.925 33.536 -25.697 214 H SER 28 H SER 28 -30.816 30.271 -22.486 215 HA SER 28 HA SER 28 -30.369 28.067 -22.224 216 1HB SER 28 HB2 SER 28 -30.646 27.983 -25.247 217 2HB SER 28 HB3 SER 28 -30.747 26.607 -24.141 218 HG SER 28 HG SER 28 -32.797 27.569 -24.763 219 H GLN 29 H GLN 29 -28.043 29.399 -21.942 220 HA GLN 29 HA GLN 29 -25.873 28.436 -23.597 221 1HB GLN 29 HB2 GLN 29 -26.119 30.518 -21.969 222 2HB GLN 29 HB3 GLN 29 -25.495 29.358 -20.790 223 1HG GLN 29 HG2 GLN 29 -23.471 29.046 -22.212 224 2HG GLN 29 HG3 GLN 29 -24.137 30.163 -23.392 225 1HE2 GLN 29 1HE2 GLN 29 -22.504 32.826 -21.680 226 2HE2 GLN 29 2HE2 GLN 29 -22.785 32.009 -23.232 227 H SER 30 H SER 30 -24.002 27.260 -22.665 228 HA SER 30 HA SER 30 -24.588 25.188 -20.611 229 1HB SER 30 HB2 SER 30 -23.123 24.694 -23.237 230 2HB SER 30 HB3 SER 30 -23.212 23.558 -21.855 231 HG SER 30 HG SER 30 -24.777 23.206 -23.551 232 H VAL 31 H VAL 31 -22.989 24.931 -19.143 233 HA VAL 31 HA VAL 31 -20.433 26.484 -19.443 234 HB VAL 31 HB VAL 31 -22.462 26.916 -17.224 235 1HG1 VAL 31 1HG1 VAL 31 -20.265 27.135 -16.231 236 2HG1 VAL 31 2HG1 VAL 31 -19.701 28.144 -17.591 237 3HG1 VAL 31 3HG1 VAL 31 -20.920 28.730 -16.453 238 1HG2 VAL 31 1HG2 VAL 31 -21.553 28.760 -19.460 239 2HG2 VAL 31 2HG2 VAL 31 -23.177 28.108 -19.213 240 3HG2 VAL 31 3HG2 VAL 31 -22.506 29.258 -18.069 241 H THR 32 H THR 32 -18.700 25.712 -18.310 242 HA THR 32 HA THR 32 -19.084 23.334 -16.532 243 HB THR 32 HB THR 32 -16.478 24.294 -17.809 244 HG1 THR 32 HG1 THR 32 -16.886 22.754 -19.368 245 1HG2 THR 32 1HG2 THR 32 -15.819 21.910 -17.431 246 2HG2 THR 32 2HG2 THR 32 -16.187 22.745 -15.911 247 3HG2 THR 32 3HG2 THR 32 -17.373 21.624 -16.612 248 H LEU 33 H LEU 33 -18.317 23.366 -14.450 249 HA LEU 33 HA LEU 33 -16.485 25.382 -13.460 250 1HB LEU 33 HB2 LEU 33 -17.958 26.265 -11.708 251 2HB LEU 33 HB3 LEU 33 -18.460 26.660 -13.305 252 HG LEU 33 HG LEU 33 -20.161 24.652 -13.073 253 1HD1 LEU 33 1HD1 LEU 33 -19.340 23.684 -10.974 254 2HD1 LEU 33 2HD1 LEU 33 -19.486 25.262 -10.151 255 3HD1 LEU 33 3HD1 LEU 33 -20.931 24.368 -10.715 256 1HD2 LEU 33 1HD2 LEU 33 -20.466 27.194 -11.452 257 2HD2 LEU 33 2HD2 LEU 33 -20.769 27.035 -13.178 258 3HD2 LEU 33 3HD2 LEU 33 -21.768 26.137 -12.045 259 H ALA 34 H ALA 34 -15.952 24.867 -11.059 260 HA ALA 34 HA ALA 34 -16.416 22.064 -10.339 261 1HB ALA 34 HB1 ALA 34 -14.826 22.025 -12.307 262 2HB ALA 34 HB2 ALA 34 -13.679 22.929 -11.306 263 3HB ALA 34 HB3 ALA 34 -14.180 21.275 -10.850 264 H CYS 35 H CYS 35 -15.763 21.338 -8.507 265 HA CYS 35 HA CYS 35 -13.947 22.919 -6.731 266 1HB CYS 35 HB2 CYS 35 -16.288 23.064 -5.931 267 2HB CYS 35 HB3 CYS 35 -16.380 21.309 -5.890 268 H ASP 36 H ASP 36 -12.075 21.753 -7.206 269 HA ASP 36 HA ASP 36 -12.126 19.015 -8.113 270 1HB ASP 36 HB2 ASP 36 -9.905 19.222 -8.610 271 2HB ASP 36 HB3 ASP 36 -10.577 20.803 -8.936 272 H ALA 37 H ALA 37 -11.794 17.126 -7.065 273 HA ALA 37 HA ALA 37 -11.009 17.264 -4.187 274 1HB ALA 37 HB1 ALA 37 -13.447 16.912 -4.302 275 2HB ALA 37 HB2 ALA 37 -13.193 15.489 -5.338 276 3HB ALA 37 HB3 ALA 37 -12.585 15.482 -3.674 277 H ASP 38 H ASP 38 -8.950 16.677 -4.555 278 HA ASP 38 HA ASP 38 -8.327 14.071 -5.874 279 1HB ASP 38 HB2 ASP 38 -7.057 16.122 -6.495 280 2HB ASP 38 HB3 ASP 38 -6.560 16.319 -4.832 281 H GLY 39 H GLY 39 -6.876 12.498 -4.699 282 1HA GLY 39 HA2 GLY 39 -5.959 12.619 -2.106 283 2HA GLY 39 HA3 GLY 39 -7.640 12.049 -1.941 284 H PHE 40 H PHE 40 -5.637 10.383 -1.063 285 HA PHE 40 HA PHE 40 -5.733 8.155 -3.032 286 1HB PHE 40 HB2 PHE 40 -3.175 9.133 -1.726 287 2HB PHE 40 HB3 PHE 40 -3.360 7.595 -2.532 288 HD1 PHE 40 HD1 PHE 40 -3.001 11.219 -3.060 289 HD2 PHE 40 HD2 PHE 40 -3.806 7.429 -4.987 290 HE1 PHE 40 HE1 PHE 40 -2.546 12.235 -5.264 291 HE2 PHE 40 HE2 PHE 40 -3.325 8.463 -7.191 292 HZ PHE 40 HZ PHE 40 -2.718 10.850 -7.337 293 HA PRO 41 HA PRO 41 -6.308 5.993 -3.061 294 1HB PRO 41 HB2 PRO 41 -8.537 4.833 -1.416 295 2HB PRO 41 HB3 PRO 41 -7.584 4.103 -2.735 296 1HG PRO 41 HG2 PRO 41 -7.041 3.492 -0.112 297 2HG PRO 41 HG3 PRO 41 -5.719 3.735 -1.300 298 1HD PRO 41 HD2 PRO 41 -6.824 5.713 0.735 299 2HD PRO 41 HD3 PRO 41 -5.135 5.319 0.374 300 H GLU 42 H GLU 42 -8.160 6.387 -4.393 301 HA GLU 42 HA GLU 42 -9.053 8.863 -4.735 302 1HB GLU 42 HB2 GLU 42 -10.680 6.372 -5.322 303 2HB GLU 42 HB3 GLU 42 -10.980 7.987 -6.010 304 1HG GLU 42 HG2 GLU 42 -8.711 7.933 -7.033 305 2HG GLU 42 HG3 GLU 42 -8.424 6.348 -6.341 306 HA PRO 43 HA PRO 43 -11.642 9.641 -1.219 307 1HB PRO 43 HB2 PRO 43 -12.229 12.288 -1.577 308 2HB PRO 43 HB3 PRO 43 -10.528 11.734 -1.287 309 1HG PRO 43 HG2 PRO 43 -11.896 12.264 -3.937 310 2HG PRO 43 HG3 PRO 43 -10.354 12.960 -3.339 311 1HD PRO 43 HD2 PRO 43 -10.421 10.744 -4.968 312 2HD PRO 43 HD3 PRO 43 -9.233 10.899 -3.623 313 H THR 44 H THR 44 -13.689 10.310 -0.502 314 HA THR 44 HA THR 44 -15.939 10.046 -2.509 315 HB THR 44 HB THR 44 -15.994 9.810 0.533 316 HG1 THR 44 HG1 THR 44 -14.924 8.094 -0.563 317 1HG2 THR 44 1HG2 THR 44 -18.185 10.511 -0.314 318 2HG2 THR 44 2HG2 THR 44 -18.147 9.265 -1.564 319 3HG2 THR 44 3HG2 THR 44 -18.236 8.812 0.138 320 H MET 45 H MET 45 -17.361 11.860 -2.813 321 HA MET 45 HA MET 45 -17.216 14.098 -0.926 322 1HB MET 45 HB2 MET 45 -16.425 15.696 -2.573 323 2HB MET 45 HB3 MET 45 -15.288 14.401 -2.455 324 1HG MET 45 HG2 MET 45 -15.338 14.528 -4.713 325 2HG MET 45 HG3 MET 45 -16.661 13.401 -4.517 326 1HE MET 45 HE1 MET 45 -17.006 17.887 -5.584 327 2HE MET 45 HE2 MET 45 -16.198 17.288 -4.105 328 3HE MET 45 HE3 MET 45 -15.521 16.929 -5.728 329 H THR 46 H THR 46 -18.761 15.752 -1.279 330 HA THR 46 HA THR 46 -20.758 15.480 -3.394 331 HB THR 46 HB THR 46 -22.718 15.669 -1.870 332 HG1 THR 46 HG1 THR 46 -20.874 14.870 0.133 333 1HG2 THR 46 1HG2 THR 46 -23.018 13.386 -1.301 334 2HG2 THR 46 2HG2 THR 46 -22.154 13.484 -2.846 335 3HG2 THR 46 3HG2 THR 46 -21.268 13.070 -1.354 336 H TRP 47 H TRP 47 -22.344 17.364 -3.219 337 HA TRP 47 HA TRP 47 -21.463 19.682 -1.757 338 1HB TRP 47 HB2 TRP 47 -21.085 21.086 -3.856 339 2HB TRP 47 HB3 TRP 47 -19.855 19.989 -3.312 340 HD1 TRP 47 HD1 TRP 47 -20.022 17.451 -4.800 341 HE1 TRP 47 HE1 TRP 47 -19.310 17.439 -7.239 342 HE3 TRP 47 HE3 TRP 47 -21.041 22.328 -5.926 343 HZ2 TRP 47 HZ2 TRP 47 -18.682 19.462 -9.237 344 HZ3 TRP 47 HZ3 TRP 47 -20.254 23.297 -8.058 345 HH2 TRP 47 HH2 TRP 47 -18.994 21.878 -9.691 346 H THR 48 H THR 48 -22.698 21.639 -2.272 347 HA THR 48 HA THR 48 -25.528 20.930 -2.829 348 HB THR 48 HB THR 48 -26.274 21.964 -0.777 349 HG1 THR 48 HG1 THR 48 -23.550 22.473 -0.198 350 1HG2 THR 48 1HG2 THR 48 -25.507 19.587 -0.545 351 2HG2 THR 48 2HG2 THR 48 -23.961 20.199 0.068 352 3HG2 THR 48 3HG2 THR 48 -25.455 20.562 0.948 353 H LYS 49 H LYS 49 -26.936 22.646 -3.213 354 HA LYS 49 HA LYS 49 -25.669 24.934 -4.593 355 1HB LYS 49 HB2 LYS 49 -27.375 23.242 -5.592 356 2HB LYS 49 HB3 LYS 49 -28.598 24.020 -4.628 357 1HG LYS 49 HG2 LYS 49 -28.013 26.222 -5.798 358 2HG LYS 49 HG3 LYS 49 -26.884 25.328 -6.803 359 1HD LYS 49 HD2 LYS 49 -28.694 23.884 -7.635 360 2HD LYS 49 HD3 LYS 49 -29.870 24.692 -6.599 361 1HE LYS 49 HE2 LYS 49 -28.265 26.068 -8.800 362 2HE LYS 49 HE3 LYS 49 -29.879 25.394 -9.019 363 1HZ LYS 49 HZ1 LYS 49 -30.541 26.893 -7.104 364 2HZ LYS 49 HZ2 LYS 49 -29.127 27.723 -7.383 365 3HZ LYS 49 HZ3 LYS 49 -30.277 27.603 -8.543 366 H ASP 50 H ASP 50 -25.193 25.600 -2.240 367 HA ASP 50 HA ASP 50 -25.428 26.943 -0.457 368 1HB ASP 50 HB2 ASP 50 -26.093 28.619 -2.179 369 2HB ASP 50 HB3 ASP 50 -27.778 28.248 -1.876 370 H GLY 51 H GLY 51 -27.396 24.458 -0.924 371 1HA GLY 51 HA2 GLY 51 -28.028 24.140 1.786 372 2HA GLY 51 HA3 GLY 51 -29.475 24.809 1.058 373 H GLU 52 H GLU 52 -29.349 23.465 -1.483 374 HA GLU 52 HA GLU 52 -30.261 20.782 -0.605 375 1HB GLU 52 HB2 GLU 52 -31.579 20.726 -2.602 376 2HB GLU 52 HB3 GLU 52 -31.912 22.175 -1.662 377 1HG GLU 52 HG2 GLU 52 -30.479 23.472 -3.237 378 2HG GLU 52 HG3 GLU 52 -30.217 22.010 -4.208 379 HA PRO 53 HA PRO 53 -26.854 18.777 -2.325 380 1HB PRO 53 HB2 PRO 53 -28.534 16.394 -3.060 381 2HB PRO 53 HB3 PRO 53 -27.138 16.512 -1.941 382 1HG PRO 53 HG2 PRO 53 -29.693 16.263 -1.055 383 2HG PRO 53 HG3 PRO 53 -28.537 17.372 -0.224 384 1HD PRO 53 HD2 PRO 53 -30.650 18.094 -2.275 385 2HD PRO 53 HD3 PRO 53 -30.322 18.811 -0.697 386 H ILE 54 H ILE 54 -25.654 18.707 -4.043 387 HA ILE 54 HA ILE 54 -26.664 18.255 -6.796 388 HB ILE 54 HB ILE 54 -24.005 19.461 -5.890 389 1HG1 ILE 54 2HG1 ILE 54 -26.331 21.166 -6.881 390 2HG1 ILE 54 3HG1 ILE 54 -26.055 20.888 -5.172 391 1HG2 ILE 54 1HG2 ILE 54 -24.041 18.617 -8.253 392 2HG2 ILE 54 2HG2 ILE 54 -25.461 19.654 -8.581 393 3HG2 ILE 54 3HG2 ILE 54 -23.899 20.376 -8.230 394 1HD1 ILE 54 1HD1 ILE 54 -23.809 21.801 -5.303 395 2HD1 ILE 54 2HD1 ILE 54 -24.012 22.117 -7.028 396 3HD1 ILE 54 3HD1 ILE 54 -25.027 22.980 -5.900 397 H GLU 55 H GLU 55 -26.623 16.144 -5.085 398 HA GLU 55 HA GLU 55 -24.288 14.624 -4.898 399 1HB GLU 55 HB2 GLU 55 -25.850 12.674 -4.651 400 2HB GLU 55 HB3 GLU 55 -25.999 14.016 -3.502 401 1HG GLU 55 HG2 GLU 55 -27.981 14.838 -4.775 402 2HG GLU 55 HG3 GLU 55 -27.872 13.399 -5.801 403 H GLN 56 H GLN 56 -23.025 14.391 -6.585 404 HA GLN 56 HA GLN 56 -23.591 13.960 -9.243 405 1HB GLN 56 HB2 GLN 56 -21.254 12.922 -7.575 406 2HB GLN 56 HB3 GLN 56 -21.229 13.073 -9.326 407 1HG GLN 56 HG2 GLN 56 -21.568 15.483 -7.454 408 2HG GLN 56 HG3 GLN 56 -20.020 14.864 -7.996 409 1HE2 GLN 56 1HE2 GLN 56 -20.132 16.988 -10.774 410 2HE2 GLN 56 2HE2 GLN 56 -19.163 16.257 -9.490 411 H GLU 57 H GLU 57 -24.120 11.553 -6.836 412 HA GLU 57 HA GLU 57 -23.816 9.265 -8.690 413 1HB GLU 57 HB2 GLU 57 -24.416 9.461 -5.712 414 2HB GLU 57 HB3 GLU 57 -24.357 7.946 -6.577 415 1HG GLU 57 HG2 GLU 57 -21.981 9.833 -6.471 416 2HG GLU 57 HG3 GLU 57 -22.273 8.540 -5.307 417 H ASP 58 H ASP 58 -26.329 11.390 -7.977 418 HA ASP 58 HA ASP 58 -28.297 9.545 -9.133 419 1HB ASP 58 HB2 ASP 58 -28.279 8.957 -6.653 420 2HB ASP 58 HB3 ASP 58 -28.786 10.564 -6.301 421 H ASN 59 H ASN 59 -27.463 12.808 -8.087 422 HA ASN 59 HA ASN 59 -29.883 13.836 -9.571 423 1HB ASN 59 HB2 ASN 59 -27.909 15.256 -7.723 424 2HB ASN 59 HB3 ASN 59 -29.109 16.077 -8.715 425 1HD2 ASN 59 1HD2 ASN 59 -30.788 15.850 -5.528 426 2HD2 ASN 59 2HD2 ASN 59 -29.448 16.756 -6.241 427 H GLU 60 H GLU 60 -29.719 14.432 -11.572 428 HA GLU 60 HA GLU 60 -27.195 15.334 -12.893 429 1HB GLU 60 HB2 GLU 60 -28.837 12.896 -13.658 430 2HB GLU 60 HB3 GLU 60 -27.508 13.526 -14.616 431 1HG GLU 60 HG2 GLU 60 -25.920 12.968 -12.753 432 2HG GLU 60 HG3 GLU 60 -27.286 12.185 -11.917 433 H GLU 61 H GLU 61 -30.216 16.152 -12.421 434 HA GLU 61 HA GLU 61 -31.880 16.012 -14.513 435 1HB GLU 61 HB2 GLU 61 -33.053 17.890 -13.698 436 2HB GLU 61 HB3 GLU 61 -32.346 16.996 -12.371 437 1HG GLU 61 HG2 GLU 61 -30.512 18.681 -12.212 438 2HG GLU 61 HG3 GLU 61 -31.255 19.592 -13.519 439 H LYS 62 H LYS 62 -29.163 18.224 -14.694 440 HA LYS 62 HA LYS 62 -29.342 18.235 -17.564 441 1HB LYS 62 HB2 LYS 62 -29.501 20.627 -18.020 442 2HB LYS 62 HB3 LYS 62 -30.956 20.019 -17.233 443 1HG LYS 62 HG2 LYS 62 -29.993 20.945 -15.015 444 2HG LYS 62 HG3 LYS 62 -28.755 21.730 -15.991 445 1HD LYS 62 HD2 LYS 62 -30.632 22.789 -17.340 446 2HD LYS 62 HD3 LYS 62 -31.771 22.154 -16.127 447 1HE LYS 62 HE2 LYS 62 -30.548 23.408 -14.354 448 2HE LYS 62 HE3 LYS 62 -29.310 23.894 -15.537 449 1HZ LYS 62 HZ1 LYS 62 -32.132 24.803 -15.471 450 2HZ LYS 62 HZ2 LYS 62 -30.769 25.699 -15.235 451 3HZ LYS 62 HZ3 LYS 62 -31.092 25.106 -16.735 452 H TYR 63 H TYR 63 -27.445 17.135 -16.008 453 HA TYR 63 HA TYR 63 -25.098 18.553 -16.920 454 1HB TYR 63 HB2 TYR 63 -24.096 18.836 -14.670 455 2HB TYR 63 HB3 TYR 63 -25.404 19.911 -15.012 456 HD1 TYR 63 HD1 TYR 63 -27.326 20.013 -13.630 457 HD2 TYR 63 HD2 TYR 63 -24.394 16.902 -13.069 458 HE1 TYR 63 HE1 TYR 63 -28.290 19.560 -11.397 459 HE2 TYR 63 HE2 TYR 63 -25.310 16.469 -10.803 460 HH TYR 63 HH TYR 63 -26.866 17.020 -9.256 461 H SER 64 H SER 64 -23.039 17.635 -16.281 462 HA SER 64 HA SER 64 -22.806 14.809 -15.568 463 1HB SER 64 HB2 SER 64 -22.406 15.766 -18.421 464 2HB SER 64 HB3 SER 64 -21.736 14.264 -17.798 465 HG SER 64 HG SER 64 -24.455 14.683 -17.415 466 H PHE 65 H PHE 65 -20.526 14.211 -15.255 467 HA PHE 65 HA PHE 65 -18.575 16.416 -15.404 468 1HB PHE 65 HB2 PHE 65 -18.301 16.060 -13.009 469 2HB PHE 65 HB3 PHE 65 -19.999 16.326 -13.406 470 HD1 PHE 65 HD1 PHE 65 -21.689 14.535 -13.146 471 HD2 PHE 65 HD2 PHE 65 -17.523 13.856 -12.233 472 HE1 PHE 65 HE1 PHE 65 -22.259 12.366 -12.081 473 HE2 PHE 65 HE2 PHE 65 -18.119 11.710 -11.155 474 HZ PHE 65 HZ PHE 65 -20.501 10.946 -11.104 475 H ASN 66 H ASN 66 -16.508 15.527 -14.088 476 HA ASN 66 HA ASN 66 -15.290 13.657 -16.001 477 1HB ASN 66 HB2 ASN 66 -13.250 14.788 -15.411 478 2HB ASN 66 HB3 ASN 66 -14.511 16.002 -15.660 479 1HD2 ASN 66 1HD2 ASN 66 -12.672 16.965 -12.597 480 2HD2 ASN 66 2HD2 ASN 66 -12.353 16.934 -14.334 481 H TYR 67 H TYR 67 -13.075 12.712 -14.918 482 HA TYR 67 HA TYR 67 -13.876 10.535 -13.213 483 1HB TYR 67 HB2 TYR 67 -11.516 9.862 -13.418 484 2HB TYR 67 HB3 TYR 67 -12.224 10.254 -14.973 485 HD1 TYR 67 HD1 TYR 67 -11.380 12.050 -16.329 486 HD2 TYR 67 HD2 TYR 67 -9.860 11.439 -12.325 487 HE1 TYR 67 HE1 TYR 67 -9.579 13.700 -16.770 488 HE2 TYR 67 HE2 TYR 67 -8.000 13.058 -12.798 489 HH TYR 67 HH TYR 67 -7.712 14.763 -15.908 490 H ASP 68 H ASP 68 -12.574 13.671 -12.442 491 HA ASP 68 HA ASP 68 -11.553 12.999 -9.755 492 1HB ASP 68 HB2 ASP 68 -10.645 14.774 -11.278 493 2HB ASP 68 HB3 ASP 68 -12.168 15.659 -11.097 494 H GLY 69 H GLY 69 -14.643 13.758 -11.177 495 1HA GLY 69 HA2 GLY 69 -16.744 13.628 -10.157 496 2HA GLY 69 HA3 GLY 69 -16.012 13.741 -8.556 497 H SER 70 H SER 70 -14.768 16.159 -10.575 498 HA SER 70 HA SER 70 -16.355 18.185 -9.094 499 1HB SER 70 HB2 SER 70 -14.298 19.540 -9.215 500 2HB SER 70 HB3 SER 70 -14.051 17.954 -8.423 501 HG SER 70 HG SER 70 -12.603 17.552 -9.795 502 H GLU 71 H GLU 71 -15.100 17.631 -12.417 503 HA GLU 71 HA GLU 71 -15.814 20.376 -13.143 504 1HB GLU 71 HB2 GLU 71 -14.789 18.131 -14.820 505 2HB GLU 71 HB3 GLU 71 -15.227 19.720 -15.473 506 1HG GLU 71 HG2 GLU 71 -13.585 20.799 -13.993 507 2HG GLU 71 HG3 GLU 71 -13.133 19.256 -13.279 508 H LEU 72 H LEU 72 -17.877 20.460 -12.482 509 HA LEU 72 HA LEU 72 -20.038 18.855 -13.579 510 1HB LEU 72 HB2 LEU 72 -20.008 19.716 -11.291 511 2HB LEU 72 HB3 LEU 72 -19.899 21.384 -11.889 512 HG LEU 72 HG LEU 72 -22.185 21.129 -12.899 513 1HD1 LEU 72 1HD1 LEU 72 -22.182 18.522 -11.349 514 2HD1 LEU 72 2HD1 LEU 72 -23.585 19.298 -12.147 515 3HD1 LEU 72 3HD1 LEU 72 -22.260 18.670 -13.134 516 1HD2 LEU 72 1HD2 LEU 72 -22.011 20.553 -9.929 517 2HD2 LEU 72 2HD2 LEU 72 -21.840 22.165 -10.693 518 3HD2 LEU 72 3HD2 LEU 72 -23.384 21.292 -10.780 519 H ILE 73 H ILE 73 -20.428 19.067 -15.700 520 HA ILE 73 HA ILE 73 -20.514 21.751 -17.000 521 HB ILE 73 HB ILE 73 -21.055 19.061 -18.268 522 1HG1 ILE 73 2HG1 ILE 73 -18.408 20.456 -18.679 523 2HG1 ILE 73 3HG1 ILE 73 -18.591 19.406 -17.287 524 1HG2 ILE 73 1HG2 ILE 73 -20.613 20.349 -20.346 525 2HG2 ILE 73 2HG2 ILE 73 -21.884 21.138 -19.414 526 3HG2 ILE 73 3HG2 ILE 73 -20.254 21.809 -19.361 527 1HD1 ILE 73 1HD1 ILE 73 -19.109 18.499 -20.112 528 2HD1 ILE 73 2HD1 ILE 73 -17.650 18.175 -19.160 529 3HD1 ILE 73 3HD1 ILE 73 -19.201 17.515 -18.623 530 H ILE 74 H ILE 74 -22.339 22.794 -16.951 531 HA ILE 74 HA ILE 74 -24.931 21.368 -16.488 532 HB ILE 74 HB ILE 74 -24.256 24.279 -15.939 533 1HG1 ILE 74 2HG1 ILE 74 -24.498 21.979 -13.942 534 2HG1 ILE 74 3HG1 ILE 74 -22.993 22.759 -14.408 535 1HG2 ILE 74 1HG2 ILE 74 -26.669 22.610 -15.089 536 2HG2 ILE 74 2HG2 ILE 74 -26.420 24.341 -14.801 537 3HG2 ILE 74 3HG2 ILE 74 -26.672 23.768 -16.437 538 1HD1 ILE 74 1HD1 ILE 74 -25.292 24.078 -12.904 539 2HD1 ILE 74 2HD1 ILE 74 -23.700 23.624 -12.278 540 3HD1 ILE 74 3HD1 ILE 74 -23.860 24.934 -13.497 541 H LYS 75 H LYS 75 -26.185 21.279 -18.238 542 HA LYS 75 HA LYS 75 -25.847 23.271 -20.465 543 1HB LYS 75 HB2 LYS 75 -26.923 21.719 -21.925 544 2HB LYS 75 HB3 LYS 75 -25.662 20.857 -21.040 545 1HG LYS 75 HG2 LYS 75 -27.415 19.939 -19.495 546 2HG LYS 75 HG3 LYS 75 -28.665 20.712 -20.497 547 1HD LYS 75 HD2 LYS 75 -26.656 18.595 -21.393 548 2HD LYS 75 HD3 LYS 75 -28.332 18.294 -20.981 549 1HE LYS 75 HE2 LYS 75 -29.050 19.862 -22.827 550 2HE LYS 75 HE3 LYS 75 -27.330 20.004 -23.304 551 1HZ LYS 75 HZ1 LYS 75 -27.313 17.604 -23.710 552 2HZ LYS 75 HZ2 LYS 75 -28.899 17.473 -23.286 553 3HZ LYS 75 HZ3 LYS 75 -28.455 18.321 -24.610 554 H LYS 76 H LYS 76 -27.622 24.245 -21.323 555 HA LYS 76 HA LYS 76 -29.543 25.558 -21.308 556 1HB LYS 76 HB2 LYS 76 -30.611 23.444 -21.722 557 2HB LYS 76 HB3 LYS 76 -30.680 23.029 -20.026 558 1HG LYS 76 HG2 LYS 76 -32.835 23.761 -21.168 559 2HG LYS 76 HG3 LYS 76 -32.470 24.483 -19.610 560 1HD LYS 76 HD2 LYS 76 -31.722 26.572 -20.707 561 2HD LYS 76 HD3 LYS 76 -31.934 25.808 -22.305 562 1HE LYS 76 HE2 LYS 76 -34.311 25.712 -22.030 563 2HE LYS 76 HE3 LYS 76 -34.207 26.039 -20.304 564 1HZ LYS 76 HZ1 LYS 76 -34.845 28.016 -21.618 565 2HZ LYS 76 HZ2 LYS 76 -33.460 28.260 -20.769 566 3HZ LYS 76 HZ3 LYS 76 -33.401 27.966 -22.391 567 H VAL 77 H VAL 77 -27.868 26.544 -19.791 568 HA VAL 77 HA VAL 77 -28.609 26.869 -16.983 569 HB VAL 77 HB VAL 77 -26.663 28.452 -18.716 570 1HG1 VAL 77 1HG1 VAL 77 -25.741 29.160 -16.471 571 2HG1 VAL 77 2HG1 VAL 77 -27.337 29.805 -16.730 572 3HG1 VAL 77 3HG1 VAL 77 -27.109 28.374 -15.678 573 1HG2 VAL 77 1HG2 VAL 77 -26.034 26.059 -18.413 574 2HG2 VAL 77 2HG2 VAL 77 -24.967 27.151 -17.496 575 3HG2 VAL 77 3HG2 VAL 77 -26.244 26.222 -16.667 576 H ASP 78 H ASP 78 -29.793 28.387 -16.022 577 HA ASP 78 HA ASP 78 -30.468 30.902 -17.318 578 1HB ASP 78 HB2 ASP 78 -32.573 28.811 -16.718 579 2HB ASP 78 HB3 ASP 78 -32.998 30.507 -16.562 580 H LYS 79 H LYS 79 -31.998 32.193 -15.526 581 HA LYS 79 HA LYS 79 -30.136 32.720 -13.453 582 1HB LYS 79 HB2 LYS 79 -33.043 33.530 -13.771 583 2HB LYS 79 HB3 LYS 79 -32.000 34.133 -12.479 584 1HG LYS 79 HG2 LYS 79 -30.377 34.919 -14.317 585 2HG LYS 79 HG3 LYS 79 -31.690 34.590 -15.460 586 1HD LYS 79 HD2 LYS 79 -31.859 36.460 -13.044 587 2HD LYS 79 HD3 LYS 79 -31.544 36.995 -14.688 588 1HE LYS 79 HE2 LYS 79 -33.748 36.089 -15.428 589 2HE LYS 79 HE3 LYS 79 -34.068 35.536 -13.765 590 1HZ LYS 79 HZ1 LYS 79 -33.658 38.399 -14.538 591 2HZ LYS 79 HZ2 LYS 79 -35.100 37.696 -14.186 592 3HZ LYS 79 HZ3 LYS 79 -33.951 37.872 -13.019 593 H SER 80 H SER 80 -32.628 30.300 -13.419 594 HA SER 80 HA SER 80 -32.876 29.963 -10.570 595 1HB SER 80 HB2 SER 80 -33.759 27.724 -11.222 596 2HB SER 80 HB3 SER 80 -34.569 29.113 -11.998 597 HG SER 80 HG SER 80 -34.094 27.419 -13.496 598 H ASP 81 H ASP 81 -30.257 29.251 -12.687 599 HA ASP 81 HA ASP 81 -29.132 27.112 -11.006 600 1HB ASP 81 HB2 ASP 81 -28.093 28.533 -13.475 601 2HB ASP 81 HB3 ASP 81 -27.276 27.212 -12.686 602 H GLU 82 H GLU 82 -29.120 30.469 -10.671 603 HA GLU 82 HA GLU 82 -26.549 31.115 -9.716 604 1HB GLU 82 HB2 GLU 82 -28.476 32.674 -9.997 605 2HB GLU 82 HB3 GLU 82 -29.278 31.922 -8.605 606 1HG GLU 82 HG2 GLU 82 -27.307 32.708 -7.191 607 2HG GLU 82 HG3 GLU 82 -26.657 33.484 -8.640 608 H ALA 83 H ALA 83 -25.380 30.728 -7.856 609 HA ALA 83 HA ALA 83 -26.501 29.127 -5.630 610 1HB ALA 83 HB1 ALA 83 -26.115 27.482 -7.485 611 2HB ALA 83 HB2 ALA 83 -24.405 27.941 -7.504 612 3HB ALA 83 HB3 ALA 83 -25.101 27.161 -6.057 613 H GLU 84 H GLU 84 -24.961 28.670 -3.959 614 HA GLU 84 HA GLU 84 -22.339 30.069 -4.010 615 1HB GLU 84 HB2 GLU 84 -24.033 31.512 -2.841 616 2HB GLU 84 HB3 GLU 84 -24.167 30.232 -1.613 617 1HG GLU 84 HG2 GLU 84 -21.695 30.412 -1.224 618 2HG GLU 84 HG3 GLU 84 -21.587 31.667 -2.441 619 H TYR 85 H TYR 85 -22.050 27.916 -4.760 620 HA TYR 85 HA TYR 85 -22.621 25.478 -3.656 621 1HB TYR 85 HB2 TYR 85 -20.068 26.296 -5.021 622 2HB TYR 85 HB3 TYR 85 -20.642 24.634 -4.833 623 HD1 TYR 85 HD1 TYR 85 -23.035 24.154 -5.764 624 HD2 TYR 85 HD2 TYR 85 -20.485 27.364 -7.121 625 HE1 TYR 85 HE1 TYR 85 -24.181 24.149 -7.975 626 HE2 TYR 85 HE2 TYR 85 -21.626 27.376 -9.304 627 HH TYR 85 HH TYR 85 -23.335 26.456 -10.557 628 H ILE 86 H ILE 86 -22.109 24.328 -1.938 629 HA ILE 86 HA ILE 86 -19.495 24.824 -0.563 630 HB ILE 86 HB ILE 86 -22.038 23.841 0.778 631 1HG1 ILE 86 2HG1 ILE 86 -20.572 26.495 0.922 632 2HG1 ILE 86 3HG1 ILE 86 -22.211 26.226 0.274 633 1HG2 ILE 86 1HG2 ILE 86 -19.283 24.453 1.900 634 2HG2 ILE 86 2HG2 ILE 86 -20.671 23.907 2.851 635 3HG2 ILE 86 3HG2 ILE 86 -19.942 22.836 1.655 636 1HD1 ILE 86 1HD1 ILE 86 -22.960 25.549 2.558 637 2HD1 ILE 86 2HD1 ILE 86 -21.373 26.015 3.190 638 3HD1 ILE 86 3HD1 ILE 86 -22.411 27.247 2.447 639 H CYS 87 H CYS 87 -18.174 23.138 -0.609 640 HA CYS 87 HA CYS 87 -19.140 20.490 -1.463 641 1HB CYS 87 HB2 CYS 87 -16.899 20.356 -2.729 642 2HB CYS 87 HB3 CYS 87 -18.186 21.267 -3.465 643 H ILE 88 H ILE 88 -18.323 18.730 -0.580 644 HA ILE 88 HA ILE 88 -16.391 18.988 1.680 645 HB ILE 88 HB ILE 88 -19.140 17.682 1.665 646 1HG1 ILE 88 2HG1 ILE 88 -18.200 20.203 3.104 647 2HG1 ILE 88 3HG1 ILE 88 -19.373 20.147 1.777 648 1HG2 ILE 88 1HG2 ILE 88 -18.739 17.285 4.128 649 2HG2 ILE 88 2HG2 ILE 88 -17.570 16.455 3.129 650 3HG2 ILE 88 3HG2 ILE 88 -17.101 17.980 3.920 651 1HD1 ILE 88 1HD1 ILE 88 -20.587 20.487 3.789 652 2HD1 ILE 88 2HD1 ILE 88 -20.896 18.806 3.298 653 3HD1 ILE 88 3HD1 ILE 88 -19.772 19.213 4.642 654 H ALA 89 H ALA 89 -15.158 17.163 2.048 655 HA ALA 89 HA ALA 89 -15.706 14.711 0.499 656 1HB ALA 89 HB1 ALA 89 -13.077 16.256 0.349 657 2HB ALA 89 HB2 ALA 89 -13.430 14.697 -0.440 658 3HB ALA 89 HB3 ALA 89 -14.284 16.154 -0.954 659 H GLU 90 H GLU 90 -14.543 12.891 1.126 660 HA GLU 90 HA GLU 90 -13.124 12.822 3.734 661 1HB GLU 90 HB2 GLU 90 -15.576 12.877 4.197 662 2HB GLU 90 HB3 GLU 90 -15.799 11.458 3.179 663 1HG GLU 90 HG2 GLU 90 -14.305 10.160 4.737 664 2HG GLU 90 HG3 GLU 90 -14.182 11.587 5.753 665 H ASN 91 H ASN 91 -11.864 10.963 3.941 666 HA ASN 91 HA ASN 91 -12.451 8.588 2.377 667 1HB ASN 91 HB2 ASN 91 -10.605 8.381 1.024 668 2HB ASN 91 HB3 ASN 91 -11.011 10.067 0.855 669 1HD2 ASN 91 1HD2 ASN 91 -7.335 9.860 1.112 670 2HD2 ASN 91 2HD2 ASN 91 -8.544 9.217 0.011 671 H LYS 92 H LYS 92 -10.335 7.002 2.887 672 HA LYS 92 HA LYS 92 -10.526 6.310 5.640 673 1HB LYS 92 HB2 LYS 92 -8.485 4.850 5.043 674 2HB LYS 92 HB3 LYS 92 -10.035 4.504 4.310 675 1HG LYS 92 HG2 LYS 92 -8.099 6.235 2.793 676 2HG LYS 92 HG3 LYS 92 -7.796 4.512 2.933 677 1HD LYS 92 HD2 LYS 92 -10.398 5.624 1.800 678 2HD LYS 92 HD3 LYS 92 -9.024 5.229 0.828 679 1HE LYS 92 HE2 LYS 92 -9.106 2.880 1.604 680 2HE LYS 92 HE3 LYS 92 -10.456 3.253 2.661 681 1HZ LYS 92 HZ1 LYS 92 -11.276 2.323 0.575 682 2HZ LYS 92 HZ2 LYS 92 -11.756 3.888 0.683 683 3HZ LYS 92 HZ3 LYS 92 -10.514 3.470 -0.301 684 H ALA 93 H ALA 93 -8.334 8.535 4.166 685 HA ALA 93 HA ALA 93 -6.501 8.573 6.503 686 1HB ALA 93 HB1 ALA 93 -6.303 9.929 3.774 687 2HB ALA 93 HB2 ALA 93 -5.042 9.862 5.014 688 3HB ALA 93 HB3 ALA 93 -5.579 8.363 4.206 689 H GLY 94 H GLY 94 -9.185 10.557 5.259 690 1HA GLY 94 HA2 GLY 94 -9.195 12.239 7.539 691 2HA GLY 94 HA3 GLY 94 -8.273 13.064 6.273 692 H GLU 95 H GLU 95 -9.840 14.735 6.424 693 HA GLU 95 HA GLU 95 -12.267 14.433 4.788 694 1HB GLU 95 HB2 GLU 95 -12.841 13.703 7.141 695 2HB GLU 95 HB3 GLU 95 -12.343 15.300 7.710 696 1HG GLU 95 HG2 GLU 95 -14.179 16.304 6.297 697 2HG GLU 95 HG3 GLU 95 -14.687 14.671 5.867 698 H GLN 96 H GLN 96 -13.066 16.492 4.057 699 HA GLN 96 HA GLN 96 -11.562 18.985 4.691 700 1HB GLN 96 HB2 GLN 96 -10.319 17.264 3.066 701 2HB GLN 96 HB3 GLN 96 -11.469 17.841 1.898 702 1HG GLN 96 HG2 GLN 96 -9.507 19.186 1.561 703 2HG GLN 96 HG3 GLN 96 -10.571 20.239 2.445 704 1HE2 GLN 96 1HE2 GLN 96 -7.285 18.608 4.389 705 2HE2 GLN 96 2HE2 GLN 96 -8.007 17.753 3.019 706 H ASP 97 H ASP 97 -12.283 20.880 3.282 707 HA ASP 97 HA ASP 97 -14.731 20.602 1.727 708 1HB ASP 97 HB2 ASP 97 -16.103 22.059 3.025 709 2HB ASP 97 HB3 ASP 97 -15.616 20.710 4.048 710 H ALA 98 H ALA 98 -15.411 22.504 0.635 711 HA ALA 98 HA ALA 98 -13.820 24.971 0.699 712 1HB ALA 98 HB1 ALA 98 -13.312 24.839 -1.819 713 2HB ALA 98 HB2 ALA 98 -12.422 23.726 -0.780 714 3HB ALA 98 HB3 ALA 98 -13.778 23.118 -1.706 715 H THR 99 H THR 99 -14.677 26.489 -1.173 716 HA THR 99 HA THR 99 -17.645 26.425 -1.386 717 HB THR 99 HB THR 99 -16.012 28.624 -0.067 718 HG1 THR 99 HG1 THR 99 -16.984 28.004 1.808 719 1HG2 THR 99 1HG2 THR 99 -19.037 28.364 -0.467 720 2HG2 THR 99 2HG2 THR 99 -18.257 29.537 0.626 721 3HG2 THR 99 3HG2 THR 99 -17.977 29.648 -1.123 722 H ILE 100 H ILE 100 -18.481 27.689 -3.047 723 HA ILE 100 HA ILE 100 -16.757 29.422 -4.741 724 HB ILE 100 HB ILE 100 -18.336 27.048 -5.842 725 1HG1 ILE 100 2HG1 ILE 100 -15.333 27.445 -5.639 726 2HG1 ILE 100 3HG1 ILE 100 -16.334 26.272 -4.767 727 1HG2 ILE 100 1HG2 ILE 100 -18.463 28.890 -7.432 728 2HG2 ILE 100 2HG2 ILE 100 -16.705 29.151 -7.321 729 3HG2 ILE 100 3HG2 ILE 100 -17.383 27.691 -8.050 730 1HD1 ILE 100 1HD1 ILE 100 -15.223 25.113 -6.464 731 2HD1 ILE 100 2HD1 ILE 100 -16.948 25.200 -6.938 732 3HD1 ILE 100 3HD1 ILE 100 -15.731 26.227 -7.732 733 H HIS 101 H HIS 101 -18.132 30.841 -6.140 734 HA HIS 101 HA HIS 101 -21.082 30.818 -5.602 735 1HB HIS 101 HB2 HIS 101 -20.049 32.585 -4.314 736 2HB HIS 101 HB3 HIS 101 -19.218 33.202 -5.737 737 HD1 HIS 101 HD1 HIS 101 -23.026 32.380 -5.392 738 HD2 HIS 101 HD2 HIS 101 -20.296 35.516 -6.069 739 HE1 HIS 101 HE1 HIS 101 -24.410 34.425 -5.929 740 H LEU 102 H LEU 102 -22.409 31.466 -7.339 741 HA LEU 102 HA LEU 102 -21.123 31.867 -10.001 742 1HB LEU 102 HB2 LEU 102 -21.764 29.544 -9.884 743 2HB LEU 102 HB3 LEU 102 -23.319 29.936 -9.170 744 HG LEU 102 HG LEU 102 -24.088 30.965 -11.254 745 1HD1 LEU 102 1HD1 LEU 102 -21.466 30.019 -12.457 746 2HD1 LEU 102 2HD1 LEU 102 -22.812 30.698 -13.368 747 3HD1 LEU 102 3HD1 LEU 102 -21.928 31.709 -12.205 748 1HD2 LEU 102 1HD2 LEU 102 -22.961 28.198 -11.718 749 2HD2 LEU 102 2HD2 LEU 102 -24.444 28.565 -10.808 750 3HD2 LEU 102 3HD2 LEU 102 -24.340 28.892 -12.550 751 H LYS 103 H LYS 103 -21.616 33.786 -10.611 752 HA LYS 103 HA LYS 103 -24.235 35.064 -10.044 753 1HB LYS 103 HB2 LYS 103 -21.691 36.127 -11.359 754 2HB LYS 103 HB3 LYS 103 -23.153 37.068 -11.083 755 1HG LYS 103 HG2 LYS 103 -22.960 36.582 -8.642 756 2HG LYS 103 HG3 LYS 103 -21.389 35.818 -8.938 757 1HD LYS 103 HD2 LYS 103 -20.572 38.017 -9.920 758 2HD LYS 103 HD3 LYS 103 -22.126 38.731 -9.475 759 1HE LYS 103 HE2 LYS 103 -20.096 37.501 -7.536 760 2HE LYS 103 HE3 LYS 103 -20.320 39.235 -7.825 761 1HZ LYS 103 HZ1 LYS 103 -22.352 37.396 -6.649 762 2HZ LYS 103 HZ2 LYS 103 -21.553 38.575 -5.863 763 3HZ LYS 103 HZ3 LYS 103 -22.638 38.965 -7.027 764 H VAL 104 H VAL 104 -25.848 34.351 -11.354 765 HA VAL 104 HA VAL 104 -25.332 34.121 -14.292 766 HB VAL 104 HB VAL 104 -27.857 33.331 -12.809 767 1HG1 VAL 104 1HG1 VAL 104 -26.741 32.711 -15.593 768 2HG1 VAL 104 2HG1 VAL 104 -28.169 31.958 -14.869 769 3HG1 VAL 104 3HG1 VAL 104 -28.167 33.690 -15.224 770 1HG2 VAL 104 1HG2 VAL 104 -26.082 31.940 -11.947 771 2HG2 VAL 104 2HG2 VAL 104 -27.058 30.997 -13.054 772 3HG2 VAL 104 3HG2 VAL 104 -25.466 31.627 -13.574 773 H PHE 105 H PHE 105 -25.999 35.701 -15.718 774 HA PHE 105 HA PHE 105 -28.089 37.645 -14.843 775 1HB PHE 105 HB2 PHE 105 -26.799 39.196 -16.326 776 2HB PHE 105 HB3 PHE 105 -26.056 38.780 -14.802 777 HD1 PHE 105 HD1 PHE 105 -25.913 38.080 -18.492 778 HD2 PHE 105 HD2 PHE 105 -23.853 37.910 -14.707 779 HE1 PHE 105 HE1 PHE 105 -23.806 37.545 -19.676 780 HE2 PHE 105 HE2 PHE 105 -21.744 37.419 -15.877 781 HZ PHE 105 HZ PHE 105 -21.691 37.263 -18.381 782 H ALA 106 H ALA 106 -29.680 38.217 -16.290 783 HA ALA 106 HA ALA 106 -30.004 36.483 -18.682 784 1HB ALA 106 HB1 ALA 106 -31.931 38.338 -17.229 785 2HB ALA 106 HB2 ALA 106 -32.352 37.275 -18.586 786 3HB ALA 106 HB3 ALA 106 -31.792 36.556 -17.046 787 H LYS 107 H LYS 107 -28.000 38.182 -19.174 788 HA LYS 107 HA LYS 107 -27.079 39.755 -20.520 789 1HB LYS 107 HB2 LYS 107 -29.706 39.792 -22.059 790 2HB LYS 107 HB3 LYS 107 -28.127 40.317 -22.634 791 1HG LYS 107 HG2 LYS 107 -27.233 37.991 -22.399 792 2HG LYS 107 HG3 LYS 107 -28.837 37.434 -21.921 793 1HD LYS 107 HD2 LYS 107 -28.067 38.649 -24.600 794 2HD LYS 107 HD3 LYS 107 -28.429 36.955 -24.254 795 1HE LYS 107 HE2 LYS 107 -30.371 39.314 -24.114 796 2HE LYS 107 HE3 LYS 107 -30.288 38.134 -25.426 797 1HZ LYS 107 HZ1 LYS 107 -30.940 37.445 -22.622 798 2HZ LYS 107 HZ2 LYS 107 -32.056 37.622 -23.797 799 3HZ LYS 107 HZ3 LYS 107 -30.987 36.395 -23.905 Start of MODEL 7 1 1H GLY 1 H1 GLY 1 -4.523 1.455 9.125 2 2H GLY 1 H2 GLY 1 -2.876 1.570 9.323 3 3H GLY 1 H3 GLY 1 -3.779 2.919 8.997 4 1HA GLY 1 HA2 GLY 1 -3.306 0.644 7.176 5 2HA GLY 1 HA3 GLY 1 -4.340 2.031 6.812 6 H LYS 2 H LYS 2 -2.237 1.455 5.105 7 HA LYS 2 HA LYS 2 -0.818 3.949 5.062 8 1HB LYS 2 HB2 LYS 2 1.418 3.246 5.149 9 2HB LYS 2 HB3 LYS 2 0.657 2.675 6.609 10 1HG LYS 2 HG2 LYS 2 0.809 0.434 6.043 11 2HG LYS 2 HG3 LYS 2 0.771 0.736 4.312 12 1HD LYS 2 HD2 LYS 2 3.083 1.797 4.493 13 2HD LYS 2 HD3 LYS 2 3.136 1.276 6.151 14 1HE LYS 2 HE2 LYS 2 4.288 -0.451 5.202 15 2HE LYS 2 HE3 LYS 2 2.652 -1.123 5.115 16 1HZ LYS 2 HZ1 LYS 2 2.518 -0.274 2.811 17 2HZ LYS 2 HZ2 LYS 2 4.027 0.325 2.895 18 3HZ LYS 2 HZ3 LYS 2 3.807 -1.305 2.970 19 H ASP 3 H ASP 3 1.003 3.608 3.154 20 HA ASP 3 HA ASP 3 -0.552 2.904 0.712 21 1HB ASP 3 HB2 ASP 3 0.890 5.018 1.105 22 2HB ASP 3 HB3 ASP 3 2.292 3.955 0.989 23 H ILE 4 H ILE 4 1.354 1.933 -0.996 24 HA ILE 4 HA ILE 4 1.977 -0.796 0.032 25 HB ILE 4 HB ILE 4 2.141 0.534 -2.726 26 1HG1 ILE 4 2HG1 ILE 4 0.604 -1.270 -3.407 27 2HG1 ILE 4 3HG1 ILE 4 0.589 -1.917 -1.782 28 1HG2 ILE 4 1HG2 ILE 4 2.901 -1.634 -3.637 29 2HG2 ILE 4 2HG2 ILE 4 4.097 -0.914 -2.571 30 3HG2 ILE 4 3HG2 ILE 4 3.077 -2.260 -1.981 31 1HD1 ILE 4 1HD1 ILE 4 -0.466 0.843 -2.577 32 2HD1 ILE 4 2HD1 ILE 4 -1.456 -0.641 -2.450 33 3HD1 ILE 4 3HD1 ILE 4 -0.695 0.019 -1.026 34 H GLN 5 H GLN 5 3.560 2.242 -0.876 35 HA GLN 5 HA GLN 5 6.282 1.216 -0.310 36 1HB GLN 5 HB2 GLN 5 5.224 4.069 -0.852 37 2HB GLN 5 HB3 GLN 5 6.907 3.592 -0.735 38 1HG GLN 5 HG2 GLN 5 4.964 2.679 -2.883 39 2HG GLN 5 HG3 GLN 5 6.313 3.816 -3.059 40 1HE2 GLN 5 1HE2 GLN 5 7.225 0.179 -4.042 41 2HE2 GLN 5 2HE2 GLN 5 5.724 1.045 -4.297 42 H VAL 6 H VAL 6 7.503 3.094 1.166 43 HA VAL 6 HA VAL 6 6.326 2.886 3.860 44 HB VAL 6 HB VAL 6 9.017 4.120 3.167 45 1HG1 VAL 6 1HG1 VAL 6 8.006 4.581 5.446 46 2HG1 VAL 6 2HG1 VAL 6 7.867 2.810 5.688 47 3HG1 VAL 6 3HG1 VAL 6 9.472 3.606 5.521 48 1HG2 VAL 6 1HG2 VAL 6 9.149 1.845 2.342 49 2HG2 VAL 6 2HG2 VAL 6 9.990 1.926 3.886 50 3HG2 VAL 6 3HG2 VAL 6 8.355 1.210 3.794 51 H ILE 7 H ILE 7 4.583 4.138 2.899 52 HA ILE 7 HA ILE 7 4.660 7.059 3.352 53 HB ILE 7 HB ILE 7 3.804 5.646 0.790 54 1HG1 ILE 7 2HG1 ILE 7 6.187 6.144 0.732 55 2HG1 ILE 7 3HG1 ILE 7 5.293 7.048 -0.464 56 1HG2 ILE 7 1HG2 ILE 7 3.097 7.865 -0.092 57 2HG2 ILE 7 2HG2 ILE 7 2.051 7.230 1.172 58 3HG2 ILE 7 3HG2 ILE 7 3.224 8.509 1.552 59 1HD1 ILE 7 1HD1 ILE 7 6.254 8.192 2.198 60 2HD1 ILE 7 2HD1 ILE 7 7.039 8.455 0.637 61 3HD1 ILE 7 3HD1 ILE 7 5.403 9.125 0.955 62 H VAL 8 H VAL 8 2.384 7.877 3.600 63 HA VAL 8 HA VAL 8 0.596 5.734 4.681 64 HB VAL 8 HB VAL 8 1.197 8.416 5.933 65 1HG1 VAL 8 1HG1 VAL 8 -0.617 6.148 6.876 66 2HG1 VAL 8 2HG1 VAL 8 -0.162 7.595 7.833 67 3HG1 VAL 8 3HG1 VAL 8 -1.128 7.769 6.370 68 1HG2 VAL 8 1HG2 VAL 8 1.871 5.578 6.849 69 2HG2 VAL 8 2HG2 VAL 8 3.038 6.810 6.323 70 3HG2 VAL 8 3HG2 VAL 8 2.144 7.048 7.820 71 H ASN 9 H ASN 9 -1.589 6.099 4.481 72 HA ASN 9 HA ASN 9 -2.568 7.198 2.147 73 1HB ASN 9 HB2 ASN 9 -4.137 6.866 4.727 74 2HB ASN 9 HB3 ASN 9 -4.800 6.848 3.070 75 1HD2 ASN 9 1HD2 ASN 9 -3.164 3.522 2.522 76 2HD2 ASN 9 2HD2 ASN 9 -3.361 5.058 1.661 77 H VAL 10 H VAL 10 -3.215 8.997 1.372 78 HA VAL 10 HA VAL 10 -2.696 11.484 2.825 79 HB VAL 10 HB VAL 10 -3.260 10.901 -0.085 80 1HG1 VAL 10 1HG1 VAL 10 -3.884 13.188 0.332 81 2HG1 VAL 10 2HG1 VAL 10 -2.383 13.497 1.247 82 3HG1 VAL 10 3HG1 VAL 10 -2.372 13.207 -0.519 83 1HG2 VAL 10 1HG2 VAL 10 -0.825 11.392 -0.380 84 2HG2 VAL 10 2HG2 VAL 10 -0.665 11.504 1.389 85 3HG2 VAL 10 3HG2 VAL 10 -1.095 9.969 0.623 86 HA PRO 11 HA PRO 11 -7.136 12.206 3.567 87 1HB PRO 11 HB2 PRO 11 -6.048 15.022 3.864 88 2HB PRO 11 HB3 PRO 11 -7.233 14.155 4.886 89 1HG PRO 11 HG2 PRO 11 -4.671 14.388 5.720 90 2HG PRO 11 HG3 PRO 11 -5.506 12.804 5.854 91 1HD PRO 11 HD2 PRO 11 -3.598 13.737 3.685 92 2HD PRO 11 HD3 PRO 11 -3.609 12.194 4.575 93 HA PRO 12 HA PRO 12 -8.699 13.945 -0.224 94 1HB PRO 12 HB2 PRO 12 -10.729 15.533 1.317 95 2HB PRO 12 HB3 PRO 12 -10.943 14.337 0.003 96 1HG PRO 12 HG2 PRO 12 -11.508 13.734 2.579 97 2HG PRO 12 HG3 PRO 12 -10.697 12.527 1.516 98 1HD PRO 12 HD2 PRO 12 -9.412 14.400 3.527 99 2HD PRO 12 HD3 PRO 12 -9.178 12.641 3.339 100 H SER 13 H SER 13 -8.035 15.631 -1.441 101 HA SER 13 HA SER 13 -7.262 18.249 -0.183 102 1HB SER 13 HB2 SER 13 -5.472 16.723 -1.134 103 2HB SER 13 HB3 SER 13 -6.173 16.976 -2.733 104 HG SER 13 HG SER 13 -4.461 18.395 -2.329 105 H VAL 14 H VAL 14 -9.897 18.086 -0.649 106 HA VAL 14 HA VAL 14 -10.639 18.766 -3.357 107 HB VAL 14 HB VAL 14 -12.178 17.633 -1.799 108 1HG1 VAL 14 1HG1 VAL 14 -11.841 19.129 0.223 109 2HG1 VAL 14 2HG1 VAL 14 -12.821 20.356 -0.612 110 3HG1 VAL 14 3HG1 VAL 14 -13.521 18.792 -0.210 111 1HG2 VAL 14 1HG2 VAL 14 -12.972 18.706 -3.880 112 2HG2 VAL 14 2HG2 VAL 14 -14.206 18.734 -2.616 113 3HG2 VAL 14 3HG2 VAL 14 -13.259 20.201 -2.985 114 H ARG 15 H ARG 15 -10.897 20.684 -4.360 115 HA ARG 15 HA ARG 15 -10.274 23.214 -2.820 116 1HB ARG 15 HB2 ARG 15 -8.836 21.933 -5.208 117 2HB ARG 15 HB3 ARG 15 -8.689 23.663 -4.858 118 1HG ARG 15 HG2 ARG 15 -7.700 23.266 -2.711 119 2HG ARG 15 HG3 ARG 15 -8.108 21.552 -2.738 120 1HD ARG 15 HD2 ARG 15 -6.660 21.304 -4.797 121 2HD ARG 15 HD3 ARG 15 -6.028 22.916 -4.466 122 HE ARG 15 HE ARG 15 -5.803 20.461 -2.756 123 1HH1 ARG 15 1HH1 ARG 15 -4.302 20.322 -1.237 124 2HH1 ARG 15 2HH1 ARG 15 -3.132 21.618 -0.969 125 1HH2 ARG 15 1HH2 ARG 15 -4.589 23.695 -3.308 126 2HH2 ARG 15 2HH2 ARG 15 -3.322 23.518 -2.120 127 H ALA 16 H ALA 16 -10.644 25.152 -4.017 128 HA ALA 16 HA ALA 16 -12.943 25.010 -5.907 129 1HB ALA 16 HB1 ALA 16 -12.991 26.661 -4.085 130 2HB ALA 16 HB2 ALA 16 -11.473 27.380 -4.681 131 3HB ALA 16 HB3 ALA 16 -12.935 27.465 -5.669 132 H ARG 17 H ARG 17 -12.495 24.627 -8.011 133 HA ARG 17 HA ARG 17 -9.881 25.127 -9.192 134 1HB ARG 17 HB2 ARG 17 -11.552 23.371 -9.929 135 2HB ARG 17 HB3 ARG 17 -12.458 24.670 -10.717 136 1HG ARG 17 HG2 ARG 17 -10.516 25.218 -12.122 137 2HG ARG 17 HG3 ARG 17 -9.525 23.990 -11.300 138 1HD ARG 17 HD2 ARG 17 -12.097 23.392 -12.863 139 2HD ARG 17 HD3 ARG 17 -10.520 23.425 -13.627 140 HE ARG 17 HE ARG 17 -11.671 21.221 -12.191 141 1HH1 ARG 17 1HH1 ARG 17 -8.493 22.651 -12.728 142 2HH1 ARG 17 2HH1 ARG 17 -7.717 21.090 -12.544 143 1HH2 ARG 17 1HH2 ARG 17 -10.659 19.392 -12.019 144 2HH2 ARG 17 2HH2 ARG 17 -8.901 19.278 -12.163 145 H GLN 18 H GLN 18 -12.793 27.005 -8.908 146 HA GLN 18 HA GLN 18 -11.415 29.522 -9.256 147 1HB GLN 18 HB2 GLN 18 -12.053 28.873 -11.656 148 2HB GLN 18 HB3 GLN 18 -13.743 28.910 -11.136 149 1HG GLN 18 HG2 GLN 18 -13.503 31.275 -10.469 150 2HG GLN 18 HG3 GLN 18 -11.799 31.234 -10.916 151 1HE2 GLN 18 1HE2 GLN 18 -14.336 32.393 -13.694 152 2HE2 GLN 18 2HE2 GLN 18 -14.598 32.468 -11.945 153 H SER 19 H SER 19 -12.414 30.956 -7.843 154 HA SER 19 HA SER 19 -14.379 29.712 -6.075 155 1HB SER 19 HB2 SER 19 -13.782 31.564 -4.542 156 2HB SER 19 HB3 SER 19 -12.372 30.648 -5.141 157 HG SER 19 HG SER 19 -12.023 32.918 -5.216 158 H THR 20 H THR 20 -14.654 32.002 -8.565 159 HA THR 20 HA THR 20 -17.499 32.518 -7.900 160 HB THR 20 HB THR 20 -15.514 34.752 -8.486 161 HG1 THR 20 HG1 THR 20 -16.221 35.545 -6.539 162 1HG2 THR 20 1HG2 THR 20 -18.533 34.873 -8.171 163 2HG2 THR 20 2HG2 THR 20 -17.457 36.275 -8.283 164 3HG2 THR 20 3HG2 THR 20 -17.654 35.210 -9.680 165 H MET 21 H MET 21 -18.533 31.811 -9.521 166 HA MET 21 HA MET 21 -17.611 32.115 -12.335 167 1HB MET 21 HB2 MET 21 -19.618 30.226 -11.019 168 2HB MET 21 HB3 MET 21 -19.334 30.311 -12.745 169 1HG MET 21 HG2 MET 21 -17.331 29.478 -10.622 170 2HG MET 21 HG3 MET 21 -18.208 28.434 -11.716 171 1HE MET 21 HE1 MET 21 -16.578 29.273 -15.235 172 2HE MET 21 HE2 MET 21 -17.884 28.428 -14.358 173 3HE MET 21 HE3 MET 21 -17.916 30.188 -14.547 174 H ASN 22 H ASN 22 -19.244 32.734 -13.885 175 HA ASN 22 HA ASN 22 -21.817 33.698 -12.986 176 1HB ASN 22 HB2 ASN 22 -20.254 35.652 -12.631 177 2HB ASN 22 HB3 ASN 22 -19.903 35.607 -14.357 178 1HD2 ASN 22 1HD2 ASN 22 -22.415 38.117 -14.522 179 2HD2 ASN 22 2HD2 ASN 22 -20.677 37.794 -14.529 180 H ALA 23 H ALA 23 -23.321 34.052 -14.812 181 HA ALA 23 HA ALA 23 -22.531 33.067 -17.471 182 1HB ALA 23 HB1 ALA 23 -22.557 30.988 -16.087 183 2HB ALA 23 HB2 ALA 23 -24.195 31.394 -15.508 184 3HB ALA 23 HB3 ALA 23 -23.902 31.000 -17.235 185 H THR 24 H THR 24 -24.198 32.994 -18.998 186 HA THR 24 HA THR 24 -26.173 35.105 -18.539 187 HB THR 24 HB THR 24 -25.583 33.768 -21.180 188 HG1 THR 24 HG1 THR 24 -23.872 35.035 -21.457 189 1HG2 THR 24 1HG2 THR 24 -26.022 36.087 -22.008 190 2HG2 THR 24 2HG2 THR 24 -27.435 35.369 -21.180 191 3HG2 THR 24 3HG2 THR 24 -26.428 36.593 -20.362 192 H ALA 25 H ALA 25 -28.244 34.759 -18.208 193 HA ALA 25 HA ALA 25 -29.516 32.149 -18.780 194 1HB ALA 25 HB1 ALA 25 -30.507 34.685 -17.417 195 2HB ALA 25 HB2 ALA 25 -31.467 33.195 -17.584 196 3HB ALA 25 HB3 ALA 25 -29.969 33.184 -16.626 197 H ASN 26 H ASN 26 -31.796 32.258 -19.702 198 HA ASN 26 HA ASN 26 -33.217 32.465 -21.323 199 1HB ASN 26 HB2 ASN 26 -34.151 34.437 -21.524 200 2HB ASN 26 HB3 ASN 26 -32.856 35.064 -20.522 201 1HD2 ASN 26 1HD2 ASN 26 -31.228 36.690 -23.308 202 2HD2 ASN 26 2HD2 ASN 26 -30.819 35.727 -21.871 203 H LEU 27 H LEU 27 -29.968 32.730 -22.206 204 HA LEU 27 HA LEU 27 -30.485 32.363 -25.088 205 1HB LEU 27 HB2 LEU 27 -27.902 32.610 -23.510 206 2HB LEU 27 HB3 LEU 27 -28.000 32.508 -25.270 207 HG LEU 27 HG LEU 27 -29.042 34.770 -23.508 208 1HD1 LEU 27 1HD1 LEU 27 -26.892 34.728 -25.668 209 2HD1 LEU 27 2HD1 LEU 27 -27.326 36.087 -24.614 210 3HD1 LEU 27 3HD1 LEU 27 -26.569 34.632 -23.926 211 1HD2 LEU 27 1HD2 LEU 27 -29.231 34.455 -26.533 212 2HD2 LEU 27 2HD2 LEU 27 -30.598 34.571 -25.384 213 3HD2 LEU 27 3HD2 LEU 27 -29.536 35.967 -25.640 214 H SER 28 H SER 28 -30.344 30.254 -22.488 215 HA SER 28 HA SER 28 -30.210 28.017 -22.278 216 1HB SER 28 HB2 SER 28 -30.520 27.923 -25.311 217 2HB SER 28 HB3 SER 28 -30.816 26.594 -24.171 218 HG SER 28 HG SER 28 -32.701 27.773 -24.839 219 H GLN 29 H GLN 29 -27.710 29.437 -22.429 220 HA GLN 29 HA GLN 29 -25.844 27.932 -24.047 221 1HB GLN 29 HB2 GLN 29 -25.507 30.018 -21.860 222 2HB GLN 29 HB3 GLN 29 -24.133 29.288 -22.738 223 1HG GLN 29 HG2 GLN 29 -25.001 30.047 -24.871 224 2HG GLN 29 HG3 GLN 29 -26.395 30.801 -24.117 225 1HE2 GLN 29 1HE2 GLN 29 -23.788 33.384 -24.742 226 2HE2 GLN 29 2HE2 GLN 29 -24.669 32.252 -25.763 227 H SER 30 H SER 30 -23.762 27.094 -23.021 228 HA SER 30 HA SER 30 -24.360 25.311 -20.696 229 1HB SER 30 HB2 SER 30 -22.749 24.626 -23.183 230 2HB SER 30 HB3 SER 30 -22.959 23.590 -21.776 231 HG SER 30 HG SER 30 -24.405 23.090 -23.465 232 H VAL 31 H VAL 31 -22.699 24.891 -19.291 233 HA VAL 31 HA VAL 31 -20.222 26.563 -19.450 234 HB VAL 31 HB VAL 31 -22.342 26.925 -17.279 235 1HG1 VAL 31 1HG1 VAL 31 -20.842 28.709 -16.376 236 2HG1 VAL 31 2HG1 VAL 31 -20.161 27.103 -16.217 237 3HG1 VAL 31 3HG1 VAL 31 -19.572 28.178 -17.513 238 1HG2 VAL 31 1HG2 VAL 31 -22.319 29.322 -18.026 239 2HG2 VAL 31 2HG2 VAL 31 -21.278 28.849 -19.416 240 3HG2 VAL 31 3HG2 VAL 31 -22.943 28.235 -19.248 241 H THR 32 H THR 32 -18.537 25.704 -18.267 242 HA THR 32 HA THR 32 -19.058 23.373 -16.444 243 HB THR 32 HB THR 32 -16.433 24.055 -17.788 244 HG1 THR 32 HG1 THR 32 -17.932 23.526 -19.363 245 1HG2 THR 32 1HG2 THR 32 -17.456 21.560 -16.349 246 2HG2 THR 32 2HG2 THR 32 -15.996 21.616 -17.368 247 3HG2 THR 32 3HG2 THR 32 -16.071 22.581 -15.900 248 H LEU 33 H LEU 33 -18.070 23.269 -14.465 249 HA LEU 33 HA LEU 33 -16.155 25.200 -13.482 250 1HB LEU 33 HB2 LEU 33 -17.560 26.122 -11.686 251 2HB LEU 33 HB3 LEU 33 -18.165 26.523 -13.274 252 HG LEU 33 HG LEU 33 -19.786 24.441 -12.949 253 1HD1 LEU 33 1HD1 LEU 33 -20.470 24.256 -10.538 254 2HD1 LEU 33 2HD1 LEU 33 -18.889 23.591 -10.840 255 3HD1 LEU 33 3HD1 LEU 33 -19.015 25.187 -10.085 256 1HD2 LEU 33 1HD2 LEU 33 -20.194 27.050 -11.452 257 2HD2 LEU 33 2HD2 LEU 33 -20.528 26.761 -13.183 258 3HD2 LEU 33 3HD2 LEU 33 -21.441 25.864 -11.960 259 H ALA 34 H ALA 34 -15.551 24.583 -11.103 260 HA ALA 34 HA ALA 34 -16.298 21.838 -10.425 261 1HB ALA 34 HB1 ALA 34 -14.159 20.838 -10.875 262 2HB ALA 34 HB2 ALA 34 -14.568 21.682 -12.364 263 3HB ALA 34 HB3 ALA 34 -13.410 22.396 -11.225 264 H CYS 35 H CYS 35 -15.797 21.124 -8.507 265 HA CYS 35 HA CYS 35 -14.009 22.703 -6.709 266 1HB CYS 35 HB2 CYS 35 -16.356 22.799 -5.971 267 2HB CYS 35 HB3 CYS 35 -16.408 21.028 -5.902 268 H ASP 36 H ASP 36 -12.235 21.541 -7.647 269 HA ASP 36 HA ASP 36 -12.358 18.786 -8.328 270 1HB ASP 36 HB2 ASP 36 -10.127 18.947 -9.060 271 2HB ASP 36 HB3 ASP 36 -11.042 20.333 -9.612 272 H ALA 37 H ALA 37 -12.243 17.073 -7.153 273 HA ALA 37 HA ALA 37 -10.818 17.118 -4.554 274 1HB ALA 37 HB1 ALA 37 -13.223 16.361 -4.628 275 2HB ALA 37 HB2 ALA 37 -12.709 15.044 -5.706 276 3HB ALA 37 HB3 ALA 37 -12.118 15.112 -4.020 277 H ASP 38 H ASP 38 -9.460 15.461 -3.899 278 HA ASP 38 HA ASP 38 -8.290 13.482 -5.694 279 1HB ASP 38 HB2 ASP 38 -7.220 15.545 -6.480 280 2HB ASP 38 HB3 ASP 38 -6.790 15.984 -4.835 281 H GLY 39 H GLY 39 -6.641 12.164 -4.488 282 1HA GLY 39 HA2 GLY 39 -5.799 12.420 -1.877 283 2HA GLY 39 HA3 GLY 39 -7.398 11.680 -1.717 284 H PHE 40 H PHE 40 -5.371 10.199 -0.776 285 HA PHE 40 HA PHE 40 -5.266 7.928 -2.679 286 1HB PHE 40 HB2 PHE 40 -2.798 8.937 -1.262 287 2HB PHE 40 HB3 PHE 40 -2.961 7.460 -2.197 288 HD1 PHE 40 HD1 PHE 40 -3.180 7.474 -4.673 289 HD2 PHE 40 HD2 PHE 40 -2.566 11.124 -2.410 290 HE1 PHE 40 HE1 PHE 40 -2.543 8.659 -6.758 291 HE2 PHE 40 HE2 PHE 40 -1.924 12.293 -4.508 292 HZ PHE 40 HZ PHE 40 -1.916 11.071 -6.668 293 HA PRO 41 HA PRO 41 -6.446 6.164 -2.544 294 1HB PRO 41 HB2 PRO 41 -8.825 5.140 -1.656 295 2HB PRO 41 HB3 PRO 41 -7.250 4.314 -1.413 296 1HG PRO 41 HG2 PRO 41 -8.725 6.132 0.530 297 2HG PRO 41 HG3 PRO 41 -8.125 4.450 0.810 298 1HD PRO 41 HD2 PRO 41 -6.683 6.674 1.521 299 2HD PRO 41 HD3 PRO 41 -5.860 5.217 0.831 300 H GLU 42 H GLU 42 -8.008 6.811 -3.906 301 HA GLU 42 HA GLU 42 -8.927 9.371 -4.225 302 1HB GLU 42 HB2 GLU 42 -10.353 6.830 -5.054 303 2HB GLU 42 HB3 GLU 42 -10.728 8.439 -5.667 304 1HG GLU 42 HG2 GLU 42 -8.458 8.647 -6.593 305 2HG GLU 42 HG3 GLU 42 -8.051 7.054 -5.992 306 HA PRO 43 HA PRO 43 -11.845 9.776 -0.964 307 1HB PRO 43 HB2 PRO 43 -12.589 12.401 -1.191 308 2HB PRO 43 HB3 PRO 43 -10.893 11.911 -0.844 309 1HG PRO 43 HG2 PRO 43 -12.141 12.560 -3.547 310 2HG PRO 43 HG3 PRO 43 -10.651 13.259 -2.842 311 1HD PRO 43 HD2 PRO 43 -10.528 11.163 -4.565 312 2HD PRO 43 HD3 PRO 43 -9.418 11.302 -3.161 313 H THR 44 H THR 44 -13.998 10.304 -0.360 314 HA THR 44 HA THR 44 -16.091 9.886 -2.482 315 HB THR 44 HB THR 44 -16.218 9.671 0.547 316 HG1 THR 44 HG1 THR 44 -15.124 7.954 -0.439 317 1HG2 THR 44 1HG2 THR 44 -18.434 10.292 -0.297 318 2HG2 THR 44 2HG2 THR 44 -18.306 9.102 -1.599 319 3HG2 THR 44 3HG2 THR 44 -18.454 8.578 0.086 320 H MET 45 H MET 45 -17.773 11.574 -2.638 321 HA MET 45 HA MET 45 -17.377 14.025 -1.032 322 1HB MET 45 HB2 MET 45 -16.876 15.421 -2.958 323 2HB MET 45 HB3 MET 45 -15.640 14.199 -2.729 324 1HG MET 45 HG2 MET 45 -16.629 12.833 -4.540 325 2HG MET 45 HG3 MET 45 -17.910 14.020 -4.748 326 1HE MET 45 HE1 MET 45 -17.563 16.461 -5.436 327 2HE MET 45 HE2 MET 45 -16.036 16.879 -4.597 328 3HE MET 45 HE3 MET 45 -16.181 17.053 -6.353 329 H THR 46 H THR 46 -18.861 15.701 -1.388 330 HA THR 46 HA THR 46 -21.090 15.457 -3.225 331 HB THR 46 HB THR 46 -22.906 15.786 -1.594 332 HG1 THR 46 HG1 THR 46 -22.526 15.406 0.582 333 1HG2 THR 46 1HG2 THR 46 -23.280 13.611 -0.901 334 2HG2 THR 46 2HG2 THR 46 -22.392 13.489 -2.418 335 3HG2 THR 46 3HG2 THR 46 -21.537 13.202 -0.858 336 H TRP 47 H TRP 47 -22.581 17.446 -2.905 337 HA TRP 47 HA TRP 47 -21.418 19.734 -1.564 338 1HB TRP 47 HB2 TRP 47 -21.147 21.131 -3.626 339 2HB TRP 47 HB3 TRP 47 -19.939 19.955 -3.213 340 HD1 TRP 47 HD1 TRP 47 -20.851 17.414 -4.856 341 HE1 TRP 47 HE1 TRP 47 -19.940 17.424 -7.224 342 HE3 TRP 47 HE3 TRP 47 -20.601 22.476 -5.614 343 HZ2 TRP 47 HZ2 TRP 47 -18.908 19.347 -9.103 344 HZ3 TRP 47 HZ3 TRP 47 -19.566 23.370 -7.686 345 HH2 TRP 47 HH2 TRP 47 -18.759 21.795 -9.446 346 H THR 48 H THR 48 -22.674 21.813 -1.947 347 HA THR 48 HA THR 48 -25.558 21.117 -2.372 348 HB THR 48 HB THR 48 -26.204 22.231 -0.378 349 HG1 THR 48 HG1 THR 48 -24.604 23.063 1.061 350 1HG2 THR 48 1HG2 THR 48 -23.867 20.476 0.453 351 2HG2 THR 48 2HG2 THR 48 -25.340 20.848 1.368 352 3HG2 THR 48 3HG2 THR 48 -25.469 19.861 -0.094 353 H LYS 49 H LYS 49 -26.957 22.712 -2.896 354 HA LYS 49 HA LYS 49 -25.803 24.998 -4.394 355 1HB LYS 49 HB2 LYS 49 -27.417 23.147 -5.284 356 2HB LYS 49 HB3 LYS 49 -28.686 23.968 -4.358 357 1HG LYS 49 HG2 LYS 49 -28.181 26.065 -5.639 358 2HG LYS 49 HG3 LYS 49 -26.972 25.141 -6.578 359 1HD LYS 49 HD2 LYS 49 -28.746 23.597 -7.348 360 2HD LYS 49 HD3 LYS 49 -29.963 24.480 -6.405 361 1HE LYS 49 HE2 LYS 49 -28.316 25.704 -8.687 362 2HE LYS 49 HE3 LYS 49 -29.919 25.048 -8.827 363 1HZ LYS 49 HZ1 LYS 49 -30.600 26.756 -7.069 364 2HZ LYS 49 HZ2 LYS 49 -29.160 27.508 -7.389 365 3HZ LYS 49 HZ3 LYS 49 -30.276 27.309 -8.551 366 H ASP 50 H ASP 50 -25.408 25.626 -1.972 367 HA ASP 50 HA ASP 50 -25.716 26.978 -0.205 368 1HB ASP 50 HB2 ASP 50 -26.370 28.618 -2.012 369 2HB ASP 50 HB3 ASP 50 -28.055 28.282 -1.664 370 H GLY 51 H GLY 51 -27.634 24.476 -0.715 371 1HA GLY 51 HA2 GLY 51 -28.436 24.187 1.938 372 2HA GLY 51 HA3 GLY 51 -29.842 24.845 1.125 373 H GLU 52 H GLU 52 -29.396 23.412 -1.393 374 HA GLU 52 HA GLU 52 -30.408 20.741 -0.523 375 1HB GLU 52 HB2 GLU 52 -31.559 20.620 -2.674 376 2HB GLU 52 HB3 GLU 52 -32.052 22.015 -1.733 377 1HG GLU 52 HG2 GLU 52 -30.568 23.471 -3.137 378 2HG GLU 52 HG3 GLU 52 -30.087 22.054 -4.058 379 HA PRO 53 HA PRO 53 -26.872 18.851 -1.983 380 1HB PRO 53 HB2 PRO 53 -27.543 16.256 -2.418 381 2HB PRO 53 HB3 PRO 53 -27.623 17.018 -0.800 382 1HG PRO 53 HG2 PRO 53 -29.889 16.670 -2.799 383 2HG PRO 53 HG3 PRO 53 -29.887 16.227 -1.047 384 1HD PRO 53 HD2 PRO 53 -30.938 18.590 -1.943 385 2HD PRO 53 HD3 PRO 53 -30.015 18.469 -0.415 386 H ILE 54 H ILE 54 -25.663 18.806 -3.656 387 HA ILE 54 HA ILE 54 -26.583 18.316 -6.456 388 HB ILE 54 HB ILE 54 -23.960 19.469 -5.504 389 1HG1 ILE 54 2HG1 ILE 54 -26.284 21.115 -6.615 390 2HG1 ILE 54 3HG1 ILE 54 -26.044 20.913 -4.884 391 1HG2 ILE 54 1HG2 ILE 54 -23.729 20.257 -7.835 392 2HG2 ILE 54 2HG2 ILE 54 -23.967 18.521 -7.851 393 3HG2 ILE 54 3HG2 ILE 54 -25.329 19.574 -8.242 394 1HD1 ILE 54 1HD1 ILE 54 -23.798 21.868 -4.965 395 2HD1 ILE 54 2HD1 ILE 54 -23.905 22.073 -6.709 396 3HD1 ILE 54 3HD1 ILE 54 -24.987 22.996 -5.680 397 H GLU 55 H GLU 55 -26.725 16.137 -4.961 398 HA GLU 55 HA GLU 55 -24.412 14.442 -5.063 399 1HB GLU 55 HB2 GLU 55 -26.082 12.618 -4.807 400 2HB GLU 55 HB3 GLU 55 -26.056 13.817 -3.530 401 1HG GLU 55 HG2 GLU 55 -28.067 14.894 -4.456 402 2HG GLU 55 HG3 GLU 55 -28.154 13.641 -5.698 403 H GLN 56 H GLN 56 -23.581 14.913 -7.098 404 HA GLN 56 HA GLN 56 -24.716 14.941 -9.576 405 1HB GLN 56 HB2 GLN 56 -21.954 13.870 -8.923 406 2HB GLN 56 HB3 GLN 56 -22.455 14.575 -10.475 407 1HG GLN 56 HG2 GLN 56 -22.782 16.769 -9.382 408 2HG GLN 56 HG3 GLN 56 -22.231 16.095 -7.850 409 1HE2 GLN 56 1HE2 GLN 56 -18.783 15.842 -8.862 410 2HE2 GLN 56 2HE2 GLN 56 -19.988 15.047 -7.839 411 H GLU 57 H GLU 57 -24.412 11.993 -7.849 412 HA GLU 57 HA GLU 57 -24.416 10.230 -10.238 413 1HB GLU 57 HB2 GLU 57 -24.477 9.597 -7.263 414 2HB GLU 57 HB3 GLU 57 -24.327 8.422 -8.559 415 1HG GLU 57 HG2 GLU 57 -22.188 9.495 -9.287 416 2HG GLU 57 HG3 GLU 57 -22.289 10.559 -7.883 417 H ASP 58 H ASP 58 -26.760 11.913 -8.531 418 HA ASP 58 HA ASP 58 -28.912 10.256 -9.707 419 1HB ASP 58 HB2 ASP 58 -28.617 9.560 -7.291 420 2HB ASP 58 HB3 ASP 58 -28.903 11.226 -6.805 421 H ASN 59 H ASN 59 -27.879 13.367 -8.400 422 HA ASN 59 HA ASN 59 -30.234 14.766 -9.547 423 1HB ASN 59 HB2 ASN 59 -29.345 15.333 -7.243 424 2HB ASN 59 HB3 ASN 59 -27.874 15.956 -8.027 425 1HD2 ASN 59 1HD2 ASN 59 -30.020 18.893 -7.589 426 2HD2 ASN 59 2HD2 ASN 59 -29.033 17.857 -6.582 427 H GLU 60 H GLU 60 -30.052 14.681 -11.708 428 HA GLU 60 HA GLU 60 -27.544 15.551 -13.082 429 1HB GLU 60 HB2 GLU 60 -28.192 13.024 -12.692 430 2HB GLU 60 HB3 GLU 60 -29.399 13.312 -13.940 431 1HG GLU 60 HG2 GLU 60 -27.533 13.976 -15.485 432 2HG GLU 60 HG3 GLU 60 -26.405 13.694 -14.156 433 H GLU 61 H GLU 61 -30.531 16.642 -12.646 434 HA GLU 61 HA GLU 61 -32.145 16.497 -14.805 435 1HB GLU 61 HB2 GLU 61 -31.782 18.960 -13.077 436 2HB GLU 61 HB3 GLU 61 -33.163 18.661 -14.154 437 1HG GLU 61 HG2 GLU 61 -33.502 16.475 -12.874 438 2HG GLU 61 HG3 GLU 61 -32.382 17.109 -11.666 439 H LYS 62 H LYS 62 -29.401 18.723 -14.802 440 HA LYS 62 HA LYS 62 -29.353 18.659 -17.714 441 1HB LYS 62 HB2 LYS 62 -29.525 21.062 -18.174 442 2HB LYS 62 HB3 LYS 62 -31.021 20.412 -17.481 443 1HG LYS 62 HG2 LYS 62 -30.326 21.385 -15.253 444 2HG LYS 62 HG3 LYS 62 -28.920 22.093 -16.061 445 1HD LYS 62 HD2 LYS 62 -30.594 23.230 -17.668 446 2HD LYS 62 HD3 LYS 62 -31.880 22.687 -16.592 447 1HE LYS 62 HE2 LYS 62 -30.722 23.849 -14.688 448 2HE LYS 62 HE3 LYS 62 -29.420 24.313 -15.767 449 1HZ LYS 62 HZ1 LYS 62 -32.217 25.275 -15.892 450 2HZ LYS 62 HZ2 LYS 62 -30.831 26.121 -15.535 451 3HZ LYS 62 HZ3 LYS 62 -31.086 25.570 -17.058 452 H TYR 63 H TYR 63 -27.623 17.598 -15.981 453 HA TYR 63 HA TYR 63 -25.139 18.902 -16.616 454 1HB TYR 63 HB2 TYR 63 -24.660 19.048 -13.966 455 2HB TYR 63 HB3 TYR 63 -25.238 20.385 -14.904 456 HD1 TYR 63 HD1 TYR 63 -26.428 17.651 -12.621 457 HD2 TYR 63 HD2 TYR 63 -27.188 21.530 -14.342 458 HE1 TYR 63 HE1 TYR 63 -28.357 17.978 -11.063 459 HE2 TYR 63 HE2 TYR 63 -29.100 21.842 -12.802 460 HH TYR 63 HH TYR 63 -30.359 20.930 -11.111 461 H SER 64 H SER 64 -23.275 17.842 -15.946 462 HA SER 64 HA SER 64 -23.209 15.312 -14.566 463 1HB SER 64 HB2 SER 64 -22.657 13.863 -16.450 464 2HB SER 64 HB3 SER 64 -24.280 14.535 -16.622 465 HG SER 64 HG SER 64 -23.116 14.670 -18.571 466 H PHE 65 H PHE 65 -21.006 14.294 -14.623 467 HA PHE 65 HA PHE 65 -18.781 16.112 -15.263 468 1HB PHE 65 HB2 PHE 65 -18.250 16.167 -12.997 469 2HB PHE 65 HB3 PHE 65 -19.985 16.357 -12.997 470 HD1 PHE 65 HD1 PHE 65 -17.298 14.633 -11.478 471 HD2 PHE 65 HD2 PHE 65 -21.394 14.032 -12.702 472 HE1 PHE 65 HE1 PHE 65 -17.453 12.701 -9.972 473 HE2 PHE 65 HE2 PHE 65 -21.509 12.033 -11.271 474 HZ PHE 65 HZ PHE 65 -19.562 11.370 -9.859 475 H ASN 66 H ASN 66 -16.686 15.049 -14.406 476 HA ASN 66 HA ASN 66 -16.499 12.189 -15.286 477 1HB ASN 66 HB2 ASN 66 -14.188 12.785 -16.023 478 2HB ASN 66 HB3 ASN 66 -15.459 13.600 -16.904 479 1HD2 ASN 66 1HD2 ASN 66 -13.658 14.314 -13.832 480 2HD2 ASN 66 2HD2 ASN 66 -13.211 15.943 -14.322 481 H TYR 67 H TYR 67 -14.778 10.929 -14.356 482 HA TYR 67 HA TYR 67 -14.434 11.298 -11.462 483 1HB TYR 67 HB2 TYR 67 -13.282 9.194 -13.348 484 2HB TYR 67 HB3 TYR 67 -13.354 9.096 -11.592 485 HD1 TYR 67 HD1 TYR 67 -15.050 8.178 -14.565 486 HD2 TYR 67 HD2 TYR 67 -15.724 9.266 -10.465 487 HE1 TYR 67 HE1 TYR 67 -17.320 7.121 -14.664 488 HE2 TYR 67 HE2 TYR 67 -17.958 8.169 -10.555 489 HH TYR 67 HH TYR 67 -19.474 6.990 -11.803 490 H ASP 68 H ASP 68 -12.129 10.703 -10.609 491 HA ASP 68 HA ASP 68 -10.169 11.596 -10.031 492 1HB ASP 68 HB2 ASP 68 -9.589 10.215 -12.100 493 2HB ASP 68 HB3 ASP 68 -9.562 11.711 -13.020 494 H GLY 69 H GLY 69 -12.318 13.428 -10.364 495 1HA GLY 69 HA2 GLY 69 -11.270 16.011 -9.996 496 2HA GLY 69 HA3 GLY 69 -11.736 15.867 -11.704 497 H SER 70 H SER 70 -13.226 17.624 -10.882 498 HA SER 70 HA SER 70 -15.845 16.518 -9.964 499 1HB SER 70 HB2 SER 70 -14.582 19.035 -8.874 500 2HB SER 70 HB3 SER 70 -16.034 18.253 -8.304 501 HG SER 70 HG SER 70 -14.234 17.853 -6.981 502 H GLU 71 H GLU 71 -14.918 17.395 -12.642 503 HA GLU 71 HA GLU 71 -15.764 20.146 -13.046 504 1HB GLU 71 HB2 GLU 71 -14.917 17.965 -14.968 505 2HB GLU 71 HB3 GLU 71 -15.340 19.621 -15.450 506 1HG GLU 71 HG2 GLU 71 -12.942 19.418 -15.348 507 2HG GLU 71 HG3 GLU 71 -13.531 20.529 -14.105 508 H LEU 72 H LEU 72 -17.765 20.438 -12.480 509 HA LEU 72 HA LEU 72 -19.997 18.816 -13.453 510 1HB LEU 72 HB2 LEU 72 -19.957 19.673 -11.160 511 2HB LEU 72 HB3 LEU 72 -19.769 21.322 -11.711 512 HG LEU 72 HG LEU 72 -22.055 21.214 -12.731 513 1HD1 LEU 72 1HD1 LEU 72 -22.129 18.465 -11.432 514 2HD1 LEU 72 2HD1 LEU 72 -23.557 19.320 -12.030 515 3HD1 LEU 72 3HD1 LEU 72 -22.272 18.833 -13.166 516 1HD2 LEU 72 1HD2 LEU 72 -21.996 20.447 -9.781 517 2HD2 LEU 72 2HD2 LEU 72 -21.737 22.074 -10.447 518 3HD2 LEU 72 3HD2 LEU 72 -23.319 21.259 -10.625 519 H ILE 73 H ILE 73 -20.376 19.023 -15.530 520 HA ILE 73 HA ILE 73 -20.342 21.658 -16.888 521 HB ILE 73 HB ILE 73 -21.077 18.944 -18.002 522 1HG1 ILE 73 2HG1 ILE 73 -18.368 20.173 -18.552 523 2HG1 ILE 73 3HG1 ILE 73 -18.573 19.245 -17.073 524 1HG2 ILE 73 1HG2 ILE 73 -21.890 20.846 -19.311 525 2HG2 ILE 73 2HG2 ILE 73 -20.297 21.598 -19.299 526 3HG2 ILE 73 3HG2 ILE 73 -20.540 20.093 -20.192 527 1HD1 ILE 73 1HD1 ILE 73 -17.722 17.815 -18.843 528 2HD1 ILE 73 2HD1 ILE 73 -19.331 17.276 -18.298 529 3HD1 ILE 73 3HD1 ILE 73 -19.175 18.164 -19.848 530 H ILE 74 H ILE 74 -22.162 22.787 -17.019 531 HA ILE 74 HA ILE 74 -24.832 21.531 -16.610 532 HB ILE 74 HB ILE 74 -24.003 24.435 -16.330 533 1HG1 ILE 74 2HG1 ILE 74 -24.929 22.603 -14.063 534 2HG1 ILE 74 3HG1 ILE 74 -23.218 22.829 -14.444 535 1HG2 ILE 74 1HG2 ILE 74 -26.674 23.084 -15.884 536 2HG2 ILE 74 2HG2 ILE 74 -26.304 24.744 -15.336 537 3HG2 ILE 74 3HG2 ILE 74 -26.285 24.356 -17.053 538 1HD1 ILE 74 1HD1 ILE 74 -25.183 24.938 -13.439 539 2HD1 ILE 74 2HD1 ILE 74 -23.751 24.271 -12.624 540 3HD1 ILE 74 3HD1 ILE 74 -23.536 25.317 -14.053 541 H LYS 75 H LYS 75 -26.333 21.846 -18.115 542 HA LYS 75 HA LYS 75 -25.658 23.449 -20.550 543 1HB LYS 75 HB2 LYS 75 -26.895 21.895 -21.945 544 2HB LYS 75 HB3 LYS 75 -25.436 21.189 -21.225 545 1HG LYS 75 HG2 LYS 75 -26.834 19.994 -19.546 546 2HG LYS 75 HG3 LYS 75 -28.273 20.755 -20.168 547 1HD LYS 75 HD2 LYS 75 -28.135 18.510 -20.948 548 2HD LYS 75 HD3 LYS 75 -27.943 19.583 -22.325 549 1HE LYS 75 HE2 LYS 75 -25.521 19.258 -22.300 550 2HE LYS 75 HE3 LYS 75 -25.634 18.252 -20.845 551 1HZ LYS 75 HZ1 LYS 75 -25.480 16.891 -22.870 552 2HZ LYS 75 HZ2 LYS 75 -26.929 16.648 -22.188 553 3HZ LYS 75 HZ3 LYS 75 -26.800 17.589 -23.502 554 H LYS 76 H LYS 76 -27.345 24.507 -21.469 555 HA LYS 76 HA LYS 76 -29.261 25.783 -21.596 556 1HB LYS 76 HB2 LYS 76 -30.186 23.474 -21.848 557 2HB LYS 76 HB3 LYS 76 -30.590 23.437 -20.133 558 1HG LYS 76 HG2 LYS 76 -32.162 25.293 -20.410 559 2HG LYS 76 HG3 LYS 76 -31.658 25.529 -22.110 560 1HD LYS 76 HD2 LYS 76 -32.521 23.251 -22.628 561 2HD LYS 76 HD3 LYS 76 -33.045 23.058 -20.939 562 1HE LYS 76 HE2 LYS 76 -34.521 25.057 -21.176 563 2HE LYS 76 HE3 LYS 76 -34.014 25.227 -22.860 564 1HZ LYS 76 HZ1 LYS 76 -36.109 24.024 -22.702 565 2HZ LYS 76 HZ2 LYS 76 -34.957 23.032 -23.316 566 3HZ LYS 76 HZ3 LYS 76 -35.428 22.861 -21.765 567 H VAL 77 H VAL 77 -27.648 26.809 -19.938 568 HA VAL 77 HA VAL 77 -28.447 27.065 -17.206 569 HB VAL 77 HB VAL 77 -26.699 28.861 -18.961 570 1HG1 VAL 77 1HG1 VAL 77 -27.152 28.929 -15.952 571 2HG1 VAL 77 2HG1 VAL 77 -25.817 29.738 -16.780 572 3HG1 VAL 77 3HG1 VAL 77 -27.465 30.248 -17.106 573 1HG2 VAL 77 1HG2 VAL 77 -25.814 26.567 -18.549 574 2HG2 VAL 77 2HG2 VAL 77 -24.854 27.801 -17.767 575 3HG2 VAL 77 3HG2 VAL 77 -26.006 26.824 -16.800 576 H ASP 78 H ASP 78 -29.668 28.506 -16.096 577 HA ASP 78 HA ASP 78 -30.733 30.916 -17.306 578 1HB ASP 78 HB2 ASP 78 -32.265 28.823 -17.901 579 2HB ASP 78 HB3 ASP 78 -32.799 29.007 -16.226 580 H LYS 79 H LYS 79 -32.572 31.709 -15.453 581 HA LYS 79 HA LYS 79 -30.930 32.635 -13.297 582 1HB LYS 79 HB2 LYS 79 -33.970 32.609 -13.539 583 2HB LYS 79 HB3 LYS 79 -33.040 33.546 -12.374 584 1HG LYS 79 HG2 LYS 79 -31.846 34.657 -14.337 585 2HG LYS 79 HG3 LYS 79 -32.993 33.849 -15.408 586 1HD LYS 79 HD2 LYS 79 -33.719 35.833 -13.217 587 2HD LYS 79 HD3 LYS 79 -33.700 36.145 -14.946 588 1HE LYS 79 HE2 LYS 79 -35.463 34.458 -15.306 589 2HE LYS 79 HE3 LYS 79 -35.531 34.153 -13.564 590 1HZ LYS 79 HZ1 LYS 79 -36.074 36.786 -14.820 591 2HZ LYS 79 HZ2 LYS 79 -37.232 35.757 -14.312 592 3HZ LYS 79 HZ3 LYS 79 -36.203 36.446 -13.232 593 H SER 80 H SER 80 -32.735 29.662 -13.541 594 HA SER 80 HA SER 80 -33.026 29.102 -10.730 595 1HB SER 80 HB2 SER 80 -33.491 26.792 -11.582 596 2HB SER 80 HB3 SER 80 -34.486 28.080 -12.307 597 HG SER 80 HG SER 80 -33.731 26.670 -13.905 598 H ASP 81 H ASP 81 -30.244 28.941 -12.821 599 HA ASP 81 HA ASP 81 -28.927 26.809 -11.287 600 1HB ASP 81 HB2 ASP 81 -27.958 28.613 -13.563 601 2HB ASP 81 HB3 ASP 81 -27.016 27.326 -12.829 602 H GLU 82 H GLU 82 -29.213 30.174 -10.737 603 HA GLU 82 HA GLU 82 -26.644 30.801 -9.732 604 1HB GLU 82 HB2 GLU 82 -28.377 32.421 -10.267 605 2HB GLU 82 HB3 GLU 82 -29.382 31.847 -8.925 606 1HG GLU 82 HG2 GLU 82 -27.939 32.784 -7.287 607 2HG GLU 82 HG3 GLU 82 -26.586 32.906 -8.421 608 H ALA 83 H ALA 83 -25.563 30.519 -7.777 609 HA ALA 83 HA ALA 83 -26.813 29.251 -5.463 610 1HB ALA 83 HB1 ALA 83 -26.559 27.376 -7.167 611 2HB ALA 83 HB2 ALA 83 -24.826 27.708 -7.215 612 3HB ALA 83 HB3 ALA 83 -25.565 27.111 -5.728 613 H GLU 84 H GLU 84 -25.268 28.672 -3.782 614 HA GLU 84 HA GLU 84 -22.570 29.917 -3.970 615 1HB GLU 84 HB2 GLU 84 -24.046 31.386 -2.584 616 2HB GLU 84 HB3 GLU 84 -24.346 30.018 -1.497 617 1HG GLU 84 HG2 GLU 84 -21.944 29.874 -1.002 618 2HG GLU 84 HG3 GLU 84 -21.603 31.172 -2.160 619 H TYR 85 H TYR 85 -21.702 27.991 -4.537 620 HA TYR 85 HA TYR 85 -22.571 25.473 -3.541 621 1HB TYR 85 HB2 TYR 85 -20.015 26.239 -4.978 622 2HB TYR 85 HB3 TYR 85 -20.544 24.617 -4.711 623 HD1 TYR 85 HD1 TYR 85 -20.235 26.881 -7.248 624 HD2 TYR 85 HD2 TYR 85 -23.202 24.298 -5.510 625 HE1 TYR 85 HE1 TYR 85 -21.309 26.557 -9.488 626 HE2 TYR 85 HE2 TYR 85 -24.268 23.999 -7.743 627 HH TYR 85 HH TYR 85 -24.166 24.450 -9.943 628 H ILE 86 H ILE 86 -21.934 24.359 -1.819 629 HA ILE 86 HA ILE 86 -19.276 24.910 -0.547 630 HB ILE 86 HB ILE 86 -21.818 24.058 0.883 631 1HG1 ILE 86 2HG1 ILE 86 -20.393 26.767 0.856 632 2HG1 ILE 86 3HG1 ILE 86 -21.983 26.424 0.202 633 1HG2 ILE 86 1HG2 ILE 86 -19.035 24.791 1.969 634 2HG2 ILE 86 2HG2 ILE 86 -20.424 24.196 2.913 635 3HG2 ILE 86 3HG2 ILE 86 -19.659 23.127 1.790 636 1HD1 ILE 86 1HD1 ILE 86 -21.236 26.389 3.141 637 2HD1 ILE 86 2HD1 ILE 86 -22.277 27.544 2.302 638 3HD1 ILE 86 3HD1 ILE 86 -22.817 25.844 2.509 639 H CYS 87 H CYS 87 -18.001 23.202 -0.655 640 HA CYS 87 HA CYS 87 -19.152 20.571 -1.429 641 1HB CYS 87 HB2 CYS 87 -17.100 20.401 -2.957 642 2HB CYS 87 HB3 CYS 87 -18.409 21.449 -3.483 643 H ILE 88 H ILE 88 -18.438 18.811 -0.634 644 HA ILE 88 HA ILE 88 -16.358 18.941 1.523 645 HB ILE 88 HB ILE 88 -18.945 17.335 1.456 646 1HG1 ILE 88 2HG1 ILE 88 -19.626 19.636 1.680 647 2HG1 ILE 88 3HG1 ILE 88 -19.825 18.793 3.203 648 1HG2 ILE 88 1HG2 ILE 88 -17.319 16.225 2.813 649 2HG2 ILE 88 2HG2 ILE 88 -16.895 17.730 3.666 650 3HG2 ILE 88 3HG2 ILE 88 -18.488 16.974 3.876 651 1HD1 ILE 88 1HD1 ILE 88 -19.045 21.022 3.582 652 2HD1 ILE 88 2HD1 ILE 88 -17.767 19.894 4.070 653 3HD1 ILE 88 3HD1 ILE 88 -17.639 20.783 2.532 654 H ALA 89 H ALA 89 -14.935 17.229 1.656 655 HA ALA 89 HA ALA 89 -15.564 14.782 0.132 656 1HB ALA 89 HB1 ALA 89 -13.314 14.685 -0.798 657 2HB ALA 89 HB2 ALA 89 -14.121 16.172 -1.329 658 3HB ALA 89 HB3 ALA 89 -12.896 16.213 -0.033 659 H GLU 90 H GLU 90 -14.633 12.906 0.945 660 HA GLU 90 HA GLU 90 -13.262 12.967 3.598 661 1HB GLU 90 HB2 GLU 90 -15.673 13.088 4.027 662 2HB GLU 90 HB3 GLU 90 -15.944 11.676 3.001 663 1HG GLU 90 HG2 GLU 90 -14.561 10.308 4.611 664 2HG GLU 90 HG3 GLU 90 -14.308 11.743 5.580 665 H ASN 91 H ASN 91 -12.002 11.133 3.956 666 HA ASN 91 HA ASN 91 -12.528 8.687 2.509 667 1HB ASN 91 HB2 ASN 91 -10.500 8.296 1.444 668 2HB ASN 91 HB3 ASN 91 -10.995 9.924 0.978 669 1HD2 ASN 91 1HD2 ASN 91 -7.424 10.282 1.485 670 2HD2 ASN 91 2HD2 ASN 91 -8.526 9.523 0.338 671 H LYS 92 H LYS 92 -10.138 7.315 3.262 672 HA LYS 92 HA LYS 92 -10.866 6.715 6.024 673 1HB LYS 92 HB2 LYS 92 -8.543 5.225 5.236 674 2HB LYS 92 HB3 LYS 92 -10.161 4.643 5.509 675 1HG LYS 92 HG2 LYS 92 -9.066 5.682 2.864 676 2HG LYS 92 HG3 LYS 92 -9.189 3.987 3.369 677 1HD LYS 92 HD2 LYS 92 -11.740 4.463 3.675 678 2HD LYS 92 HD3 LYS 92 -11.432 5.851 2.584 679 1HE LYS 92 HE2 LYS 92 -10.461 4.330 0.896 680 2HE LYS 92 HE3 LYS 92 -10.730 2.946 1.951 681 1HZ LYS 92 HZ1 LYS 92 -13.116 3.385 1.832 682 2HZ LYS 92 HZ2 LYS 92 -12.873 4.679 0.831 683 3HZ LYS 92 HZ3 LYS 92 -12.517 3.158 0.338 684 H ALA 93 H ALA 93 -8.521 8.744 4.654 685 HA ALA 93 HA ALA 93 -6.714 8.721 7.014 686 1HB ALA 93 HB1 ALA 93 -5.776 8.621 4.736 687 2HB ALA 93 HB2 ALA 93 -6.518 10.172 4.321 688 3HB ALA 93 HB3 ALA 93 -5.270 10.073 5.595 689 H GLY 94 H GLY 94 -9.230 10.767 5.468 690 1HA GLY 94 HA2 GLY 94 -9.524 12.448 7.749 691 2HA GLY 94 HA3 GLY 94 -8.462 13.252 6.598 692 H GLU 95 H GLU 95 -10.040 14.912 6.556 693 HA GLU 95 HA GLU 95 -12.229 14.614 4.600 694 1HB GLU 95 HB2 GLU 95 -13.194 13.902 6.798 695 2HB GLU 95 HB3 GLU 95 -12.662 15.435 7.511 696 1HG GLU 95 HG2 GLU 95 -14.161 16.610 5.852 697 2HG GLU 95 HG3 GLU 95 -14.766 15.032 5.332 698 H GLN 96 H GLN 96 -12.763 16.607 3.634 699 HA GLN 96 HA GLN 96 -11.653 19.106 4.681 700 1HB GLN 96 HB2 GLN 96 -9.798 17.788 3.533 701 2HB GLN 96 HB3 GLN 96 -10.600 18.143 1.998 702 1HG GLN 96 HG2 GLN 96 -10.216 20.487 2.244 703 2HG GLN 96 HG3 GLN 96 -9.886 20.341 3.951 704 1HE2 GLN 96 1HE2 GLN 96 -7.842 18.938 4.516 705 2HE2 GLN 96 2HE2 GLN 96 -6.467 19.190 3.448 706 H ASP 97 H ASP 97 -12.022 20.968 3.006 707 HA ASP 97 HA ASP 97 -14.425 20.632 1.326 708 1HB ASP 97 HB2 ASP 97 -15.765 22.182 2.614 709 2HB ASP 97 HB3 ASP 97 -15.297 20.824 3.610 710 H ALA 98 H ALA 98 -15.020 22.483 0.112 711 HA ALA 98 HA ALA 98 -13.465 24.976 0.300 712 1HB ALA 98 HB1 ALA 98 -12.197 23.611 -1.307 713 2HB ALA 98 HB2 ALA 98 -13.632 23.425 -2.318 714 3HB ALA 98 HB3 ALA 98 -12.922 25.028 -2.113 715 H THR 99 H THR 99 -14.448 26.559 -1.574 716 HA THR 99 HA THR 99 -17.438 26.469 -1.526 717 HB THR 99 HB THR 99 -15.698 28.681 -0.353 718 HG1 THR 99 HG1 THR 99 -16.636 28.086 1.579 719 1HG2 THR 99 1HG2 THR 99 -17.842 29.690 0.400 720 2HG2 THR 99 2HG2 THR 99 -17.715 29.639 -1.353 721 3HG2 THR 99 3HG2 THR 99 -18.725 28.469 -0.524 722 H ILE 100 H ILE 100 -18.371 27.582 -3.242 723 HA ILE 100 HA ILE 100 -16.736 29.327 -5.005 724 HB ILE 100 HB ILE 100 -18.230 26.855 -5.989 725 1HG1 ILE 100 2HG1 ILE 100 -15.236 27.403 -5.956 726 2HG1 ILE 100 3HG1 ILE 100 -16.095 26.210 -4.971 727 1HG2 ILE 100 1HG2 ILE 100 -17.327 27.509 -8.259 728 2HG2 ILE 100 2HG2 ILE 100 -18.477 28.645 -7.586 729 3HG2 ILE 100 3HG2 ILE 100 -16.740 29.029 -7.527 730 1HD1 ILE 100 1HD1 ILE 100 -16.814 25.045 -7.028 731 2HD1 ILE 100 2HD1 ILE 100 -15.674 26.074 -7.962 732 3HD1 ILE 100 3HD1 ILE 100 -15.094 25.000 -6.678 733 H HIS 101 H HIS 101 -17.957 31.022 -5.794 734 HA HIS 101 HA HIS 101 -20.894 30.992 -5.386 735 1HB HIS 101 HB2 HIS 101 -19.243 33.203 -6.628 736 2HB HIS 101 HB3 HIS 101 -20.837 33.330 -5.903 737 HD1 HIS 101 HD1 HIS 101 -17.192 33.553 -5.082 738 HD2 HIS 101 HD2 HIS 101 -20.879 33.130 -3.102 739 HE1 HIS 101 HE1 HIS 101 -16.754 34.085 -2.635 740 H LEU 102 H LEU 102 -22.428 30.964 -7.093 741 HA LEU 102 HA LEU 102 -21.416 31.240 -9.850 742 1HB LEU 102 HB2 LEU 102 -21.802 28.854 -9.550 743 2HB LEU 102 HB3 LEU 102 -23.381 29.159 -8.806 744 HG LEU 102 HG LEU 102 -24.276 30.032 -10.928 745 1HD1 LEU 102 1HD1 LEU 102 -21.560 29.315 -12.100 746 2HD1 LEU 102 2HD1 LEU 102 -23.005 29.792 -13.020 747 3HD1 LEU 102 3HD1 LEU 102 -22.239 30.952 -11.935 748 1HD2 LEU 102 1HD2 LEU 102 -24.418 27.924 -12.087 749 2HD2 LEU 102 2HD2 LEU 102 -22.944 27.336 -11.264 750 3HD2 LEU 102 3HD2 LEU 102 -24.395 27.636 -10.349 751 H LYS 103 H LYS 103 -22.026 33.257 -10.184 752 HA LYS 103 HA LYS 103 -24.793 34.117 -9.536 753 1HB LYS 103 HB2 LYS 103 -22.537 35.614 -10.926 754 2HB LYS 103 HB3 LYS 103 -24.057 36.309 -10.326 755 1HG LYS 103 HG2 LYS 103 -21.771 35.179 -8.677 756 2HG LYS 103 HG3 LYS 103 -22.227 36.862 -8.815 757 1HD LYS 103 HD2 LYS 103 -23.824 34.605 -7.494 758 2HD LYS 103 HD3 LYS 103 -22.972 35.870 -6.641 759 1HE LYS 103 HE2 LYS 103 -25.373 36.311 -8.483 760 2HE LYS 103 HE3 LYS 103 -25.467 36.143 -6.749 761 1HZ LYS 103 HZ1 LYS 103 -23.993 38.314 -8.133 762 2HZ LYS 103 HZ2 LYS 103 -25.414 38.491 -7.371 763 3HZ LYS 103 HZ3 LYS 103 -24.085 38.129 -6.519 764 H VAL 104 H VAL 104 -26.178 35.055 -11.163 765 HA VAL 104 HA VAL 104 -25.680 34.252 -13.990 766 HB VAL 104 HB VAL 104 -28.175 33.559 -12.378 767 1HG1 VAL 104 1HG1 VAL 104 -27.590 33.193 -15.339 768 2HG1 VAL 104 2HG1 VAL 104 -28.932 32.414 -14.498 769 3HG1 VAL 104 3HG1 VAL 104 -28.875 34.180 -14.631 770 1HG2 VAL 104 1HG2 VAL 104 -26.478 31.889 -11.950 771 2HG2 VAL 104 2HG2 VAL 104 -27.657 31.195 -13.041 772 3HG2 VAL 104 3HG2 VAL 104 -26.111 31.741 -13.680 773 H PHE 105 H PHE 105 -26.306 35.858 -15.444 774 HA PHE 105 HA PHE 105 -28.261 37.874 -14.541 775 1HB PHE 105 HB2 PHE 105 -27.047 39.408 -15.891 776 2HB PHE 105 HB3 PHE 105 -25.971 38.718 -14.686 777 HD1 PHE 105 HD1 PHE 105 -24.352 36.838 -15.485 778 HD2 PHE 105 HD2 PHE 105 -26.410 39.525 -18.169 779 HE1 PHE 105 HE1 PHE 105 -22.683 36.344 -17.226 780 HE2 PHE 105 HE2 PHE 105 -24.688 39.065 -19.909 781 HZ PHE 105 HZ PHE 105 -22.830 37.472 -19.440 782 H ALA 106 H ALA 106 -29.800 38.526 -15.973 783 HA ALA 106 HA ALA 106 -30.342 36.780 -18.345 784 1HB ALA 106 HB1 ALA 106 -32.667 37.469 -18.029 785 2HB ALA 106 HB2 ALA 106 -31.985 36.768 -16.545 786 3HB ALA 106 HB3 ALA 106 -32.199 38.538 -16.692 787 H LYS 107 H LYS 107 -28.392 38.476 -18.963 788 HA LYS 107 HA LYS 107 -27.615 40.184 -20.221 789 1HB LYS 107 HB2 LYS 107 -30.281 39.848 -21.618 790 2HB LYS 107 HB3 LYS 107 -28.989 40.854 -22.255 791 1HG LYS 107 HG2 LYS 107 -28.644 37.891 -21.665 792 2HG LYS 107 HG3 LYS 107 -29.176 38.525 -23.206 793 1HD LYS 107 HD2 LYS 107 -26.485 39.152 -21.916 794 2HD LYS 107 HD3 LYS 107 -26.812 37.953 -23.184 795 1HE LYS 107 HE2 LYS 107 -27.685 39.785 -24.651 796 2HE LYS 107 HE3 LYS 107 -27.233 40.959 -23.417 797 1HZ LYS 107 HZ1 LYS 107 -24.889 40.277 -23.685 798 2HZ LYS 107 HZ2 LYS 107 -25.313 39.179 -24.830 799 3HZ LYS 107 HZ3 LYS 107 -25.505 40.759 -25.110 Start of MODEL 8 1 1H GLY 1 H1 GLY 1 4.293 11.286 2.602 2 2H GLY 1 H2 GLY 1 5.776 10.645 2.867 3 3H GLY 1 H3 GLY 1 5.211 10.729 1.343 4 1HA GLY 1 HA2 GLY 1 5.046 8.475 2.162 5 2HA GLY 1 HA3 GLY 1 4.034 9.068 3.484 6 H LYS 2 H LYS 2 3.480 7.141 1.243 7 HA LYS 2 HA LYS 2 0.839 8.048 0.450 8 1HB LYS 2 HB2 LYS 2 2.556 9.097 -1.197 9 2HB LYS 2 HB3 LYS 2 2.854 7.463 -1.773 10 1HG LYS 2 HG2 LYS 2 0.425 7.280 -2.400 11 2HG LYS 2 HG3 LYS 2 0.170 8.937 -1.820 12 1HD LYS 2 HD2 LYS 2 1.821 9.729 -3.515 13 2HD LYS 2 HD3 LYS 2 2.113 8.049 -4.026 14 1HE LYS 2 HE2 LYS 2 -0.296 7.860 -4.657 15 2HE LYS 2 HE3 LYS 2 -0.561 9.509 -4.122 16 1HZ LYS 2 HZ1 LYS 2 -0.278 9.455 -6.498 17 2HZ LYS 2 HZ2 LYS 2 0.960 10.293 -5.828 18 3HZ LYS 2 HZ3 LYS 2 1.209 8.753 -6.349 19 H ASP 3 H ASP 3 -0.339 6.345 -0.733 20 HA ASP 3 HA ASP 3 0.208 3.785 0.433 21 1HB ASP 3 HB2 ASP 3 -1.938 3.205 -0.142 22 2HB ASP 3 HB3 ASP 3 -2.045 4.936 0.124 23 H ILE 4 H ILE 4 1.633 4.958 -2.272 24 HA ILE 4 HA ILE 4 1.206 2.903 -4.229 25 HB ILE 4 HB ILE 4 3.432 4.925 -3.888 26 1HG1 ILE 4 2HG1 ILE 4 1.184 5.920 -4.237 27 2HG1 ILE 4 3HG1 ILE 4 2.315 6.217 -5.556 28 1HG2 ILE 4 1HG2 ILE 4 2.826 3.061 -6.244 29 2HG2 ILE 4 2HG2 ILE 4 3.870 4.518 -6.368 30 3HG2 ILE 4 3HG2 ILE 4 4.330 3.192 -5.295 31 1HD1 ILE 4 1HD1 ILE 4 0.041 4.176 -5.641 32 2HD1 ILE 4 2HD1 ILE 4 0.056 5.790 -6.372 33 3HD1 ILE 4 3HD1 ILE 4 1.145 4.547 -6.986 34 H GLN 5 H GLN 5 3.552 3.125 -1.628 35 HA GLN 5 HA GLN 5 4.203 0.288 -1.789 36 1HB GLN 5 HB2 GLN 5 6.584 0.537 -2.273 37 2HB GLN 5 HB3 GLN 5 5.637 1.189 -3.594 38 1HG GLN 5 HG2 GLN 5 5.995 3.511 -2.760 39 2HG GLN 5 HG3 GLN 5 6.907 2.875 -1.402 40 1HE2 GLN 5 1HE2 GLN 5 9.912 2.675 -3.302 41 2HE2 GLN 5 2HE2 GLN 5 9.166 2.441 -1.723 42 H VAL 6 H VAL 6 3.212 2.139 0.136 43 HA VAL 6 HA VAL 6 4.690 1.291 2.525 44 HB VAL 6 HB VAL 6 4.079 4.268 2.341 45 1HG1 VAL 6 1HG1 VAL 6 4.502 3.327 4.585 46 2HG1 VAL 6 2HG1 VAL 6 6.040 2.631 4.025 47 3HG1 VAL 6 3HG1 VAL 6 5.806 4.381 4.116 48 1HG2 VAL 6 1HG2 VAL 6 6.458 4.774 1.921 49 2HG2 VAL 6 2HG2 VAL 6 6.753 3.060 1.560 50 3HG2 VAL 6 3HG2 VAL 6 5.680 4.017 0.505 51 H ILE 7 H ILE 7 3.280 1.517 4.427 52 HA ILE 7 HA ILE 7 0.384 1.723 3.781 53 HB ILE 7 HB ILE 7 1.610 1.014 6.465 54 1HG1 ILE 7 2HG1 ILE 7 0.676 -0.845 4.237 55 2HG1 ILE 7 3HG1 ILE 7 2.327 -0.610 4.744 56 1HG2 ILE 7 1HG2 ILE 7 -0.693 0.161 6.883 57 2HG2 ILE 7 2HG2 ILE 7 -0.756 1.856 6.449 58 3HG2 ILE 7 3HG2 ILE 7 -1.185 0.632 5.251 59 1HD1 ILE 7 1HD1 ILE 7 0.161 -1.872 6.426 60 2HD1 ILE 7 2HD1 ILE 7 1.584 -2.660 5.737 61 3HD1 ILE 7 3HD1 ILE 7 1.795 -1.462 7.031 62 H VAL 8 H VAL 8 0.296 3.885 3.240 63 HA VAL 8 HA VAL 8 -0.040 5.732 5.504 64 HB VAL 8 HB VAL 8 1.701 6.528 3.142 65 1HG1 VAL 8 1HG1 VAL 8 2.038 8.606 4.502 66 2HG1 VAL 8 2HG1 VAL 8 0.362 8.422 3.994 67 3HG1 VAL 8 3HG1 VAL 8 0.810 8.025 5.670 68 1HG2 VAL 8 1HG2 VAL 8 3.521 6.779 4.735 69 2HG2 VAL 8 2HG2 VAL 8 2.505 6.118 6.049 70 3HG2 VAL 8 3HG2 VAL 8 2.989 5.116 4.664 71 H ASN 9 H ASN 9 -2.140 5.660 5.181 72 HA ASN 9 HA ASN 9 -3.385 6.345 2.595 73 1HB ASN 9 HB2 ASN 9 -5.532 6.179 3.886 74 2HB ASN 9 HB3 ASN 9 -4.570 4.723 3.789 75 1HD2 ASN 9 1HD2 ASN 9 -4.005 4.501 7.293 76 2HD2 ASN 9 2HD2 ASN 9 -3.544 3.896 5.717 77 H VAL 10 H VAL 10 -3.722 8.227 1.931 78 HA VAL 10 HA VAL 10 -2.942 10.636 3.453 79 HB VAL 10 HB VAL 10 -3.522 10.128 0.506 80 1HG1 VAL 10 1HG1 VAL 10 -2.282 12.268 0.110 81 2HG1 VAL 10 2HG1 VAL 10 -3.842 12.509 0.901 82 3HG1 VAL 10 3HG1 VAL 10 -2.350 12.586 1.863 83 1HG2 VAL 10 1HG2 VAL 10 -1.107 10.285 0.221 84 2HG2 VAL 10 2HG2 VAL 10 -0.869 10.487 1.958 85 3HG2 VAL 10 3HG2 VAL 10 -1.491 8.974 1.320 86 HA PRO 11 HA PRO 11 -7.294 11.831 4.031 87 1HB PRO 11 HB2 PRO 11 -5.997 14.571 4.279 88 2HB PRO 11 HB3 PRO 11 -7.293 13.811 5.266 89 1HG PRO 11 HG2 PRO 11 -4.731 13.812 6.185 90 2HG PRO 11 HG3 PRO 11 -5.731 12.332 6.324 91 1HD PRO 11 HD2 PRO 11 -3.640 12.997 4.212 92 2HD PRO 11 HD3 PRO 11 -3.871 11.491 5.164 93 HA PRO 12 HA PRO 12 -8.535 13.705 0.207 94 1HB PRO 12 HB2 PRO 12 -10.666 15.307 1.563 95 2HB PRO 12 HB3 PRO 12 -10.806 14.074 0.259 96 1HG PRO 12 HG2 PRO 12 -11.525 13.517 2.818 97 2HG PRO 12 HG3 PRO 12 -10.709 12.307 1.802 98 1HD PRO 12 HD2 PRO 12 -9.461 14.162 3.876 99 2HD PRO 12 HD3 PRO 12 -9.272 12.382 3.693 100 H SER 13 H SER 13 -8.387 15.594 -0.980 101 HA SER 13 HA SER 13 -7.474 18.135 0.316 102 1HB SER 13 HB2 SER 13 -6.176 16.659 -1.991 103 2HB SER 13 HB3 SER 13 -5.758 18.308 -1.455 104 HG SER 13 HG SER 13 -4.381 16.717 -0.538 105 H VAL 14 H VAL 14 -10.117 18.040 -0.378 106 HA VAL 14 HA VAL 14 -10.517 18.788 -3.119 107 HB VAL 14 HB VAL 14 -12.239 17.685 -1.761 108 1HG1 VAL 14 1HG1 VAL 14 -12.110 19.208 0.269 109 2HG1 VAL 14 2HG1 VAL 14 -12.948 20.453 -0.687 110 3HG1 VAL 14 3HG1 VAL 14 -13.732 18.887 -0.352 111 1HG2 VAL 14 1HG2 VAL 14 -14.150 18.853 -2.777 112 2HG2 VAL 14 2HG2 VAL 14 -13.174 20.278 -3.082 113 3HG2 VAL 14 3HG2 VAL 14 -12.811 18.739 -3.911 114 H ARG 15 H ARG 15 -10.612 20.650 -4.095 115 HA ARG 15 HA ARG 15 -10.218 23.233 -2.587 116 1HB ARG 15 HB2 ARG 15 -8.421 21.841 -4.605 117 2HB ARG 15 HB3 ARG 15 -8.432 23.619 -4.537 118 1HG ARG 15 HG2 ARG 15 -7.632 23.732 -2.364 119 2HG ARG 15 HG3 ARG 15 -8.028 22.036 -1.972 120 1HD ARG 15 HD2 ARG 15 -5.975 22.864 -4.062 121 2HD ARG 15 HD3 ARG 15 -5.590 22.489 -2.353 122 HE ARG 15 HE ARG 15 -7.031 20.280 -3.231 123 1HH1 ARG 15 1HH1 ARG 15 -6.368 18.479 -4.101 124 2HH1 ARG 15 2HH1 ARG 15 -4.779 18.355 -4.813 125 1HH2 ARG 15 1HH2 ARG 15 -3.973 21.658 -4.228 126 2HH2 ARG 15 2HH2 ARG 15 -3.413 20.133 -4.851 127 H ALA 16 H ALA 16 -10.880 25.067 -3.630 128 HA ALA 16 HA ALA 16 -12.892 24.706 -5.757 129 1HB ALA 16 HB1 ALA 16 -12.040 27.161 -4.197 130 2HB ALA 16 HB2 ALA 16 -13.403 27.057 -5.341 131 3HB ALA 16 HB3 ALA 16 -13.437 26.120 -3.851 132 H ARG 17 H ARG 17 -12.108 24.437 -7.722 133 HA ARG 17 HA ARG 17 -9.585 25.536 -8.626 134 1HB ARG 17 HB2 ARG 17 -10.776 23.343 -9.392 135 2HB ARG 17 HB3 ARG 17 -11.699 24.386 -10.489 136 1HG ARG 17 HG2 ARG 17 -9.485 25.273 -11.405 137 2HG ARG 17 HG3 ARG 17 -8.673 24.166 -10.301 138 1HD ARG 17 HD2 ARG 17 -8.630 23.147 -12.451 139 2HD ARG 17 HD3 ARG 17 -9.728 22.238 -11.453 140 HE ARG 17 HE ARG 17 -11.294 22.595 -13.120 141 1HH1 ARG 17 1HH1 ARG 17 -9.091 25.323 -13.361 142 2HH1 ARG 17 2HH1 ARG 17 -9.926 25.957 -14.746 143 1HH2 ARG 17 1HH2 ARG 17 -12.238 23.429 -14.898 144 2HH2 ARG 17 2HH2 ARG 17 -11.573 24.875 -15.654 145 H GLN 18 H GLN 18 -12.912 26.432 -9.058 146 HA GLN 18 HA GLN 18 -12.155 29.055 -10.323 147 1HB GLN 18 HB2 GLN 18 -14.804 27.565 -10.132 148 2HB GLN 18 HB3 GLN 18 -14.660 29.192 -10.735 149 1HG GLN 18 HG2 GLN 18 -13.271 26.788 -11.984 150 2HG GLN 18 HG3 GLN 18 -14.797 27.460 -12.528 151 1HE2 GLN 18 1HE2 GLN 18 -12.494 28.963 -14.869 152 2HE2 GLN 18 2HE2 GLN 18 -13.273 27.422 -14.568 153 H SER 19 H SER 19 -14.073 30.703 -9.387 154 HA SER 19 HA SER 19 -14.335 30.425 -6.445 155 1HB SER 19 HB2 SER 19 -13.336 32.596 -5.955 156 2HB SER 19 HB3 SER 19 -12.141 31.463 -6.644 157 HG SER 19 HG SER 19 -12.028 33.573 -7.583 158 H THR 20 H THR 20 -15.084 32.524 -9.229 159 HA THR 20 HA THR 20 -17.891 32.655 -8.347 160 HB THR 20 HB THR 20 -16.313 35.219 -8.697 161 HG1 THR 20 HG1 THR 20 -16.678 33.760 -6.582 162 1HG2 THR 20 1HG2 THR 20 -18.499 36.271 -8.011 163 2HG2 THR 20 2HG2 THR 20 -18.549 35.528 -9.604 164 3HG2 THR 20 3HG2 THR 20 -19.278 34.678 -8.211 165 H MET 21 H MET 21 -18.822 31.907 -10.030 166 HA MET 21 HA MET 21 -17.939 32.459 -12.809 167 1HB MET 21 HB2 MET 21 -19.976 30.545 -11.590 168 2HB MET 21 HB3 MET 21 -19.545 30.617 -13.306 169 1HG MET 21 HG2 MET 21 -17.705 29.890 -10.996 170 2HG MET 21 HG3 MET 21 -18.456 28.783 -12.100 171 1HE MET 21 HE1 MET 21 -16.546 29.330 -15.459 172 2HE MET 21 HE2 MET 21 -17.932 28.585 -14.624 173 3HE MET 21 HE3 MET 21 -17.971 30.307 -15.074 174 H ASN 22 H ASN 22 -19.647 32.838 -14.450 175 HA ASN 22 HA ASN 22 -22.132 34.122 -13.517 176 1HB ASN 22 HB2 ASN 22 -20.063 35.520 -15.271 177 2HB ASN 22 HB3 ASN 22 -21.733 36.042 -15.136 178 1HD2 ASN 22 1HD2 ASN 22 -21.321 37.269 -11.755 179 2HD2 ASN 22 2HD2 ASN 22 -22.462 36.271 -12.661 180 H ALA 23 H ALA 23 -23.702 34.500 -15.229 181 HA ALA 23 HA ALA 23 -23.321 33.424 -17.875 182 1HB ALA 23 HB1 ALA 23 -25.063 31.661 -17.667 183 2HB ALA 23 HB2 ALA 23 -23.632 31.276 -16.657 184 3HB ALA 23 HB3 ALA 23 -25.107 31.919 -15.909 185 H THR 24 H THR 24 -25.017 33.867 -19.294 186 HA THR 24 HA THR 24 -27.056 35.856 -18.411 187 HB THR 24 HB THR 24 -26.357 35.095 -21.258 188 HG1 THR 24 HG1 THR 24 -25.024 36.841 -21.296 189 1HG2 THR 24 1HG2 THR 24 -27.641 37.586 -20.008 190 2HG2 THR 24 2HG2 THR 24 -27.292 37.352 -21.725 191 3HG2 THR 24 3HG2 THR 24 -28.515 36.336 -20.944 192 H ALA 25 H ALA 25 -28.663 34.636 -17.507 193 HA ALA 25 HA ALA 25 -29.496 32.067 -18.175 194 1HB ALA 25 HB1 ALA 25 -31.670 32.857 -17.049 195 2HB ALA 25 HB2 ALA 25 -30.153 33.058 -16.153 196 3HB ALA 25 HB3 ALA 25 -30.917 34.452 -16.956 197 H ASN 26 H ASN 26 -31.052 31.098 -19.293 198 HA ASN 26 HA ASN 26 -32.737 30.631 -20.672 199 1HB ASN 26 HB2 ASN 26 -33.677 32.727 -19.477 200 2HB ASN 26 HB3 ASN 26 -33.448 33.544 -21.034 201 1HD2 ASN 26 1HD2 ASN 26 -36.326 30.632 -20.633 202 2HD2 ASN 26 2HD2 ASN 26 -34.950 30.684 -19.525 203 H LEU 27 H LEU 27 -29.973 31.957 -21.755 204 HA LEU 27 HA LEU 27 -30.690 32.142 -24.616 205 1HB LEU 27 HB2 LEU 27 -27.980 32.216 -23.229 206 2HB LEU 27 HB3 LEU 27 -28.277 32.511 -24.932 207 HG LEU 27 HG LEU 27 -29.185 34.261 -22.612 208 1HD1 LEU 27 1HD1 LEU 27 -27.696 35.899 -23.639 209 2HD1 LEU 27 2HD1 LEU 27 -26.772 34.401 -23.421 210 3HD1 LEU 27 3HD1 LEU 27 -27.389 34.817 -25.022 211 1HD2 LEU 27 1HD2 LEU 27 -29.768 34.653 -25.583 212 2HD2 LEU 27 2HD2 LEU 27 -30.947 34.316 -24.288 213 3HD2 LEU 27 3HD2 LEU 27 -30.030 35.844 -24.298 214 H SER 28 H SER 28 -30.307 29.538 -22.583 215 HA SER 28 HA SER 28 -30.173 27.320 -22.888 216 1HB SER 28 HB2 SER 28 -30.570 27.894 -25.851 217 2HB SER 28 HB3 SER 28 -30.820 26.348 -25.023 218 HG SER 28 HG SER 28 -32.218 28.794 -24.536 219 H GLN 29 H GLN 29 -27.688 28.870 -22.972 220 HA GLN 29 HA GLN 29 -25.806 27.323 -24.622 221 1HB GLN 29 HB2 GLN 29 -24.167 28.791 -23.863 222 2HB GLN 29 HB3 GLN 29 -25.581 29.779 -24.175 223 1HG GLN 29 HG2 GLN 29 -24.857 28.848 -21.329 224 2HG GLN 29 HG3 GLN 29 -24.097 30.227 -22.084 225 1HE2 GLN 29 1HE2 GLN 29 -26.698 32.312 -20.944 226 2HE2 GLN 29 2HE2 GLN 29 -24.981 32.128 -21.327 227 H SER 30 H SER 30 -23.679 26.660 -23.299 228 HA SER 30 HA SER 30 -24.426 25.216 -20.826 229 1HB SER 30 HB2 SER 30 -22.777 23.460 -21.418 230 2HB SER 30 HB3 SER 30 -24.099 23.548 -22.600 231 HG SER 30 HG SER 30 -22.118 23.410 -23.670 232 H VAL 31 H VAL 31 -22.876 25.038 -19.298 233 HA VAL 31 HA VAL 31 -20.572 26.953 -19.351 234 HB VAL 31 HB VAL 31 -22.823 26.822 -17.288 235 1HG1 VAL 31 1HG1 VAL 31 -20.841 27.103 -15.998 236 2HG1 VAL 31 2HG1 VAL 31 -20.168 28.316 -17.106 237 3HG1 VAL 31 3HG1 VAL 31 -21.618 28.664 -16.114 238 1HG2 VAL 31 1HG2 VAL 31 -21.815 29.066 -19.085 239 2HG2 VAL 31 2HG2 VAL 31 -23.378 28.219 -19.207 240 3HG2 VAL 31 3HG2 VAL 31 -23.055 29.244 -17.816 241 H THR 32 H THR 32 -18.724 26.190 -18.287 242 HA THR 32 HA THR 32 -19.046 23.728 -16.592 243 HB THR 32 HB THR 32 -16.521 24.583 -18.053 244 HG1 THR 32 HG1 THR 32 -18.091 23.972 -19.556 245 1HG2 THR 32 1HG2 THR 32 -15.908 22.155 -17.635 246 2HG2 THR 32 2HG2 THR 32 -16.037 23.071 -16.144 247 3HG2 THR 32 3HG2 THR 32 -17.342 21.992 -16.611 248 H LEU 33 H LEU 33 -18.035 23.659 -14.632 249 HA LEU 33 HA LEU 33 -16.290 25.777 -13.601 250 1HB LEU 33 HB2 LEU 33 -17.710 26.403 -11.777 251 2HB LEU 33 HB3 LEU 33 -18.495 26.794 -13.272 252 HG LEU 33 HG LEU 33 -19.203 24.160 -11.930 253 1HD1 LEU 33 1HD1 LEU 33 -19.254 25.763 -10.112 254 2HD1 LEU 33 2HD1 LEU 33 -20.279 26.855 -11.081 255 3HD1 LEU 33 3HD1 LEU 33 -20.882 25.265 -10.584 256 1HD2 LEU 33 1HD2 LEU 33 -20.868 26.229 -13.470 257 2HD2 LEU 33 2HD2 LEU 33 -20.264 24.703 -14.121 258 3HD2 LEU 33 3HD2 LEU 33 -21.450 24.694 -12.804 259 H ALA 34 H ALA 34 -15.648 25.172 -11.201 260 HA ALA 34 HA ALA 34 -15.873 22.313 -10.698 261 1HB ALA 34 HB1 ALA 34 -13.445 21.891 -11.184 262 2HB ALA 34 HB2 ALA 34 -14.429 22.320 -12.613 263 3HB ALA 34 HB3 ALA 34 -13.353 23.505 -11.888 264 H CYS 35 H CYS 35 -15.134 21.488 -8.957 265 HA CYS 35 HA CYS 35 -13.256 22.832 -7.130 266 1HB CYS 35 HB2 CYS 35 -15.587 23.313 -6.220 267 2HB CYS 35 HB3 CYS 35 -15.869 21.573 -6.166 268 H ASP 36 H ASP 36 -11.578 21.388 -7.342 269 HA ASP 36 HA ASP 36 -12.201 18.603 -8.056 270 1HB ASP 36 HB2 ASP 36 -9.973 18.426 -8.816 271 2HB ASP 36 HB3 ASP 36 -10.613 19.955 -9.400 272 H ALA 37 H ALA 37 -11.945 16.834 -6.875 273 HA ALA 37 HA ALA 37 -10.673 17.087 -4.198 274 1HB ALA 37 HB1 ALA 37 -11.996 15.093 -3.631 275 2HB ALA 37 HB2 ALA 37 -13.077 16.358 -4.240 276 3HB ALA 37 HB3 ALA 37 -12.634 15.018 -5.282 277 H ASP 38 H ASP 38 -9.313 15.435 -3.469 278 HA ASP 38 HA ASP 38 -8.165 13.444 -5.271 279 1HB ASP 38 HB2 ASP 38 -7.059 15.575 -5.955 280 2HB ASP 38 HB3 ASP 38 -6.600 15.866 -4.283 281 H GLY 39 H GLY 39 -6.500 12.110 -4.048 282 1HA GLY 39 HA2 GLY 39 -5.790 12.104 -1.392 283 2HA GLY 39 HA3 GLY 39 -7.444 11.456 -1.378 284 H PHE 40 H PHE 40 -5.444 9.804 -0.522 285 HA PHE 40 HA PHE 40 -5.287 7.702 -2.602 286 1HB PHE 40 HB2 PHE 40 -2.804 8.741 -1.253 287 2HB PHE 40 HB3 PHE 40 -2.933 7.323 -2.272 288 HD1 PHE 40 HD1 PHE 40 -2.652 10.961 -2.190 289 HD2 PHE 40 HD2 PHE 40 -3.533 7.585 -4.725 290 HE1 PHE 40 HE1 PHE 40 -2.306 12.390 -4.190 291 HE2 PHE 40 HE2 PHE 40 -3.200 9.025 -6.743 292 HZ PHE 40 HZ PHE 40 -2.608 11.432 -6.464 293 HA PRO 41 HA PRO 41 -6.354 5.696 -2.490 294 1HB PRO 41 HB2 PRO 41 -8.605 5.074 -0.588 295 2HB PRO 41 HB3 PRO 41 -8.020 4.125 -1.999 296 1HG PRO 41 HG2 PRO 41 -7.291 3.403 0.509 297 2HG PRO 41 HG3 PRO 41 -6.066 3.460 -0.778 298 1HD PRO 41 HD2 PRO 41 -6.655 5.566 1.333 299 2HD PRO 41 HD3 PRO 41 -5.092 4.888 0.832 300 H GLU 42 H GLU 42 -7.975 6.442 -3.811 301 HA GLU 42 HA GLU 42 -8.592 9.095 -3.774 302 1HB GLU 42 HB2 GLU 42 -10.104 8.692 -5.655 303 2HB GLU 42 HB3 GLU 42 -8.600 7.767 -5.774 304 1HG GLU 42 HG2 GLU 42 -9.879 5.746 -4.945 305 2HG GLU 42 HG3 GLU 42 -11.356 6.712 -4.969 306 HA PRO 43 HA PRO 43 -11.913 9.508 -0.978 307 1HB PRO 43 HB2 PRO 43 -12.461 12.144 -1.128 308 2HB PRO 43 HB3 PRO 43 -10.798 11.592 -0.729 309 1HG PRO 43 HG2 PRO 43 -11.886 12.395 -3.435 310 2HG PRO 43 HG3 PRO 43 -10.438 13.030 -2.601 311 1HD PRO 43 HD2 PRO 43 -10.348 10.961 -4.451 312 2HD PRO 43 HD3 PRO 43 -9.235 11.029 -3.045 313 H THR 44 H THR 44 -14.064 10.227 -0.605 314 HA THR 44 HA THR 44 -15.967 10.047 -2.954 315 HB THR 44 HB THR 44 -16.447 9.690 0.054 316 HG1 THR 44 HG1 THR 44 -15.382 7.946 -0.943 317 1HG2 THR 44 1HG2 THR 44 -18.482 10.584 -1.060 318 2HG2 THR 44 2HG2 THR 44 -18.359 9.297 -2.281 319 3HG2 THR 44 3HG2 THR 44 -18.677 8.880 -0.564 320 H MET 45 H MET 45 -17.024 11.960 -3.521 321 HA MET 45 HA MET 45 -16.882 14.246 -1.632 322 1HB MET 45 HB2 MET 45 -15.816 15.646 -3.156 323 2HB MET 45 HB3 MET 45 -14.898 14.149 -3.150 324 1HG MET 45 HG2 MET 45 -14.982 14.553 -5.404 325 2HG MET 45 HG3 MET 45 -16.402 13.536 -5.246 326 1HE MET 45 HE1 MET 45 -14.893 16.904 -6.257 327 2HE MET 45 HE2 MET 45 -16.228 18.055 -6.140 328 3HE MET 45 HE3 MET 45 -15.494 17.371 -4.656 329 H THR 46 H THR 46 -18.217 16.028 -2.059 330 HA THR 46 HA THR 46 -20.421 15.836 -4.011 331 HB THR 46 HB THR 46 -22.155 16.149 -2.217 332 HG1 THR 46 HG1 THR 46 -20.173 15.123 -0.457 333 1HG2 THR 46 1HG2 THR 46 -20.818 13.437 -1.935 334 2HG2 THR 46 2HG2 THR 46 -22.487 13.895 -1.579 335 3HG2 THR 46 3HG2 THR 46 -21.891 13.931 -3.240 336 H TRP 47 H TRP 47 -21.882 17.738 -3.830 337 HA TRP 47 HA TRP 47 -21.006 19.971 -2.237 338 1HB TRP 47 HB2 TRP 47 -20.662 21.516 -4.218 339 2HB TRP 47 HB3 TRP 47 -19.388 20.458 -3.735 340 HD1 TRP 47 HD1 TRP 47 -18.971 18.179 -5.236 341 HE1 TRP 47 HE1 TRP 47 -18.218 18.374 -7.655 342 HE3 TRP 47 HE3 TRP 47 -21.215 22.637 -6.379 343 HZ2 TRP 47 HZ2 TRP 47 -18.308 20.360 -9.736 344 HZ3 TRP 47 HZ3 TRP 47 -20.802 23.686 -8.601 345 HH2 TRP 47 HH2 TRP 47 -19.341 22.599 -10.243 346 H THR 48 H THR 48 -22.372 21.886 -2.435 347 HA THR 48 HA THR 48 -25.182 21.062 -3.027 348 HB THR 48 HB THR 48 -25.870 22.298 -1.083 349 HG1 THR 48 HG1 THR 48 -24.318 23.218 0.269 350 1HG2 THR 48 1HG2 THR 48 -23.452 20.631 -0.274 351 2HG2 THR 48 2HG2 THR 48 -24.860 20.991 0.718 352 3HG2 THR 48 3HG2 THR 48 -25.059 19.948 -0.697 353 H LYS 49 H LYS 49 -26.716 22.634 -3.487 354 HA LYS 49 HA LYS 49 -25.709 24.909 -5.091 355 1HB LYS 49 HB2 LYS 49 -27.163 22.917 -5.971 356 2HB LYS 49 HB3 LYS 49 -28.502 23.725 -5.205 357 1HG LYS 49 HG2 LYS 49 -28.093 25.727 -6.596 358 2HG LYS 49 HG3 LYS 49 -26.598 25.025 -7.231 359 1HD LYS 49 HD2 LYS 49 -27.916 23.148 -8.221 360 2HD LYS 49 HD3 LYS 49 -29.410 23.976 -7.687 361 1HE LYS 49 HE2 LYS 49 -28.836 25.949 -9.040 362 2HE LYS 49 HE3 LYS 49 -27.347 25.172 -9.572 363 1HZ LYS 49 HZ1 LYS 49 -30.054 24.138 -10.139 364 2HZ LYS 49 HZ2 LYS 49 -29.059 24.835 -11.239 365 3HZ LYS 49 HZ3 LYS 49 -28.670 23.406 -10.570 366 H ASP 50 H ASP 50 -25.379 25.746 -2.771 367 HA ASP 50 HA ASP 50 -25.723 27.386 -1.263 368 1HB ASP 50 HB2 ASP 50 -26.958 28.632 -3.046 369 2HB ASP 50 HB3 ASP 50 -28.457 27.942 -2.488 370 H GLY 51 H GLY 51 -27.503 24.557 -1.428 371 1HA GLY 51 HA2 GLY 51 -27.578 24.203 1.379 372 2HA GLY 51 HA3 GLY 51 -29.178 24.740 0.914 373 H GLU 52 H GLU 52 -29.177 23.311 -1.703 374 HA GLU 52 HA GLU 52 -29.828 20.607 -0.690 375 1HB GLU 52 HB2 GLU 52 -31.178 20.364 -2.666 376 2HB GLU 52 HB3 GLU 52 -31.600 21.812 -1.777 377 1HG GLU 52 HG2 GLU 52 -30.231 23.162 -3.405 378 2HG GLU 52 HG3 GLU 52 -29.960 21.678 -4.325 379 HA PRO 53 HA PRO 53 -26.257 18.982 -2.555 380 1HB PRO 53 HB2 PRO 53 -26.776 16.316 -2.898 381 2HB PRO 53 HB3 PRO 53 -26.707 17.091 -1.285 382 1HG PRO 53 HG2 PRO 53 -29.167 16.489 -2.968 383 2HG PRO 53 HG3 PRO 53 -28.895 16.092 -1.253 384 1HD PRO 53 HD2 PRO 53 -30.252 18.328 -1.990 385 2HD PRO 53 HD3 PRO 53 -29.158 18.336 -0.567 386 H ILE 54 H ILE 54 -25.163 18.553 -4.368 387 HA ILE 54 HA ILE 54 -26.558 18.168 -6.962 388 HB ILE 54 HB ILE 54 -23.792 19.348 -6.514 389 1HG1 ILE 54 2HG1 ILE 54 -26.199 21.109 -7.107 390 2HG1 ILE 54 3HG1 ILE 54 -25.749 20.780 -5.437 391 1HG2 ILE 54 1HG2 ILE 54 -24.121 20.405 -8.761 392 2HG2 ILE 54 2HG2 ILE 54 -24.234 18.650 -8.888 393 3HG2 ILE 54 3HG2 ILE 54 -25.707 19.617 -8.893 394 1HD1 ILE 54 1HD1 ILE 54 -23.569 21.715 -5.706 395 2HD1 ILE 54 2HD1 ILE 54 -23.823 21.994 -7.440 396 3HD1 ILE 54 3HD1 ILE 54 -24.776 22.884 -6.250 397 H GLU 55 H GLU 55 -26.071 16.016 -5.223 398 HA GLU 55 HA GLU 55 -23.518 14.779 -5.901 399 1HB GLU 55 HB2 GLU 55 -24.126 12.981 -4.439 400 2HB GLU 55 HB3 GLU 55 -24.369 14.547 -3.665 401 1HG GLU 55 HG2 GLU 55 -26.803 14.326 -4.019 402 2HG GLU 55 HG3 GLU 55 -26.544 12.728 -4.758 403 H GLN 56 H GLN 56 -23.098 13.779 -7.720 404 HA GLN 56 HA GLN 56 -25.053 13.348 -9.686 405 1HB GLN 56 HB2 GLN 56 -22.115 12.753 -9.463 406 2HB GLN 56 HB3 GLN 56 -22.990 12.396 -10.943 407 1HG GLN 56 HG2 GLN 56 -23.508 15.138 -9.887 408 2HG GLN 56 HG3 GLN 56 -21.833 14.838 -10.299 409 1HE2 GLN 56 1HE2 GLN 56 -24.609 15.105 -13.311 410 2HE2 GLN 56 2HE2 GLN 56 -25.140 15.056 -11.624 411 H GLU 57 H GLU 57 -24.669 11.297 -7.173 412 HA GLU 57 HA GLU 57 -25.163 8.734 -8.564 413 1HB GLU 57 HB2 GLU 57 -25.348 9.551 -5.648 414 2HB GLU 57 HB3 GLU 57 -25.593 7.924 -6.224 415 1HG GLU 57 HG2 GLU 57 -22.995 9.505 -6.479 416 2HG GLU 57 HG3 GLU 57 -23.344 8.258 -5.294 417 H ASP 58 H ASP 58 -26.966 11.497 -7.685 418 HA ASP 58 HA ASP 58 -29.559 10.193 -8.359 419 1HB ASP 58 HB2 ASP 58 -29.102 9.937 -5.891 420 2HB ASP 58 HB3 ASP 58 -29.052 11.708 -5.772 421 H ASN 59 H ASN 59 -27.540 12.829 -8.809 422 HA ASN 59 HA ASN 59 -29.765 14.679 -9.539 423 1HB ASN 59 HB2 ASN 59 -27.284 15.468 -7.997 424 2HB ASN 59 HB3 ASN 59 -28.515 16.571 -8.557 425 1HD2 ASN 59 1HD2 ASN 59 -29.120 14.394 -5.182 426 2HD2 ASN 59 2HD2 ASN 59 -27.725 14.092 -6.224 427 H GLU 60 H GLU 60 -29.605 14.692 -11.655 428 HA GLU 60 HA GLU 60 -27.127 15.410 -13.112 429 1HB GLU 60 HB2 GLU 60 -27.720 12.846 -12.671 430 2HB GLU 60 HB3 GLU 60 -28.996 13.132 -13.851 431 1HG GLU 60 HG2 GLU 60 -27.161 13.869 -15.449 432 2HG GLU 60 HG3 GLU 60 -25.994 13.440 -14.211 433 H GLU 61 H GLU 61 -29.993 16.453 -12.472 434 HA GLU 61 HA GLU 61 -31.896 16.473 -14.336 435 1HB GLU 61 HB2 GLU 61 -30.907 18.971 -12.928 436 2HB GLU 61 HB3 GLU 61 -32.530 18.742 -13.594 437 1HG GLU 61 HG2 GLU 61 -31.301 17.187 -11.277 438 2HG GLU 61 HG3 GLU 61 -32.513 18.457 -11.177 439 H LYS 62 H LYS 62 -29.028 18.500 -14.734 440 HA LYS 62 HA LYS 62 -29.199 18.387 -17.611 441 1HB LYS 62 HB2 LYS 62 -29.349 20.803 -18.048 442 2HB LYS 62 HB3 LYS 62 -30.803 20.219 -17.292 443 1HG LYS 62 HG2 LYS 62 -29.807 21.068 -15.055 444 2HG LYS 62 HG3 LYS 62 -28.604 21.909 -16.049 445 1HD LYS 62 HD2 LYS 62 -30.604 22.934 -17.321 446 2HD LYS 62 HD3 LYS 62 -31.587 22.334 -15.965 447 1HE LYS 62 HE2 LYS 62 -30.187 23.577 -14.377 448 2HE LYS 62 HE3 LYS 62 -29.093 24.077 -15.671 449 1HZ LYS 62 HZ1 LYS 62 -31.924 24.930 -15.352 450 2HZ LYS 62 HZ2 LYS 62 -30.545 25.832 -15.184 451 3HZ LYS 62 HZ3 LYS 62 -30.967 25.291 -16.674 452 H TYR 63 H TYR 63 -27.329 17.334 -15.947 453 HA TYR 63 HA TYR 63 -24.907 18.733 -16.630 454 1HB TYR 63 HB2 TYR 63 -24.238 19.238 -14.216 455 2HB TYR 63 HB3 TYR 63 -25.341 20.304 -14.998 456 HD1 TYR 63 HD1 TYR 63 -27.489 20.805 -14.159 457 HD2 TYR 63 HD2 TYR 63 -25.174 17.592 -12.469 458 HE1 TYR 63 HE1 TYR 63 -29.086 20.654 -12.268 459 HE2 TYR 63 HE2 TYR 63 -26.746 17.487 -10.535 460 HH TYR 63 HH TYR 63 -28.633 18.405 -9.541 461 H SER 64 H SER 64 -22.992 17.865 -16.183 462 HA SER 64 HA SER 64 -22.810 15.105 -15.084 463 1HB SER 64 HB2 SER 64 -22.012 15.823 -17.923 464 2HB SER 64 HB3 SER 64 -21.851 14.241 -17.161 465 HG SER 64 HG SER 64 -24.182 14.183 -16.988 466 H PHE 65 H PHE 65 -20.728 14.682 -14.258 467 HA PHE 65 HA PHE 65 -18.452 16.327 -15.147 468 1HB PHE 65 HB2 PHE 65 -17.943 16.818 -12.987 469 2HB PHE 65 HB3 PHE 65 -19.672 17.038 -13.112 470 HD1 PHE 65 HD1 PHE 65 -19.465 13.539 -12.558 471 HD2 PHE 65 HD2 PHE 65 -18.757 17.329 -10.594 472 HE1 PHE 65 HE1 PHE 65 -19.547 12.424 -10.349 473 HE2 PHE 65 HE2 PHE 65 -18.961 16.206 -8.390 474 HZ PHE 65 HZ PHE 65 -19.290 13.741 -8.277 475 H ASN 66 H ASN 66 -16.434 15.447 -13.720 476 HA ASN 66 HA ASN 66 -15.828 12.868 -15.089 477 1HB ASN 66 HB2 ASN 66 -13.556 13.683 -15.158 478 2HB ASN 66 HB3 ASN 66 -14.633 14.952 -15.735 479 1HD2 ASN 66 1HD2 ASN 66 -12.417 16.771 -13.526 480 2HD2 ASN 66 2HD2 ASN 66 -12.465 16.139 -15.186 481 H TYR 67 H TYR 67 -13.619 11.976 -13.936 482 HA TYR 67 HA TYR 67 -14.614 10.547 -11.627 483 1HB TYR 67 HB2 TYR 67 -11.851 10.462 -12.914 484 2HB TYR 67 HB3 TYR 67 -12.605 9.245 -11.905 485 HD1 TYR 67 HD1 TYR 67 -14.937 8.283 -12.797 486 HD2 TYR 67 HD2 TYR 67 -11.997 10.247 -15.276 487 HE1 TYR 67 HE1 TYR 67 -15.951 7.271 -14.827 488 HE2 TYR 67 HE2 TYR 67 -12.952 9.146 -17.292 489 HH TYR 67 HH TYR 67 -14.584 7.744 -18.104 490 H ASP 68 H ASP 68 -12.634 13.423 -11.862 491 HA ASP 68 HA ASP 68 -11.557 13.232 -9.100 492 1HB ASP 68 HB2 ASP 68 -11.522 15.458 -11.178 493 2HB ASP 68 HB3 ASP 68 -10.642 15.475 -9.649 494 H GLY 69 H GLY 69 -14.521 13.923 -10.512 495 1HA GLY 69 HA2 GLY 69 -16.458 14.905 -9.812 496 2HA GLY 69 HA3 GLY 69 -15.754 15.080 -8.198 497 H SER 70 H SER 70 -14.078 16.529 -10.945 498 HA SER 70 HA SER 70 -14.353 19.104 -9.581 499 1HB SER 70 HB2 SER 70 -12.407 19.740 -10.970 500 2HB SER 70 HB3 SER 70 -12.157 18.243 -10.052 501 HG SER 70 HG SER 70 -11.410 18.178 -12.217 502 H GLU 71 H GLU 71 -14.106 18.348 -13.046 503 HA GLU 71 HA GLU 71 -15.406 20.753 -13.837 504 1HB GLU 71 HB2 GLU 71 -14.803 18.327 -15.572 505 2HB GLU 71 HB3 GLU 71 -15.110 19.972 -16.143 506 1HG GLU 71 HG2 GLU 71 -12.720 18.887 -14.648 507 2HG GLU 71 HG3 GLU 71 -12.773 19.563 -16.258 508 H LEU 72 H LEU 72 -17.454 20.724 -12.786 509 HA LEU 72 HA LEU 72 -19.565 18.963 -13.878 510 1HB LEU 72 HB2 LEU 72 -19.641 19.759 -11.523 511 2HB LEU 72 HB3 LEU 72 -19.800 21.426 -12.120 512 HG LEU 72 HG LEU 72 -21.942 20.748 -13.238 513 1HD1 LEU 72 1HD1 LEU 72 -21.681 18.365 -13.471 514 2HD1 LEU 72 2HD1 LEU 72 -21.454 18.153 -11.705 515 3HD1 LEU 72 3HD1 LEU 72 -23.032 18.633 -12.352 516 1HD2 LEU 72 1HD2 LEU 72 -23.290 20.641 -11.171 517 2HD2 LEU 72 2HD2 LEU 72 -21.836 20.292 -10.229 518 3HD2 LEU 72 3HD2 LEU 72 -22.016 21.838 -11.053 519 H ILE 73 H ILE 73 -20.289 19.241 -15.777 520 HA ILE 73 HA ILE 73 -20.372 21.919 -17.081 521 HB ILE 73 HB ILE 73 -20.925 19.173 -18.245 522 1HG1 ILE 73 2HG1 ILE 73 -18.342 20.600 -18.870 523 2HG1 ILE 73 3HG1 ILE 73 -18.412 19.710 -17.363 524 1HG2 ILE 73 1HG2 ILE 73 -20.384 21.904 -19.498 525 2HG2 ILE 73 2HG2 ILE 73 -20.559 20.385 -20.409 526 3HG2 ILE 73 3HG2 ILE 73 -21.926 21.043 -19.473 527 1HD1 ILE 73 1HD1 ILE 73 -19.090 18.486 -20.045 528 2HD1 ILE 73 2HD1 ILE 73 -17.533 18.314 -19.205 529 3HD1 ILE 73 3HD1 ILE 73 -19.008 17.656 -18.465 530 H ILE 74 H ILE 74 -22.232 22.961 -17.123 531 HA ILE 74 HA ILE 74 -24.838 21.558 -16.602 532 HB ILE 74 HB ILE 74 -24.053 24.433 -16.039 533 1HG1 ILE 74 2HG1 ILE 74 -24.370 22.110 -14.052 534 2HG1 ILE 74 3HG1 ILE 74 -22.878 22.964 -14.442 535 1HG2 ILE 74 1HG2 ILE 74 -26.546 22.883 -15.174 536 2HG2 ILE 74 2HG2 ILE 74 -26.228 24.633 -14.948 537 3HG2 ILE 74 3HG2 ILE 74 -26.497 24.013 -16.555 538 1HD1 ILE 74 1HD1 ILE 74 -23.609 23.796 -12.350 539 2HD1 ILE 74 2HD1 ILE 74 -23.893 25.078 -13.526 540 3HD1 ILE 74 3HD1 ILE 74 -25.256 24.086 -12.941 541 H LYS 75 H LYS 75 -26.183 21.545 -18.286 542 HA LYS 75 HA LYS 75 -25.857 23.621 -20.452 543 1HB LYS 75 HB2 LYS 75 -27.065 22.127 -21.912 544 2HB LYS 75 HB3 LYS 75 -25.742 21.234 -21.152 545 1HG LYS 75 HG2 LYS 75 -27.425 20.269 -19.503 546 2HG LYS 75 HG3 LYS 75 -28.710 21.086 -20.440 547 1HD LYS 75 HD2 LYS 75 -27.988 19.868 -22.461 548 2HD LYS 75 HD3 LYS 75 -26.785 18.992 -21.482 549 1HE LYS 75 HE2 LYS 75 -28.561 18.053 -20.081 550 2HE LYS 75 HE3 LYS 75 -29.786 18.974 -20.980 551 1HZ LYS 75 HZ1 LYS 75 -28.056 16.882 -22.175 552 2HZ LYS 75 HZ2 LYS 75 -29.627 16.664 -21.797 553 3HZ LYS 75 HZ3 LYS 75 -29.211 17.709 -22.975 554 H LYS 76 H LYS 76 -27.684 24.614 -21.250 555 HA LYS 76 HA LYS 76 -29.750 25.644 -21.306 556 1HB LYS 76 HB2 LYS 76 -30.473 23.230 -21.329 557 2HB LYS 76 HB3 LYS 76 -30.753 23.340 -19.591 558 1HG LYS 76 HG2 LYS 76 -32.809 23.508 -20.684 559 2HG LYS 76 HG3 LYS 76 -32.483 25.142 -20.082 560 1HD LYS 76 HD2 LYS 76 -31.801 25.870 -22.352 561 2HD LYS 76 HD3 LYS 76 -32.038 24.220 -22.968 562 1HE LYS 76 HE2 LYS 76 -34.425 24.375 -22.307 563 2HE LYS 76 HE3 LYS 76 -34.175 26.025 -21.740 564 1HZ LYS 76 HZ1 LYS 76 -33.518 26.573 -24.068 565 2HZ LYS 76 HZ2 LYS 76 -33.818 25.042 -24.548 566 3HZ LYS 76 HZ3 LYS 76 -35.053 25.984 -24.029 567 H VAL 77 H VAL 77 -28.081 26.876 -19.767 568 HA VAL 77 HA VAL 77 -28.665 27.020 -16.972 569 HB VAL 77 HB VAL 77 -27.048 28.865 -18.753 570 1HG1 VAL 77 1HG1 VAL 77 -25.944 29.582 -16.642 571 2HG1 VAL 77 2HG1 VAL 77 -27.627 30.101 -16.739 572 3HG1 VAL 77 3HG1 VAL 77 -27.188 28.717 -15.703 573 1HG2 VAL 77 1HG2 VAL 77 -26.310 26.513 -16.938 574 2HG2 VAL 77 2HG2 VAL 77 -26.142 26.588 -18.716 575 3HG2 VAL 77 3HG2 VAL 77 -25.128 27.600 -17.685 576 H ASP 78 H ASP 78 -29.750 28.406 -15.733 577 HA ASP 78 HA ASP 78 -31.124 30.751 -16.826 578 1HB ASP 78 HB2 ASP 78 -32.524 28.451 -16.993 579 2HB ASP 78 HB3 ASP 78 -32.908 28.877 -15.322 580 H LYS 79 H LYS 79 -32.622 31.664 -14.893 581 HA LYS 79 HA LYS 79 -30.788 32.646 -12.912 582 1HB LYS 79 HB2 LYS 79 -33.819 32.791 -13.038 583 2HB LYS 79 HB3 LYS 79 -32.810 33.724 -11.913 584 1HG LYS 79 HG2 LYS 79 -31.674 34.831 -13.822 585 2HG LYS 79 HG3 LYS 79 -32.653 33.890 -14.951 586 1HD LYS 79 HD2 LYS 79 -33.565 36.061 -14.816 587 2HD LYS 79 HD3 LYS 79 -34.716 34.923 -14.107 588 1HE LYS 79 HE2 LYS 79 -33.942 35.554 -11.822 589 2HE LYS 79 HE3 LYS 79 -32.795 36.717 -12.516 590 1HZ LYS 79 HZ1 LYS 79 -34.870 37.763 -11.824 591 2HZ LYS 79 HZ2 LYS 79 -34.714 37.914 -13.440 592 3HZ LYS 79 HZ3 LYS 79 -35.775 36.837 -12.821 593 H SER 80 H SER 80 -32.699 29.768 -12.813 594 HA SER 80 HA SER 80 -32.634 29.393 -9.930 595 1HB SER 80 HB2 SER 80 -33.417 27.093 -10.591 596 2HB SER 80 HB3 SER 80 -34.411 28.437 -11.180 597 HG SER 80 HG SER 80 -33.969 26.792 -12.786 598 H ASP 81 H ASP 81 -30.195 29.149 -12.318 599 HA ASP 81 HA ASP 81 -28.641 27.139 -10.805 600 1HB ASP 81 HB2 ASP 81 -27.958 28.681 -13.323 601 2HB ASP 81 HB3 ASP 81 -26.999 27.386 -12.583 602 H GLU 82 H GLU 82 -29.125 30.412 -10.300 603 HA GLU 82 HA GLU 82 -26.512 31.265 -9.475 604 1HB GLU 82 HB2 GLU 82 -28.391 32.772 -9.785 605 2HB GLU 82 HB3 GLU 82 -29.286 32.030 -8.444 606 1HG GLU 82 HG2 GLU 82 -27.801 32.886 -6.797 607 2HG GLU 82 HG3 GLU 82 -26.529 33.177 -7.955 608 H ALA 83 H ALA 83 -25.257 30.573 -7.786 609 HA ALA 83 HA ALA 83 -26.415 29.111 -5.500 610 1HB ALA 83 HB1 ALA 83 -26.386 27.450 -7.338 611 2HB ALA 83 HB2 ALA 83 -24.676 27.841 -7.643 612 3HB ALA 83 HB3 ALA 83 -25.162 27.022 -6.130 613 H GLU 84 H GLU 84 -25.044 28.662 -3.838 614 HA GLU 84 HA GLU 84 -22.249 29.716 -3.927 615 1HB GLU 84 HB2 GLU 84 -23.689 30.869 -2.257 616 2HB GLU 84 HB3 GLU 84 -23.967 29.282 -1.460 617 1HG GLU 84 HG2 GLU 84 -21.584 29.039 -1.006 618 2HG GLU 84 HG3 GLU 84 -21.199 30.491 -1.914 619 H TYR 85 H TYR 85 -21.213 27.991 -4.710 620 HA TYR 85 HA TYR 85 -22.092 25.274 -4.260 621 1HB TYR 85 HB2 TYR 85 -19.991 26.564 -5.951 622 2HB TYR 85 HB3 TYR 85 -20.214 24.826 -5.905 623 HD1 TYR 85 HD1 TYR 85 -20.821 27.487 -7.945 624 HD2 TYR 85 HD2 TYR 85 -22.919 24.197 -6.109 625 HE1 TYR 85 HE1 TYR 85 -22.427 27.417 -9.846 626 HE2 TYR 85 HE2 TYR 85 -24.484 24.103 -8.094 627 HH TYR 85 HH TYR 85 -24.270 26.378 -10.769 628 H ILE 86 H ILE 86 -21.671 25.268 -1.914 629 HA ILE 86 HA ILE 86 -18.881 25.088 -0.996 630 HB ILE 86 HB ILE 86 -21.420 24.158 0.349 631 1HG1 ILE 86 2HG1 ILE 86 -19.914 26.796 0.526 632 2HG1 ILE 86 3HG1 ILE 86 -21.543 26.563 -0.109 633 1HG2 ILE 86 1HG2 ILE 86 -18.647 24.683 1.495 634 2HG2 ILE 86 2HG2 ILE 86 -20.078 24.142 2.422 635 3HG2 ILE 86 3HG2 ILE 86 -19.337 23.078 1.243 636 1HD1 ILE 86 1HD1 ILE 86 -22.259 25.864 2.208 637 2HD1 ILE 86 2HD1 ILE 86 -20.639 26.342 2.788 638 3HD1 ILE 86 3HD1 ILE 86 -21.689 27.543 2.092 639 H CYS 87 H CYS 87 -17.585 23.419 -1.122 640 HA CYS 87 HA CYS 87 -18.633 20.749 -1.946 641 1HB CYS 87 HB2 CYS 87 -16.304 20.564 -3.107 642 2HB CYS 87 HB3 CYS 87 -17.554 21.499 -3.902 643 H ILE 88 H ILE 88 -17.821 18.949 -1.184 644 HA ILE 88 HA ILE 88 -16.037 19.037 1.201 645 HB ILE 88 HB ILE 88 -18.742 17.641 1.046 646 1HG1 ILE 88 2HG1 ILE 88 -19.141 19.340 3.075 647 2HG1 ILE 88 3HG1 ILE 88 -18.067 20.361 2.144 648 1HG2 ILE 88 1HG2 ILE 88 -16.758 18.052 3.367 649 2HG2 ILE 88 2HG2 ILE 88 -18.375 17.306 3.506 650 3HG2 ILE 88 3HG2 ILE 88 -17.129 16.507 2.555 651 1HD1 ILE 88 1HD1 ILE 88 -20.438 20.782 1.628 652 2HD1 ILE 88 2HD1 ILE 88 -19.653 20.153 0.197 653 3HD1 ILE 88 3HD1 ILE 88 -20.688 19.084 1.177 654 H ALA 89 H ALA 89 -14.813 17.167 1.519 655 HA ALA 89 HA ALA 89 -15.444 14.770 -0.125 656 1HB ALA 89 HB1 ALA 89 -13.857 16.033 -1.451 657 2HB ALA 89 HB2 ALA 89 -12.723 16.138 -0.063 658 3HB ALA 89 HB3 ALA 89 -13.094 14.559 -0.807 659 H GLU 90 H GLU 90 -14.717 12.843 0.751 660 HA GLU 90 HA GLU 90 -13.476 12.807 3.470 661 1HB GLU 90 HB2 GLU 90 -15.962 13.033 3.698 662 2HB GLU 90 HB3 GLU 90 -16.147 11.539 2.755 663 1HG GLU 90 HG2 GLU 90 -14.944 10.278 4.515 664 2HG GLU 90 HG3 GLU 90 -14.651 11.783 5.398 665 H ASN 91 H ASN 91 -12.318 10.956 3.888 666 HA ASN 91 HA ASN 91 -12.872 8.521 2.357 667 1HB ASN 91 HB2 ASN 91 -10.823 8.133 1.374 668 2HB ASN 91 HB3 ASN 91 -11.180 9.794 0.992 669 1HD2 ASN 91 1HD2 ASN 91 -7.603 9.682 1.802 670 2HD2 ASN 91 2HD2 ASN 91 -8.627 8.959 0.588 671 H LYS 92 H LYS 92 -10.900 6.851 3.252 672 HA LYS 92 HA LYS 92 -11.580 6.354 5.990 673 1HB LYS 92 HB2 LYS 92 -9.754 4.623 5.844 674 2HB LYS 92 HB3 LYS 92 -11.086 4.461 4.701 675 1HG LYS 92 HG2 LYS 92 -8.552 5.885 3.823 676 2HG LYS 92 HG3 LYS 92 -8.496 4.147 4.045 677 1HD LYS 92 HD2 LYS 92 -10.519 5.505 2.195 678 2HD LYS 92 HD3 LYS 92 -8.973 4.867 1.667 679 1HE LYS 92 HE2 LYS 92 -9.595 2.594 2.484 680 2HE LYS 92 HE3 LYS 92 -11.125 3.205 3.052 681 1HZ LYS 92 HZ1 LYS 92 -11.357 2.156 0.883 682 2HZ LYS 92 HZ2 LYS 92 -11.686 3.748 0.700 683 3HZ LYS 92 HZ3 LYS 92 -10.239 3.138 0.208 684 H ALA 93 H ALA 93 -9.051 8.265 4.659 685 HA ALA 93 HA ALA 93 -7.405 8.289 7.106 686 1HB ALA 93 HB1 ALA 93 -7.096 9.690 4.454 687 2HB ALA 93 HB2 ALA 93 -5.878 9.631 5.746 688 3HB ALA 93 HB3 ALA 93 -6.397 8.141 4.878 689 H GLY 94 H GLY 94 -9.790 10.440 5.563 690 1HA GLY 94 HA2 GLY 94 -10.175 12.029 7.865 691 2HA GLY 94 HA3 GLY 94 -8.999 12.859 6.842 692 H GLU 95 H GLU 95 -10.471 14.606 6.717 693 HA GLU 95 HA GLU 95 -12.586 14.430 4.638 694 1HB GLU 95 HB2 GLU 95 -13.593 13.923 6.894 695 2HB GLU 95 HB3 GLU 95 -13.073 15.492 7.438 696 1HG GLU 95 HG2 GLU 95 -14.470 16.552 5.621 697 2HG GLU 95 HG3 GLU 95 -15.025 14.937 5.189 698 H GLN 96 H GLN 96 -12.976 16.458 3.634 699 HA GLN 96 HA GLN 96 -11.512 18.882 4.540 700 1HB GLN 96 HB2 GLN 96 -10.149 17.134 3.020 701 2HB GLN 96 HB3 GLN 96 -11.037 17.884 1.711 702 1HG GLN 96 HG2 GLN 96 -8.971 18.994 1.858 703 2HG GLN 96 HG3 GLN 96 -10.129 20.138 2.551 704 1HE2 GLN 96 1HE2 GLN 96 -7.360 18.181 4.974 705 2HE2 GLN 96 2HE2 GLN 96 -7.835 17.517 3.429 706 H ASP 97 H ASP 97 -11.982 20.802 3.053 707 HA ASP 97 HA ASP 97 -14.377 20.655 1.360 708 1HB ASP 97 HB2 ASP 97 -15.782 22.051 2.701 709 2HB ASP 97 HB3 ASP 97 -15.306 20.668 3.676 710 H ALA 98 H ALA 98 -14.905 22.567 0.263 711 HA ALA 98 HA ALA 98 -13.345 25.037 0.520 712 1HB ALA 98 HB1 ALA 98 -11.892 23.691 -0.938 713 2HB ALA 98 HB2 ALA 98 -13.246 23.336 -2.033 714 3HB ALA 98 HB3 ALA 98 -12.636 25.006 -1.871 715 H THR 99 H THR 99 -14.269 26.508 -1.587 716 HA THR 99 HA THR 99 -17.181 26.053 -1.993 717 HB THR 99 HB THR 99 -16.022 28.404 -0.514 718 HG1 THR 99 HG1 THR 99 -16.843 26.156 0.315 719 1HG2 THR 99 1HG2 THR 99 -18.425 29.182 -0.301 720 2HG2 THR 99 2HG2 THR 99 -17.766 29.317 -1.937 721 3HG2 THR 99 3HG2 THR 99 -18.878 27.988 -1.524 722 H ILE 100 H ILE 100 -17.858 26.765 -3.893 723 HA ILE 100 HA ILE 100 -16.381 28.875 -5.428 724 HB ILE 100 HB ILE 100 -18.298 27.376 -7.042 725 1HG1 ILE 100 2HG1 ILE 100 -15.891 25.686 -6.357 726 2HG1 ILE 100 3HG1 ILE 100 -17.485 25.407 -5.655 727 1HG2 ILE 100 1HG2 ILE 100 -16.543 29.013 -7.798 728 2HG2 ILE 100 2HG2 ILE 100 -15.324 27.783 -7.443 729 3HG2 ILE 100 3HG2 ILE 100 -16.592 27.497 -8.682 730 1HD1 ILE 100 1HD1 ILE 100 -16.838 25.277 -8.596 731 2HD1 ILE 100 2HD1 ILE 100 -17.270 23.934 -7.501 732 3HD1 ILE 100 3HD1 ILE 100 -18.493 25.159 -7.884 733 H HIS 101 H HIS 101 -18.151 29.913 -7.079 734 HA HIS 101 HA HIS 101 -20.840 30.183 -5.906 735 1HB HIS 101 HB2 HIS 101 -19.318 31.799 -4.718 736 2HB HIS 101 HB3 HIS 101 -18.972 32.558 -6.259 737 HD1 HIS 101 HD1 HIS 101 -22.651 31.709 -5.369 738 HD2 HIS 101 HD2 HIS 101 -19.849 34.881 -5.423 739 HE1 HIS 101 HE1 HIS 101 -23.952 33.837 -4.873 740 H LEU 102 H LEU 102 -22.322 31.164 -7.408 741 HA LEU 102 HA LEU 102 -21.440 31.903 -10.119 742 1HB LEU 102 HB2 LEU 102 -21.805 29.584 -10.345 743 2HB LEU 102 HB3 LEU 102 -23.279 29.632 -9.373 744 HG LEU 102 HG LEU 102 -24.517 30.746 -11.116 745 1HD1 LEU 102 1HD1 LEU 102 -23.571 31.166 -13.357 746 2HD1 LEU 102 2HD1 LEU 102 -22.838 32.202 -12.129 747 3HD1 LEU 102 3HD1 LEU 102 -21.962 30.779 -12.749 748 1HD2 LEU 102 1HD2 LEU 102 -24.482 28.995 -12.823 749 2HD2 LEU 102 2HD2 LEU 102 -22.829 28.506 -12.346 750 3HD2 LEU 102 3HD2 LEU 102 -24.212 28.289 -11.235 751 H LYS 103 H LYS 103 -22.286 33.874 -10.432 752 HA LYS 103 HA LYS 103 -24.976 34.551 -9.322 753 1HB LYS 103 HB2 LYS 103 -22.655 36.347 -10.120 754 2HB LYS 103 HB3 LYS 103 -24.241 36.920 -9.642 755 1HG LYS 103 HG2 LYS 103 -23.914 35.825 -7.398 756 2HG LYS 103 HG3 LYS 103 -22.316 35.300 -7.934 757 1HD LYS 103 HD2 LYS 103 -22.061 37.231 -6.562 758 2HD LYS 103 HD3 LYS 103 -21.589 37.628 -8.198 759 1HE LYS 103 HE2 LYS 103 -22.809 39.467 -7.158 760 2HE LYS 103 HE3 LYS 103 -23.726 38.808 -8.531 761 1HZ LYS 103 HZ1 LYS 103 -24.275 38.174 -5.675 762 2HZ LYS 103 HZ2 LYS 103 -25.105 39.245 -6.551 763 3HZ LYS 103 HZ3 LYS 103 -25.154 37.667 -6.979 764 H VAL 104 H VAL 104 -26.623 34.903 -10.688 765 HA VAL 104 HA VAL 104 -26.016 34.712 -13.625 766 HB VAL 104 HB VAL 104 -28.378 33.623 -12.093 767 1HG1 VAL 104 1HG1 VAL 104 -27.634 33.396 -15.041 768 2HG1 VAL 104 2HG1 VAL 104 -28.938 32.510 -14.236 769 3HG1 VAL 104 3HG1 VAL 104 -29.035 34.264 -14.370 770 1HG2 VAL 104 1HG2 VAL 104 -26.061 32.183 -13.460 771 2HG2 VAL 104 2HG2 VAL 104 -26.311 32.315 -11.711 772 3HG2 VAL 104 3HG2 VAL 104 -27.449 31.405 -12.682 773 H PHE 105 H PHE 105 -26.748 36.226 -14.948 774 HA PHE 105 HA PHE 105 -28.899 38.089 -14.126 775 1HB PHE 105 HB2 PHE 105 -27.591 39.689 -15.662 776 2HB PHE 105 HB3 PHE 105 -27.029 39.421 -14.028 777 HD1 PHE 105 HD1 PHE 105 -24.748 38.811 -13.650 778 HD2 PHE 105 HD2 PHE 105 -26.411 38.434 -17.614 779 HE1 PHE 105 HE1 PHE 105 -22.488 38.400 -14.575 780 HE2 PHE 105 HE2 PHE 105 -24.158 37.999 -18.538 781 HZ PHE 105 HZ PHE 105 -22.173 38.003 -17.030 782 H ALA 106 H ALA 106 -29.724 39.208 -16.310 783 HA ALA 106 HA ALA 106 -30.072 37.149 -18.430 784 1HB ALA 106 HB1 ALA 106 -31.767 36.745 -16.580 785 2HB ALA 106 HB2 ALA 106 -32.402 38.383 -16.864 786 3HB ALA 106 HB3 ALA 106 -32.511 37.139 -18.128 787 H LYS 107 H LYS 107 -28.715 39.548 -18.533 788 HA LYS 107 HA LYS 107 -29.679 40.787 -20.926 789 1HB LYS 107 HB2 LYS 107 -29.944 43.106 -20.085 790 2HB LYS 107 HB3 LYS 107 -31.219 42.010 -19.543 791 1HG LYS 107 HG2 LYS 107 -30.153 41.800 -17.320 792 2HG LYS 107 HG3 LYS 107 -28.770 42.755 -17.856 793 1HD LYS 107 HD2 LYS 107 -30.284 44.153 -16.504 794 2HD LYS 107 HD3 LYS 107 -30.131 44.743 -18.156 795 1HE LYS 107 HE2 LYS 107 -32.423 44.945 -17.458 796 2HE LYS 107 HE3 LYS 107 -32.338 43.698 -18.713 797 1HZ LYS 107 HZ1 LYS 107 -33.734 42.948 -16.879 798 2HZ LYS 107 HZ2 LYS 107 -32.419 42.001 -16.943 799 3HZ LYS 107 HZ3 LYS 107 -32.524 43.169 -15.795 Start of MODEL 9 1 1H GLY 1 H1 GLY 1 -6.303 1.788 11.557 2 2H GLY 1 H2 GLY 1 -6.910 3.135 10.887 3 3H GLY 1 H3 GLY 1 -7.708 1.709 10.736 4 1HA GLY 1 HA2 GLY 1 -5.997 0.754 9.382 5 2HA GLY 1 HA3 GLY 1 -6.564 2.284 8.672 6 H LYS 2 H LYS 2 -4.427 2.006 7.596 7 HA LYS 2 HA LYS 2 -2.308 3.624 8.747 8 1HB LYS 2 HB2 LYS 2 -0.588 1.877 8.732 9 2HB LYS 2 HB3 LYS 2 -1.811 1.548 9.965 10 1HG LYS 2 HG2 LYS 2 -2.851 -0.181 8.620 11 2HG LYS 2 HG3 LYS 2 -1.842 0.219 7.204 12 1HD LYS 2 HD2 LYS 2 0.161 -0.478 8.429 13 2HD LYS 2 HD3 LYS 2 -0.785 -0.817 9.886 14 1HE LYS 2 HE2 LYS 2 -1.904 -2.654 8.873 15 2HE LYS 2 HE3 LYS 2 -1.419 -2.158 7.237 16 1HZ LYS 2 HZ1 LYS 2 -0.096 -4.044 8.080 17 2HZ LYS 2 HZ2 LYS 2 0.819 -2.749 7.714 18 3HZ LYS 2 HZ3 LYS 2 0.507 -3.093 9.303 19 H ASP 3 H ASP 3 -0.522 3.953 7.247 20 HA ASP 3 HA ASP 3 -1.169 3.405 4.403 21 1HB ASP 3 HB2 ASP 3 0.424 5.126 3.891 22 2HB ASP 3 HB3 ASP 3 -0.655 5.733 5.146 23 H ILE 4 H ILE 4 0.640 1.940 6.848 24 HA ILE 4 HA ILE 4 2.868 1.037 5.164 25 HB ILE 4 HB ILE 4 2.312 0.160 8.010 26 1HG1 ILE 4 2HG1 ILE 4 3.914 2.572 7.027 27 2HG1 ILE 4 3HG1 ILE 4 2.426 2.633 7.951 28 1HG2 ILE 4 1HG2 ILE 4 4.712 -0.376 7.992 29 2HG2 ILE 4 2HG2 ILE 4 3.934 -1.211 6.657 30 3HG2 ILE 4 3HG2 ILE 4 4.857 0.254 6.340 31 1HD1 ILE 4 1HD1 ILE 4 4.248 3.078 9.430 32 2HD1 ILE 4 2HD1 ILE 4 3.563 1.492 9.862 33 3HD1 ILE 4 3HD1 ILE 4 5.082 1.587 8.976 34 H GLN 5 H GLN 5 1.242 0.172 3.663 35 HA GLN 5 HA GLN 5 1.026 -2.678 3.604 36 1HB GLN 5 HB2 GLN 5 -1.437 -2.874 3.612 37 2HB GLN 5 HB3 GLN 5 -0.785 -2.379 5.173 38 1HG GLN 5 HG2 GLN 5 -1.465 -0.059 4.790 39 2HG GLN 5 HG3 GLN 5 -1.985 -0.438 3.158 40 1HE2 GLN 5 1HE2 GLN 5 -4.925 -0.409 5.568 41 2HE2 GLN 5 2HE2 GLN 5 -3.600 0.730 5.312 42 H VAL 6 H VAL 6 -0.705 -3.145 1.584 43 HA VAL 6 HA VAL 6 0.407 -1.586 -0.633 44 HB VAL 6 HB VAL 6 -1.516 -3.898 -0.921 45 1HG1 VAL 6 1HG1 VAL 6 -0.860 -2.754 -3.013 46 2HG1 VAL 6 2HG1 VAL 6 0.850 -2.983 -2.609 47 3HG1 VAL 6 3HG1 VAL 6 -0.182 -4.376 -2.954 48 1HG2 VAL 6 1HG2 VAL 6 0.221 -4.777 0.585 49 2HG2 VAL 6 2HG2 VAL 6 0.455 -5.438 -1.033 50 3HG2 VAL 6 3HG2 VAL 6 1.503 -4.110 -0.474 51 H ILE 7 H ILE 7 -1.438 -0.360 1.128 52 HA ILE 7 HA ILE 7 -3.229 1.019 -0.774 53 HB ILE 7 HB ILE 7 -4.087 -0.068 1.932 54 1HG1 ILE 7 2HG1 ILE 7 -4.225 -1.816 0.197 55 2HG1 ILE 7 3HG1 ILE 7 -5.769 -1.377 0.858 56 1HG2 ILE 7 1HG2 ILE 7 -5.538 1.746 -0.038 57 2HG2 ILE 7 2HG2 ILE 7 -6.342 0.936 1.320 58 3HG2 ILE 7 3HG2 ILE 7 -5.084 2.156 1.605 59 1HD1 ILE 7 1HD1 ILE 7 -5.838 -1.750 -1.604 60 2HD1 ILE 7 2HD1 ILE 7 -6.322 -0.088 -1.183 61 3HD1 ILE 7 3HD1 ILE 7 -4.703 -0.422 -1.838 62 H VAL 8 H VAL 8 -1.991 2.861 -0.733 63 HA VAL 8 HA VAL 8 -0.735 3.699 1.791 64 HB VAL 8 HB VAL 8 -0.373 4.934 -0.958 65 1HG1 VAL 8 1HG1 VAL 8 0.332 6.360 0.965 66 2HG1 VAL 8 2HG1 VAL 8 1.313 5.008 1.585 67 3HG1 VAL 8 3HG1 VAL 8 1.712 5.782 0.014 68 1HG2 VAL 8 1HG2 VAL 8 1.206 2.728 0.452 69 2HG2 VAL 8 2HG2 VAL 8 0.287 2.585 -1.047 70 3HG2 VAL 8 3HG2 VAL 8 1.724 3.589 -1.015 71 H ASN 9 H ASN 9 -2.719 4.168 2.854 72 HA ASN 9 HA ASN 9 -4.672 5.976 2.051 73 1HB ASN 9 HB2 ASN 9 -3.736 5.091 4.801 74 2HB ASN 9 HB3 ASN 9 -5.120 6.121 4.586 75 1HD2 ASN 9 1HD2 ASN 9 -5.541 2.218 3.882 76 2HD2 ASN 9 2HD2 ASN 9 -4.134 2.899 4.681 77 H VAL 10 H VAL 10 -4.423 7.884 1.364 78 HA VAL 10 HA VAL 10 -3.038 10.036 2.889 79 HB VAL 10 HB VAL 10 -3.578 9.615 -0.059 80 1HG1 VAL 10 1HG1 VAL 10 -4.119 11.941 0.196 81 2HG1 VAL 10 2HG1 VAL 10 -2.715 12.211 1.255 82 3HG1 VAL 10 3HG1 VAL 10 -2.498 11.833 -0.456 83 1HG2 VAL 10 1HG2 VAL 10 -1.513 8.614 0.866 84 2HG2 VAL 10 2HG2 VAL 10 -1.160 9.922 -0.281 85 3HG2 VAL 10 3HG2 VAL 10 -1.015 10.209 1.473 86 HA PRO 11 HA PRO 11 -7.229 11.576 3.701 87 1HB PRO 11 HB2 PRO 11 -5.620 14.159 3.845 88 2HB PRO 11 HB3 PRO 11 -6.950 13.613 4.919 89 1HG PRO 11 HG2 PRO 11 -4.416 13.315 5.756 90 2HG PRO 11 HG3 PRO 11 -5.548 11.925 5.923 91 1HD PRO 11 HD2 PRO 11 -3.498 12.401 3.750 92 2HD PRO 11 HD3 PRO 11 -3.857 10.912 4.687 93 HA PRO 12 HA PRO 12 -8.374 13.444 -0.211 94 1HB PRO 12 HB2 PRO 12 -10.871 14.313 0.221 95 2HB PRO 12 HB3 PRO 12 -10.507 12.584 0.421 96 1HG PRO 12 HG2 PRO 12 -10.705 14.693 2.593 97 2HG PRO 12 HG3 PRO 12 -11.401 13.047 2.536 98 1HD PRO 12 HD2 PRO 12 -9.008 13.659 3.767 99 2HD PRO 12 HD3 PRO 12 -9.442 12.047 3.156 100 H SER 13 H SER 13 -8.329 15.463 -1.230 101 HA SER 13 HA SER 13 -8.075 17.945 0.443 102 1HB SER 13 HB2 SER 13 -6.050 16.865 -1.570 103 2HB SER 13 HB3 SER 13 -6.046 18.483 -0.880 104 HG SER 13 HG SER 13 -4.662 16.995 0.212 105 H VAL 14 H VAL 14 -10.177 18.450 -0.366 106 HA VAL 14 HA VAL 14 -10.303 19.189 -3.216 107 HB VAL 14 HB VAL 14 -12.284 18.242 -2.214 108 1HG1 VAL 14 1HG1 VAL 14 -12.514 20.788 -0.578 109 2HG1 VAL 14 2HG1 VAL 14 -13.715 19.519 -0.700 110 3HG1 VAL 14 3HG1 VAL 14 -12.160 19.168 0.079 111 1HG2 VAL 14 1HG2 VAL 14 -12.849 21.130 -2.963 112 2HG2 VAL 14 2HG2 VAL 14 -12.393 19.869 -4.125 113 3HG2 VAL 14 3HG2 VAL 14 -13.894 19.697 -3.194 114 H ARG 15 H ARG 15 -10.390 21.228 -4.014 115 HA ARG 15 HA ARG 15 -10.208 23.595 -2.274 116 1HB ARG 15 HB2 ARG 15 -8.258 24.469 -3.369 117 2HB ARG 15 HB3 ARG 15 -7.883 22.884 -2.701 118 1HG ARG 15 HG2 ARG 15 -8.626 22.219 -5.280 119 2HG ARG 15 HG3 ARG 15 -7.976 23.836 -5.510 120 1HD ARG 15 HD2 ARG 15 -6.091 22.471 -5.840 121 2HD ARG 15 HD3 ARG 15 -5.917 22.982 -4.186 122 HE ARG 15 HE ARG 15 -6.634 20.782 -3.437 123 1HH1 ARG 15 1HH1 ARG 15 -6.133 17.962 -5.334 124 2HH1 ARG 15 2HH1 ARG 15 -6.609 18.561 -3.761 125 1HH2 ARG 15 1HH2 ARG 15 -6.513 20.782 -6.959 126 2HH2 ARG 15 2HH2 ARG 15 -6.074 19.081 -6.959 127 H ALA 16 H ALA 16 -10.496 25.651 -3.705 128 HA ALA 16 HA ALA 16 -12.632 25.137 -5.722 129 1HB ALA 16 HB1 ALA 16 -12.914 27.589 -5.603 130 2HB ALA 16 HB2 ALA 16 -13.030 26.858 -3.987 131 3HB ALA 16 HB3 ALA 16 -11.558 27.708 -4.491 132 H ARG 17 H ARG 17 -12.328 25.275 -7.871 133 HA ARG 17 HA ARG 17 -9.689 25.769 -9.017 134 1HB ARG 17 HB2 ARG 17 -11.331 24.160 -9.954 135 2HB ARG 17 HB3 ARG 17 -12.351 25.512 -10.456 136 1HG ARG 17 HG2 ARG 17 -10.666 26.366 -11.945 137 2HG ARG 17 HG3 ARG 17 -9.479 25.194 -11.389 138 1HD ARG 17 HD2 ARG 17 -12.099 24.454 -12.764 139 2HD ARG 17 HD3 ARG 17 -10.565 24.687 -13.609 140 HE ARG 17 HE ARG 17 -11.390 22.365 -12.073 141 1HH1 ARG 17 1HH1 ARG 17 -10.083 20.574 -12.019 142 2HH1 ARG 17 2HH1 ARG 17 -8.422 20.718 -12.487 143 1HH2 ARG 17 1HH2 ARG 17 -8.510 24.063 -13.164 144 2HH2 ARG 17 2HH2 ARG 17 -7.558 22.604 -13.116 145 H GLN 18 H GLN 18 -12.471 27.758 -8.457 146 HA GLN 18 HA GLN 18 -11.028 30.182 -8.431 147 1HB GLN 18 HB2 GLN 18 -12.138 31.446 -10.192 148 2HB GLN 18 HB3 GLN 18 -11.106 30.185 -10.815 149 1HG GLN 18 HG2 GLN 18 -13.057 28.745 -11.322 150 2HG GLN 18 HG3 GLN 18 -14.138 30.014 -10.695 151 1HE2 GLN 18 1HE2 GLN 18 -13.674 32.171 -13.520 152 2HE2 GLN 18 2HE2 GLN 18 -14.230 32.116 -11.862 153 H SER 19 H SER 19 -12.360 31.977 -7.579 154 HA SER 19 HA SER 19 -14.308 30.802 -5.720 155 1HB SER 19 HB2 SER 19 -14.113 33.007 -4.608 156 2HB SER 19 HB3 SER 19 -12.547 32.231 -4.878 157 HG SER 19 HG SER 19 -12.505 34.429 -5.474 158 H THR 20 H THR 20 -14.575 32.753 -8.594 159 HA THR 20 HA THR 20 -17.537 32.947 -8.201 160 HB THR 20 HB THR 20 -15.809 35.182 -9.328 161 HG1 THR 20 HG1 THR 20 -15.539 35.034 -7.096 162 1HG2 THR 20 1HG2 THR 20 -18.069 35.230 -10.231 163 2HG2 THR 20 2HG2 THR 20 -18.779 34.968 -8.610 164 3HG2 THR 20 3HG2 THR 20 -17.955 36.492 -8.999 165 H MET 21 H MET 21 -18.651 32.322 -9.852 166 HA MET 21 HA MET 21 -17.531 32.139 -12.621 167 1HB MET 21 HB2 MET 21 -19.609 30.468 -11.148 168 2HB MET 21 HB3 MET 21 -19.355 30.380 -12.889 169 1HG MET 21 HG2 MET 21 -17.337 29.711 -10.702 170 2HG MET 21 HG3 MET 21 -18.239 28.582 -11.676 171 1HE MET 21 HE1 MET 21 -18.031 28.540 -14.444 172 2HE MET 21 HE2 MET 21 -17.804 30.275 -14.719 173 3HE MET 21 HE3 MET 21 -16.590 29.142 -15.283 174 H ASN 22 H ASN 22 -19.196 32.453 -14.294 175 HA ASN 22 HA ASN 22 -21.518 34.213 -13.629 176 1HB ASN 22 HB2 ASN 22 -19.178 34.860 -15.475 177 2HB ASN 22 HB3 ASN 22 -20.690 35.743 -15.465 178 1HD2 ASN 22 1HD2 ASN 22 -17.905 36.613 -12.698 179 2HD2 ASN 22 2HD2 ASN 22 -17.601 35.393 -13.922 180 H ALA 23 H ALA 23 -23.162 34.131 -15.282 181 HA ALA 23 HA ALA 23 -22.679 32.807 -17.835 182 1HB ALA 23 HB1 ALA 23 -24.266 30.967 -17.456 183 2HB ALA 23 HB2 ALA 23 -22.998 30.885 -16.229 184 3HB ALA 23 HB3 ALA 23 -24.579 31.543 -15.821 185 H THR 24 H THR 24 -24.461 32.961 -19.304 186 HA THR 24 HA THR 24 -26.267 35.232 -18.675 187 HB THR 24 HB THR 24 -25.688 34.151 -21.441 188 HG1 THR 24 HG1 THR 24 -23.781 34.944 -20.427 189 1HG2 THR 24 1HG2 THR 24 -27.711 35.522 -21.250 190 2HG2 THR 24 2HG2 THR 24 -26.792 36.802 -20.433 191 3HG2 THR 24 3HG2 THR 24 -26.465 36.400 -22.126 192 H ALA 25 H ALA 25 -28.263 34.811 -18.206 193 HA ALA 25 HA ALA 25 -29.493 32.167 -18.588 194 1HB ALA 25 HB1 ALA 25 -31.207 33.168 -17.147 195 2HB ALA 25 HB2 ALA 25 -29.597 33.493 -16.520 196 3HB ALA 25 HB3 ALA 25 -30.489 34.782 -17.379 197 H ASN 26 H ASN 26 -31.929 32.259 -19.121 198 HA ASN 26 HA ASN 26 -33.433 32.101 -20.682 199 1HB ASN 26 HB2 ASN 26 -33.575 34.565 -20.054 200 2HB ASN 26 HB3 ASN 26 -32.649 34.931 -21.512 201 1HD2 ASN 26 1HD2 ASN 26 -36.558 33.643 -21.815 202 2HD2 ASN 26 2HD2 ASN 26 -35.593 33.205 -20.407 203 H LEU 27 H LEU 27 -30.305 32.221 -21.736 204 HA LEU 27 HA LEU 27 -30.953 31.642 -24.582 205 1HB LEU 27 HB2 LEU 27 -28.327 32.094 -23.137 206 2HB LEU 27 HB3 LEU 27 -28.490 31.841 -24.873 207 HG LEU 27 HG LEU 27 -29.540 34.216 -23.283 208 1HD1 LEU 27 1HD1 LEU 27 -27.289 34.012 -25.348 209 2HD1 LEU 27 2HD1 LEU 27 -27.856 35.489 -24.523 210 3HD1 LEU 27 3HD1 LEU 27 -27.093 34.171 -23.585 211 1HD2 LEU 27 1HD2 LEU 27 -31.035 33.776 -25.186 212 2HD2 LEU 27 2HD2 LEU 27 -30.073 35.198 -25.521 213 3HD2 LEU 27 3HD2 LEU 27 -29.646 33.641 -26.282 214 H SER 28 H SER 28 -30.605 29.775 -21.817 215 HA SER 28 HA SER 28 -30.262 27.589 -21.393 216 1HB SER 28 HB2 SER 28 -30.973 25.926 -22.938 217 2HB SER 28 HB3 SER 28 -32.027 27.340 -23.082 218 HG SER 28 HG SER 28 -30.372 27.852 -24.882 219 H GLN 29 H GLN 29 -27.924 29.086 -21.709 220 HA GLN 29 HA GLN 29 -25.877 27.881 -23.260 221 1HB GLN 29 HB2 GLN 29 -25.867 29.495 -20.659 222 2HB GLN 29 HB3 GLN 29 -24.362 28.950 -21.420 223 1HG GLN 29 HG2 GLN 29 -25.050 30.125 -23.526 224 2HG GLN 29 HG3 GLN 29 -26.445 30.814 -22.654 225 1HE2 GLN 29 1HE2 GLN 29 -23.512 33.217 -22.616 226 2HE2 GLN 29 2HE2 GLN 29 -24.364 32.398 -23.933 227 H SER 30 H SER 30 -23.979 26.793 -22.560 228 HA SER 30 HA SER 30 -24.393 24.812 -20.350 229 1HB SER 30 HB2 SER 30 -22.769 24.475 -22.909 230 2HB SER 30 HB3 SER 30 -22.795 23.340 -21.512 231 HG SER 30 HG SER 30 -24.988 24.093 -23.150 232 H VAL 31 H VAL 31 -22.903 24.735 -18.818 233 HA VAL 31 HA VAL 31 -20.520 26.590 -18.914 234 HB VAL 31 HB VAL 31 -22.685 26.474 -16.755 235 1HG1 VAL 31 1HG1 VAL 31 -20.150 28.198 -16.949 236 2HG1 VAL 31 2HG1 VAL 31 -21.458 28.448 -15.760 237 3HG1 VAL 31 3HG1 VAL 31 -20.480 26.979 -15.704 238 1HG2 VAL 31 1HG2 VAL 31 -23.453 27.791 -18.695 239 2HG2 VAL 31 2HG2 VAL 31 -23.075 28.842 -17.329 240 3HG2 VAL 31 3HG2 VAL 31 -21.926 28.726 -18.664 241 H THR 32 H THR 32 -18.696 25.751 -18.032 242 HA THR 32 HA THR 32 -18.868 23.358 -16.252 243 HB THR 32 HB THR 32 -16.479 24.443 -17.789 244 HG1 THR 32 HG1 THR 32 -16.933 22.938 -19.256 245 1HG2 THR 32 1HG2 THR 32 -15.778 23.036 -15.887 246 2HG2 THR 32 2HG2 THR 32 -17.001 21.806 -16.330 247 3HG2 THR 32 3HG2 THR 32 -15.613 22.129 -17.405 248 H LEU 33 H LEU 33 -18.097 23.461 -14.231 249 HA LEU 33 HA LEU 33 -16.101 25.383 -13.384 250 1HB LEU 33 HB2 LEU 33 -17.245 26.477 -11.668 251 2HB LEU 33 HB3 LEU 33 -18.174 26.719 -13.147 252 HG LEU 33 HG LEU 33 -19.360 24.424 -11.999 253 1HD1 LEU 33 1HD1 LEU 33 -18.811 26.483 -9.814 254 2HD1 LEU 33 2HD1 LEU 33 -19.879 25.082 -9.702 255 3HD1 LEU 33 3HD1 LEU 33 -18.136 24.852 -9.856 256 1HD2 LEU 33 1HD2 LEU 33 -20.242 27.337 -11.770 257 2HD2 LEU 33 2HD2 LEU 33 -20.567 26.234 -13.134 258 3HD2 LEU 33 3HD2 LEU 33 -21.250 25.876 -11.554 259 H ALA 34 H ALA 34 -15.405 24.903 -11.008 260 HA ALA 34 HA ALA 34 -15.924 22.093 -10.282 261 1HB ALA 34 HB1 ALA 34 -13.186 23.038 -11.203 262 2HB ALA 34 HB2 ALA 34 -13.671 21.367 -10.863 263 3HB ALA 34 HB3 ALA 34 -14.326 22.212 -12.287 264 H CYS 35 H CYS 35 -15.175 21.325 -8.455 265 HA CYS 35 HA CYS 35 -13.402 22.964 -6.659 266 1HB CYS 35 HB2 CYS 35 -15.604 20.979 -5.985 267 2HB CYS 35 HB3 CYS 35 -14.345 21.501 -4.851 268 H ASP 36 H ASP 36 -11.360 22.142 -7.268 269 HA ASP 36 HA ASP 36 -11.194 19.459 -8.345 270 1HB ASP 36 HB2 ASP 36 -8.919 19.949 -8.869 271 2HB ASP 36 HB3 ASP 36 -10.082 21.091 -9.522 272 H ALA 37 H ALA 37 -11.561 17.922 -6.954 273 HA ALA 37 HA ALA 37 -9.997 17.723 -4.456 274 1HB ALA 37 HB1 ALA 37 -12.260 16.005 -5.598 275 2HB ALA 37 HB2 ALA 37 -11.590 15.857 -3.982 276 3HB ALA 37 HB3 ALA 37 -12.472 17.330 -4.440 277 H ASP 38 H ASP 38 -8.769 16.028 -3.887 278 HA ASP 38 HA ASP 38 -8.171 13.799 -5.762 279 1HB ASP 38 HB2 ASP 38 -6.078 15.668 -4.498 280 2HB ASP 38 HB3 ASP 38 -5.701 14.128 -5.284 281 H GLY 39 H GLY 39 -6.852 12.074 -4.590 282 1HA GLY 39 HA2 GLY 39 -6.200 11.865 -1.926 283 2HA GLY 39 HA3 GLY 39 -7.915 11.438 -1.937 284 H PHE 40 H PHE 40 -5.976 9.613 -1.114 285 HA PHE 40 HA PHE 40 -6.215 7.484 -3.134 286 1HB PHE 40 HB2 PHE 40 -3.586 8.185 -1.810 287 2HB PHE 40 HB3 PHE 40 -3.881 6.843 -2.886 288 HD1 PHE 40 HD1 PHE 40 -4.243 7.279 -5.350 289 HD2 PHE 40 HD2 PHE 40 -3.266 10.468 -2.633 290 HE1 PHE 40 HE1 PHE 40 -3.668 8.754 -7.283 291 HE2 PHE 40 HE2 PHE 40 -2.650 11.908 -4.554 292 HZ PHE 40 HZ PHE 40 -2.885 11.074 -6.873 293 HA PRO 41 HA PRO 41 -7.191 5.329 -3.070 294 1HB PRO 41 HB2 PRO 41 -9.496 4.899 -1.120 295 2HB PRO 41 HB3 PRO 41 -8.966 3.883 -2.484 296 1HG PRO 41 HG2 PRO 41 -8.229 3.188 0.026 297 2HG PRO 41 HG3 PRO 41 -7.005 3.163 -1.266 298 1HD PRO 41 HD2 PRO 41 -7.501 5.381 0.758 299 2HD PRO 41 HD3 PRO 41 -5.963 4.630 0.270 300 H GLU 42 H GLU 42 -8.857 5.986 -4.410 301 HA GLU 42 HA GLU 42 -9.288 8.613 -4.903 302 1HB GLU 42 HB2 GLU 42 -11.181 6.336 -5.480 303 2HB GLU 42 HB3 GLU 42 -11.286 7.948 -6.227 304 1HG GLU 42 HG2 GLU 42 -9.079 7.678 -7.233 305 2HG GLU 42 HG3 GLU 42 -8.835 6.124 -6.437 306 HA PRO 43 HA PRO 43 -11.917 9.878 -1.595 307 1HB PRO 43 HB2 PRO 43 -12.370 12.494 -2.152 308 2HB PRO 43 HB3 PRO 43 -10.704 11.873 -1.849 309 1HG PRO 43 HG2 PRO 43 -12.042 12.294 -4.559 310 2HG PRO 43 HG3 PRO 43 -10.455 12.919 -4.022 311 1HD PRO 43 HD2 PRO 43 -10.642 10.602 -5.413 312 2HD PRO 43 HD3 PRO 43 -9.469 10.764 -4.065 313 H THR 44 H THR 44 -14.007 10.548 -0.969 314 HA THR 44 HA THR 44 -16.162 10.325 -3.033 315 HB THR 44 HB THR 44 -16.247 10.068 -0.001 316 HG1 THR 44 HG1 THR 44 -16.664 7.901 -0.432 317 1HG2 THR 44 1HG2 THR 44 -18.414 10.918 -0.878 318 2HG2 THR 44 2HG2 THR 44 -18.435 9.657 -2.110 319 3HG2 THR 44 3HG2 THR 44 -18.596 9.251 -0.372 320 H MET 45 H MET 45 -17.011 12.363 -3.674 321 HA MET 45 HA MET 45 -17.057 14.499 -1.636 322 1HB MET 45 HB2 MET 45 -15.793 16.013 -2.872 323 2HB MET 45 HB3 MET 45 -14.870 14.528 -2.913 324 1HG MET 45 HG2 MET 45 -14.657 15.278 -5.087 325 2HG MET 45 HG3 MET 45 -15.972 14.133 -5.240 326 1HE MET 45 HE1 MET 45 -14.752 17.814 -5.270 327 2HE MET 45 HE2 MET 45 -16.250 18.763 -5.475 328 3HE MET 45 HE3 MET 45 -15.902 17.985 -3.916 329 H THR 46 H THR 46 -18.503 16.084 -1.871 330 HA THR 46 HA THR 46 -20.429 16.075 -4.124 331 HB THR 46 HB THR 46 -22.359 15.990 -2.546 332 HG1 THR 46 HG1 THR 46 -21.998 14.993 -0.552 333 1HG2 THR 46 1HG2 THR 46 -20.741 13.431 -2.503 334 2HG2 THR 46 2HG2 THR 46 -22.508 13.579 -2.347 335 3HG2 THR 46 3HG2 THR 46 -21.703 14.006 -3.889 336 H TRP 47 H TRP 47 -22.134 17.840 -3.730 337 HA TRP 47 HA TRP 47 -21.342 20.042 -2.067 338 1HB TRP 47 HB2 TRP 47 -20.992 21.625 -4.044 339 2HB TRP 47 HB3 TRP 47 -19.747 20.557 -3.512 340 HD1 TRP 47 HD1 TRP 47 -19.165 18.375 -4.979 341 HE1 TRP 47 HE1 TRP 47 -18.488 18.475 -7.425 342 HE3 TRP 47 HE3 TRP 47 -21.632 22.659 -6.310 343 HZ2 TRP 47 HZ2 TRP 47 -18.466 20.484 -9.487 344 HZ3 TRP 47 HZ3 TRP 47 -21.219 23.661 -8.533 345 HH2 TRP 47 HH2 TRP 47 -19.615 22.610 -10.118 346 H THR 48 H THR 48 -22.633 21.946 -2.158 347 HA THR 48 HA THR 48 -25.487 21.231 -2.725 348 HB THR 48 HB THR 48 -26.124 22.323 -0.689 349 HG1 THR 48 HG1 THR 48 -24.459 23.158 0.699 350 1HG2 THR 48 1HG2 THR 48 -25.081 20.934 1.010 351 2HG2 THR 48 2HG2 THR 48 -25.251 19.961 -0.453 352 3HG2 THR 48 3HG2 THR 48 -23.665 20.627 -0.023 353 H LYS 49 H LYS 49 -26.988 22.884 -3.083 354 HA LYS 49 HA LYS 49 -25.918 25.244 -4.521 355 1HB LYS 49 HB2 LYS 49 -27.515 23.450 -5.507 356 2HB LYS 49 HB3 LYS 49 -28.763 24.198 -4.508 357 1HG LYS 49 HG2 LYS 49 -28.324 26.382 -5.693 358 2HG LYS 49 HG3 LYS 49 -27.108 25.549 -6.689 359 1HD LYS 49 HD2 LYS 49 -28.850 24.001 -7.547 360 2HD LYS 49 HD3 LYS 49 -30.057 24.788 -6.559 361 1HE LYS 49 HE2 LYS 49 -28.444 26.178 -8.772 362 2HE LYS 49 HE3 LYS 49 -30.082 25.508 -8.932 363 1HZ LYS 49 HZ1 LYS 49 -30.416 27.737 -8.515 364 2HZ LYS 49 HZ2 LYS 49 -30.703 27.048 -7.062 365 3HZ LYS 49 HZ3 LYS 49 -29.307 27.860 -7.339 366 H ASP 50 H ASP 50 -25.463 25.838 -2.136 367 HA ASP 50 HA ASP 50 -25.802 26.996 -0.230 368 1HB ASP 50 HB2 ASP 50 -26.099 28.742 -2.025 369 2HB ASP 50 HB3 ASP 50 -27.830 28.634 -1.781 370 H GLY 51 H GLY 51 -27.676 24.629 -0.604 371 1HA GLY 51 HA2 GLY 51 -29.208 24.771 1.784 372 2HA GLY 51 HA3 GLY 51 -30.254 25.311 0.481 373 H GLU 52 H GLU 52 -28.982 23.278 -1.421 374 HA GLU 52 HA GLU 52 -29.911 20.696 -0.273 375 1HB GLU 52 HB2 GLU 52 -31.483 20.329 -2.037 376 2HB GLU 52 HB3 GLU 52 -31.890 21.803 -1.196 377 1HG GLU 52 HG2 GLU 52 -30.859 23.138 -3.030 378 2HG GLU 52 HG3 GLU 52 -30.473 21.666 -3.905 379 HA PRO 53 HA PRO 53 -26.513 19.158 -2.427 380 1HB PRO 53 HB2 PRO 53 -27.018 16.514 -2.777 381 2HB PRO 53 HB3 PRO 53 -26.838 17.263 -1.168 382 1HG PRO 53 HG2 PRO 53 -29.417 16.671 -2.664 383 2HG PRO 53 HG3 PRO 53 -29.019 16.251 -0.962 384 1HD PRO 53 HD2 PRO 53 -30.451 18.477 -1.523 385 2HD PRO 53 HD3 PRO 53 -29.205 18.482 -0.249 386 H ILE 54 H ILE 54 -25.537 18.893 -4.286 387 HA ILE 54 HA ILE 54 -27.022 18.625 -6.859 388 HB ILE 54 HB ILE 54 -24.213 19.721 -6.406 389 1HG1 ILE 54 2HG1 ILE 54 -26.622 21.530 -6.754 390 2HG1 ILE 54 3HG1 ILE 54 -26.052 21.095 -5.167 391 1HG2 ILE 54 1HG2 ILE 54 -26.190 20.267 -8.667 392 2HG2 ILE 54 2HG2 ILE 54 -24.516 20.838 -8.596 393 3HG2 ILE 54 3HG2 ILE 54 -24.861 19.125 -8.813 394 1HD1 ILE 54 1HD1 ILE 54 -24.295 22.432 -7.221 395 2HD1 ILE 54 2HD1 ILE 54 -25.128 23.231 -5.912 396 3HD1 ILE 54 3HD1 ILE 54 -23.867 22.028 -5.558 397 H GLU 55 H GLU 55 -26.630 16.475 -5.246 398 HA GLU 55 HA GLU 55 -24.426 14.875 -5.301 399 1HB GLU 55 HB2 GLU 55 -26.105 12.942 -5.121 400 2HB GLU 55 HB3 GLU 55 -26.069 14.230 -3.889 401 1HG GLU 55 HG2 GLU 55 -28.072 15.286 -4.914 402 2HG GLU 55 HG3 GLU 55 -28.093 14.048 -6.156 403 H GLN 56 H GLN 56 -23.191 14.746 -7.046 404 HA GLN 56 HA GLN 56 -24.002 14.403 -9.663 405 1HB GLN 56 HB2 GLN 56 -21.329 13.396 -8.671 406 2HB GLN 56 HB3 GLN 56 -21.709 14.162 -10.223 407 1HG GLN 56 HG2 GLN 56 -20.605 15.868 -9.199 408 2HG GLN 56 HG3 GLN 56 -22.232 16.261 -8.693 409 1HE2 GLN 56 1HE2 GLN 56 -19.375 14.981 -5.963 410 2HE2 GLN 56 2HE2 GLN 56 -19.040 15.155 -7.673 411 H GLU 57 H GLU 57 -23.884 11.945 -7.293 412 HA GLU 57 HA GLU 57 -23.631 9.685 -9.208 413 1HB GLU 57 HB2 GLU 57 -23.111 8.312 -7.333 414 2HB GLU 57 HB3 GLU 57 -22.110 9.752 -7.313 415 1HG GLU 57 HG2 GLU 57 -23.592 10.748 -5.564 416 2HG GLU 57 HG3 GLU 57 -24.597 9.312 -5.615 417 H ASP 58 H ASP 58 -26.129 11.479 -7.992 418 HA ASP 58 HA ASP 58 -28.072 9.251 -8.429 419 1HB ASP 58 HB2 ASP 58 -27.870 11.032 -5.994 420 2HB ASP 58 HB3 ASP 58 -29.438 10.406 -6.524 421 H ASN 59 H ASN 59 -27.437 12.755 -8.465 422 HA ASN 59 HA ASN 59 -29.933 13.149 -10.080 423 1HB ASN 59 HB2 ASN 59 -29.456 14.513 -8.017 424 2HB ASN 59 HB3 ASN 59 -28.132 15.258 -8.890 425 1HD2 ASN 59 1HD2 ASN 59 -31.335 17.270 -9.062 426 2HD2 ASN 59 2HD2 ASN 59 -30.388 16.625 -7.745 427 H GLU 60 H GLU 60 -29.904 13.817 -12.136 428 HA GLU 60 HA GLU 60 -27.413 14.374 -13.659 429 1HB GLU 60 HB2 GLU 60 -29.415 12.164 -14.212 430 2HB GLU 60 HB3 GLU 60 -28.118 12.652 -15.314 431 1HG GLU 60 HG2 GLU 60 -26.428 11.974 -13.606 432 2HG GLU 60 HG3 GLU 60 -27.752 11.387 -12.594 433 H GLU 61 H GLU 61 -30.238 15.560 -12.831 434 HA GLU 61 HA GLU 61 -31.845 15.695 -15.165 435 1HB GLU 61 HB2 GLU 61 -31.784 17.473 -12.706 436 2HB GLU 61 HB3 GLU 61 -33.057 17.558 -13.932 437 1HG GLU 61 HG2 GLU 61 -32.425 15.020 -12.352 438 2HG GLU 61 HG3 GLU 61 -33.599 16.229 -11.856 439 H LYS 62 H LYS 62 -29.085 17.656 -14.437 440 HA LYS 62 HA LYS 62 -29.043 18.571 -17.150 441 1HB LYS 62 HB2 LYS 62 -29.130 20.989 -16.828 442 2HB LYS 62 HB3 LYS 62 -30.650 20.246 -16.362 443 1HG LYS 62 HG2 LYS 62 -29.883 20.382 -13.922 444 2HG LYS 62 HG3 LYS 62 -28.531 21.362 -14.488 445 1HD LYS 62 HD2 LYS 62 -31.491 22.010 -14.856 446 2HD LYS 62 HD3 LYS 62 -30.360 22.768 -13.678 447 1HE LYS 62 HE2 LYS 62 -28.993 23.571 -15.663 448 2HE LYS 62 HE3 LYS 62 -30.206 22.885 -16.711 449 1HZ LYS 62 HZ1 LYS 62 -30.791 25.147 -16.465 450 2HZ LYS 62 HZ2 LYS 62 -31.834 24.388 -15.435 451 3HZ LYS 62 HZ3 LYS 62 -30.509 25.184 -14.880 452 H TYR 63 H TYR 63 -27.157 17.037 -15.846 453 HA TYR 63 HA TYR 63 -24.850 18.579 -16.447 454 1HB TYR 63 HB2 TYR 63 -23.759 18.340 -14.101 455 2HB TYR 63 HB3 TYR 63 -24.782 19.683 -14.439 456 HD1 TYR 63 HD1 TYR 63 -26.646 20.255 -13.181 457 HD2 TYR 63 HD2 TYR 63 -24.793 16.394 -12.668 458 HE1 TYR 63 HE1 TYR 63 -27.909 19.924 -11.062 459 HE2 TYR 63 HE2 TYR 63 -26.014 16.082 -10.540 460 HH TYR 63 HH TYR 63 -28.299 18.556 -9.255 461 H SER 64 H SER 64 -22.841 17.633 -16.166 462 HA SER 64 HA SER 64 -22.563 14.682 -15.918 463 1HB SER 64 HB2 SER 64 -21.793 16.263 -18.432 464 2HB SER 64 HB3 SER 64 -21.485 14.550 -18.130 465 HG SER 64 HG SER 64 -23.677 14.135 -18.230 466 H PHE 65 H PHE 65 -20.354 14.085 -15.476 467 HA PHE 65 HA PHE 65 -18.320 16.189 -15.133 468 1HB PHE 65 HB2 PHE 65 -18.275 15.609 -12.830 469 2HB PHE 65 HB3 PHE 65 -19.926 15.959 -13.302 470 HD1 PHE 65 HD1 PHE 65 -17.732 13.490 -11.823 471 HD2 PHE 65 HD2 PHE 65 -21.602 14.105 -13.623 472 HE1 PHE 65 HE1 PHE 65 -18.491 11.329 -10.861 473 HE2 PHE 65 HE2 PHE 65 -22.371 11.928 -12.690 474 HZ PHE 65 HZ PHE 65 -20.841 10.556 -11.312 475 H ASN 66 H ASN 66 -16.391 15.175 -13.916 476 HA ASN 66 HA ASN 66 -15.378 12.946 -15.631 477 1HB ASN 66 HB2 ASN 66 -13.381 14.017 -15.803 478 2HB ASN 66 HB3 ASN 66 -14.444 15.406 -15.689 479 1HD2 ASN 66 1HD2 ASN 66 -13.107 16.391 -12.482 480 2HD2 ASN 66 2HD2 ASN 66 -14.522 16.546 -13.543 481 H TYR 67 H TYR 67 -13.316 11.889 -14.617 482 HA TYR 67 HA TYR 67 -14.335 10.181 -12.632 483 1HB TYR 67 HB2 TYR 67 -11.435 10.459 -13.543 484 2HB TYR 67 HB3 TYR 67 -12.183 9.049 -12.844 485 HD1 TYR 67 HD1 TYR 67 -11.417 10.717 -15.909 486 HD2 TYR 67 HD2 TYR 67 -14.172 7.949 -14.106 487 HE1 TYR 67 HE1 TYR 67 -12.126 9.977 -18.177 488 HE2 TYR 67 HE2 TYR 67 -14.848 7.142 -16.401 489 HH TYR 67 HH TYR 67 -14.576 7.405 -18.667 490 H ASP 68 H ASP 68 -12.356 13.039 -12.133 491 HA ASP 68 HA ASP 68 -11.620 12.388 -9.314 492 1HB ASP 68 HB2 ASP 68 -11.368 14.913 -10.968 493 2HB ASP 68 HB3 ASP 68 -10.815 14.700 -9.309 494 H GLY 69 H GLY 69 -14.523 13.370 -10.836 495 1HA GLY 69 HA2 GLY 69 -16.553 14.019 -9.998 496 2HA GLY 69 HA3 GLY 69 -15.883 13.959 -8.372 497 H SER 70 H SER 70 -13.980 16.012 -10.270 498 HA SER 70 HA SER 70 -14.722 18.294 -8.656 499 1HB SER 70 HB2 SER 70 -12.704 19.200 -9.845 500 2HB SER 70 HB3 SER 70 -12.435 17.728 -8.891 501 HG SER 70 HG SER 70 -11.437 17.534 -10.878 502 H GLU 71 H GLU 71 -14.030 18.081 -12.111 503 HA GLU 71 HA GLU 71 -15.423 20.503 -12.789 504 1HB GLU 71 HB2 GLU 71 -14.478 18.291 -14.647 505 2HB GLU 71 HB3 GLU 71 -15.011 19.911 -15.105 506 1HG GLU 71 HG2 GLU 71 -13.121 20.878 -13.758 507 2HG GLU 71 HG3 GLU 71 -12.551 19.242 -13.442 508 H LEU 72 H LEU 72 -17.507 20.639 -12.387 509 HA LEU 72 HA LEU 72 -19.346 18.552 -13.447 510 1HB LEU 72 HB2 LEU 72 -19.592 19.306 -11.055 511 2HB LEU 72 HB3 LEU 72 -19.930 20.931 -11.651 512 HG LEU 72 HG LEU 72 -21.951 19.967 -12.896 513 1HD1 LEU 72 1HD1 LEU 72 -21.115 17.443 -11.416 514 2HD1 LEU 72 2HD1 LEU 72 -22.753 17.757 -12.026 515 3HD1 LEU 72 3HD1 LEU 72 -21.417 17.662 -13.168 516 1HD2 LEU 72 1HD2 LEU 72 -23.331 19.692 -10.870 517 2HD2 LEU 72 2HD2 LEU 72 -21.883 19.473 -9.888 518 3HD2 LEU 72 3HD2 LEU 72 -22.202 21.038 -10.650 519 H ILE 73 H ILE 73 -20.143 18.897 -15.379 520 HA ILE 73 HA ILE 73 -20.200 21.626 -16.614 521 HB ILE 73 HB ILE 73 -20.679 18.940 -17.919 522 1HG1 ILE 73 2HG1 ILE 73 -18.047 20.409 -18.223 523 2HG1 ILE 73 3HG1 ILE 73 -18.248 19.275 -16.910 524 1HG2 ILE 73 1HG2 ILE 73 -20.041 21.720 -19.051 525 2HG2 ILE 73 2HG2 ILE 73 -20.340 20.247 -19.995 526 3HG2 ILE 73 3HG2 ILE 73 -21.619 20.998 -19.044 527 1HD1 ILE 73 1HD1 ILE 73 -17.241 18.186 -18.825 528 2HD1 ILE 73 2HD1 ILE 73 -18.812 17.478 -18.390 529 3HD1 ILE 73 3HD1 ILE 73 -18.673 18.557 -19.820 530 H ILE 74 H ILE 74 -22.038 22.621 -16.547 531 HA ILE 74 HA ILE 74 -24.595 21.199 -15.976 532 HB ILE 74 HB ILE 74 -23.832 24.085 -15.476 533 1HG1 ILE 74 2HG1 ILE 74 -24.311 21.854 -13.416 534 2HG1 ILE 74 3HG1 ILE 74 -22.709 22.406 -13.937 535 1HG2 ILE 74 1HG2 ILE 74 -26.385 22.642 -14.655 536 2HG2 ILE 74 2HG2 ILE 74 -25.943 24.323 -14.277 537 3HG2 ILE 74 3HG2 ILE 74 -26.249 23.858 -15.938 538 1HD1 ILE 74 1HD1 ILE 74 -23.153 23.445 -11.858 539 2HD1 ILE 74 2HD1 ILE 74 -23.240 24.686 -13.116 540 3HD1 ILE 74 3HD1 ILE 74 -24.728 24.058 -12.377 541 H LYS 75 H LYS 75 -26.058 21.214 -17.525 542 HA LYS 75 HA LYS 75 -25.646 22.968 -19.934 543 1HB LYS 75 HB2 LYS 75 -26.822 21.271 -21.223 544 2HB LYS 75 HB3 LYS 75 -25.462 20.574 -20.347 545 1HG LYS 75 HG2 LYS 75 -27.393 20.017 -18.518 546 2HG LYS 75 HG3 LYS 75 -28.448 20.237 -19.895 547 1HD LYS 75 HD2 LYS 75 -27.948 17.905 -19.596 548 2HD LYS 75 HD3 LYS 75 -27.167 18.456 -21.110 549 1HE LYS 75 HE2 LYS 75 -24.990 18.627 -19.918 550 2HE LYS 75 HE3 LYS 75 -25.773 18.167 -18.394 551 1HZ LYS 75 HZ1 LYS 75 -25.521 16.444 -20.823 552 2HZ LYS 75 HZ2 LYS 75 -24.731 16.249 -19.420 553 3HZ LYS 75 HZ3 LYS 75 -26.333 16.028 -19.457 554 H LYS 76 H LYS 76 -27.500 23.724 -20.962 555 HA LYS 76 HA LYS 76 -29.363 25.000 -21.114 556 1HB LYS 76 HB2 LYS 76 -31.491 23.951 -20.681 557 2HB LYS 76 HB3 LYS 76 -30.327 22.888 -21.458 558 1HG LYS 76 HG2 LYS 76 -29.952 21.807 -19.148 559 2HG LYS 76 HG3 LYS 76 -31.320 22.746 -18.577 560 1HD LYS 76 HD2 LYS 76 -32.821 21.611 -20.233 561 2HD LYS 76 HD3 LYS 76 -31.412 20.863 -20.991 562 1HE LYS 76 HE2 LYS 76 -32.193 19.122 -19.703 563 2HE LYS 76 HE3 LYS 76 -30.925 19.780 -18.676 564 1HZ LYS 76 HZ1 LYS 76 -32.750 20.975 -17.472 565 2HZ LYS 76 HZ2 LYS 76 -33.853 20.205 -18.388 566 3HZ LYS 76 HZ3 LYS 76 -32.897 19.346 -17.385 567 H VAL 77 H VAL 77 -27.865 26.228 -19.500 568 HA VAL 77 HA VAL 77 -28.861 26.724 -16.861 569 HB VAL 77 HB VAL 77 -26.885 28.183 -18.644 570 1HG1 VAL 77 1HG1 VAL 77 -27.525 28.873 -15.745 571 2HG1 VAL 77 2HG1 VAL 77 -26.109 29.441 -16.663 572 3HG1 VAL 77 3HG1 VAL 77 -27.735 29.929 -17.169 573 1HG2 VAL 77 1HG2 VAL 77 -25.227 27.250 -17.043 574 2HG2 VAL 77 2HG2 VAL 77 -26.519 26.507 -16.111 575 3HG2 VAL 77 3HG2 VAL 77 -26.189 25.958 -17.762 576 H ASP 78 H ASP 78 -30.045 28.324 -15.980 577 HA ASP 78 HA ASP 78 -30.920 30.672 -17.466 578 1HB ASP 78 HB2 ASP 78 -32.591 28.572 -17.770 579 2HB ASP 78 HB3 ASP 78 -33.137 29.148 -16.169 580 H LYS 79 H LYS 79 -32.498 31.910 -15.902 581 HA LYS 79 HA LYS 79 -31.112 32.998 -13.782 582 1HB LYS 79 HB2 LYS 79 -34.129 32.763 -14.096 583 2HB LYS 79 HB3 LYS 79 -33.329 33.832 -12.941 584 1HG LYS 79 HG2 LYS 79 -32.142 34.937 -14.830 585 2HG LYS 79 HG3 LYS 79 -33.073 33.947 -15.963 586 1HD LYS 79 HD2 LYS 79 -34.367 35.886 -14.012 587 2HD LYS 79 HD3 LYS 79 -33.918 36.280 -15.644 588 1HE LYS 79 HE2 LYS 79 -36.121 35.824 -15.953 589 2HE LYS 79 HE3 LYS 79 -35.406 34.258 -16.348 590 1HZ LYS 79 HZ1 LYS 79 -36.649 34.999 -13.755 591 2HZ LYS 79 HZ2 LYS 79 -37.313 34.045 -14.883 592 3HZ LYS 79 HZ3 LYS 79 -35.985 33.518 -14.084 593 H SER 80 H SER 80 -33.012 30.060 -13.480 594 HA SER 80 HA SER 80 -33.073 30.021 -10.582 595 1HB SER 80 HB2 SER 80 -33.832 27.617 -11.032 596 2HB SER 80 HB3 SER 80 -34.826 28.921 -11.728 597 HG SER 80 HG SER 80 -34.386 27.178 -13.203 598 H ASP 81 H ASP 81 -30.462 29.359 -12.718 599 HA ASP 81 HA ASP 81 -29.288 27.250 -11.029 600 1HB ASP 81 HB2 ASP 81 -28.297 28.597 -13.552 601 2HB ASP 81 HB3 ASP 81 -27.477 27.270 -12.719 602 H GLU 82 H GLU 82 -29.348 30.534 -10.610 603 HA GLU 82 HA GLU 82 -26.644 31.173 -9.829 604 1HB GLU 82 HB2 GLU 82 -28.445 32.817 -10.238 605 2HB GLU 82 HB3 GLU 82 -29.319 32.261 -8.821 606 1HG GLU 82 HG2 GLU 82 -27.737 33.186 -7.339 607 2HG GLU 82 HG3 GLU 82 -26.469 33.175 -8.531 608 H ALA 83 H ALA 83 -25.543 30.911 -7.890 609 HA ALA 83 HA ALA 83 -26.723 29.525 -5.578 610 1HB ALA 83 HB1 ALA 83 -25.458 27.421 -5.914 611 2HB ALA 83 HB2 ALA 83 -26.464 27.696 -7.344 612 3HB ALA 83 HB3 ALA 83 -24.738 28.067 -7.423 613 H GLU 84 H GLU 84 -25.183 28.906 -3.947 614 HA GLU 84 HA GLU 84 -22.483 30.116 -4.085 615 1HB GLU 84 HB2 GLU 84 -23.957 31.611 -2.721 616 2HB GLU 84 HB3 GLU 84 -24.213 30.266 -1.592 617 1HG GLU 84 HG2 GLU 84 -21.738 30.142 -1.234 618 2HG GLU 84 HG3 GLU 84 -21.513 31.515 -2.305 619 H TYR 85 H TYR 85 -21.691 28.191 -4.649 620 HA TYR 85 HA TYR 85 -22.562 25.689 -3.615 621 1HB TYR 85 HB2 TYR 85 -20.003 26.354 -5.129 622 2HB TYR 85 HB3 TYR 85 -20.671 24.755 -4.874 623 HD1 TYR 85 HD1 TYR 85 -20.309 27.210 -7.287 624 HD2 TYR 85 HD2 TYR 85 -23.279 24.578 -5.632 625 HE1 TYR 85 HE1 TYR 85 -21.515 27.176 -9.473 626 HE2 TYR 85 HE2 TYR 85 -24.490 24.537 -7.828 627 HH TYR 85 HH TYR 85 -23.313 26.307 -10.649 628 H ILE 86 H ILE 86 -21.877 24.511 -1.970 629 HA ILE 86 HA ILE 86 -19.195 25.103 -0.707 630 HB ILE 86 HB ILE 86 -21.669 24.013 0.703 631 1HG1 ILE 86 2HG1 ILE 86 -20.377 26.775 0.689 632 2HG1 ILE 86 3HG1 ILE 86 -22.044 26.351 0.191 633 1HG2 ILE 86 1HG2 ILE 86 -20.273 24.196 2.741 634 2HG2 ILE 86 2HG2 ILE 86 -19.486 23.164 1.541 635 3HG2 ILE 86 3HG2 ILE 86 -18.918 24.828 1.739 636 1HD1 ILE 86 1HD1 ILE 86 -20.961 26.383 3.023 637 2HD1 ILE 86 2HD1 ILE 86 -22.156 27.463 2.301 638 3HD1 ILE 86 3HD1 ILE 86 -22.564 25.745 2.556 639 H CYS 87 H CYS 87 -17.836 23.449 -0.877 640 HA CYS 87 HA CYS 87 -18.884 20.811 -1.741 641 1HB CYS 87 HB2 CYS 87 -17.066 20.720 -3.426 642 2HB CYS 87 HB3 CYS 87 -18.212 22.030 -3.696 643 H ILE 88 H ILE 88 -18.135 19.084 -0.968 644 HA ILE 88 HA ILE 88 -15.955 19.264 1.080 645 HB ILE 88 HB ILE 88 -18.558 17.658 1.290 646 1HG1 ILE 88 2HG1 ILE 88 -18.895 19.395 3.320 647 2HG1 ILE 88 3HG1 ILE 88 -17.950 20.466 2.273 648 1HG2 ILE 88 1HG2 ILE 88 -16.400 18.274 3.382 649 2HG2 ILE 88 2HG2 ILE 88 -17.916 17.366 3.651 650 3HG2 ILE 88 3HG2 ILE 88 -16.687 16.711 2.580 651 1HD1 ILE 88 1HD1 ILE 88 -20.523 19.022 1.480 652 2HD1 ILE 88 2HD1 ILE 88 -20.421 20.693 2.045 653 3HD1 ILE 88 3HD1 ILE 88 -19.705 20.234 0.504 654 H ALA 89 H ALA 89 -14.530 17.605 1.042 655 HA ALA 89 HA ALA 89 -15.157 15.124 -0.503 656 1HB ALA 89 HB1 ALA 89 -12.455 16.548 -0.319 657 2HB ALA 89 HB2 ALA 89 -12.758 14.955 -1.064 658 3HB ALA 89 HB3 ALA 89 -13.483 16.405 -1.765 659 H GLU 90 H GLU 90 -14.553 13.243 0.406 660 HA GLU 90 HA GLU 90 -13.414 13.169 3.162 661 1HB GLU 90 HB2 GLU 90 -15.903 13.587 3.189 662 2HB GLU 90 HB3 GLU 90 -16.118 12.056 2.323 663 1HG GLU 90 HG2 GLU 90 -14.948 10.897 4.253 664 2HG GLU 90 HG3 GLU 90 -14.953 12.444 5.114 665 H ASN 91 H ASN 91 -12.442 11.177 3.626 666 HA ASN 91 HA ASN 91 -13.147 8.834 2.100 667 1HB ASN 91 HB2 ASN 91 -11.236 8.230 1.003 668 2HB ASN 91 HB3 ASN 91 -11.392 9.932 0.647 669 1HD2 ASN 91 1HD2 ASN 91 -7.842 9.554 1.240 670 2HD2 ASN 91 2HD2 ASN 91 -9.024 9.149 -0.002 671 H LYS 92 H LYS 92 -11.532 6.898 3.042 672 HA LYS 92 HA LYS 92 -12.157 6.747 5.815 673 1HB LYS 92 HB2 LYS 92 -10.807 4.757 5.869 674 2HB LYS 92 HB3 LYS 92 -11.913 4.754 4.526 675 1HG LYS 92 HG2 LYS 92 -8.954 5.472 4.247 676 2HG LYS 92 HG3 LYS 92 -9.531 3.805 4.245 677 1HD LYS 92 HD2 LYS 92 -10.127 5.939 2.155 678 2HD LYS 92 HD3 LYS 92 -9.138 4.505 2.006 679 1HE LYS 92 HE2 LYS 92 -12.147 4.433 2.431 680 2HE LYS 92 HE3 LYS 92 -11.351 4.314 0.870 681 1HZ LYS 92 HZ1 LYS 92 -10.197 2.295 1.678 682 2HZ LYS 92 HZ2 LYS 92 -11.013 2.367 3.101 683 3HZ LYS 92 HZ3 LYS 92 -11.820 2.091 1.715 684 H ALA 93 H ALA 93 -9.355 8.190 4.437 685 HA ALA 93 HA ALA 93 -7.852 8.189 6.957 686 1HB ALA 93 HB1 ALA 93 -6.017 9.069 5.562 687 2HB ALA 93 HB2 ALA 93 -6.718 7.620 4.825 688 3HB ALA 93 HB3 ALA 93 -7.094 9.225 4.173 689 H GLY 94 H GLY 94 -9.997 10.439 5.327 690 1HA GLY 94 HA2 GLY 94 -9.840 12.374 7.414 691 2HA GLY 94 HA3 GLY 94 -8.811 12.919 6.074 692 H GLU 95 H GLU 95 -10.174 14.768 6.157 693 HA GLU 95 HA GLU 95 -12.439 14.722 4.340 694 1HB GLU 95 HB2 GLU 95 -13.409 13.954 6.544 695 2HB GLU 95 HB3 GLU 95 -12.889 15.488 7.255 696 1HG GLU 95 HG2 GLU 95 -14.327 16.693 5.542 697 2HG GLU 95 HG3 GLU 95 -14.945 15.112 5.042 698 H GLN 96 H GLN 96 -12.625 16.749 3.372 699 HA GLN 96 HA GLN 96 -11.735 19.247 4.673 700 1HB GLN 96 HB2 GLN 96 -10.266 18.130 2.235 701 2HB GLN 96 HB3 GLN 96 -10.320 19.852 2.578 702 1HG GLN 96 HG2 GLN 96 -9.430 19.367 4.898 703 2HG GLN 96 HG3 GLN 96 -9.160 17.691 4.356 704 1HE2 GLN 96 1HE2 GLN 96 -7.580 17.312 2.671 705 2HE2 GLN 96 2HE2 GLN 96 -6.271 18.459 2.454 706 H ASP 97 H ASP 97 -12.001 21.163 3.063 707 HA ASP 97 HA ASP 97 -14.245 20.835 1.188 708 1HB ASP 97 HB2 ASP 97 -15.813 22.167 2.407 709 2HB ASP 97 HB3 ASP 97 -15.341 20.797 3.388 710 H ALA 98 H ALA 98 -14.948 22.710 0.093 711 HA ALA 98 HA ALA 98 -13.512 25.276 0.321 712 1HB ALA 98 HB1 ALA 98 -12.131 23.994 -1.284 713 2HB ALA 98 HB2 ALA 98 -13.570 23.618 -2.259 714 3HB ALA 98 HB3 ALA 98 -13.001 25.285 -2.132 715 H THR 99 H THR 99 -14.517 26.800 -1.563 716 HA THR 99 HA THR 99 -17.469 26.524 -1.737 717 HB THR 99 HB THR 99 -15.993 28.564 -0.028 718 HG1 THR 99 HG1 THR 99 -16.967 26.381 0.656 719 1HG2 THR 99 1HG2 THR 99 -17.680 29.859 -1.274 720 2HG2 THR 99 2HG2 THR 99 -18.936 28.695 -0.787 721 3HG2 THR 99 3HG2 THR 99 -18.135 29.678 0.427 722 H ILE 100 H ILE 100 -18.385 27.812 -3.321 723 HA ILE 100 HA ILE 100 -16.767 29.719 -4.939 724 HB ILE 100 HB ILE 100 -18.137 27.256 -6.098 725 1HG1 ILE 100 2HG1 ILE 100 -15.166 27.893 -5.897 726 2HG1 ILE 100 3HG1 ILE 100 -16.033 26.622 -5.042 727 1HG2 ILE 100 1HG2 ILE 100 -16.652 29.515 -7.517 728 2HG2 ILE 100 2HG2 ILE 100 -17.211 28.036 -8.298 729 3HG2 ILE 100 3HG2 ILE 100 -18.388 29.135 -7.639 730 1HD1 ILE 100 1HD1 ILE 100 -16.620 25.578 -7.242 731 2HD1 ILE 100 2HD1 ILE 100 -15.451 26.687 -8.007 732 3HD1 ILE 100 3HD1 ILE 100 -14.885 25.574 -6.780 733 H HIS 101 H HIS 101 -18.070 31.354 -5.833 734 HA HIS 101 HA HIS 101 -21.056 31.071 -5.600 735 1HB HIS 101 HB2 HIS 101 -19.942 33.004 -4.551 736 2HB HIS 101 HB3 HIS 101 -19.291 33.483 -6.090 737 HD1 HIS 101 HD1 HIS 101 -23.050 32.518 -5.807 738 HD2 HIS 101 HD2 HIS 101 -20.483 35.854 -6.001 739 HE1 HIS 101 HE1 HIS 101 -24.536 34.538 -6.234 740 H LEU 102 H LEU 102 -22.364 31.212 -7.362 741 HA LEU 102 HA LEU 102 -21.199 31.724 -10.063 742 1HB LEU 102 HB2 LEU 102 -21.570 29.379 -10.039 743 2HB LEU 102 HB3 LEU 102 -23.121 29.530 -9.191 744 HG LEU 102 HG LEU 102 -24.125 30.587 -11.203 745 1HD1 LEU 102 1HD1 LEU 102 -21.552 29.882 -12.635 746 2HD1 LEU 102 2HD1 LEU 102 -23.007 30.560 -13.364 747 3HD1 LEU 102 3HD1 LEU 102 -22.043 31.525 -12.241 748 1HD2 LEU 102 1HD2 LEU 102 -24.316 28.210 -10.884 749 2HD2 LEU 102 2HD2 LEU 102 -24.226 28.651 -12.602 750 3HD2 LEU 102 3HD2 LEU 102 -22.805 27.934 -11.782 751 H LYS 103 H LYS 103 -21.911 33.601 -10.700 752 HA LYS 103 HA LYS 103 -24.644 34.615 -10.024 753 1HB LYS 103 HB2 LYS 103 -22.356 35.836 -11.619 754 2HB LYS 103 HB3 LYS 103 -23.870 36.658 -11.213 755 1HG LYS 103 HG2 LYS 103 -23.356 36.543 -8.834 756 2HG LYS 103 HG3 LYS 103 -21.858 35.631 -9.134 757 1HD LYS 103 HD2 LYS 103 -20.953 37.552 -10.424 758 2HD LYS 103 HD3 LYS 103 -22.461 38.455 -10.140 759 1HE LYS 103 HE2 LYS 103 -22.095 38.236 -7.669 760 2HE LYS 103 HE3 LYS 103 -20.566 37.390 -7.975 761 1HZ LYS 103 HZ1 LYS 103 -20.224 39.764 -7.554 762 2HZ LYS 103 HZ2 LYS 103 -19.747 39.406 -9.051 763 3HZ LYS 103 HZ3 LYS 103 -21.185 40.169 -8.821 764 H VAL 104 H VAL 104 -26.344 34.711 -11.450 765 HA VAL 104 HA VAL 104 -25.910 33.859 -14.286 766 HB VAL 104 HB VAL 104 -28.008 32.717 -12.450 767 1HG1 VAL 104 1HG1 VAL 104 -28.262 31.177 -14.494 768 2HG1 VAL 104 2HG1 VAL 104 -28.967 32.775 -14.595 769 3HG1 VAL 104 3HG1 VAL 104 -27.426 32.428 -15.424 770 1HG2 VAL 104 1HG2 VAL 104 -26.854 30.551 -12.862 771 2HG2 VAL 104 2HG2 VAL 104 -25.535 31.447 -13.691 772 3HG2 VAL 104 3HG2 VAL 104 -25.830 31.698 -11.960 773 H PHE 105 H PHE 105 -26.419 35.647 -15.367 774 HA PHE 105 HA PHE 105 -28.746 37.295 -14.515 775 1HB PHE 105 HB2 PHE 105 -27.336 39.080 -15.676 776 2HB PHE 105 HB3 PHE 105 -26.845 38.535 -14.096 777 HD1 PHE 105 HD1 PHE 105 -24.692 37.524 -13.708 778 HD2 PHE 105 HD2 PHE 105 -26.059 38.241 -17.752 779 HE1 PHE 105 HE1 PHE 105 -22.443 36.961 -14.593 780 HE2 PHE 105 HE2 PHE 105 -23.798 37.678 -18.594 781 HZ PHE 105 HZ PHE 105 -21.992 37.053 -17.033 782 H ALA 106 H ALA 106 -30.265 37.926 -15.960 783 HA ALA 106 HA ALA 106 -30.214 36.821 -18.681 784 1HB ALA 106 HB1 ALA 106 -32.201 36.592 -17.284 785 2HB ALA 106 HB2 ALA 106 -32.355 38.364 -17.160 786 3HB ALA 106 HB3 ALA 106 -32.535 37.548 -18.731 787 H LYS 107 H LYS 107 -28.213 38.433 -18.656 788 HA LYS 107 HA LYS 107 -27.071 40.271 -19.335 789 1HB LYS 107 HB2 LYS 107 -29.429 40.703 -21.232 790 2HB LYS 107 HB3 LYS 107 -27.844 41.483 -21.348 791 1HG LYS 107 HG2 LYS 107 -26.796 39.214 -21.582 792 2HG LYS 107 HG3 LYS 107 -28.412 38.510 -21.614 793 1HD LYS 107 HD2 LYS 107 -28.969 39.889 -23.596 794 2HD LYS 107 HD3 LYS 107 -27.340 40.589 -23.555 795 1HE LYS 107 HE2 LYS 107 -26.397 38.254 -23.803 796 2HE LYS 107 HE3 LYS 107 -28.062 37.635 -23.988 797 1HZ LYS 107 HZ1 LYS 107 -28.284 39.066 -25.941 798 2HZ LYS 107 HZ2 LYS 107 -26.747 39.590 -25.812 799 3HZ LYS 107 HZ3 LYS 107 -27.044 38.029 -26.141 Start of MODEL 10 1 1H GLY 1 H1 GLY 1 -7.555 -1.015 -1.840 2 2H GLY 1 H2 GLY 1 -6.260 -1.242 -2.818 3 3H GLY 1 H3 GLY 1 -6.489 -2.204 -1.501 4 1HA GLY 1 HA2 GLY 1 -4.745 -0.541 -1.044 5 2HA GLY 1 HA3 GLY 1 -5.961 0.669 -1.404 6 H LYS 2 H LYS 2 -4.623 0.623 1.034 7 HA LYS 2 HA LYS 2 -6.818 0.208 2.996 8 1HB LYS 2 HB2 LYS 2 -4.057 -1.154 3.086 9 2HB LYS 2 HB3 LYS 2 -4.984 -0.804 4.567 10 1HG LYS 2 HG2 LYS 2 -6.910 -2.090 3.588 11 2HG LYS 2 HG3 LYS 2 -5.804 -2.632 2.294 12 1HD LYS 2 HD2 LYS 2 -4.305 -3.599 3.992 13 2HD LYS 2 HD3 LYS 2 -5.317 -2.986 5.284 14 1HE LYS 2 HE2 LYS 2 -5.791 -5.307 5.043 15 2HE LYS 2 HE3 LYS 2 -7.187 -4.423 4.432 16 1HZ LYS 2 HZ1 LYS 2 -5.056 -5.606 2.735 17 2HZ LYS 2 HZ2 LYS 2 -6.499 -6.303 2.972 18 3HZ LYS 2 HZ3 LYS 2 -6.388 -4.868 2.174 19 H ASP 3 H ASP 3 -6.216 1.052 5.137 20 HA ASP 3 HA ASP 3 -4.742 3.621 5.018 21 1HB ASP 3 HB2 ASP 3 -5.952 4.218 6.976 22 2HB ASP 3 HB3 ASP 3 -7.116 3.524 5.854 23 H ILE 4 H ILE 4 -3.612 0.663 5.419 24 HA ILE 4 HA ILE 4 -2.146 0.510 7.819 25 HB ILE 4 HB ILE 4 -1.478 -0.388 4.987 26 1HG1 ILE 4 2HG1 ILE 4 -2.219 -1.864 7.543 27 2HG1 ILE 4 3HG1 ILE 4 -3.358 -1.446 6.298 28 1HG2 ILE 4 1HG2 ILE 4 0.380 -1.724 5.944 29 2HG2 ILE 4 2HG2 ILE 4 0.700 -0.016 6.056 30 3HG2 ILE 4 3HG2 ILE 4 0.179 -0.909 7.499 31 1HD1 ILE 4 1HD1 ILE 4 -1.999 -2.853 4.644 32 2HD1 ILE 4 2HD1 ILE 4 -1.066 -3.434 6.036 33 3HD1 ILE 4 3HD1 ILE 4 -2.790 -3.742 5.980 34 H GLN 5 H GLN 5 -0.346 1.518 8.595 35 HA GLN 5 HA GLN 5 0.259 4.142 7.455 36 1HB GLN 5 HB2 GLN 5 1.182 2.842 10.049 37 2HB GLN 5 HB3 GLN 5 1.456 4.532 9.603 38 1HG GLN 5 HG2 GLN 5 -1.303 3.252 9.944 39 2HG GLN 5 HG3 GLN 5 -0.483 4.214 11.142 40 1HE2 GLN 5 1HE2 GLN 5 -2.398 6.193 8.171 41 2HE2 GLN 5 2HE2 GLN 5 -2.469 4.429 8.251 42 H VAL 6 H VAL 6 1.216 2.065 5.902 43 HA VAL 6 HA VAL 6 4.006 2.918 5.466 44 HB VAL 6 HB VAL 6 3.367 -0.056 5.244 45 1HG1 VAL 6 1HG1 VAL 6 6.026 1.436 5.613 46 2HG1 VAL 6 2HG1 VAL 6 5.823 -0.302 5.381 47 3HG1 VAL 6 3HG1 VAL 6 5.437 0.809 4.066 48 1HG2 VAL 6 1HG2 VAL 6 3.071 0.388 7.651 49 2HG2 VAL 6 2HG2 VAL 6 4.540 -0.532 7.354 50 3HG2 VAL 6 3HG2 VAL 6 4.674 1.184 7.727 51 H ILE 7 H ILE 7 1.447 3.465 4.421 52 HA ILE 7 HA ILE 7 1.675 2.789 1.501 53 HB ILE 7 HB ILE 7 -0.845 3.199 3.171 54 1HG1 ILE 7 2HG1 ILE 7 0.102 0.980 3.568 55 2HG1 ILE 7 3HG1 ILE 7 -1.424 0.894 2.748 56 1HG2 ILE 7 1HG2 ILE 7 -1.410 4.055 1.037 57 2HG2 ILE 7 2HG2 ILE 7 -0.599 2.718 0.163 58 3HG2 ILE 7 3HG2 ILE 7 -2.095 2.466 1.074 59 1HD1 ILE 7 1HD1 ILE 7 0.246 -0.734 1.862 60 2HD1 ILE 7 2HD1 ILE 7 -0.285 0.393 0.602 61 3HD1 ILE 7 3HD1 ILE 7 1.305 0.592 1.363 62 H VAL 8 H VAL 8 0.875 4.525 0.086 63 HA VAL 8 HA VAL 8 1.530 7.194 1.111 64 HB VAL 8 HB VAL 8 0.646 6.476 -1.711 65 1HG1 VAL 8 1HG1 VAL 8 1.860 8.566 -2.263 66 2HG1 VAL 8 2HG1 VAL 8 0.587 8.920 -1.098 67 3HG1 VAL 8 3HG1 VAL 8 2.270 8.797 -0.559 68 1HG2 VAL 8 1HG2 VAL 8 3.454 6.608 -0.520 69 2HG2 VAL 8 2HG2 VAL 8 2.684 5.164 -1.181 70 3HG2 VAL 8 3HG2 VAL 8 3.051 6.488 -2.255 71 H ASN 9 H ASN 9 -0.152 7.120 2.654 72 HA ASN 9 HA ASN 9 -2.971 7.104 1.882 73 1HB ASN 9 HB2 ASN 9 -3.320 7.285 4.358 74 2HB ASN 9 HB3 ASN 9 -2.578 5.808 3.738 75 1HD2 ASN 9 1HD2 ASN 9 -0.132 8.355 5.861 76 2HD2 ASN 9 2HD2 ASN 9 -1.406 9.050 4.868 77 H VAL 10 H VAL 10 -3.088 8.944 0.554 78 HA VAL 10 HA VAL 10 -2.496 11.599 1.666 79 HB VAL 10 HB VAL 10 -3.589 10.930 -1.057 80 1HG1 VAL 10 1HG1 VAL 10 -2.664 13.192 -1.623 81 2HG1 VAL 10 2HG1 VAL 10 -3.948 13.306 -0.410 82 3HG1 VAL 10 3HG1 VAL 10 -2.240 13.413 0.066 83 1HG2 VAL 10 1HG2 VAL 10 -1.419 9.874 -0.903 84 2HG2 VAL 10 2HG2 VAL 10 -1.241 11.370 -1.843 85 3HG2 VAL 10 3HG2 VAL 10 -0.703 11.317 -0.147 86 HA PRO 11 HA PRO 11 -6.778 12.222 3.122 87 1HB PRO 11 HB2 PRO 11 -5.784 15.066 2.963 88 2HB PRO 11 HB3 PRO 11 -6.770 14.282 4.266 89 1HG PRO 11 HG2 PRO 11 -4.165 14.619 4.666 90 2HG PRO 11 HG3 PRO 11 -4.888 13.002 5.010 91 1HD PRO 11 HD2 PRO 11 -3.373 13.913 2.516 92 2HD PRO 11 HD3 PRO 11 -3.143 12.432 3.508 93 HA PRO 12 HA PRO 12 -8.938 13.792 -0.542 94 1HB PRO 12 HB2 PRO 12 -11.365 14.413 0.403 95 2HB PRO 12 HB3 PRO 12 -10.725 12.760 0.573 96 1HG PRO 12 HG2 PRO 12 -10.849 14.947 2.647 97 2HG PRO 12 HG3 PRO 12 -11.160 13.201 2.834 98 1HD PRO 12 HD2 PRO 12 -8.761 14.547 3.376 99 2HD PRO 12 HD3 PRO 12 -8.910 12.773 3.220 100 H SER 13 H SER 13 -7.459 15.546 -0.964 101 HA SER 13 HA SER 13 -7.624 18.068 0.513 102 1HB SER 13 HB2 SER 13 -5.917 17.175 -1.828 103 2HB SER 13 HB3 SER 13 -5.731 18.726 -0.976 104 HG SER 13 HG SER 13 -4.327 17.099 -0.130 105 H VAL 14 H VAL 14 -10.076 18.017 -0.343 106 HA VAL 14 HA VAL 14 -10.507 19.005 -2.984 107 HB VAL 14 HB VAL 14 -12.248 17.850 -1.806 108 1HG1 VAL 14 1HG1 VAL 14 -12.579 20.303 -0.082 109 2HG1 VAL 14 2HG1 VAL 14 -13.649 18.894 -0.099 110 3HG1 VAL 14 3HG1 VAL 14 -12.006 18.712 0.496 111 1HG2 VAL 14 1HG2 VAL 14 -14.120 19.198 -2.487 112 2HG2 VAL 14 2HG2 VAL 14 -13.183 20.686 -2.355 113 3HG2 VAL 14 3HG2 VAL 14 -12.819 19.528 -3.636 114 H ARG 15 H ARG 15 -10.631 20.913 -3.853 115 HA ARG 15 HA ARG 15 -10.375 23.439 -2.280 116 1HB ARG 15 HB2 ARG 15 -8.508 22.419 -4.434 117 2HB ARG 15 HB3 ARG 15 -8.633 24.138 -4.043 118 1HG ARG 15 HG2 ARG 15 -8.023 23.706 -1.736 119 2HG ARG 15 HG3 ARG 15 -7.918 21.961 -2.050 120 1HD ARG 15 HD2 ARG 15 -6.154 22.376 -3.730 121 2HD ARG 15 HD3 ARG 15 -6.197 24.107 -3.329 122 HE ARG 15 HE ARG 15 -5.813 22.510 -0.960 123 1HH1 ARG 15 1HH1 ARG 15 -4.000 23.727 -3.734 124 2HH1 ARG 15 2HH1 ARG 15 -2.502 23.742 -2.862 125 1HH2 ARG 15 1HH2 ARG 15 -2.418 23.138 -0.747 126 2HH2 ARG 15 2HH2 ARG 15 -3.836 22.580 0.127 127 H ALA 16 H ALA 16 -10.661 25.360 -3.713 128 HA ALA 16 HA ALA 16 -12.858 24.909 -5.698 129 1HB ALA 16 HB1 ALA 16 -13.232 27.335 -5.451 130 2HB ALA 16 HB2 ALA 16 -13.372 26.466 -3.918 131 3HB ALA 16 HB3 ALA 16 -11.890 27.422 -4.274 132 H ARG 17 H ARG 17 -12.465 25.046 -7.816 133 HA ARG 17 HA ARG 17 -9.815 25.849 -8.830 134 1HB ARG 17 HB2 ARG 17 -12.314 25.042 -10.372 135 2HB ARG 17 HB3 ARG 17 -10.791 25.473 -11.105 136 1HG ARG 17 HG2 ARG 17 -9.823 23.582 -9.545 137 2HG ARG 17 HG3 ARG 17 -11.509 23.051 -9.459 138 1HD ARG 17 HD2 ARG 17 -11.310 23.379 -12.150 139 2HD ARG 17 HD3 ARG 17 -9.604 23.149 -11.807 140 HE ARG 17 HE ARG 17 -11.708 21.221 -10.888 141 1HH1 ARG 17 1HH1 ARG 17 -11.436 19.045 -11.374 142 2HH1 ARG 17 2HH1 ARG 17 -10.080 18.543 -12.334 143 1HH2 ARG 17 1HH2 ARG 17 -8.764 21.664 -12.786 144 2HH2 ARG 17 2HH2 ARG 17 -8.604 19.957 -13.073 145 H GLN 18 H GLN 18 -12.860 27.495 -8.465 146 HA GLN 18 HA GLN 18 -11.558 30.048 -8.899 147 1HB GLN 18 HB2 GLN 18 -12.186 29.622 -11.197 148 2HB GLN 18 HB3 GLN 18 -13.785 29.053 -10.722 149 1HG GLN 18 HG2 GLN 18 -13.903 31.279 -11.799 150 2HG GLN 18 HG3 GLN 18 -14.543 31.259 -10.168 151 1HE2 GLN 18 1HE2 GLN 18 -12.729 34.363 -10.160 152 2HE2 GLN 18 2HE2 GLN 18 -14.297 33.667 -10.485 153 H SER 19 H SER 19 -12.438 31.512 -7.473 154 HA SER 19 HA SER 19 -14.282 30.533 -5.512 155 1HB SER 19 HB2 SER 19 -13.341 33.364 -5.963 156 2HB SER 19 HB3 SER 19 -13.988 32.692 -4.437 157 HG SER 19 HG SER 19 -11.645 32.780 -4.561 158 H THR 20 H THR 20 -14.891 32.450 -8.368 159 HA THR 20 HA THR 20 -17.801 32.619 -7.806 160 HB THR 20 HB THR 20 -16.088 35.097 -8.241 161 HG1 THR 20 HG1 THR 20 -16.800 35.679 -6.254 162 1HG2 THR 20 1HG2 THR 20 -18.229 35.384 -9.431 163 2HG2 THR 20 2HG2 THR 20 -19.124 34.751 -8.025 164 3HG2 THR 20 3HG2 THR 20 -18.305 36.319 -7.932 165 H MET 21 H MET 21 -18.683 31.832 -9.567 166 HA MET 21 HA MET 21 -17.533 32.280 -12.267 167 1HB MET 21 HB2 MET 21 -19.402 30.212 -11.029 168 2HB MET 21 HB3 MET 21 -19.211 30.369 -12.768 169 1HG MET 21 HG2 MET 21 -16.970 29.798 -10.776 170 2HG MET 21 HG3 MET 21 -17.808 28.571 -11.739 171 1HE MET 21 HE1 MET 21 -18.006 30.037 -14.724 172 2HE MET 21 HE2 MET 21 -16.561 29.194 -15.363 173 3HE MET 21 HE3 MET 21 -17.673 28.346 -14.294 174 H ASN 22 H ASN 22 -18.996 32.765 -13.981 175 HA ASN 22 HA ASN 22 -21.602 34.010 -13.329 176 1HB ASN 22 HB2 ASN 22 -19.295 35.359 -14.791 177 2HB ASN 22 HB3 ASN 22 -20.954 35.928 -14.795 178 1HD2 ASN 22 1HD2 ASN 22 -18.590 36.906 -11.686 179 2HD2 ASN 22 2HD2 ASN 22 -17.997 35.909 -13.005 180 H ALA 23 H ALA 23 -23.029 34.093 -15.133 181 HA ALA 23 HA ALA 23 -22.368 32.980 -17.752 182 1HB ALA 23 HB1 ALA 23 -24.133 31.479 -15.796 183 2HB ALA 23 HB2 ALA 23 -23.860 31.052 -17.501 184 3HB ALA 23 HB3 ALA 23 -22.496 30.987 -16.357 185 H THR 24 H THR 24 -24.234 32.954 -19.221 186 HA THR 24 HA THR 24 -26.011 35.270 -18.648 187 HB THR 24 HB THR 24 -25.615 33.955 -21.345 188 HG1 THR 24 HG1 THR 24 -23.935 35.420 -21.686 189 1HG2 THR 24 1HG2 THR 24 -26.272 36.784 -20.395 190 2HG2 THR 24 2HG2 THR 24 -25.942 36.350 -22.069 191 3HG2 THR 24 3HG2 THR 24 -27.342 35.650 -21.253 192 H ALA 25 H ALA 25 -28.142 35.064 -18.357 193 HA ALA 25 HA ALA 25 -29.523 32.511 -18.904 194 1HB ALA 25 HB1 ALA 25 -31.476 33.714 -17.881 195 2HB ALA 25 HB2 ALA 25 -30.071 33.553 -16.820 196 3HB ALA 25 HB3 ALA 25 -30.397 35.105 -17.623 197 H ASN 26 H ASN 26 -31.737 32.668 -19.933 198 HA ASN 26 HA ASN 26 -33.118 32.942 -21.663 199 1HB ASN 26 HB2 ASN 26 -31.735 35.536 -22.407 200 2HB ASN 26 HB3 ASN 26 -33.336 34.992 -22.869 201 1HD2 ASN 26 1HD2 ASN 26 -32.939 36.918 -19.370 202 2HD2 ASN 26 2HD2 ASN 26 -31.544 36.631 -20.420 203 H LEU 27 H LEU 27 -29.823 32.567 -22.183 204 HA LEU 27 HA LEU 27 -30.065 32.197 -25.093 205 1HB LEU 27 HB2 LEU 27 -27.642 32.171 -23.244 206 2HB LEU 27 HB3 LEU 27 -27.581 31.987 -25.004 207 HG LEU 27 HG LEU 27 -28.431 34.473 -23.466 208 1HD1 LEU 27 1HD1 LEU 27 -26.115 33.946 -25.373 209 2HD1 LEU 27 2HD1 LEU 27 -26.431 35.464 -24.482 210 3HD1 LEU 27 3HD1 LEU 27 -25.979 33.989 -23.607 211 1HD2 LEU 27 1HD2 LEU 27 -29.807 34.419 -25.484 212 2HD2 LEU 27 2HD2 LEU 27 -28.454 35.568 -25.759 213 3HD2 LEU 27 3HD2 LEU 27 -28.399 33.955 -26.473 214 H SER 28 H SER 28 -30.380 30.222 -22.361 215 HA SER 28 HA SER 28 -30.267 28.013 -21.920 216 1HB SER 28 HB2 SER 28 -31.098 26.466 -23.500 217 2HB SER 28 HB3 SER 28 -31.996 27.968 -23.664 218 HG SER 28 HG SER 28 -30.205 28.337 -25.387 219 H GLN 29 H GLN 29 -27.707 29.280 -22.359 220 HA GLN 29 HA GLN 29 -25.985 27.548 -23.890 221 1HB GLN 29 HB2 GLN 29 -24.181 28.933 -23.010 222 2HB GLN 29 HB3 GLN 29 -25.550 29.920 -23.567 223 1HG GLN 29 HG2 GLN 29 -26.281 30.315 -21.255 224 2HG GLN 29 HG3 GLN 29 -25.015 29.249 -20.650 225 1HE2 GLN 29 1HE2 GLN 29 -23.498 32.709 -22.253 226 2HE2 GLN 29 2HE2 GLN 29 -24.633 31.804 -23.233 227 H SER 30 H SER 30 -23.984 26.623 -23.002 228 HA SER 30 HA SER 30 -24.424 24.968 -20.565 229 1HB SER 30 HB2 SER 30 -22.816 24.288 -23.066 230 2HB SER 30 HB3 SER 30 -22.924 23.289 -21.608 231 HG SER 30 HG SER 30 -24.443 22.596 -23.185 232 H VAL 31 H VAL 31 -22.703 24.705 -19.174 233 HA VAL 31 HA VAL 31 -20.351 26.528 -19.468 234 HB VAL 31 HB VAL 31 -22.437 26.816 -17.244 235 1HG1 VAL 31 1HG1 VAL 31 -20.186 27.241 -16.328 236 2HG1 VAL 31 2HG1 VAL 31 -19.792 28.308 -17.679 237 3HG1 VAL 31 3HG1 VAL 31 -21.040 28.750 -16.489 238 1HG2 VAL 31 1HG2 VAL 31 -21.678 28.734 -19.468 239 2HG2 VAL 31 2HG2 VAL 31 -23.231 27.914 -19.243 240 3HG2 VAL 31 3HG2 VAL 31 -22.699 29.126 -18.069 241 H THR 32 H THR 32 -18.547 25.769 -18.324 242 HA THR 32 HA THR 32 -18.992 23.459 -16.448 243 HB THR 32 HB THR 32 -16.410 24.283 -17.813 244 HG1 THR 32 HG1 THR 32 -16.783 22.706 -19.241 245 1HG2 THR 32 1HG2 THR 32 -17.236 21.740 -16.337 246 2HG2 THR 32 2HG2 THR 32 -15.725 21.943 -17.262 247 3HG2 THR 32 3HG2 THR 32 -15.983 22.925 -15.831 248 H LEU 33 H LEU 33 -18.300 23.507 -14.405 249 HA LEU 33 HA LEU 33 -16.377 25.527 -13.428 250 1HB LEU 33 HB2 LEU 33 -17.745 26.209 -11.528 251 2HB LEU 33 HB3 LEU 33 -18.511 26.604 -13.060 252 HG LEU 33 HG LEU 33 -19.994 24.510 -12.704 253 1HD1 LEU 33 1HD1 LEU 33 -18.782 23.372 -10.896 254 2HD1 LEU 33 2HD1 LEU 33 -18.917 24.822 -9.870 255 3HD1 LEU 33 3HD1 LEU 33 -20.366 23.911 -10.330 256 1HD2 LEU 33 1HD2 LEU 33 -21.482 25.728 -11.201 257 2HD2 LEU 33 2HD2 LEU 33 -20.154 26.865 -10.787 258 3HD2 LEU 33 3HD2 LEU 33 -20.813 26.792 -12.448 259 H ALA 34 H ALA 34 -15.790 24.814 -10.958 260 HA ALA 34 HA ALA 34 -16.106 21.933 -10.584 261 1HB ALA 34 HB1 ALA 34 -13.771 21.341 -10.991 262 2HB ALA 34 HB2 ALA 34 -14.443 22.087 -12.471 263 3HB ALA 34 HB3 ALA 34 -13.401 23.027 -11.391 264 H CYS 35 H CYS 35 -15.483 21.096 -8.737 265 HA CYS 35 HA CYS 35 -13.852 22.715 -6.816 266 1HB CYS 35 HB2 CYS 35 -16.205 22.623 -6.127 267 2HB CYS 35 HB3 CYS 35 -16.138 20.858 -6.101 268 H ASP 36 H ASP 36 -11.848 21.837 -6.930 269 HA ASP 36 HA ASP 36 -11.498 19.147 -7.987 270 1HB ASP 36 HB2 ASP 36 -9.180 19.630 -8.192 271 2HB ASP 36 HB3 ASP 36 -10.180 20.874 -8.923 272 H ALA 37 H ALA 37 -12.264 17.763 -6.465 273 HA ALA 37 HA ALA 37 -10.625 17.336 -4.027 274 1HB ALA 37 HB1 ALA 37 -12.976 15.736 -5.099 275 2HB ALA 37 HB2 ALA 37 -12.218 15.609 -3.478 276 3HB ALA 37 HB3 ALA 37 -13.135 17.062 -3.917 277 H ASP 38 H ASP 38 -9.238 15.754 -3.784 278 HA ASP 38 HA ASP 38 -8.989 13.435 -5.564 279 1HB ASP 38 HB2 ASP 38 -7.800 15.218 -6.855 280 2HB ASP 38 HB3 ASP 38 -6.854 15.622 -5.433 281 H GLY 39 H GLY 39 -7.483 11.883 -4.606 282 1HA GLY 39 HA2 GLY 39 -5.895 12.196 -2.289 283 2HA GLY 39 HA3 GLY 39 -7.501 11.757 -1.722 284 H PHE 40 H PHE 40 -5.638 10.025 -1.036 285 HA PHE 40 HA PHE 40 -5.937 7.675 -2.838 286 1HB PHE 40 HB2 PHE 40 -3.277 8.742 -1.901 287 2HB PHE 40 HB3 PHE 40 -3.542 7.163 -2.596 288 HD1 PHE 40 HD1 PHE 40 -3.252 10.755 -3.360 289 HD2 PHE 40 HD2 PHE 40 -4.239 6.855 -4.964 290 HE1 PHE 40 HE1 PHE 40 -3.024 11.621 -5.676 291 HE2 PHE 40 HE2 PHE 40 -3.959 7.744 -7.280 292 HZ PHE 40 HZ PHE 40 -3.381 10.123 -7.619 293 HA PRO 41 HA PRO 41 -6.639 5.519 -2.588 294 1HB PRO 41 HB2 PRO 41 -8.749 4.838 -0.533 295 2HB PRO 41 HB3 PRO 41 -8.107 3.838 -1.861 296 1HG PRO 41 HG2 PRO 41 -7.205 3.432 0.674 297 2HG PRO 41 HG3 PRO 41 -6.039 3.465 -0.681 298 1HD PRO 41 HD2 PRO 41 -6.718 5.657 1.274 299 2HD PRO 41 HD3 PRO 41 -5.099 5.139 0.672 300 H GLU 42 H GLU 42 -8.488 5.838 -3.857 301 HA GLU 42 HA GLU 42 -9.125 8.403 -4.370 302 1HB GLU 42 HB2 GLU 42 -11.010 6.070 -4.928 303 2HB GLU 42 HB3 GLU 42 -11.053 7.636 -5.709 304 1HG GLU 42 HG2 GLU 42 -9.912 6.469 -7.292 305 2HG GLU 42 HG3 GLU 42 -8.570 7.140 -6.400 306 HA PRO 43 HA PRO 43 -11.924 9.622 -1.166 307 1HB PRO 43 HB2 PRO 43 -12.277 12.249 -1.716 308 2HB PRO 43 HB3 PRO 43 -10.634 11.583 -1.385 309 1HG PRO 43 HG2 PRO 43 -11.893 12.042 -4.096 310 2HG PRO 43 HG3 PRO 43 -10.311 12.614 -3.488 311 1HD PRO 43 HD2 PRO 43 -10.554 10.326 -4.947 312 2HD PRO 43 HD3 PRO 43 -9.362 10.468 -3.600 313 H THR 44 H THR 44 -13.980 10.394 -0.634 314 HA THR 44 HA THR 44 -16.087 10.220 -2.769 315 HB THR 44 HB THR 44 -16.313 9.886 0.255 316 HG1 THR 44 HG1 THR 44 -16.772 7.760 -0.263 317 1HG2 THR 44 1HG2 THR 44 -18.374 10.873 -0.570 318 2HG2 THR 44 2HG2 THR 44 -18.434 9.702 -1.945 319 3HG2 THR 44 3HG2 THR 44 -18.693 9.161 -0.268 320 H MET 45 H MET 45 -17.138 12.170 -3.234 321 HA MET 45 HA MET 45 -17.076 14.336 -1.191 322 1HB MET 45 HB2 MET 45 -16.091 15.905 -2.592 323 2HB MET 45 HB3 MET 45 -15.104 14.461 -2.806 324 1HG MET 45 HG2 MET 45 -15.268 15.081 -4.951 325 2HG MET 45 HG3 MET 45 -16.665 14.007 -4.865 326 1HE MET 45 HE1 MET 45 -15.293 17.575 -5.319 327 2HE MET 45 HE2 MET 45 -16.687 18.660 -5.102 328 3HE MET 45 HE3 MET 45 -16.034 17.794 -3.716 329 H THR 46 H THR 46 -18.633 15.973 -1.500 330 HA THR 46 HA THR 46 -20.635 15.833 -3.654 331 HB THR 46 HB THR 46 -22.554 15.887 -2.083 332 HG1 THR 46 HG1 THR 46 -22.284 15.172 0.004 333 1HG2 THR 46 1HG2 THR 46 -21.073 13.252 -1.780 334 2HG2 THR 46 2HG2 THR 46 -22.828 13.528 -1.760 335 3HG2 THR 46 3HG2 THR 46 -21.919 13.766 -3.266 336 H TRP 47 H TRP 47 -22.358 17.624 -3.169 337 HA TRP 47 HA TRP 47 -21.445 19.989 -1.831 338 1HB TRP 47 HB2 TRP 47 -21.084 21.314 -3.990 339 2HB TRP 47 HB3 TRP 47 -19.846 20.254 -3.398 340 HD1 TRP 47 HD1 TRP 47 -21.264 17.664 -5.178 341 HE1 TRP 47 HE1 TRP 47 -20.080 17.423 -7.413 342 HE3 TRP 47 HE3 TRP 47 -19.443 22.408 -5.593 343 HZ2 TRP 47 HZ2 TRP 47 -18.488 19.120 -9.222 344 HZ3 TRP 47 HZ3 TRP 47 -18.309 23.141 -7.705 345 HH2 TRP 47 HH2 TRP 47 -17.987 21.500 -9.551 346 H THR 48 H THR 48 -22.730 21.998 -2.469 347 HA THR 48 HA THR 48 -25.546 21.126 -2.902 348 HB THR 48 HB THR 48 -26.282 22.634 -1.181 349 HG1 THR 48 HG1 THR 48 -24.742 23.717 0.094 350 1HG2 THR 48 1HG2 THR 48 -23.978 20.987 -0.061 351 2HG2 THR 48 2HG2 THR 48 -25.446 21.544 0.780 352 3HG2 THR 48 3HG2 THR 48 -25.569 20.320 -0.516 353 H LYS 49 H LYS 49 -27.045 22.653 -3.523 354 HA LYS 49 HA LYS 49 -26.053 24.839 -5.267 355 1HB LYS 49 HB2 LYS 49 -27.236 22.738 -6.183 356 2HB LYS 49 HB3 LYS 49 -28.714 23.381 -5.503 357 1HG LYS 49 HG2 LYS 49 -28.527 25.393 -6.880 358 2HG LYS 49 HG3 LYS 49 -26.925 24.862 -7.446 359 1HD LYS 49 HD2 LYS 49 -28.025 22.848 -8.494 360 2HD LYS 49 HD3 LYS 49 -29.594 23.459 -7.953 361 1HE LYS 49 HE2 LYS 49 -29.264 23.981 -10.310 362 2HE LYS 49 HE3 LYS 49 -29.338 25.482 -9.363 363 1HZ LYS 49 HZ1 LYS 49 -26.741 24.214 -10.082 364 2HZ LYS 49 HZ2 LYS 49 -27.503 25.263 -11.095 365 3HZ LYS 49 HZ3 LYS 49 -27.001 25.763 -9.615 366 H ASP 50 H ASP 50 -25.954 25.852 -3.017 367 HA ASP 50 HA ASP 50 -26.569 27.456 -1.573 368 1HB ASP 50 HB2 ASP 50 -27.830 28.423 -3.531 369 2HB ASP 50 HB3 ASP 50 -29.299 27.698 -2.864 370 H GLY 51 H GLY 51 -28.031 24.485 -1.689 371 1HA GLY 51 HA2 GLY 51 -28.327 24.156 1.076 372 2HA GLY 51 HA3 GLY 51 -29.919 24.676 0.524 373 H GLU 52 H GLU 52 -29.705 23.201 -2.075 374 HA GLU 52 HA GLU 52 -30.333 20.490 -1.050 375 1HB GLU 52 HB2 GLU 52 -31.428 20.114 -3.196 376 2HB GLU 52 HB3 GLU 52 -32.098 21.487 -2.318 377 1HG GLU 52 HG2 GLU 52 -30.836 23.027 -3.805 378 2HG GLU 52 HG3 GLU 52 -30.194 21.627 -4.688 379 HA PRO 53 HA PRO 53 -26.557 19.025 -2.588 380 1HB PRO 53 HB2 PRO 53 -26.832 16.353 -2.678 381 2HB PRO 53 HB3 PRO 53 -26.982 17.277 -1.162 382 1HG PRO 53 HG2 PRO 53 -29.228 16.290 -2.970 383 2HG PRO 53 HG3 PRO 53 -29.055 16.125 -1.188 384 1HD PRO 53 HD2 PRO 53 -30.536 18.107 -2.346 385 2HD PRO 53 HD3 PRO 53 -29.632 18.361 -0.840 386 H ILE 54 H ILE 54 -25.406 19.036 -4.330 387 HA ILE 54 HA ILE 54 -26.276 18.204 -7.015 388 HB ILE 54 HB ILE 54 -23.684 19.441 -6.004 389 1HG1 ILE 54 2HG1 ILE 54 -26.144 20.825 -7.212 390 2HG1 ILE 54 3HG1 ILE 54 -25.654 20.932 -5.525 391 1HG2 ILE 54 1HG2 ILE 54 -23.589 18.361 -8.345 392 2HG2 ILE 54 2HG2 ILE 54 -24.714 19.612 -8.859 393 3HG2 ILE 54 3HG2 ILE 54 -23.087 20.010 -8.221 394 1HD1 ILE 54 1HD1 ILE 54 -24.104 22.072 -7.844 395 2HD1 ILE 54 2HD1 ILE 54 -24.949 22.955 -6.568 396 3HD1 ILE 54 3HD1 ILE 54 -23.511 21.968 -6.167 397 H GLU 55 H GLU 55 -26.386 16.075 -5.372 398 HA GLU 55 HA GLU 55 -23.935 14.599 -5.129 399 1HB GLU 55 HB2 GLU 55 -25.506 12.692 -4.582 400 2HB GLU 55 HB3 GLU 55 -25.481 14.136 -3.524 401 1HG GLU 55 HG2 GLU 55 -27.633 14.895 -4.580 402 2HG GLU 55 HG3 GLU 55 -27.629 13.424 -5.576 403 H GLN 56 H GLN 56 -22.840 14.031 -6.816 404 HA GLN 56 HA GLN 56 -23.599 13.375 -9.386 405 1HB GLN 56 HB2 GLN 56 -21.217 12.262 -7.835 406 2HB GLN 56 HB3 GLN 56 -21.376 12.334 -9.593 407 1HG GLN 56 HG2 GLN 56 -20.119 14.153 -9.353 408 2HG GLN 56 HG3 GLN 56 -21.670 14.975 -9.158 409 1HE2 GLN 56 1HE2 GLN 56 -18.998 15.654 -6.390 410 2HE2 GLN 56 2HE2 GLN 56 -18.803 15.539 -8.123 411 H GLU 57 H GLU 57 -24.185 11.398 -6.668 412 HA GLU 57 HA GLU 57 -24.066 8.814 -8.028 413 1HB GLU 57 HB2 GLU 57 -24.931 9.733 -5.255 414 2HB GLU 57 HB3 GLU 57 -24.895 8.040 -5.727 415 1HG GLU 57 HG2 GLU 57 -22.429 9.824 -5.691 416 2HG GLU 57 HG3 GLU 57 -22.938 8.780 -4.382 417 H ASP 58 H ASP 58 -26.458 11.223 -7.782 418 HA ASP 58 HA ASP 58 -28.449 9.487 -9.030 419 1HB ASP 58 HB2 ASP 58 -28.623 8.957 -6.549 420 2HB ASP 58 HB3 ASP 58 -29.076 10.637 -6.288 421 H ASN 59 H ASN 59 -27.433 12.698 -7.984 422 HA ASN 59 HA ASN 59 -29.780 13.910 -9.364 423 1HB ASN 59 HB2 ASN 59 -29.123 14.718 -7.077 424 2HB ASN 59 HB3 ASN 59 -27.631 15.349 -7.779 425 1HD2 ASN 59 1HD2 ASN 59 -29.096 17.232 -6.596 426 2HD2 ASN 59 2HD2 ASN 59 -29.964 18.180 -7.807 427 H GLU 60 H GLU 60 -29.662 14.606 -11.373 428 HA GLU 60 HA GLU 60 -27.128 15.448 -12.676 429 1HB GLU 60 HB2 GLU 60 -29.000 13.236 -13.618 430 2HB GLU 60 HB3 GLU 60 -27.674 13.910 -14.593 431 1HG GLU 60 HG2 GLU 60 -26.025 13.082 -12.913 432 2HG GLU 60 HG3 GLU 60 -27.333 12.284 -12.038 433 H GLU 61 H GLU 61 -30.035 16.415 -11.931 434 HA GLU 61 HA GLU 61 -31.847 16.736 -13.876 435 1HB GLU 61 HB2 GLU 61 -30.962 18.725 -11.753 436 2HB GLU 61 HB3 GLU 61 -32.330 19.059 -12.779 437 1HG GLU 61 HG2 GLU 61 -32.150 16.490 -11.136 438 2HG GLU 61 HG3 GLU 61 -32.879 17.992 -10.539 439 H LYS 62 H LYS 62 -28.954 18.787 -13.812 440 HA LYS 62 HA LYS 62 -29.223 19.110 -16.673 441 1HB LYS 62 HB2 LYS 62 -29.165 21.561 -16.830 442 2HB LYS 62 HB3 LYS 62 -30.660 20.960 -16.175 443 1HG LYS 62 HG2 LYS 62 -30.093 21.665 -13.939 444 2HG LYS 62 HG3 LYS 62 -28.422 22.044 -14.424 445 1HD LYS 62 HD2 LYS 62 -29.742 24.089 -14.166 446 2HD LYS 62 HD3 LYS 62 -29.177 23.868 -15.821 447 1HE LYS 62 HE2 LYS 62 -31.450 22.964 -16.427 448 2HE LYS 62 HE3 LYS 62 -31.973 23.284 -14.759 449 1HZ LYS 62 HZ1 LYS 62 -31.078 25.349 -16.718 450 2HZ LYS 62 HZ2 LYS 62 -32.612 25.107 -16.192 451 3HZ LYS 62 HZ3 LYS 62 -31.479 25.661 -15.152 452 H TYR 63 H TYR 63 -27.343 17.731 -15.365 453 HA TYR 63 HA TYR 63 -24.944 18.997 -16.313 454 1HB TYR 63 HB2 TYR 63 -23.830 18.783 -13.952 455 2HB TYR 63 HB3 TYR 63 -24.617 20.220 -14.456 456 HD1 TYR 63 HD1 TYR 63 -25.218 17.128 -12.378 457 HD2 TYR 63 HD2 TYR 63 -26.355 21.215 -13.243 458 HE1 TYR 63 HE1 TYR 63 -26.659 17.165 -10.376 459 HE2 TYR 63 HE2 TYR 63 -27.729 21.240 -11.167 460 HH TYR 63 HH TYR 63 -28.452 20.077 -9.355 461 H SER 64 H SER 64 -23.038 17.896 -16.207 462 HA SER 64 HA SER 64 -22.979 14.959 -15.601 463 1HB SER 64 HB2 SER 64 -22.186 16.267 -18.244 464 2HB SER 64 HB3 SER 64 -21.925 14.584 -17.791 465 HG SER 64 HG SER 64 -24.297 14.452 -17.571 466 H PHE 65 H PHE 65 -20.824 14.192 -15.130 467 HA PHE 65 HA PHE 65 -18.706 16.231 -14.894 468 1HB PHE 65 HB2 PHE 65 -18.586 15.323 -12.549 469 2HB PHE 65 HB3 PHE 65 -20.111 16.092 -13.031 470 HD1 PHE 65 HD1 PHE 65 -18.501 12.729 -12.601 471 HD2 PHE 65 HD2 PHE 65 -22.207 14.960 -12.825 472 HE1 PHE 65 HE1 PHE 65 -19.810 10.638 -12.143 473 HE2 PHE 65 HE2 PHE 65 -23.456 12.908 -12.296 474 HZ PHE 65 HZ PHE 65 -22.274 10.746 -12.007 475 H ASN 66 H ASN 66 -16.712 15.279 -13.826 476 HA ASN 66 HA ASN 66 -15.583 13.321 -15.732 477 1HB ASN 66 HB2 ASN 66 -13.489 14.355 -15.292 478 2HB ASN 66 HB3 ASN 66 -14.641 15.666 -15.403 479 1HD2 ASN 66 1HD2 ASN 66 -12.730 16.627 -12.483 480 2HD2 ASN 66 2HD2 ASN 66 -12.675 16.736 -14.246 481 H TYR 67 H TYR 67 -13.456 12.243 -14.691 482 HA TYR 67 HA TYR 67 -14.487 10.054 -13.128 483 1HB TYR 67 HB2 TYR 67 -11.614 10.655 -13.920 484 2HB TYR 67 HB3 TYR 67 -12.252 9.103 -13.407 485 HD1 TYR 67 HD1 TYR 67 -14.296 8.111 -14.773 486 HD2 TYR 67 HD2 TYR 67 -11.542 11.088 -16.260 487 HE1 TYR 67 HE1 TYR 67 -14.917 7.515 -17.099 488 HE2 TYR 67 HE2 TYR 67 -12.147 10.468 -18.598 489 HH TYR 67 HH TYR 67 -13.442 9.125 -19.929 490 H ASP 68 H ASP 68 -12.891 12.944 -12.114 491 HA ASP 68 HA ASP 68 -12.198 11.909 -9.370 492 1HB ASP 68 HB2 ASP 68 -11.998 14.661 -10.654 493 2HB ASP 68 HB3 ASP 68 -11.479 14.232 -9.003 494 H GLY 69 H GLY 69 -14.928 13.215 -11.047 495 1HA GLY 69 HA2 GLY 69 -17.045 13.743 -10.366 496 2HA GLY 69 HA3 GLY 69 -16.594 13.597 -8.650 497 H SER 70 H SER 70 -14.361 15.599 -10.245 498 HA SER 70 HA SER 70 -15.206 17.825 -8.539 499 1HB SER 70 HB2 SER 70 -13.032 18.781 -9.288 500 2HB SER 70 HB3 SER 70 -12.892 17.180 -8.544 501 HG SER 70 HG SER 70 -11.711 16.928 -10.306 502 H GLU 71 H GLU 71 -14.793 17.440 -12.081 503 HA GLU 71 HA GLU 71 -15.632 20.213 -12.556 504 1HB GLU 71 HB2 GLU 71 -14.994 17.950 -14.466 505 2HB GLU 71 HB3 GLU 71 -15.482 19.574 -14.971 506 1HG GLU 71 HG2 GLU 71 -13.583 20.601 -13.961 507 2HG GLU 71 HG3 GLU 71 -13.039 19.086 -13.251 508 H LEU 72 H LEU 72 -17.657 20.826 -12.482 509 HA LEU 72 HA LEU 72 -19.819 18.912 -13.213 510 1HB LEU 72 HB2 LEU 72 -19.895 20.089 -10.957 511 2HB LEU 72 HB3 LEU 72 -20.083 21.608 -11.814 512 HG LEU 72 HG LEU 72 -22.154 20.526 -12.964 513 1HD1 LEU 72 1HD1 LEU 72 -23.201 18.706 -11.564 514 2HD1 LEU 72 2HD1 LEU 72 -21.736 18.156 -12.403 515 3HD1 LEU 72 3HD1 LEU 72 -21.694 18.539 -10.659 516 1HD2 LEU 72 1HD2 LEU 72 -22.380 22.234 -11.251 517 2HD2 LEU 72 2HD2 LEU 72 -23.586 20.955 -10.965 518 3HD2 LEU 72 3HD2 LEU 72 -22.111 21.016 -9.974 519 H ILE 73 H ILE 73 -20.187 19.038 -15.313 520 HA ILE 73 HA ILE 73 -20.107 21.622 -16.767 521 HB ILE 73 HB ILE 73 -20.711 18.879 -17.895 522 1HG1 ILE 73 2HG1 ILE 73 -18.006 20.197 -18.216 523 2HG1 ILE 73 3HG1 ILE 73 -18.306 19.154 -16.808 524 1HG2 ILE 73 1HG2 ILE 73 -21.470 20.983 -19.130 525 2HG2 ILE 73 2HG2 ILE 73 -19.816 21.522 -19.177 526 3HG2 ILE 73 3HG2 ILE 73 -20.268 20.034 -20.053 527 1HD1 ILE 73 1HD1 ILE 73 -17.294 17.899 -18.644 528 2HD1 ILE 73 2HD1 ILE 73 -18.878 17.268 -18.168 529 3HD1 ILE 73 3HD1 ILE 73 -18.720 18.237 -19.647 530 H ILE 74 H ILE 74 -21.871 22.753 -16.813 531 HA ILE 74 HA ILE 74 -24.522 21.546 -16.168 532 HB ILE 74 HB ILE 74 -23.614 24.464 -16.134 533 1HG1 ILE 74 2HG1 ILE 74 -24.209 22.742 -13.675 534 2HG1 ILE 74 3HG1 ILE 74 -22.560 22.959 -14.290 535 1HG2 ILE 74 1HG2 ILE 74 -26.011 24.247 -16.533 536 2HG2 ILE 74 2HG2 ILE 74 -26.189 23.187 -15.137 537 3HG2 ILE 74 3HG2 ILE 74 -25.749 24.875 -14.915 538 1HD1 ILE 74 1HD1 ILE 74 -22.817 24.492 -12.543 539 2HD1 ILE 74 2HD1 ILE 74 -22.808 25.432 -14.042 540 3HD1 ILE 74 3HD1 ILE 74 -24.352 25.145 -13.160 541 H LYS 75 H LYS 75 -26.184 21.818 -17.531 542 HA LYS 75 HA LYS 75 -25.716 23.188 -20.143 543 1HB LYS 75 HB2 LYS 75 -27.191 21.512 -21.211 544 2HB LYS 75 HB3 LYS 75 -25.701 20.839 -20.572 545 1HG LYS 75 HG2 LYS 75 -26.892 19.956 -18.599 546 2HG LYS 75 HG3 LYS 75 -28.405 20.652 -19.205 547 1HD LYS 75 HD2 LYS 75 -28.221 19.217 -21.241 548 2HD LYS 75 HD3 LYS 75 -26.687 18.569 -20.608 549 1HE LYS 75 HE2 LYS 75 -27.957 17.738 -18.599 550 2HE LYS 75 HE3 LYS 75 -29.453 18.323 -19.342 551 1HZ LYS 75 HZ1 LYS 75 -29.163 15.986 -19.828 552 2HZ LYS 75 HZ2 LYS 75 -29.043 16.804 -21.216 553 3HZ LYS 75 HZ3 LYS 75 -27.685 16.236 -20.505 554 H LYS 76 H LYS 76 -27.442 24.101 -21.120 555 HA LYS 76 HA LYS 76 -29.042 25.711 -21.161 556 1HB LYS 76 HB2 LYS 76 -31.337 24.934 -20.827 557 2HB LYS 76 HB3 LYS 76 -30.330 23.867 -21.804 558 1HG LYS 76 HG2 LYS 76 -30.139 22.262 -19.987 559 2HG LYS 76 HG3 LYS 76 -30.920 23.350 -18.842 560 1HD LYS 76 HD2 LYS 76 -32.507 21.660 -19.572 561 2HD LYS 76 HD3 LYS 76 -33.002 23.213 -20.249 562 1HE LYS 76 HE2 LYS 76 -31.963 22.589 -22.431 563 2HE LYS 76 HE3 LYS 76 -31.461 21.043 -21.745 564 1HZ LYS 76 HZ1 LYS 76 -34.246 21.924 -22.110 565 2HZ LYS 76 HZ2 LYS 76 -33.491 20.780 -22.985 566 3HZ LYS 76 HZ3 LYS 76 -33.818 20.517 -21.396 567 H VAL 77 H VAL 77 -27.603 26.754 -19.537 568 HA VAL 77 HA VAL 77 -28.524 27.299 -16.879 569 HB VAL 77 HB VAL 77 -26.752 28.876 -18.803 570 1HG1 VAL 77 1HG1 VAL 77 -27.551 30.525 -17.159 571 2HG1 VAL 77 2HG1 VAL 77 -27.195 29.403 -15.815 572 3HG1 VAL 77 3HG1 VAL 77 -25.897 30.083 -16.782 573 1HG2 VAL 77 1HG2 VAL 77 -24.952 27.971 -17.331 574 2HG2 VAL 77 2HG2 VAL 77 -26.160 27.093 -16.415 575 3HG2 VAL 77 3HG2 VAL 77 -25.868 26.663 -18.110 576 H ASP 78 H ASP 78 -29.705 28.891 -16.020 577 HA ASP 78 HA ASP 78 -30.631 31.191 -17.430 578 1HB ASP 78 HB2 ASP 78 -32.296 29.197 -18.047 579 2HB ASP 78 HB3 ASP 78 -32.949 29.511 -16.444 580 H LYS 79 H LYS 79 -32.521 32.177 -15.704 581 HA LYS 79 HA LYS 79 -30.878 33.085 -13.544 582 1HB LYS 79 HB2 LYS 79 -33.888 33.292 -13.925 583 2HB LYS 79 HB3 LYS 79 -32.933 34.205 -12.746 584 1HG LYS 79 HG2 LYS 79 -31.696 35.327 -14.555 585 2HG LYS 79 HG3 LYS 79 -32.569 34.382 -15.764 586 1HD LYS 79 HD2 LYS 79 -33.591 36.529 -15.699 587 2HD LYS 79 HD3 LYS 79 -34.722 35.394 -14.956 588 1HE LYS 79 HE2 LYS 79 -33.876 36.120 -12.678 589 2HE LYS 79 HE3 LYS 79 -32.788 37.270 -13.493 590 1HZ LYS 79 HZ1 LYS 79 -34.776 38.348 -12.730 591 2HZ LYS 79 HZ2 LYS 79 -34.736 38.416 -14.360 592 3HZ LYS 79 HZ3 LYS 79 -35.750 37.349 -13.596 593 H SER 80 H SER 80 -32.947 30.300 -13.644 594 HA SER 80 HA SER 80 -33.226 29.989 -10.775 595 1HB SER 80 HB2 SER 80 -34.207 27.796 -11.473 596 2HB SER 80 HB3 SER 80 -34.971 29.192 -12.227 597 HG SER 80 HG SER 80 -34.555 27.556 -13.739 598 H ASP 81 H ASP 81 -30.610 29.437 -12.885 599 HA ASP 81 HA ASP 81 -29.578 27.025 -11.554 600 1HB ASP 81 HB2 ASP 81 -29.387 27.443 -14.008 601 2HB ASP 81 HB3 ASP 81 -28.316 28.820 -13.645 602 H GLU 82 H GLU 82 -29.297 30.434 -11.112 603 HA GLU 82 HA GLU 82 -26.757 30.834 -9.972 604 1HB GLU 82 HB2 GLU 82 -28.273 32.609 -10.579 605 2HB GLU 82 HB3 GLU 82 -29.434 32.125 -9.358 606 1HG GLU 82 HG2 GLU 82 -28.057 32.809 -7.573 607 2HG GLU 82 HG3 GLU 82 -26.622 32.891 -8.596 608 H ALA 83 H ALA 83 -25.798 30.407 -7.991 609 HA ALA 83 HA ALA 83 -27.261 29.311 -5.694 610 1HB ALA 83 HB1 ALA 83 -25.590 27.575 -7.560 611 2HB ALA 83 HB2 ALA 83 -26.127 27.025 -5.966 612 3HB ALA 83 HB3 ALA 83 -27.311 27.362 -7.226 613 H GLU 84 H GLU 84 -25.910 28.615 -3.953 614 HA GLU 84 HA GLU 84 -23.103 29.685 -3.959 615 1HB GLU 84 HB2 GLU 84 -24.568 30.667 -2.262 616 2HB GLU 84 HB3 GLU 84 -24.888 29.057 -1.607 617 1HG GLU 84 HG2 GLU 84 -22.521 28.776 -1.057 618 2HG GLU 84 HG3 GLU 84 -22.126 30.283 -1.857 619 H TYR 85 H TYR 85 -21.585 28.179 -4.172 620 HA TYR 85 HA TYR 85 -22.331 25.329 -4.169 621 1HB TYR 85 HB2 TYR 85 -20.540 27.086 -5.753 622 2HB TYR 85 HB3 TYR 85 -20.032 25.437 -5.532 623 HD1 TYR 85 HD1 TYR 85 -22.854 27.523 -6.881 624 HD2 TYR 85 HD2 TYR 85 -20.833 23.741 -6.831 625 HE1 TYR 85 HE1 TYR 85 -24.108 26.813 -8.933 626 HE2 TYR 85 HE2 TYR 85 -22.086 23.016 -8.833 627 HH TYR 85 HH TYR 85 -24.458 25.177 -10.463 628 H ILE 86 H ILE 86 -22.064 24.939 -1.904 629 HA ILE 86 HA ILE 86 -19.267 25.090 -0.841 630 HB ILE 86 HB ILE 86 -21.794 24.142 0.551 631 1HG1 ILE 86 2HG1 ILE 86 -20.237 26.741 0.927 632 2HG1 ILE 86 3HG1 ILE 86 -21.745 26.616 0.030 633 1HG2 ILE 86 1HG2 ILE 86 -18.939 24.649 1.596 634 2HG2 ILE 86 2HG2 ILE 86 -20.328 24.203 2.600 635 3HG2 ILE 86 3HG2 ILE 86 -19.727 23.044 1.446 636 1HD1 ILE 86 1HD1 ILE 86 -22.291 27.449 2.180 637 2HD1 ILE 86 2HD1 ILE 86 -22.887 25.776 2.074 638 3HD1 ILE 86 3HD1 ILE 86 -21.393 26.165 3.011 639 H CYS 87 H CYS 87 -17.968 23.351 -0.818 640 HA CYS 87 HA CYS 87 -19.052 20.696 -1.601 641 1HB CYS 87 HB2 CYS 87 -16.891 20.397 -2.921 642 2HB CYS 87 HB3 CYS 87 -18.153 21.398 -3.624 643 H ILE 88 H ILE 88 -18.291 18.955 -0.695 644 HA ILE 88 HA ILE 88 -16.262 19.183 1.491 645 HB ILE 88 HB ILE 88 -18.948 17.705 1.575 646 1HG1 ILE 88 2HG1 ILE 88 -19.232 19.520 3.554 647 2HG1 ILE 88 3HG1 ILE 88 -18.244 20.497 2.483 648 1HG2 ILE 88 1HG2 ILE 88 -18.433 17.464 4.013 649 2HG2 ILE 88 2HG2 ILE 88 -17.228 16.649 3.012 650 3HG2 ILE 88 3HG2 ILE 88 -16.845 18.218 3.756 651 1HD1 ILE 88 1HD1 ILE 88 -20.891 19.130 1.738 652 2HD1 ILE 88 2HD1 ILE 88 -20.695 20.856 2.196 653 3HD1 ILE 88 3HD1 ILE 88 -19.974 20.243 0.710 654 H ALA 89 H ALA 89 -14.963 17.342 1.783 655 HA ALA 89 HA ALA 89 -15.590 14.906 0.242 656 1HB ALA 89 HB1 ALA 89 -14.123 16.382 -1.179 657 2HB ALA 89 HB2 ALA 89 -12.899 16.305 0.113 658 3HB ALA 89 HB3 ALA 89 -13.378 14.830 -0.776 659 H GLU 90 H GLU 90 -14.521 13.055 0.885 660 HA GLU 90 HA GLU 90 -13.182 12.955 3.550 661 1HB GLU 90 HB2 GLU 90 -15.591 12.939 3.928 662 2HB GLU 90 HB3 GLU 90 -15.810 11.610 2.784 663 1HG GLU 90 HG2 GLU 90 -14.486 10.100 4.263 664 2HG GLU 90 HG3 GLU 90 -14.156 11.449 5.333 665 H ASN 91 H ASN 91 -11.860 11.092 3.753 666 HA ASN 91 HA ASN 91 -12.365 8.747 2.114 667 1HB ASN 91 HB2 ASN 91 -10.487 8.533 0.816 668 2HB ASN 91 HB3 ASN 91 -10.942 10.211 0.592 669 1HD2 ASN 91 1HD2 ASN 91 -7.260 10.021 0.980 670 2HD2 ASN 91 2HD2 ASN 91 -8.427 9.226 -0.083 671 H LYS 92 H LYS 92 -9.869 7.452 2.560 672 HA LYS 92 HA LYS 92 -10.341 6.502 5.239 673 1HB LYS 92 HB2 LYS 92 -7.944 5.431 3.972 674 2HB LYS 92 HB3 LYS 92 -9.388 4.613 4.521 675 1HG LYS 92 HG2 LYS 92 -8.920 5.928 1.815 676 2HG LYS 92 HG3 LYS 92 -8.892 4.203 2.174 677 1HD LYS 92 HD2 LYS 92 -11.296 6.044 1.939 678 2HD LYS 92 HD3 LYS 92 -10.919 4.577 1.054 679 1HE LYS 92 HE2 LYS 92 -11.211 3.218 3.134 680 2HE LYS 92 HE3 LYS 92 -11.641 4.687 4.015 681 1HZ LYS 92 HZ1 LYS 92 -13.629 3.541 3.276 682 2HZ LYS 92 HZ2 LYS 92 -13.543 4.950 2.452 683 3HZ LYS 92 HZ3 LYS 92 -13.154 3.546 1.711 684 H ALA 93 H ALA 93 -8.196 8.797 3.900 685 HA ALA 93 HA ALA 93 -6.299 8.726 6.173 686 1HB ALA 93 HB1 ALA 93 -6.215 10.140 3.507 687 2HB ALA 93 HB2 ALA 93 -4.905 10.118 4.702 688 3HB ALA 93 HB3 ALA 93 -5.389 8.614 3.890 689 H GLY 94 H GLY 94 -9.055 10.627 5.095 690 1HA GLY 94 HA2 GLY 94 -8.968 12.359 7.342 691 2HA GLY 94 HA3 GLY 94 -8.171 13.190 6.006 692 H GLU 95 H GLU 95 -9.771 14.771 6.299 693 HA GLU 95 HA GLU 95 -12.153 14.520 4.630 694 1HB GLU 95 HB2 GLU 95 -12.900 13.738 6.909 695 2HB GLU 95 HB3 GLU 95 -12.384 15.297 7.578 696 1HG GLU 95 HG2 GLU 95 -14.049 16.439 6.018 697 2HG GLU 95 HG3 GLU 95 -14.577 14.826 5.527 698 H GLN 96 H GLN 96 -12.748 16.623 3.771 699 HA GLN 96 HA GLN 96 -11.723 19.099 4.930 700 1HB GLN 96 HB2 GLN 96 -9.790 17.842 3.484 701 2HB GLN 96 HB3 GLN 96 -10.631 18.675 2.178 702 1HG GLN 96 HG2 GLN 96 -8.807 20.015 2.917 703 2HG GLN 96 HG3 GLN 96 -10.282 20.825 3.397 704 1HE2 GLN 96 1HE2 GLN 96 -7.713 19.263 6.251 705 2HE2 GLN 96 2HE2 GLN 96 -7.601 18.738 4.584 706 H ASP 97 H ASP 97 -12.076 20.994 3.156 707 HA ASP 97 HA ASP 97 -14.428 20.659 1.455 708 1HB ASP 97 HB2 ASP 97 -15.926 22.066 2.725 709 2HB ASP 97 HB3 ASP 97 -15.497 20.667 3.667 710 H ALA 98 H ALA 98 -15.024 22.435 0.239 711 HA ALA 98 HA ALA 98 -13.521 24.965 0.473 712 1HB ALA 98 HB1 ALA 98 -12.990 24.997 -1.950 713 2HB ALA 98 HB2 ALA 98 -12.226 23.637 -1.099 714 3HB ALA 98 HB3 ALA 98 -13.631 23.361 -2.143 715 H THR 99 H THR 99 -14.421 26.640 -1.163 716 HA THR 99 HA THR 99 -17.386 26.445 -1.448 717 HB THR 99 HB THR 99 -15.887 28.669 -0.015 718 HG1 THR 99 HG1 THR 99 -17.060 27.936 1.768 719 1HG2 THR 99 1HG2 THR 99 -17.779 29.650 -1.125 720 2HG2 THR 99 2HG2 THR 99 -18.830 28.297 -0.635 721 3HG2 THR 99 3HG2 THR 99 -18.221 29.437 0.585 722 H ILE 100 H ILE 100 -18.233 27.453 -3.116 723 HA ILE 100 HA ILE 100 -16.706 29.351 -4.859 724 HB ILE 100 HB ILE 100 -18.328 26.869 -5.643 725 1HG1 ILE 100 2HG1 ILE 100 -15.383 27.287 -6.209 726 2HG1 ILE 100 3HG1 ILE 100 -15.974 26.376 -4.816 727 1HG2 ILE 100 1HG2 ILE 100 -17.561 27.410 -8.012 728 2HG2 ILE 100 2HG2 ILE 100 -18.776 28.458 -7.351 729 3HG2 ILE 100 3HG2 ILE 100 -17.092 28.993 -7.399 730 1HD1 ILE 100 1HD1 ILE 100 -15.475 24.783 -6.444 731 2HD1 ILE 100 2HD1 ILE 100 -17.249 24.868 -6.329 732 3HD1 ILE 100 3HD1 ILE 100 -16.411 25.606 -7.704 733 H HIS 101 H HIS 101 -18.181 30.767 -6.066 734 HA HIS 101 HA HIS 101 -21.096 30.661 -5.369 735 1HB HIS 101 HB2 HIS 101 -19.596 33.101 -6.366 736 2HB HIS 101 HB3 HIS 101 -21.199 33.038 -5.621 737 HD1 HIS 101 HD1 HIS 101 -17.709 33.805 -4.834 738 HD2 HIS 101 HD2 HIS 101 -21.089 32.310 -2.818 739 HE1 HIS 101 HE1 HIS 101 -17.238 34.091 -2.314 740 H LEU 102 H LEU 102 -22.560 30.667 -7.109 741 HA LEU 102 HA LEU 102 -21.453 31.005 -9.870 742 1HB LEU 102 HB2 LEU 102 -21.906 28.652 -9.437 743 2HB LEU 102 HB3 LEU 102 -23.583 29.005 -8.992 744 HG LEU 102 HG LEU 102 -23.258 27.988 -11.213 745 1HD1 LEU 102 1HD1 LEU 102 -25.256 29.395 -10.733 746 2HD1 LEU 102 2HD1 LEU 102 -24.448 30.749 -11.556 747 3HD1 LEU 102 3HD1 LEU 102 -24.832 29.273 -12.437 748 1HD2 LEU 102 1HD2 LEU 102 -21.152 29.100 -11.902 749 2HD2 LEU 102 2HD2 LEU 102 -22.433 29.276 -13.126 750 3HD2 LEU 102 3HD2 LEU 102 -22.045 30.637 -12.073 751 H LYS 103 H LYS 103 -22.162 33.016 -10.362 752 HA LYS 103 HA LYS 103 -25.043 33.728 -9.870 753 1HB LYS 103 HB2 LYS 103 -22.637 35.474 -10.486 754 2HB LYS 103 HB3 LYS 103 -24.321 36.025 -10.492 755 1HG LYS 103 HG2 LYS 103 -24.512 35.070 -8.092 756 2HG LYS 103 HG3 LYS 103 -22.772 34.908 -8.137 757 1HD LYS 103 HD2 LYS 103 -23.437 36.976 -7.007 758 2HD LYS 103 HD3 LYS 103 -22.479 37.294 -8.449 759 1HE LYS 103 HE2 LYS 103 -24.341 38.896 -8.221 760 2HE LYS 103 HE3 LYS 103 -24.442 37.957 -9.712 761 1HZ LYS 103 HZ1 LYS 103 -26.594 38.152 -8.555 762 2HZ LYS 103 HZ2 LYS 103 -26.167 36.593 -8.727 763 3HZ LYS 103 HZ3 LYS 103 -26.033 37.356 -7.268 764 H VAL 104 H VAL 104 -26.272 34.795 -11.496 765 HA VAL 104 HA VAL 104 -25.531 34.143 -14.313 766 HB VAL 104 HB VAL 104 -28.198 33.480 -13.024 767 1HG1 VAL 104 1HG1 VAL 104 -27.119 32.982 -15.859 768 2HG1 VAL 104 2HG1 VAL 104 -28.674 32.381 -15.209 769 3HG1 VAL 104 3HG1 VAL 104 -28.405 34.120 -15.405 770 1HG2 VAL 104 1HG2 VAL 104 -27.594 31.089 -13.523 771 2HG2 VAL 104 2HG2 VAL 104 -25.971 31.619 -13.991 772 3HG2 VAL 104 3HG2 VAL 104 -26.564 31.813 -12.322 773 H PHE 105 H PHE 105 -25.946 35.922 -15.704 774 HA PHE 105 HA PHE 105 -27.632 38.076 -14.606 775 1HB PHE 105 HB2 PHE 105 -26.351 39.501 -16.067 776 2HB PHE 105 HB3 PHE 105 -25.389 38.753 -14.809 777 HD1 PHE 105 HD1 PHE 105 -25.911 39.158 -18.418 778 HD2 PHE 105 HD2 PHE 105 -23.691 37.006 -15.422 779 HE1 PHE 105 HE1 PHE 105 -24.222 38.532 -20.130 780 HE2 PHE 105 HE2 PHE 105 -22.004 36.387 -17.120 781 HZ PHE 105 HZ PHE 105 -22.247 37.170 -19.464 782 H ALA 106 H ALA 106 -29.153 39.068 -15.800 783 HA ALA 106 HA ALA 106 -30.450 37.387 -17.830 784 1HB ALA 106 HB1 ALA 106 -31.593 38.141 -15.760 785 2HB ALA 106 HB2 ALA 106 -31.427 39.837 -16.324 786 3HB ALA 106 HB3 ALA 106 -32.419 38.702 -17.232 787 H LYS 107 H LYS 107 -28.219 38.498 -18.901 788 HA LYS 107 HA LYS 107 -27.316 39.684 -20.625 789 1HB LYS 107 HB2 LYS 107 -30.199 39.928 -21.606 790 2HB LYS 107 HB3 LYS 107 -28.764 40.266 -22.548 791 1HG LYS 107 HG2 LYS 107 -28.010 37.941 -22.407 792 2HG LYS 107 HG3 LYS 107 -29.351 37.534 -21.350 793 1HD LYS 107 HD2 LYS 107 -29.838 36.787 -23.605 794 2HD LYS 107 HD3 LYS 107 -30.965 38.095 -23.148 795 1HE LYS 107 HE2 LYS 107 -29.559 39.708 -24.442 796 2HE LYS 107 HE3 LYS 107 -28.466 38.395 -24.898 797 1HZ LYS 107 HZ1 LYS 107 -30.368 37.352 -26.060 798 2HZ LYS 107 HZ2 LYS 107 -31.359 38.551 -25.569 799 3HZ LYS 107 HZ3 LYS 107 -30.143 38.854 -26.626 Start of MODEL 11 1 1H GLY 1 H1 GLY 1 -7.188 0.875 -7.430 2 2H GLY 1 H2 GLY 1 -8.187 -0.252 -6.749 3 3H GLY 1 H3 GLY 1 -8.037 1.273 -6.084 4 1HA GLY 1 HA2 GLY 1 -5.891 -0.734 -6.234 5 2HA GLY 1 HA3 GLY 1 -5.742 0.894 -5.548 6 H LYS 2 H LYS 2 -5.288 0.310 -3.458 7 HA LYS 2 HA LYS 2 -7.522 -0.348 -1.666 8 1HB LYS 2 HB2 LYS 2 -6.623 -2.359 -0.699 9 2HB LYS 2 HB3 LYS 2 -7.011 -2.627 -2.389 10 1HG LYS 2 HG2 LYS 2 -4.649 -2.611 -3.019 11 2HG LYS 2 HG3 LYS 2 -4.173 -2.035 -1.440 12 1HD LYS 2 HD2 LYS 2 -3.656 -4.365 -1.632 13 2HD LYS 2 HD3 LYS 2 -4.829 -4.109 -0.358 14 1HE LYS 2 HE2 LYS 2 -5.480 -6.076 -1.517 15 2HE LYS 2 HE3 LYS 2 -6.667 -4.826 -1.955 16 1HZ LYS 2 HZ1 LYS 2 -5.410 -4.536 -4.049 17 2HZ LYS 2 HZ2 LYS 2 -4.350 -5.724 -3.633 18 3HZ LYS 2 HZ3 LYS 2 -5.930 -6.052 -3.896 19 H ASP 3 H ASP 3 -6.805 -0.462 0.622 20 HA ASP 3 HA ASP 3 -4.659 1.508 1.194 21 1HB ASP 3 HB2 ASP 3 -6.862 1.825 2.200 22 2HB ASP 3 HB3 ASP 3 -6.735 0.235 3.013 23 H ILE 4 H ILE 4 -3.076 1.067 2.829 24 HA ILE 4 HA ILE 4 -2.234 -1.763 3.215 25 HB ILE 4 HB ILE 4 -0.507 0.455 2.053 26 1HG1 ILE 4 2HG1 ILE 4 -2.058 -0.399 0.310 27 2HG1 ILE 4 3HG1 ILE 4 -0.381 -0.668 -0.035 28 1HG2 ILE 4 1HG2 ILE 4 0.188 -2.447 2.647 29 2HG2 ILE 4 2HG2 ILE 4 1.166 -1.348 1.653 30 3HG2 ILE 4 3HG2 ILE 4 0.912 -0.983 3.355 31 1HD1 ILE 4 1HD1 ILE 4 -0.535 -3.015 0.456 32 2HD1 ILE 4 2HD1 ILE 4 -2.199 -2.827 1.043 33 3HD1 ILE 4 3HD1 ILE 4 -1.838 -2.567 -0.670 34 H GLN 5 H GLN 5 -0.729 -2.005 4.982 35 HA GLN 5 HA GLN 5 -0.893 0.017 7.120 36 1HB GLN 5 HB2 GLN 5 0.474 -2.732 7.028 37 2HB GLN 5 HB3 GLN 5 0.318 -1.719 8.468 38 1HG GLN 5 HG2 GLN 5 -2.198 -1.835 8.230 39 2HG GLN 5 HG3 GLN 5 -1.997 -2.893 6.841 40 1HE2 GLN 5 1HE2 GLN 5 -2.532 -5.452 9.319 41 2HE2 GLN 5 2HE2 GLN 5 -3.335 -4.507 8.072 42 H VAL 6 H VAL 6 0.422 1.008 4.939 43 HA VAL 6 HA VAL 6 3.057 1.872 5.912 44 HB VAL 6 HB VAL 6 2.689 0.616 3.135 45 1HG1 VAL 6 1HG1 VAL 6 5.162 1.872 4.410 46 2HG1 VAL 6 2HG1 VAL 6 5.183 0.909 2.953 47 3HG1 VAL 6 3HG1 VAL 6 4.300 2.404 2.928 48 1HG2 VAL 6 1HG2 VAL 6 4.352 -1.041 3.819 49 2HG2 VAL 6 2HG2 VAL 6 4.354 -0.343 5.480 50 3HG2 VAL 6 3HG2 VAL 6 2.922 -1.147 4.823 51 H ILE 7 H ILE 7 3.734 3.877 4.619 52 HA ILE 7 HA ILE 7 1.542 5.696 4.283 53 HB ILE 7 HB ILE 7 4.435 6.025 3.404 54 1HG1 ILE 7 2HG1 ILE 7 3.060 6.783 6.033 55 2HG1 ILE 7 3HG1 ILE 7 4.290 5.525 5.808 56 1HG2 ILE 7 1HG2 ILE 7 2.291 8.127 3.973 57 2HG2 ILE 7 2HG2 ILE 7 3.944 8.428 3.413 58 3HG2 ILE 7 3HG2 ILE 7 2.788 7.623 2.347 59 1HD1 ILE 7 1HD1 ILE 7 5.946 7.223 5.118 60 2HD1 ILE 7 2HD1 ILE 7 4.781 8.507 5.567 61 3HD1 ILE 7 3HD1 ILE 7 5.390 7.395 6.782 62 H VAL 8 H VAL 8 0.094 5.150 2.817 63 HA VAL 8 HA VAL 8 0.702 5.135 -0.110 64 HB VAL 8 HB VAL 8 -0.795 2.883 1.291 65 1HG1 VAL 8 1HG1 VAL 8 -0.307 3.408 -1.682 66 2HG1 VAL 8 2HG1 VAL 8 -0.973 1.900 -1.013 67 3HG1 VAL 8 3HG1 VAL 8 -1.904 3.382 -0.839 68 1HG2 VAL 8 1HG2 VAL 8 1.833 2.863 -0.307 69 2HG2 VAL 8 2HG2 VAL 8 1.640 2.500 1.427 70 3HG2 VAL 8 3HG2 VAL 8 0.916 1.405 0.247 71 H ASN 9 H ASN 9 -1.718 5.217 2.478 72 HA ASN 9 HA ASN 9 -3.758 6.443 0.757 73 1HB ASN 9 HB2 ASN 9 -5.123 6.544 2.783 74 2HB ASN 9 HB3 ASN 9 -4.478 4.932 2.520 75 1HD2 ASN 9 1HD2 ASN 9 -3.615 3.960 4.311 76 2HD2 ASN 9 2HD2 ASN 9 -2.926 4.844 5.695 77 H VAL 10 H VAL 10 -4.675 8.559 1.341 78 HA VAL 10 HA VAL 10 -2.916 10.583 2.594 79 HB VAL 10 HB VAL 10 -3.736 10.830 -0.342 80 1HG1 VAL 10 1HG1 VAL 10 -3.762 13.037 0.827 81 2HG1 VAL 10 2HG1 VAL 10 -2.113 12.735 1.395 82 3HG1 VAL 10 3HG1 VAL 10 -2.464 12.899 -0.337 83 1HG2 VAL 10 1HG2 VAL 10 -0.944 10.506 0.846 84 2HG2 VAL 10 2HG2 VAL 10 -1.761 9.377 -0.228 85 3HG2 VAL 10 3HG2 VAL 10 -1.299 10.953 -0.829 86 HA PRO 11 HA PRO 11 -7.110 11.967 3.747 87 1HB PRO 11 HB2 PRO 11 -5.561 14.532 4.180 88 2HB PRO 11 HB3 PRO 11 -6.801 13.745 5.222 89 1HG PRO 11 HG2 PRO 11 -4.197 13.490 5.865 90 2HG PRO 11 HG3 PRO 11 -5.310 12.074 5.948 91 1HD PRO 11 HD2 PRO 11 -3.334 12.762 3.736 92 2HD PRO 11 HD3 PRO 11 -3.681 11.180 4.507 93 HA PRO 12 HA PRO 12 -8.391 13.940 0.056 94 1HB PRO 12 HB2 PRO 12 -10.801 15.057 0.626 95 2HB PRO 12 HB3 PRO 12 -10.524 13.294 0.731 96 1HG PRO 12 HG2 PRO 12 -10.539 15.323 2.953 97 2HG PRO 12 HG3 PRO 12 -11.300 13.720 2.946 98 1HD PRO 12 HD2 PRO 12 -8.795 14.284 4.068 99 2HD PRO 12 HD3 PRO 12 -9.271 12.673 3.457 100 H SER 13 H SER 13 -8.674 15.833 -1.129 101 HA SER 13 HA SER 13 -7.925 18.434 0.171 102 1HB SER 13 HB2 SER 13 -5.911 17.061 -0.467 103 2HB SER 13 HB3 SER 13 -6.397 17.240 -2.159 104 HG SER 13 HG SER 13 -4.941 18.892 -1.496 105 H VAL 14 H VAL 14 -10.408 18.383 -0.475 106 HA VAL 14 HA VAL 14 -10.813 19.212 -3.257 107 HB VAL 14 HB VAL 14 -12.578 17.993 -2.091 108 1HG1 VAL 14 1HG1 VAL 14 -13.156 20.578 -0.571 109 2HG1 VAL 14 2HG1 VAL 14 -14.142 19.114 -0.605 110 3HG1 VAL 14 3HG1 VAL 14 -12.561 19.057 0.153 111 1HG2 VAL 14 1HG2 VAL 14 -13.028 19.377 -4.085 112 2HG2 VAL 14 2HG2 VAL 14 -14.424 19.252 -2.997 113 3HG2 VAL 14 3HG2 VAL 14 -13.477 20.746 -3.020 114 H ARG 15 H ARG 15 -10.853 21.138 -4.066 115 HA ARG 15 HA ARG 15 -10.534 23.631 -2.409 116 1HB ARG 15 HB2 ARG 15 -8.849 22.476 -4.659 117 2HB ARG 15 HB3 ARG 15 -8.845 24.190 -4.324 118 1HG ARG 15 HG2 ARG 15 -7.787 24.020 -2.306 119 2HG ARG 15 HG3 ARG 15 -8.324 22.383 -1.973 120 1HD ARG 15 HD2 ARG 15 -6.302 23.131 -4.112 121 2HD ARG 15 HD3 ARG 15 -5.878 22.584 -2.475 122 HE ARG 15 HE ARG 15 -7.515 20.568 -3.339 123 1HH1 ARG 15 1HH1 ARG 15 -7.087 18.793 -4.366 124 2HH1 ARG 15 2HH1 ARG 15 -5.711 18.663 -5.455 125 1HH2 ARG 15 1HH2 ARG 15 -4.650 21.896 -4.926 126 2HH2 ARG 15 2HH2 ARG 15 -4.377 20.388 -5.764 127 H ALA 16 H ALA 16 -10.820 25.550 -3.775 128 HA ALA 16 HA ALA 16 -13.077 25.292 -5.668 129 1HB ALA 16 HB1 ALA 16 -13.254 27.023 -3.970 130 2HB ALA 16 HB2 ALA 16 -11.683 27.678 -4.452 131 3HB ALA 16 HB3 ALA 16 -13.053 27.793 -5.557 132 H ARG 17 H ARG 17 -12.578 24.841 -7.751 133 HA ARG 17 HA ARG 17 -9.987 25.326 -8.942 134 1HB ARG 17 HB2 ARG 17 -11.701 23.573 -9.640 135 2HB ARG 17 HB3 ARG 17 -12.554 24.865 -10.493 136 1HG ARG 17 HG2 ARG 17 -10.468 25.294 -11.793 137 2HG ARG 17 HG3 ARG 17 -9.666 23.942 -10.967 138 1HD ARG 17 HD2 ARG 17 -12.184 23.695 -12.638 139 2HD ARG 17 HD3 ARG 17 -10.570 23.467 -13.285 140 HE ARG 17 HE ARG 17 -12.007 21.577 -11.561 141 1HH1 ARG 17 1HH1 ARG 17 -8.823 22.363 -12.801 142 2HH1 ARG 17 2HH1 ARG 17 -8.280 20.723 -12.669 143 1HH2 ARG 17 1HH2 ARG 17 -11.238 19.491 -11.380 144 2HH2 ARG 17 2HH2 ARG 17 -9.594 19.154 -11.895 145 H GLN 18 H GLN 18 -12.844 27.229 -8.733 146 HA GLN 18 HA GLN 18 -11.433 29.709 -9.188 147 1HB GLN 18 HB2 GLN 18 -12.033 29.033 -11.557 148 2HB GLN 18 HB3 GLN 18 -13.725 29.176 -11.082 149 1HG GLN 18 HG2 GLN 18 -13.347 31.571 -10.463 150 2HG GLN 18 HG3 GLN 18 -11.637 31.401 -10.788 151 1HE2 GLN 18 1HE2 GLN 18 -14.013 32.462 -13.801 152 2HE2 GLN 18 2HE2 GLN 18 -14.468 32.554 -12.104 153 H SER 19 H SER 19 -12.218 31.017 -7.617 154 HA SER 19 HA SER 19 -14.304 30.056 -5.908 155 1HB SER 19 HB2 SER 19 -12.908 32.752 -5.868 156 2HB SER 19 HB3 SER 19 -13.787 31.994 -4.521 157 HG SER 19 HG SER 19 -11.514 31.651 -4.384 158 H THR 20 H THR 20 -14.583 32.120 -8.628 159 HA THR 20 HA THR 20 -17.466 32.651 -8.051 160 HB THR 20 HB THR 20 -15.467 34.846 -8.836 161 HG1 THR 20 HG1 THR 20 -16.022 35.725 -6.882 162 1HG2 THR 20 1HG2 THR 20 -17.641 35.212 -9.947 163 2HG2 THR 20 2HG2 THR 20 -18.486 34.948 -8.385 164 3HG2 THR 20 3HG2 THR 20 -17.444 36.352 -8.614 165 H MET 21 H MET 21 -18.480 31.866 -9.674 166 HA MET 21 HA MET 21 -17.457 32.083 -12.478 167 1HB MET 21 HB2 MET 21 -19.061 29.966 -10.987 168 2HB MET 21 HB3 MET 21 -19.057 30.058 -12.754 169 1HG MET 21 HG2 MET 21 -16.592 29.691 -11.004 170 2HG MET 21 HG3 MET 21 -17.440 28.416 -11.834 171 1HE MET 21 HE1 MET 21 -17.679 28.307 -14.576 172 2HE MET 21 HE2 MET 21 -18.065 30.027 -14.768 173 3HE MET 21 HE3 MET 21 -16.708 29.332 -15.665 174 H ASN 22 H ASN 22 -19.049 32.444 -14.105 175 HA ASN 22 HA ASN 22 -21.707 33.518 -13.290 176 1HB ASN 22 HB2 ASN 22 -19.612 35.058 -14.929 177 2HB ASN 22 HB3 ASN 22 -21.256 35.609 -14.559 178 1HD2 ASN 22 1HD2 ASN 22 -20.503 36.619 -11.254 179 2HD2 ASN 22 2HD2 ASN 22 -21.802 35.974 -12.258 180 H ALA 23 H ALA 23 -23.060 33.976 -15.221 181 HA ALA 23 HA ALA 23 -22.411 32.750 -17.774 182 1HB ALA 23 HB1 ALA 23 -24.354 31.320 -15.884 183 2HB ALA 23 HB2 ALA 23 -24.135 30.931 -17.594 184 3HB ALA 23 HB3 ALA 23 -22.799 30.685 -16.467 185 H THR 24 H THR 24 -24.117 32.953 -19.320 186 HA THR 24 HA THR 24 -25.897 35.258 -18.777 187 HB THR 24 HB THR 24 -25.417 33.906 -21.453 188 HG1 THR 24 HG1 THR 24 -23.739 35.301 -21.792 189 1HG2 THR 24 1HG2 THR 24 -27.240 35.559 -21.466 190 2HG2 THR 24 2HG2 THR 24 -26.212 36.744 -20.614 191 3HG2 THR 24 3HG2 THR 24 -25.834 36.279 -22.283 192 H ALA 25 H ALA 25 -27.965 34.840 -18.189 193 HA ALA 25 HA ALA 25 -29.340 32.354 -18.920 194 1HB ALA 25 HB1 ALA 25 -31.222 33.394 -17.627 195 2HB ALA 25 HB2 ALA 25 -29.702 33.230 -16.750 196 3HB ALA 25 HB3 ALA 25 -30.186 34.825 -17.393 197 H ASN 26 H ASN 26 -31.572 32.410 -19.725 198 HA ASN 26 HA ASN 26 -33.089 32.592 -21.348 199 1HB ASN 26 HB2 ASN 26 -33.183 34.982 -20.500 200 2HB ASN 26 HB3 ASN 26 -32.145 35.454 -21.834 201 1HD2 ASN 26 1HD2 ASN 26 -36.021 34.305 -22.673 202 2HD2 ASN 26 2HD2 ASN 26 -35.229 33.677 -21.234 203 H LEU 27 H LEU 27 -29.903 32.437 -22.038 204 HA LEU 27 HA LEU 27 -30.305 32.002 -24.959 205 1HB LEU 27 HB2 LEU 27 -27.766 31.989 -23.247 206 2HB LEU 27 HB3 LEU 27 -27.829 31.761 -24.987 207 HG LEU 27 HG LEU 27 -28.543 34.293 -23.502 208 1HD1 LEU 27 1HD1 LEU 27 -26.233 33.621 -25.378 209 2HD1 LEU 27 2HD1 LEU 27 -26.501 35.169 -24.543 210 3HD1 LEU 27 3HD1 LEU 27 -26.128 33.718 -23.611 211 1HD2 LEU 27 1HD2 LEU 27 -29.921 34.108 -25.532 212 2HD2 LEU 27 2HD2 LEU 27 -28.661 35.341 -25.769 213 3HD2 LEU 27 3HD2 LEU 27 -28.486 33.727 -26.496 214 H SER 28 H SER 28 -30.587 30.231 -22.123 215 HA SER 28 HA SER 28 -30.479 28.012 -21.543 216 1HB SER 28 HB2 SER 28 -31.068 27.483 -24.466 217 2HB SER 28 HB3 SER 28 -31.288 26.350 -23.130 218 HG SER 28 HG SER 28 -32.791 27.817 -22.214 219 H GLN 29 H GLN 29 -28.001 29.145 -21.773 220 HA GLN 29 HA GLN 29 -26.274 27.850 -23.634 221 1HB GLN 29 HB2 GLN 29 -26.096 30.178 -22.557 222 2HB GLN 29 HB3 GLN 29 -25.540 29.378 -21.089 223 1HG GLN 29 HG2 GLN 29 -23.752 30.393 -22.498 224 2HG GLN 29 HG3 GLN 29 -23.490 28.694 -22.169 225 1HE2 GLN 29 1HE2 GLN 29 -23.993 29.910 -26.043 226 2HE2 GLN 29 2HE2 GLN 29 -24.219 31.074 -24.743 227 H SER 30 H SER 30 -24.177 26.897 -22.881 228 HA SER 30 HA SER 30 -24.525 24.852 -20.725 229 1HB SER 30 HB2 SER 30 -23.057 24.507 -23.389 230 2HB SER 30 HB3 SER 30 -23.022 23.357 -22.023 231 HG SER 30 HG SER 30 -24.623 22.875 -23.654 232 H VAL 31 H VAL 31 -22.953 24.649 -19.258 233 HA VAL 31 HA VAL 31 -20.486 26.325 -19.491 234 HB VAL 31 HB VAL 31 -22.517 26.751 -17.261 235 1HG1 VAL 31 1HG1 VAL 31 -20.219 27.103 -16.448 236 2HG1 VAL 31 2HG1 VAL 31 -19.869 28.173 -17.814 237 3HG1 VAL 31 3HG1 VAL 31 -21.056 28.631 -16.575 238 1HG2 VAL 31 1HG2 VAL 31 -22.751 29.040 -18.132 239 2HG2 VAL 31 2HG2 VAL 31 -21.773 28.614 -19.552 240 3HG2 VAL 31 3HG2 VAL 31 -23.364 27.850 -19.260 241 H THR 32 H THR 32 -18.766 25.523 -18.299 242 HA THR 32 HA THR 32 -19.235 23.199 -16.488 243 HB THR 32 HB THR 32 -16.607 24.006 -17.819 244 HG1 THR 32 HG1 THR 32 -17.077 22.521 -19.348 245 1HG2 THR 32 1HG2 THR 32 -16.038 21.600 -17.375 246 2HG2 THR 32 2HG2 THR 32 -16.274 22.514 -15.880 247 3HG2 THR 32 3HG2 THR 32 -17.551 21.445 -16.462 248 H LEU 33 H LEU 33 -18.400 23.220 -14.432 249 HA LEU 33 HA LEU 33 -16.451 25.143 -13.495 250 1HB LEU 33 HB2 LEU 33 -17.874 26.079 -11.697 251 2HB LEU 33 HB3 LEU 33 -18.274 26.576 -13.330 252 HG LEU 33 HG LEU 33 -20.176 24.875 -13.307 253 1HD1 LEU 33 1HD1 LEU 33 -19.615 23.491 -11.451 254 2HD1 LEU 33 2HD1 LEU 33 -19.493 24.870 -10.326 255 3HD1 LEU 33 3HD1 LEU 33 -21.068 24.364 -11.027 256 1HD2 LEU 33 1HD2 LEU 33 -20.161 27.185 -11.339 257 2HD2 LEU 33 2HD2 LEU 33 -20.468 27.305 -13.084 258 3HD2 LEU 33 3HD2 LEU 33 -21.614 26.438 -12.026 259 H ALA 34 H ALA 34 -15.951 24.691 -11.034 260 HA ALA 34 HA ALA 34 -16.484 21.887 -10.313 261 1HB ALA 34 HB1 ALA 34 -14.854 21.902 -12.306 262 2HB ALA 34 HB2 ALA 34 -13.742 22.767 -11.282 263 3HB ALA 34 HB3 ALA 34 -14.214 21.119 -10.845 264 H CYS 35 H CYS 35 -15.733 21.140 -8.445 265 HA CYS 35 HA CYS 35 -14.013 22.856 -6.669 266 1HB CYS 35 HB2 CYS 35 -16.197 20.865 -6.037 267 2HB CYS 35 HB3 CYS 35 -14.873 21.173 -4.920 268 H ASP 36 H ASP 36 -11.958 22.185 -7.257 269 HA ASP 36 HA ASP 36 -11.457 19.580 -8.410 270 1HB ASP 36 HB2 ASP 36 -9.248 20.280 -8.783 271 2HB ASP 36 HB3 ASP 36 -10.356 21.556 -9.235 272 H ALA 37 H ALA 37 -11.460 17.809 -7.322 273 HA ALA 37 HA ALA 37 -10.465 17.709 -4.543 274 1HB ALA 37 HB1 ALA 37 -12.355 15.857 -6.038 275 2HB ALA 37 HB2 ALA 37 -11.913 15.771 -4.312 276 3HB ALA 37 HB3 ALA 37 -12.827 17.146 -4.905 277 H ASP 38 H ASP 38 -9.305 16.029 -3.762 278 HA ASP 38 HA ASP 38 -8.126 13.959 -5.469 279 1HB ASP 38 HB2 ASP 38 -6.704 15.944 -5.941 280 2HB ASP 38 HB3 ASP 38 -6.476 16.176 -4.196 281 H GLY 39 H GLY 39 -6.774 12.448 -4.082 282 1HA GLY 39 HA2 GLY 39 -6.296 12.360 -1.393 283 2HA GLY 39 HA3 GLY 39 -8.009 11.917 -1.472 284 H PHE 40 H PHE 40 -6.009 10.106 -0.565 285 HA PHE 40 HA PHE 40 -6.131 8.037 -2.726 286 1HB PHE 40 HB2 PHE 40 -3.667 8.804 -1.152 287 2HB PHE 40 HB3 PHE 40 -3.849 7.250 -1.896 288 HD1 PHE 40 HD1 PHE 40 -3.746 6.904 -4.283 289 HD2 PHE 40 HD2 PHE 40 -3.497 10.858 -2.598 290 HE1 PHE 40 HE1 PHE 40 -3.066 7.787 -6.481 291 HE2 PHE 40 HE2 PHE 40 -2.768 11.749 -4.814 292 HZ PHE 40 HZ PHE 40 -2.550 10.215 -6.754 293 HA PRO 41 HA PRO 41 -5.241 5.772 -2.714 294 1HB PRO 41 HB2 PRO 41 -7.181 3.503 -2.380 295 2HB PRO 41 HB3 PRO 41 -5.430 3.452 -2.769 296 1HG PRO 41 HG2 PRO 41 -6.317 2.829 -0.259 297 2HG PRO 41 HG3 PRO 41 -4.847 3.845 -0.493 298 1HD PRO 41 HD2 PRO 41 -7.665 4.774 0.062 299 2HD PRO 41 HD3 PRO 41 -6.152 5.209 0.911 300 H GLU 42 H GLU 42 -8.176 6.668 -2.034 301 HA GLU 42 HA GLU 42 -8.751 7.845 -4.648 302 1HB GLU 42 HB2 GLU 42 -10.626 5.871 -3.261 303 2HB GLU 42 HB3 GLU 42 -11.226 6.991 -4.482 304 1HG GLU 42 HG2 GLU 42 -9.636 5.995 -6.135 305 2HG GLU 42 HG3 GLU 42 -9.308 4.703 -4.945 306 HA PRO 43 HA PRO 43 -10.852 10.612 -1.663 307 1HB PRO 43 HB2 PRO 43 -11.856 12.520 -3.283 308 2HB PRO 43 HB3 PRO 43 -10.107 12.290 -3.067 309 1HG PRO 43 HG2 PRO 43 -11.849 11.302 -5.360 310 2HG PRO 43 HG3 PRO 43 -10.230 12.091 -5.472 311 1HD PRO 43 HD2 PRO 43 -10.675 9.339 -5.512 312 2HD PRO 43 HD3 PRO 43 -9.142 10.105 -4.999 313 H THR 44 H THR 44 -13.043 11.329 -1.117 314 HA THR 44 HA THR 44 -15.353 10.314 -2.691 315 HB THR 44 HB THR 44 -15.031 9.951 0.289 316 HG1 THR 44 HG1 THR 44 -15.056 7.734 -0.221 317 1HG2 THR 44 1HG2 THR 44 -17.111 8.594 0.101 318 2HG2 THR 44 2HG2 THR 44 -17.399 10.286 -0.332 319 3HG2 THR 44 3HG2 THR 44 -17.232 9.077 -1.621 320 H MET 45 H MET 45 -16.923 12.009 -2.855 321 HA MET 45 HA MET 45 -16.958 14.180 -0.891 322 1HB MET 45 HB2 MET 45 -16.233 15.876 -2.434 323 2HB MET 45 HB3 MET 45 -14.986 14.661 -2.343 324 1HG MET 45 HG2 MET 45 -15.000 14.865 -4.611 325 2HG MET 45 HG3 MET 45 -16.285 13.687 -4.470 326 1HE MET 45 HE1 MET 45 -15.136 17.148 -5.469 327 2HE MET 45 HE2 MET 45 -16.606 18.145 -5.547 328 3HE MET 45 HE3 MET 45 -15.945 17.616 -3.966 329 H THR 46 H THR 46 -18.548 15.816 -1.266 330 HA THR 46 HA THR 46 -20.563 15.501 -3.375 331 HB THR 46 HB THR 46 -22.453 15.668 -1.710 332 HG1 THR 46 HG1 THR 46 -22.131 15.029 0.392 333 1HG2 THR 46 1HG2 THR 46 -21.952 13.543 -2.852 334 2HG2 THR 46 2HG2 THR 46 -20.945 13.066 -1.441 335 3HG2 THR 46 3HG2 THR 46 -22.704 13.359 -1.262 336 H TRP 47 H TRP 47 -22.221 17.373 -3.183 337 HA TRP 47 HA TRP 47 -21.368 19.702 -1.689 338 1HB TRP 47 HB2 TRP 47 -20.864 21.108 -3.667 339 2HB TRP 47 HB3 TRP 47 -19.693 19.891 -3.245 340 HD1 TRP 47 HD1 TRP 47 -19.778 17.546 -4.772 341 HE1 TRP 47 HE1 TRP 47 -19.154 17.642 -7.254 342 HE3 TRP 47 HE3 TRP 47 -21.218 22.380 -5.777 343 HZ2 TRP 47 HZ2 TRP 47 -18.851 19.681 -9.267 344 HZ3 TRP 47 HZ3 TRP 47 -20.671 23.382 -7.985 345 HH2 TRP 47 HH2 TRP 47 -19.506 22.043 -9.724 346 H THR 48 H THR 48 -22.599 21.641 -2.047 347 HA THR 48 HA THR 48 -25.438 20.944 -2.691 348 HB THR 48 HB THR 48 -26.154 22.134 -0.742 349 HG1 THR 48 HG1 THR 48 -24.665 23.019 0.708 350 1HG2 THR 48 1HG2 THR 48 -25.314 20.731 1.051 351 2HG2 THR 48 2HG2 THR 48 -25.342 19.742 -0.438 352 3HG2 THR 48 3HG2 THR 48 -23.813 20.393 0.149 353 H LYS 49 H LYS 49 -26.872 22.639 -3.125 354 HA LYS 49 HA LYS 49 -25.723 24.898 -4.670 355 1HB LYS 49 HB2 LYS 49 -27.376 23.143 -5.550 356 2HB LYS 49 HB3 LYS 49 -28.609 23.925 -4.560 357 1HG LYS 49 HG2 LYS 49 -28.152 26.098 -5.802 358 2HG LYS 49 HG3 LYS 49 -26.980 25.213 -6.791 359 1HD LYS 49 HD2 LYS 49 -28.711 23.641 -7.552 360 2HD LYS 49 HD3 LYS 49 -29.928 24.489 -6.591 361 1HE LYS 49 HE2 LYS 49 -28.321 25.715 -8.884 362 2HE LYS 49 HE3 LYS 49 -29.922 25.005 -9.038 363 1HZ LYS 49 HZ1 LYS 49 -30.389 27.248 -8.766 364 2HZ LYS 49 HZ2 LYS 49 -30.628 26.698 -7.263 365 3HZ LYS 49 HZ3 LYS 49 -29.241 27.512 -7.628 366 H ASP 50 H ASP 50 -25.206 25.572 -2.265 367 HA ASP 50 HA ASP 50 -25.396 26.971 -0.523 368 1HB ASP 50 HB2 ASP 50 -26.040 28.616 -2.215 369 2HB ASP 50 HB3 ASP 50 -27.742 28.218 -1.952 370 H GLY 51 H GLY 51 -28.173 24.999 -1.195 371 1HA GLY 51 HA2 GLY 51 -28.591 24.564 1.691 372 2HA GLY 51 HA3 GLY 51 -29.921 25.400 0.862 373 H GLU 52 H GLU 52 -28.514 23.031 -1.248 374 HA GLU 52 HA GLU 52 -29.823 20.708 -0.156 375 1HB GLU 52 HB2 GLU 52 -31.436 20.292 -1.893 376 2HB GLU 52 HB3 GLU 52 -31.813 21.792 -1.060 377 1HG GLU 52 HG2 GLU 52 -30.794 23.081 -2.951 378 2HG GLU 52 HG3 GLU 52 -30.464 21.566 -3.787 379 HA PRO 53 HA PRO 53 -26.589 18.898 -2.296 380 1HB PRO 53 HB2 PRO 53 -28.182 16.433 -2.891 381 2HB PRO 53 HB3 PRO 53 -26.638 16.598 -2.031 382 1HG PRO 53 HG2 PRO 53 -28.935 16.181 -0.663 383 2HG PRO 53 HG3 PRO 53 -27.754 17.363 -0.037 384 1HD PRO 53 HD2 PRO 53 -30.241 17.920 -1.684 385 2HD PRO 53 HD3 PRO 53 -29.679 18.693 -0.195 386 H ILE 54 H ILE 54 -25.519 18.602 -4.157 387 HA ILE 54 HA ILE 54 -26.996 18.342 -6.735 388 HB ILE 54 HB ILE 54 -24.163 19.390 -6.368 389 1HG1 ILE 54 2HG1 ILE 54 -26.529 21.263 -6.755 390 2HG1 ILE 54 3HG1 ILE 54 -26.006 20.868 -5.142 391 1HG2 ILE 54 1HG2 ILE 54 -24.671 18.825 -8.692 392 2HG2 ILE 54 2HG2 ILE 54 -26.208 19.701 -8.617 393 3HG2 ILE 54 3HG2 ILE 54 -24.675 20.580 -8.574 394 1HD1 ILE 54 1HD1 ILE 54 -25.002 22.967 -5.934 395 2HD1 ILE 54 2HD1 ILE 54 -23.800 21.736 -5.466 396 3HD1 ILE 54 3HD1 ILE 54 -24.100 22.051 -7.178 397 H GLU 55 H GLU 55 -26.329 16.327 -4.849 398 HA GLU 55 HA GLU 55 -24.288 14.592 -4.993 399 1HB GLU 55 HB2 GLU 55 -25.921 12.731 -4.768 400 2HB GLU 55 HB3 GLU 55 -26.038 14.049 -3.582 401 1HG GLU 55 HG2 GLU 55 -28.015 14.933 -4.918 402 2HG GLU 55 HG3 GLU 55 -27.938 13.456 -5.897 403 H GLN 56 H GLN 56 -23.077 14.517 -6.836 404 HA GLN 56 HA GLN 56 -24.021 14.128 -9.400 405 1HB GLN 56 HB2 GLN 56 -21.269 13.475 -8.227 406 2HB GLN 56 HB3 GLN 56 -21.632 13.659 -9.954 407 1HG GLN 56 HG2 GLN 56 -22.319 16.015 -9.554 408 2HG GLN 56 HG3 GLN 56 -21.911 15.844 -7.845 409 1HE2 GLN 56 1HE2 GLN 56 -18.333 15.770 -8.502 410 2HE2 GLN 56 2HE2 GLN 56 -19.552 15.128 -7.406 411 H GLU 57 H GLU 57 -23.984 11.703 -7.060 412 HA GLU 57 HA GLU 57 -23.598 9.411 -8.888 413 1HB GLU 57 HB2 GLU 57 -24.127 9.706 -5.907 414 2HB GLU 57 HB3 GLU 57 -24.025 8.131 -6.712 415 1HG GLU 57 HG2 GLU 57 -21.758 10.172 -6.678 416 2HG GLU 57 HG3 GLU 57 -21.935 8.815 -5.545 417 H ASP 58 H ASP 58 -26.207 11.422 -8.106 418 HA ASP 58 HA ASP 58 -28.172 9.433 -9.127 419 1HB ASP 58 HB2 ASP 58 -28.043 9.141 -6.608 420 2HB ASP 58 HB3 ASP 58 -28.538 10.815 -6.454 421 H ASN 59 H ASN 59 -27.375 12.783 -8.258 422 HA ASN 59 HA ASN 59 -29.780 13.750 -9.753 423 1HB ASN 59 HB2 ASN 59 -27.704 15.196 -8.052 424 2HB ASN 59 HB3 ASN 59 -28.864 16.007 -9.125 425 1HD2 ASN 59 1HD2 ASN 59 -30.566 16.169 -5.970 426 2HD2 ASN 59 2HD2 ASN 59 -29.251 16.960 -6.799 427 H GLU 60 H GLU 60 -29.761 14.380 -11.746 428 HA GLU 60 HA GLU 60 -27.284 15.123 -13.242 429 1HB GLU 60 HB2 GLU 60 -29.146 12.793 -13.907 430 2HB GLU 60 HB3 GLU 60 -27.908 13.448 -14.990 431 1HG GLU 60 HG2 GLU 60 -26.181 12.890 -13.260 432 2HG GLU 60 HG3 GLU 60 -27.415 12.020 -12.365 433 H GLU 61 H GLU 61 -30.208 16.067 -12.440 434 HA GLU 61 HA GLU 61 -32.127 16.295 -14.165 435 1HB GLU 61 HB2 GLU 61 -31.087 18.802 -12.838 436 2HB GLU 61 HB3 GLU 61 -32.744 18.424 -13.244 437 1HG GLU 61 HG2 GLU 61 -31.050 17.238 -11.023 438 2HG GLU 61 HG3 GLU 61 -32.554 18.136 -10.888 439 H LYS 62 H LYS 62 -29.320 18.388 -14.673 440 HA LYS 62 HA LYS 62 -29.631 18.229 -17.557 441 1HB LYS 62 HB2 LYS 62 -29.780 20.624 -18.066 442 2HB LYS 62 HB3 LYS 62 -31.231 19.997 -17.271 443 1HG LYS 62 HG2 LYS 62 -30.360 21.053 -15.071 444 2HG LYS 62 HG3 LYS 62 -29.073 21.763 -16.033 445 1HD LYS 62 HD2 LYS 62 -30.929 22.712 -17.551 446 2HD LYS 62 HD3 LYS 62 -32.063 22.256 -16.260 447 1HE LYS 62 HE2 LYS 62 -30.692 23.540 -14.638 448 2HE LYS 62 HE3 LYS 62 -29.577 23.969 -15.941 449 1HZ LYS 62 HZ1 LYS 62 -32.378 24.871 -15.721 450 2HZ LYS 62 HZ2 LYS 62 -30.994 25.783 -15.545 451 3HZ LYS 62 HZ3 LYS 62 -31.398 25.190 -17.013 452 H TYR 63 H TYR 63 -27.746 17.196 -15.988 453 HA TYR 63 HA TYR 63 -25.296 18.543 -16.757 454 1HB TYR 63 HB2 TYR 63 -24.509 18.803 -14.346 455 2HB TYR 63 HB3 TYR 63 -25.617 19.983 -14.957 456 HD1 TYR 63 HD1 TYR 63 -27.645 20.448 -13.951 457 HD2 TYR 63 HD2 TYR 63 -25.409 16.977 -12.708 458 HE1 TYR 63 HE1 TYR 63 -29.094 20.253 -11.952 459 HE2 TYR 63 HE2 TYR 63 -26.830 16.818 -10.669 460 HH TYR 63 HH TYR 63 -29.475 19.141 -9.974 461 H SER 64 H SER 64 -23.369 17.563 -16.198 462 HA SER 64 HA SER 64 -23.232 14.929 -14.990 463 1HB SER 64 HB2 SER 64 -22.517 13.725 -16.987 464 2HB SER 64 HB3 SER 64 -24.186 14.308 -17.152 465 HG SER 64 HG SER 64 -22.893 14.670 -19.049 466 H PHE 65 H PHE 65 -20.955 14.009 -15.118 467 HA PHE 65 HA PHE 65 -18.908 16.130 -15.321 468 1HB PHE 65 HB2 PHE 65 -18.373 15.728 -13.076 469 2HB PHE 65 HB3 PHE 65 -20.136 15.907 -13.176 470 HD1 PHE 65 HD1 PHE 65 -21.581 13.731 -13.115 471 HD2 PHE 65 HD2 PHE 65 -17.400 13.819 -12.054 472 HE1 PHE 65 HE1 PHE 65 -21.800 11.512 -12.045 473 HE2 PHE 65 HE2 PHE 65 -17.658 11.588 -10.948 474 HZ PHE 65 HZ PHE 65 -19.858 10.431 -10.968 475 H ASN 66 H ASN 66 -16.729 14.996 -14.318 476 HA ASN 66 HA ASN 66 -16.185 12.422 -15.711 477 1HB ASN 66 HB2 ASN 66 -14.271 13.408 -16.885 478 2HB ASN 66 HB3 ASN 66 -15.798 14.099 -17.391 479 1HD2 ASN 66 1HD2 ASN 66 -13.205 16.616 -15.385 480 2HD2 ASN 66 2HD2 ASN 66 -13.396 15.015 -14.665 481 H TYR 67 H TYR 67 -13.705 12.032 -15.525 482 HA TYR 67 HA TYR 67 -12.816 11.098 -13.172 483 1HB TYR 67 HB2 TYR 67 -10.501 11.512 -14.070 484 2HB TYR 67 HB3 TYR 67 -11.628 10.616 -15.073 485 HD1 TYR 67 HD1 TYR 67 -12.221 11.336 -17.279 486 HD2 TYR 67 HD2 TYR 67 -10.036 14.019 -14.681 487 HE1 TYR 67 HE1 TYR 67 -11.903 12.899 -19.168 488 HE2 TYR 67 HE2 TYR 67 -9.687 15.556 -16.586 489 HH TYR 67 HH TYR 67 -10.063 15.969 -18.785 490 H ASP 68 H ASP 68 -11.546 11.633 -11.506 491 HA ASP 68 HA ASP 68 -10.827 12.718 -9.649 492 1HB ASP 68 HB2 ASP 68 -10.784 15.300 -11.229 493 2HB ASP 68 HB3 ASP 68 -10.182 15.040 -9.604 494 H GLY 69 H GLY 69 -13.808 13.341 -11.168 495 1HA GLY 69 HA2 GLY 69 -15.881 13.412 -10.166 496 2HA GLY 69 HA3 GLY 69 -15.123 13.501 -8.578 497 H SER 70 H SER 70 -13.884 15.947 -10.559 498 HA SER 70 HA SER 70 -15.336 17.927 -8.892 499 1HB SER 70 HB2 SER 70 -13.516 19.405 -9.366 500 2HB SER 70 HB3 SER 70 -12.934 17.844 -8.767 501 HG SER 70 HG SER 70 -12.174 17.363 -10.768 502 H GLU 71 H GLU 71 -14.752 17.484 -12.412 503 HA GLU 71 HA GLU 71 -15.824 20.161 -12.930 504 1HB GLU 71 HB2 GLU 71 -14.844 18.015 -14.801 505 2HB GLU 71 HB3 GLU 71 -15.375 19.620 -15.297 506 1HG GLU 71 HG2 GLU 71 -13.559 20.664 -14.028 507 2HG GLU 71 HG3 GLU 71 -13.088 19.110 -13.342 508 H LEU 72 H LEU 72 -17.878 20.376 -12.426 509 HA LEU 72 HA LEU 72 -19.949 18.568 -13.499 510 1HB LEU 72 HB2 LEU 72 -20.107 19.421 -11.196 511 2HB LEU 72 HB3 LEU 72 -20.072 21.077 -11.807 512 HG LEU 72 HG LEU 72 -22.243 20.617 -13.017 513 1HD1 LEU 72 1HD1 LEU 72 -22.102 18.021 -11.423 514 2HD1 LEU 72 2HD1 LEU 72 -23.563 18.655 -12.176 515 3HD1 LEU 72 3HD1 LEU 72 -22.203 18.203 -13.203 516 1HD2 LEU 72 1HD2 LEU 72 -23.660 20.774 -11.032 517 2HD2 LEU 72 2HD2 LEU 72 -22.325 20.190 -10.012 518 3HD2 LEU 72 3HD2 LEU 72 -22.200 21.741 -10.814 519 H ILE 73 H ILE 73 -20.598 18.832 -15.495 520 HA ILE 73 HA ILE 73 -20.519 21.479 -16.860 521 HB ILE 73 HB ILE 73 -21.095 18.775 -18.023 522 1HG1 ILE 73 2HG1 ILE 73 -18.402 20.103 -18.424 523 2HG1 ILE 73 3HG1 ILE 73 -18.664 19.065 -17.023 524 1HG2 ILE 73 1HG2 ILE 73 -20.571 20.027 -20.184 525 2HG2 ILE 73 2HG2 ILE 73 -21.956 20.697 -19.304 526 3HG2 ILE 73 3HG2 ILE 73 -20.394 21.488 -19.233 527 1HD1 ILE 73 1HD1 ILE 73 -19.118 18.119 -19.855 528 2HD1 ILE 73 2HD1 ILE 73 -17.664 17.841 -18.867 529 3HD1 ILE 73 3HD1 ILE 73 -19.217 17.180 -18.346 530 H ILE 74 H ILE 74 -22.360 22.577 -16.939 531 HA ILE 74 HA ILE 74 -24.990 21.175 -16.600 532 HB ILE 74 HB ILE 74 -24.344 24.086 -16.075 533 1HG1 ILE 74 2HG1 ILE 74 -24.855 21.934 -13.945 534 2HG1 ILE 74 3HG1 ILE 74 -23.236 22.470 -14.406 535 1HG2 ILE 74 1HG2 ILE 74 -26.579 24.109 -14.922 536 2HG2 ILE 74 2HG2 ILE 74 -26.727 23.738 -16.638 537 3HG2 ILE 74 3HG2 ILE 74 -26.836 22.429 -15.435 538 1HD1 ILE 74 1HD1 ILE 74 -23.812 23.606 -12.440 539 2HD1 ILE 74 2HD1 ILE 74 -23.806 24.787 -13.744 540 3HD1 ILE 74 3HD1 ILE 74 -25.337 24.209 -13.102 541 H LYS 75 H LYS 75 -26.581 21.567 -18.011 542 HA LYS 75 HA LYS 75 -26.053 23.381 -20.322 543 1HB LYS 75 HB2 LYS 75 -27.185 21.827 -21.812 544 2HB LYS 75 HB3 LYS 75 -25.697 21.157 -21.182 545 1HG LYS 75 HG2 LYS 75 -26.940 19.759 -19.592 546 2HG LYS 75 HG3 LYS 75 -28.473 20.516 -20.085 547 1HD LYS 75 HD2 LYS 75 -28.264 18.346 -21.081 548 2HD LYS 75 HD3 LYS 75 -28.184 19.580 -22.356 549 1HE LYS 75 HE2 LYS 75 -25.689 19.381 -22.393 550 2HE LYS 75 HE3 LYS 75 -25.776 18.147 -21.136 551 1HZ LYS 75 HZ1 LYS 75 -27.041 16.752 -22.673 552 2HZ LYS 75 HZ2 LYS 75 -27.002 17.900 -23.832 553 3HZ LYS 75 HZ3 LYS 75 -25.621 17.129 -23.361 554 H LYS 76 H LYS 76 -27.752 24.316 -21.199 555 HA LYS 76 HA LYS 76 -29.736 25.458 -21.383 556 1HB LYS 76 HB2 LYS 76 -31.164 23.493 -19.575 557 2HB LYS 76 HB3 LYS 76 -31.836 24.564 -20.799 558 1HG LYS 76 HG2 LYS 76 -30.396 23.171 -22.500 559 2HG LYS 76 HG3 LYS 76 -30.297 21.989 -21.173 560 1HD LYS 76 HD2 LYS 76 -32.852 23.121 -22.405 561 2HD LYS 76 HD3 LYS 76 -32.165 21.551 -22.792 562 1HE LYS 76 HE2 LYS 76 -33.043 22.327 -19.939 563 2HE LYS 76 HE3 LYS 76 -34.143 21.636 -21.147 564 1HZ LYS 76 HZ1 LYS 76 -32.763 19.686 -21.277 565 2HZ LYS 76 HZ2 LYS 76 -31.671 20.289 -20.241 566 3HZ LYS 76 HZ3 LYS 76 -33.192 19.918 -19.739 567 H VAL 77 H VAL 77 -27.909 26.470 -19.700 568 HA VAL 77 HA VAL 77 -28.786 26.952 -17.065 569 HB VAL 77 HB VAL 77 -26.785 28.371 -18.827 570 1HG1 VAL 77 1HG1 VAL 77 -27.401 30.028 -17.083 571 2HG1 VAL 77 2HG1 VAL 77 -27.278 28.784 -15.828 572 3HG1 VAL 77 3HG1 VAL 77 -25.833 29.336 -16.712 573 1HG2 VAL 77 1HG2 VAL 77 -26.202 26.023 -18.198 574 2HG2 VAL 77 2HG2 VAL 77 -25.155 27.147 -17.312 575 3HG2 VAL 77 3HG2 VAL 77 -26.544 26.382 -16.511 576 H ASP 78 H ASP 78 -29.921 28.468 -16.078 577 HA ASP 78 HA ASP 78 -30.686 31.017 -17.337 578 1HB ASP 78 HB2 ASP 78 -32.626 28.796 -16.601 579 2HB ASP 78 HB3 ASP 78 -33.150 30.465 -16.419 580 H LYS 79 H LYS 79 -32.131 32.231 -15.517 581 HA LYS 79 HA LYS 79 -30.464 32.653 -13.258 582 1HB LYS 79 HB2 LYS 79 -33.386 33.365 -13.785 583 2HB LYS 79 HB3 LYS 79 -32.565 33.852 -12.325 584 1HG LYS 79 HG2 LYS 79 -31.832 34.739 -15.133 585 2HG LYS 79 HG3 LYS 79 -32.561 35.677 -13.821 586 1HD LYS 79 HD2 LYS 79 -29.729 34.678 -14.095 587 2HD LYS 79 HD3 LYS 79 -30.248 36.341 -13.880 588 1HE LYS 79 HE2 LYS 79 -30.489 34.163 -11.734 589 2HE LYS 79 HE3 LYS 79 -29.101 35.195 -11.889 590 1HZ LYS 79 HZ1 LYS 79 -31.823 36.163 -11.313 591 2HZ LYS 79 HZ2 LYS 79 -30.569 36.022 -10.252 592 3HZ LYS 79 HZ3 LYS 79 -30.485 37.118 -11.451 593 H SER 80 H SER 80 -32.697 30.043 -13.563 594 HA SER 80 HA SER 80 -33.064 29.595 -10.717 595 1HB SER 80 HB2 SER 80 -33.949 27.395 -11.516 596 2HB SER 80 HB3 SER 80 -34.697 28.780 -12.300 597 HG SER 80 HG SER 80 -34.132 27.117 -13.783 598 H ASP 81 H ASP 81 -30.393 29.024 -12.879 599 HA ASP 81 HA ASP 81 -29.334 26.774 -11.340 600 1HB ASP 81 HB2 ASP 81 -28.215 28.474 -13.599 601 2HB ASP 81 HB3 ASP 81 -27.353 27.137 -12.851 602 H GLU 82 H GLU 82 -29.132 30.202 -11.071 603 HA GLU 82 HA GLU 82 -26.787 30.899 -9.874 604 1HB GLU 82 HB2 GLU 82 -28.838 32.312 -10.309 605 2HB GLU 82 HB3 GLU 82 -29.549 31.607 -8.843 606 1HG GLU 82 HG2 GLU 82 -27.563 32.563 -7.552 607 2HG GLU 82 HG3 GLU 82 -27.075 33.372 -9.055 608 H ALA 83 H ALA 83 -25.652 30.504 -8.079 609 HA ALA 83 HA ALA 83 -26.795 29.141 -5.724 610 1HB ALA 83 HB1 ALA 83 -24.629 27.804 -7.422 611 2HB ALA 83 HB2 ALA 83 -25.409 27.146 -5.976 612 3HB ALA 83 HB3 ALA 83 -26.318 27.324 -7.491 613 H GLU 84 H GLU 84 -25.015 28.527 -4.194 614 HA GLU 84 HA GLU 84 -22.528 30.062 -4.388 615 1HB GLU 84 HB2 GLU 84 -24.286 31.489 -3.226 616 2HB GLU 84 HB3 GLU 84 -24.253 30.338 -1.897 617 1HG GLU 84 HG2 GLU 84 -21.916 30.811 -1.446 618 2HG GLU 84 HG3 GLU 84 -21.736 31.701 -2.969 619 H TYR 85 H TYR 85 -22.050 27.925 -4.939 620 HA TYR 85 HA TYR 85 -22.696 25.571 -3.652 621 1HB TYR 85 HB2 TYR 85 -20.131 26.259 -5.132 622 2HB TYR 85 HB3 TYR 85 -20.731 24.640 -4.831 623 HD1 TYR 85 HD1 TYR 85 -23.368 24.418 -5.622 624 HD2 TYR 85 HD2 TYR 85 -20.335 26.927 -7.382 625 HE1 TYR 85 HE1 TYR 85 -24.503 24.255 -7.850 626 HE2 TYR 85 HE2 TYR 85 -21.488 26.770 -9.569 627 HH TYR 85 HH TYR 85 -24.487 24.889 -10.041 628 H ILE 86 H ILE 86 -22.018 24.400 -1.961 629 HA ILE 86 HA ILE 86 -19.374 25.047 -0.720 630 HB ILE 86 HB ILE 86 -21.857 24.105 0.792 631 1HG1 ILE 86 2HG1 ILE 86 -20.417 26.794 0.834 632 2HG1 ILE 86 3HG1 ILE 86 -22.035 26.489 0.188 633 1HG2 ILE 86 1HG2 ILE 86 -20.361 24.270 2.778 634 2HG2 ILE 86 2HG2 ILE 86 -19.679 23.140 1.618 635 3HG2 ILE 86 3HG2 ILE 86 -19.019 24.796 1.757 636 1HD1 ILE 86 1HD1 ILE 86 -22.777 25.837 2.481 637 2HD1 ILE 86 2HD1 ILE 86 -21.185 26.327 3.096 638 3HD1 ILE 86 3HD1 ILE 86 -22.234 27.529 2.345 639 H CYS 87 H CYS 87 -18.069 23.340 -0.735 640 HA CYS 87 HA CYS 87 -19.137 20.680 -1.461 641 1HB CYS 87 HB2 CYS 87 -17.280 20.431 -3.068 642 2HB CYS 87 HB3 CYS 87 -18.399 21.738 -3.452 643 H ILE 88 H ILE 88 -18.320 18.931 -0.609 644 HA ILE 88 HA ILE 88 -16.264 19.224 1.568 645 HB ILE 88 HB ILE 88 -18.937 17.756 1.654 646 1HG1 ILE 88 2HG1 ILE 88 -18.066 20.316 3.094 647 2HG1 ILE 88 3HG1 ILE 88 -19.253 20.201 1.775 648 1HG2 ILE 88 1HG2 ILE 88 -17.158 16.622 2.962 649 2HG2 ILE 88 2HG2 ILE 88 -16.800 18.142 3.811 650 3HG2 ILE 88 3HG2 ILE 88 -18.362 17.317 4.005 651 1HD1 ILE 88 1HD1 ILE 88 -19.574 19.140 4.614 652 2HD1 ILE 88 2HD1 ILE 88 -20.488 20.426 3.788 653 3HD1 ILE 88 3HD1 ILE 88 -20.683 18.723 3.276 654 H ALA 89 H ALA 89 -14.764 17.656 1.586 655 HA ALA 89 HA ALA 89 -15.314 15.074 0.177 656 1HB ALA 89 HB1 ALA 89 -12.953 14.907 -0.347 657 2HB ALA 89 HB2 ALA 89 -13.650 16.340 -1.111 658 3HB ALA 89 HB3 ALA 89 -12.656 16.516 0.363 659 H GLU 90 H GLU 90 -14.581 13.236 1.204 660 HA GLU 90 HA GLU 90 -13.598 13.236 3.919 661 1HB GLU 90 HB2 GLU 90 -15.964 14.069 4.189 662 2HB GLU 90 HB3 GLU 90 -16.533 12.545 3.466 663 1HG GLU 90 HG2 GLU 90 -15.265 11.335 5.320 664 2HG GLU 90 HG3 GLU 90 -14.886 12.919 5.995 665 H ASN 91 H ASN 91 -12.149 11.842 2.957 666 HA ASN 91 HA ASN 91 -13.171 9.292 1.799 667 1HB ASN 91 HB2 ASN 91 -11.324 9.069 0.533 668 2HB ASN 91 HB3 ASN 91 -11.458 10.812 0.547 669 1HD2 ASN 91 1HD2 ASN 91 -7.912 9.744 1.117 670 2HD2 ASN 91 2HD2 ASN 91 -9.135 9.282 -0.078 671 H LYS 92 H LYS 92 -11.359 7.503 2.257 672 HA LYS 92 HA LYS 92 -11.708 6.518 4.863 673 1HB LYS 92 HB2 LYS 92 -9.834 4.952 4.213 674 2HB LYS 92 HB3 LYS 92 -11.282 4.943 3.257 675 1HG LYS 92 HG2 LYS 92 -8.975 6.657 2.296 676 2HG LYS 92 HG3 LYS 92 -8.777 4.899 2.209 677 1HD LYS 92 HD2 LYS 92 -11.166 6.303 0.943 678 2HD LYS 92 HD3 LYS 92 -9.658 5.955 0.113 679 1HE LYS 92 HE2 LYS 92 -9.952 3.554 0.522 680 2HE LYS 92 HE3 LYS 92 -11.399 3.844 1.455 681 1HZ LYS 92 HZ1 LYS 92 -12.446 4.736 -0.548 682 2HZ LYS 92 HZ2 LYS 92 -11.100 4.456 -1.440 683 3HZ LYS 92 HZ3 LYS 92 -11.952 3.206 -0.847 684 H ALA 93 H ALA 93 -9.248 8.723 3.836 685 HA ALA 93 HA ALA 93 -7.625 8.255 6.295 686 1HB ALA 93 HB1 ALA 93 -6.467 8.055 4.164 687 2HB ALA 93 HB2 ALA 93 -7.033 9.644 3.662 688 3HB ALA 93 HB3 ALA 93 -5.884 9.517 5.009 689 H GLY 94 H GLY 94 -9.894 10.663 5.135 690 1HA GLY 94 HA2 GLY 94 -9.747 12.223 7.533 691 2HA GLY 94 HA3 GLY 94 -8.723 12.998 6.321 692 H GLU 95 H GLU 95 -10.056 14.823 6.474 693 HA GLU 95 HA GLU 95 -12.512 14.849 4.823 694 1HB GLU 95 HB2 GLU 95 -13.213 14.310 7.173 695 2HB GLU 95 HB3 GLU 95 -12.384 15.776 7.726 696 1HG GLU 95 HG2 GLU 95 -13.966 17.173 6.419 697 2HG GLU 95 HG3 GLU 95 -14.729 15.712 5.775 698 H GLN 96 H GLN 96 -13.035 16.901 3.992 699 HA GLN 96 HA GLN 96 -11.413 19.307 4.567 700 1HB GLN 96 HB2 GLN 96 -10.131 17.520 3.021 701 2HB GLN 96 HB3 GLN 96 -11.177 18.174 1.781 702 1HG GLN 96 HG2 GLN 96 -9.124 19.382 1.667 703 2HG GLN 96 HG3 GLN 96 -10.231 20.514 2.448 704 1HE2 GLN 96 1HE2 GLN 96 -7.822 17.895 3.223 705 2HE2 GLN 96 2HE2 GLN 96 -7.183 18.739 4.645 706 H ASP 97 H ASP 97 -12.051 21.166 2.992 707 HA ASP 97 HA ASP 97 -14.494 20.842 1.454 708 1HB ASP 97 HB2 ASP 97 -15.916 22.269 2.767 709 2HB ASP 97 HB3 ASP 97 -15.384 20.912 3.780 710 H ALA 98 H ALA 98 -15.186 22.655 0.277 711 HA ALA 98 HA ALA 98 -13.718 25.201 0.466 712 1HB ALA 98 HB1 ALA 98 -12.320 23.901 -1.082 713 2HB ALA 98 HB2 ALA 98 -13.713 23.558 -2.134 714 3HB ALA 98 HB3 ALA 98 -13.101 25.213 -1.953 715 H THR 99 H THR 99 -14.663 26.754 -1.360 716 HA THR 99 HA THR 99 -17.636 26.537 -1.577 717 HB THR 99 HB THR 99 -16.093 28.805 -0.236 718 HG1 THR 99 HG1 THR 99 -17.066 28.100 1.659 719 1HG2 THR 99 1HG2 THR 99 -18.322 29.640 0.493 720 2HG2 THR 99 2HG2 THR 99 -18.151 29.640 -1.267 721 3HG2 THR 99 3HG2 THR 99 -19.107 28.372 -0.491 722 H ILE 100 H ILE 100 -18.522 27.750 -3.261 723 HA ILE 100 HA ILE 100 -16.802 29.529 -4.895 724 HB ILE 100 HB ILE 100 -18.242 27.066 -5.918 725 1HG1 ILE 100 2HG1 ILE 100 -15.288 27.788 -6.070 726 2HG1 ILE 100 3HG1 ILE 100 -16.005 26.573 -4.990 727 1HG2 ILE 100 1HG2 ILE 100 -17.495 27.750 -8.225 728 2HG2 ILE 100 2HG2 ILE 100 -18.672 28.834 -7.519 729 3HG2 ILE 100 3HG2 ILE 100 -16.962 29.298 -7.543 730 1HD1 ILE 100 1HD1 ILE 100 -15.744 26.397 -7.994 731 2HD1 ILE 100 2HD1 ILE 100 -15.088 25.349 -6.749 732 3HD1 ILE 100 3HD1 ILE 100 -16.853 25.353 -7.067 733 H HIS 101 H HIS 101 -17.977 31.152 -5.964 734 HA HIS 101 HA HIS 101 -20.919 31.302 -5.434 735 1HB HIS 101 HB2 HIS 101 -19.116 33.374 -6.738 736 2HB HIS 101 HB3 HIS 101 -20.718 33.631 -6.108 737 HD1 HIS 101 HD1 HIS 101 -17.090 33.281 -4.987 738 HD2 HIS 101 HD2 HIS 101 -20.939 34.021 -3.412 739 HE1 HIS 101 HE1 HIS 101 -16.761 34.093 -2.555 740 H LEU 102 H LEU 102 -22.468 31.230 -7.104 741 HA LEU 102 HA LEU 102 -21.482 31.263 -9.896 742 1HB LEU 102 HB2 LEU 102 -21.779 28.987 -9.200 743 2HB LEU 102 HB3 LEU 102 -23.438 29.262 -8.742 744 HG LEU 102 HG LEU 102 -23.009 28.042 -10.916 745 1HD1 LEU 102 1HD1 LEU 102 -24.780 29.000 -12.161 746 2HD1 LEU 102 2HD1 LEU 102 -25.182 29.110 -10.443 747 3HD1 LEU 102 3HD1 LEU 102 -24.648 30.551 -11.344 748 1HD2 LEU 102 1HD2 LEU 102 -21.171 29.449 -11.764 749 2HD2 LEU 102 2HD2 LEU 102 -22.480 29.274 -12.939 750 3HD2 LEU 102 3HD2 LEU 102 -22.307 30.797 -12.062 751 H LYS 103 H LYS 103 -22.074 33.319 -10.168 752 HA LYS 103 HA LYS 103 -24.912 34.126 -9.600 753 1HB LYS 103 HB2 LYS 103 -22.485 35.901 -9.987 754 2HB LYS 103 HB3 LYS 103 -24.109 36.387 -9.481 755 1HG LYS 103 HG2 LYS 103 -22.100 34.719 -7.923 756 2HG LYS 103 HG3 LYS 103 -22.655 36.359 -7.561 757 1HD LYS 103 HD2 LYS 103 -24.951 35.455 -7.095 758 2HD LYS 103 HD3 LYS 103 -24.354 33.818 -7.390 759 1HE LYS 103 HE2 LYS 103 -22.646 34.150 -5.556 760 2HE LYS 103 HE3 LYS 103 -23.347 35.746 -5.255 761 1HZ LYS 103 HZ1 LYS 103 -24.204 34.057 -3.743 762 2HZ LYS 103 HZ2 LYS 103 -25.442 34.625 -4.671 763 3HZ LYS 103 HZ3 LYS 103 -24.763 33.151 -4.985 764 H VAL 104 H VAL 104 -25.982 33.449 -11.338 765 HA VAL 104 HA VAL 104 -25.176 33.916 -14.124 766 HB VAL 104 HB VAL 104 -27.948 33.284 -13.062 767 1HG1 VAL 104 1HG1 VAL 104 -27.797 33.908 -15.481 768 2HG1 VAL 104 2HG1 VAL 104 -26.630 32.592 -15.725 769 3HG1 VAL 104 3HG1 VAL 104 -28.280 32.229 -15.225 770 1HG2 VAL 104 1HG2 VAL 104 -27.422 30.879 -13.490 771 2HG2 VAL 104 2HG2 VAL 104 -25.706 31.335 -13.668 772 3HG2 VAL 104 3HG2 VAL 104 -26.546 31.556 -12.142 773 H PHE 105 H PHE 105 -25.796 35.632 -15.501 774 HA PHE 105 HA PHE 105 -27.414 37.825 -14.317 775 1HB PHE 105 HB2 PHE 105 -26.039 39.238 -15.748 776 2HB PHE 105 HB3 PHE 105 -25.124 38.451 -14.496 777 HD1 PHE 105 HD1 PHE 105 -23.368 36.794 -15.087 778 HD2 PHE 105 HD2 PHE 105 -25.682 38.794 -18.130 779 HE1 PHE 105 HE1 PHE 105 -21.732 36.072 -16.856 780 HE2 PHE 105 HE2 PHE 105 -24.061 38.074 -19.845 781 HZ PHE 105 HZ PHE 105 -22.099 36.690 -19.192 782 H ALA 106 H ALA 106 -28.919 38.840 -15.511 783 HA ALA 106 HA ALA 106 -29.969 37.367 -17.833 784 1HB ALA 106 HB1 ALA 106 -32.078 38.456 -17.274 785 2HB ALA 106 HB2 ALA 106 -31.408 37.641 -15.851 786 3HB ALA 106 HB3 ALA 106 -31.270 39.390 -16.009 787 H LYS 107 H LYS 107 -27.791 38.690 -18.529 788 HA LYS 107 HA LYS 107 -26.750 40.207 -19.887 789 1HB LYS 107 HB2 LYS 107 -29.497 40.678 -21.079 790 2HB LYS 107 HB3 LYS 107 -27.912 41.071 -21.799 791 1HG LYS 107 HG2 LYS 107 -27.333 38.665 -21.794 792 2HG LYS 107 HG3 LYS 107 -28.936 38.273 -21.151 793 1HD LYS 107 HD2 LYS 107 -29.902 39.434 -23.218 794 2HD LYS 107 HD3 LYS 107 -28.243 39.578 -23.824 795 1HE LYS 107 HE2 LYS 107 -29.224 37.658 -24.870 796 2HE LYS 107 HE3 LYS 107 -28.019 37.065 -23.709 797 1HZ LYS 107 HZ1 LYS 107 -29.800 36.499 -22.186 798 2HZ LYS 107 HZ2 LYS 107 -30.950 37.245 -23.120 799 3HZ LYS 107 HZ3 LYS 107 -30.230 35.875 -23.636 Start of MODEL 12 1 1H GLY 1 H1 GLY 1 -0.950 1.940 -4.523 2 2H GLY 1 H2 GLY 1 -1.510 0.629 -3.724 3 3H GLY 1 H3 GLY 1 -2.270 2.062 -3.541 4 1HA GLY 1 HA2 GLY 1 0.444 1.505 -2.602 5 2HA GLY 1 HA3 GLY 1 -0.383 3.061 -2.455 6 H LYS 2 H LYS 2 0.464 0.419 -0.737 7 HA LYS 2 HA LYS 2 -2.014 0.015 0.834 8 1HB LYS 2 HB2 LYS 2 -0.405 -1.793 -0.071 9 2HB LYS 2 HB3 LYS 2 0.709 -1.308 1.186 10 1HG LYS 2 HG2 LYS 2 -1.049 -1.860 2.912 11 2HG LYS 2 HG3 LYS 2 -2.152 -2.334 1.612 12 1HD LYS 2 HD2 LYS 2 -0.441 -4.043 0.907 13 2HD LYS 2 HD3 LYS 2 0.584 -3.572 2.306 14 1HE LYS 2 HE2 LYS 2 -1.271 -4.210 3.873 15 2HE LYS 2 HE3 LYS 2 -2.272 -4.667 2.493 16 1HZ LYS 2 HZ1 LYS 2 -0.602 -6.376 1.955 17 2HZ LYS 2 HZ2 LYS 2 0.300 -5.946 3.271 18 3HZ LYS 2 HZ3 LYS 2 -1.207 -6.597 3.450 19 H ASP 3 H ASP 3 -2.123 0.306 3.073 20 HA ASP 3 HA ASP 3 -0.562 2.484 4.230 21 1HB ASP 3 HB2 ASP 3 -3.013 2.162 4.439 22 2HB ASP 3 HB3 ASP 3 -2.721 0.770 5.467 23 H ILE 4 H ILE 4 -0.158 -0.919 4.192 24 HA ILE 4 HA ILE 4 1.420 -0.971 6.708 25 HB ILE 4 HB ILE 4 0.571 -3.404 5.141 26 1HG1 ILE 4 2HG1 ILE 4 -0.907 -1.915 7.385 27 2HG1 ILE 4 3HG1 ILE 4 -1.479 -2.182 5.732 28 1HG2 ILE 4 1HG2 ILE 4 2.469 -3.599 6.838 29 2HG2 ILE 4 2HG2 ILE 4 1.329 -3.030 8.056 30 3HG2 ILE 4 3HG2 ILE 4 1.069 -4.575 7.242 31 1HD1 ILE 4 1HD1 ILE 4 -1.493 -4.658 6.160 32 2HD1 ILE 4 2HD1 ILE 4 -1.141 -4.323 7.866 33 3HD1 ILE 4 3HD1 ILE 4 -2.658 -3.732 7.141 34 H GLN 5 H GLN 5 2.742 0.489 5.235 35 HA GLN 5 HA GLN 5 5.089 -0.867 4.102 36 1HB GLN 5 HB2 GLN 5 3.143 0.861 2.520 37 2HB GLN 5 HB3 GLN 5 4.803 0.701 2.032 38 1HG GLN 5 HG2 GLN 5 2.823 -1.577 2.191 39 2HG GLN 5 HG3 GLN 5 3.462 -0.790 0.743 40 1HE2 GLN 5 1HE2 GLN 5 5.492 -3.940 1.973 41 2HE2 GLN 5 2HE2 GLN 5 3.783 -3.624 2.314 42 H VAL 6 H VAL 6 6.482 1.241 3.161 43 HA VAL 6 HA VAL 6 6.729 3.189 5.361 44 HB VAL 6 HB VAL 6 8.332 3.227 2.798 45 1HG1 VAL 6 1HG1 VAL 6 10.042 4.300 4.252 46 2HG1 VAL 6 2HG1 VAL 6 8.543 5.227 4.274 47 3HG1 VAL 6 3HG1 VAL 6 8.930 4.184 5.647 48 1HG2 VAL 6 1HG2 VAL 6 8.850 1.619 5.346 49 2HG2 VAL 6 2HG2 VAL 6 8.619 0.974 3.715 50 3HG2 VAL 6 3HG2 VAL 6 10.049 1.934 4.080 51 H ILE 7 H ILE 7 4.305 3.383 4.499 52 HA ILE 7 HA ILE 7 3.823 5.922 3.044 53 HB ILE 7 HB ILE 7 2.586 3.209 2.328 54 1HG1 ILE 7 2HG1 ILE 7 4.345 4.949 0.566 55 2HG1 ILE 7 3HG1 ILE 7 4.825 3.457 1.338 56 1HG2 ILE 7 1HG2 ILE 7 1.287 4.390 0.622 57 2HG2 ILE 7 2HG2 ILE 7 0.909 5.046 2.192 58 3HG2 ILE 7 3HG2 ILE 7 1.985 5.952 1.112 59 1HD1 ILE 7 1HD1 ILE 7 3.018 2.232 0.058 60 2HD1 ILE 7 2HD1 ILE 7 2.781 3.718 -0.896 61 3HD1 ILE 7 3HD1 ILE 7 4.349 2.895 -0.902 62 H VAL 8 H VAL 8 1.951 6.929 3.894 63 HA VAL 8 HA VAL 8 0.293 5.447 5.910 64 HB VAL 8 HB VAL 8 1.409 8.250 6.284 65 1HG1 VAL 8 1HG1 VAL 8 0.458 8.039 8.576 66 2HG1 VAL 8 2HG1 VAL 8 -0.792 7.985 7.339 67 3HG1 VAL 8 3HG1 VAL 8 -0.254 6.468 8.121 68 1HG2 VAL 8 1HG2 VAL 8 3.200 6.593 6.679 69 2HG2 VAL 8 2HG2 VAL 8 2.668 7.234 8.225 70 3HG2 VAL 8 3HG2 VAL 8 2.112 5.636 7.725 71 H ASN 9 H ASN 9 -1.764 5.679 5.559 72 HA ASN 9 HA ASN 9 -3.097 6.808 3.523 73 1HB ASN 9 HB2 ASN 9 -5.138 6.737 4.895 74 2HB ASN 9 HB3 ASN 9 -4.148 5.310 5.096 75 1HD2 ASN 9 1HD2 ASN 9 -3.404 5.926 8.545 76 2HD2 ASN 9 2HD2 ASN 9 -2.891 5.043 7.113 77 H VAL 10 H VAL 10 -3.710 8.635 2.716 78 HA VAL 10 HA VAL 10 -2.934 11.161 4.030 79 HB VAL 10 HB VAL 10 -3.424 10.499 1.115 80 1HG1 VAL 10 1HG1 VAL 10 -2.286 12.702 0.682 81 2HG1 VAL 10 2HG1 VAL 10 -3.872 12.847 1.421 82 3HG1 VAL 10 3HG1 VAL 10 -2.423 13.047 2.416 83 1HG2 VAL 10 1HG2 VAL 10 -1.383 9.436 1.964 84 2HG2 VAL 10 2HG2 VAL 10 -0.951 10.786 0.935 85 3HG2 VAL 10 3HG2 VAL 10 -0.846 10.980 2.692 86 HA PRO 11 HA PRO 11 -7.400 12.091 4.515 87 1HB PRO 11 HB2 PRO 11 -6.191 14.831 4.848 88 2HB PRO 11 HB3 PRO 11 -7.489 14.048 5.801 89 1HG PRO 11 HG2 PRO 11 -4.942 14.165 6.757 90 2HG PRO 11 HG3 PRO 11 -5.891 12.657 6.940 91 1HD PRO 11 HD2 PRO 11 -3.784 13.349 4.890 92 2HD PRO 11 HD3 PRO 11 -4.007 11.826 5.796 93 HA PRO 12 HA PRO 12 -8.514 13.795 0.605 94 1HB PRO 12 HB2 PRO 12 -10.710 15.409 1.831 95 2HB PRO 12 HB3 PRO 12 -10.790 14.139 0.574 96 1HG PRO 12 HG2 PRO 12 -11.595 13.640 3.106 97 2HG PRO 12 HG3 PRO 12 -10.679 12.416 2.193 98 1HD PRO 12 HD2 PRO 12 -9.625 14.478 4.172 99 2HD PRO 12 HD3 PRO 12 -9.357 12.717 4.184 100 H SER 13 H SER 13 -8.704 15.651 -0.704 101 HA SER 13 HA SER 13 -7.904 18.326 0.270 102 1HB SER 13 HB2 SER 13 -6.011 18.406 -1.286 103 2HB SER 13 HB3 SER 13 -5.793 17.289 0.090 104 HG SER 13 HG SER 13 -6.577 15.640 -1.486 105 H VAL 14 H VAL 14 -10.068 18.715 -0.296 106 HA VAL 14 HA VAL 14 -10.616 18.725 -3.198 107 HB VAL 14 HB VAL 14 -12.317 17.686 -1.874 108 1HG1 VAL 14 1HG1 VAL 14 -13.833 18.889 -0.457 109 2HG1 VAL 14 2HG1 VAL 14 -12.209 19.158 0.188 110 3HG1 VAL 14 3HG1 VAL 14 -13.016 20.428 -0.757 111 1HG2 VAL 14 1HG2 VAL 14 -12.838 18.800 -4.026 112 2HG2 VAL 14 2HG2 VAL 14 -14.209 18.709 -2.903 113 3HG2 VAL 14 3HG2 VAL 14 -13.349 20.238 -3.100 114 H ARG 15 H ARG 15 -10.091 20.431 -4.296 115 HA ARG 15 HA ARG 15 -10.004 23.141 -3.012 116 1HB ARG 15 HB2 ARG 15 -8.305 22.008 -5.285 117 2HB ARG 15 HB3 ARG 15 -8.347 23.699 -4.801 118 1HG ARG 15 HG2 ARG 15 -6.508 22.932 -3.675 119 2HG ARG 15 HG3 ARG 15 -7.783 22.975 -2.459 120 1HD ARG 15 HD2 ARG 15 -6.270 20.970 -2.286 121 2HD ARG 15 HD3 ARG 15 -7.961 20.573 -2.425 122 HE ARG 15 HE ARG 15 -7.589 19.646 -4.577 123 1HH1 ARG 15 1HH1 ARG 15 -3.714 20.282 -4.827 124 2HH1 ARG 15 2HH1 ARG 15 -4.564 20.989 -3.486 125 1HH2 ARG 15 1HH2 ARG 15 -4.761 19.137 -6.353 126 2HH2 ARG 15 2HH2 ARG 15 -6.502 18.952 -6.302 127 H ALA 16 H ALA 16 -10.740 24.830 -3.962 128 HA ALA 16 HA ALA 16 -12.764 24.505 -6.119 129 1HB ALA 16 HB1 ALA 16 -12.086 26.910 -4.345 130 2HB ALA 16 HB2 ALA 16 -13.328 26.877 -5.600 131 3HB ALA 16 HB3 ALA 16 -13.473 25.813 -4.194 132 H ARG 17 H ARG 17 -11.788 24.268 -8.035 133 HA ARG 17 HA ARG 17 -9.306 25.654 -8.754 134 1HB ARG 17 HB2 ARG 17 -11.203 24.075 -10.530 135 2HB ARG 17 HB3 ARG 17 -9.584 24.660 -10.959 136 1HG ARG 17 HG2 ARG 17 -8.757 23.354 -8.876 137 2HG ARG 17 HG3 ARG 17 -10.340 22.533 -8.948 138 1HD ARG 17 HD2 ARG 17 -8.193 22.661 -11.131 139 2HD ARG 17 HD3 ARG 17 -8.580 21.261 -10.129 140 HE ARG 17 HE ARG 17 -10.642 20.939 -11.300 141 1HH1 ARG 17 1HH1 ARG 17 -11.593 20.716 -13.196 142 2HH1 ARG 17 2HH1 ARG 17 -11.200 21.765 -14.534 143 1HH2 ARG 17 1HH2 ARG 17 -8.744 23.485 -12.869 144 2HH2 ARG 17 2HH2 ARG 17 -9.618 23.273 -14.359 145 H GLN 18 H GLN 18 -12.684 26.209 -9.365 146 HA GLN 18 HA GLN 18 -12.131 28.825 -10.705 147 1HB GLN 18 HB2 GLN 18 -14.747 27.323 -10.224 148 2HB GLN 18 HB3 GLN 18 -14.562 28.860 -11.093 149 1HG GLN 18 HG2 GLN 18 -13.533 26.128 -11.979 150 2HG GLN 18 HG3 GLN 18 -14.851 27.084 -12.709 151 1HE2 GLN 18 1HE2 GLN 18 -12.531 29.305 -14.405 152 2HE2 GLN 18 2HE2 GLN 18 -14.160 29.234 -13.725 153 H SER 19 H SER 19 -13.115 30.760 -9.710 154 HA SER 19 HA SER 19 -13.701 30.457 -6.776 155 1HB SER 19 HB2 SER 19 -12.730 32.929 -8.228 156 2HB SER 19 HB3 SER 19 -13.061 32.770 -6.496 157 HG SER 19 HG SER 19 -10.830 32.496 -6.935 158 H THR 20 H THR 20 -14.688 32.319 -9.645 159 HA THR 20 HA THR 20 -17.505 32.515 -8.678 160 HB THR 20 HB THR 20 -15.918 34.969 -9.486 161 HG1 THR 20 HG1 THR 20 -15.371 34.506 -7.417 162 1HG2 THR 20 1HG2 THR 20 -18.335 35.113 -10.107 163 2HG2 THR 20 2HG2 THR 20 -18.795 34.574 -8.501 164 3HG2 THR 20 3HG2 THR 20 -18.008 36.159 -8.710 165 H MET 21 H MET 21 -18.721 31.901 -10.238 166 HA MET 21 HA MET 21 -17.911 32.148 -13.092 167 1HB MET 21 HB2 MET 21 -19.872 30.286 -11.687 168 2HB MET 21 HB3 MET 21 -19.547 30.295 -13.423 169 1HG MET 21 HG2 MET 21 -17.547 29.710 -11.197 170 2HG MET 21 HG3 MET 21 -18.318 28.530 -12.228 171 1HE MET 21 HE1 MET 21 -18.048 28.542 -14.929 172 2HE MET 21 HE2 MET 21 -18.002 30.312 -15.184 173 3HE MET 21 HE3 MET 21 -16.665 29.298 -15.762 174 H ASN 22 H ASN 22 -19.889 32.322 -14.575 175 HA ASN 22 HA ASN 22 -22.182 33.833 -13.639 176 1HB ASN 22 HB2 ASN 22 -21.675 35.862 -14.938 177 2HB ASN 22 HB3 ASN 22 -20.506 35.625 -13.673 178 1HD2 ASN 22 1HD2 ASN 22 -19.325 35.501 -17.578 179 2HD2 ASN 22 2HD2 ASN 22 -21.017 35.571 -17.187 180 H ALA 23 H ALA 23 -23.638 34.465 -15.391 181 HA ALA 23 HA ALA 23 -23.409 33.199 -18.005 182 1HB ALA 23 HB1 ALA 23 -25.310 32.062 -15.913 183 2HB ALA 23 HB2 ALA 23 -25.365 31.689 -17.651 184 3HB ALA 23 HB3 ALA 23 -23.953 31.215 -16.694 185 H THR 24 H THR 24 -25.141 33.753 -19.424 186 HA THR 24 HA THR 24 -26.895 36.015 -18.583 187 HB THR 24 HB THR 24 -26.362 35.055 -21.415 188 HG1 THR 24 HG1 THR 24 -24.975 36.801 -21.552 189 1HG2 THR 24 1HG2 THR 24 -28.443 36.363 -21.164 190 2HG2 THR 24 2HG2 THR 24 -27.553 37.626 -20.286 191 3HG2 THR 24 3HG2 THR 24 -27.207 37.311 -21.991 192 H ALA 25 H ALA 25 -28.653 35.187 -17.714 193 HA ALA 25 HA ALA 25 -29.989 32.752 -18.544 194 1HB ALA 25 HB1 ALA 25 -30.797 35.004 -16.683 195 2HB ALA 25 HB2 ALA 25 -31.673 33.475 -16.925 196 3HB ALA 25 HB3 ALA 25 -30.045 33.423 -16.260 197 H ASN 26 H ASN 26 -32.387 32.875 -18.984 198 HA ASN 26 HA ASN 26 -34.054 33.158 -20.440 199 1HB ASN 26 HB2 ASN 26 -32.862 35.793 -21.393 200 2HB ASN 26 HB3 ASN 26 -34.456 35.184 -21.724 201 1HD2 ASN 26 1HD2 ASN 26 -34.602 37.729 -19.016 202 2HD2 ASN 26 2HD2 ASN 26 -33.808 37.689 -20.587 203 H LEU 27 H LEU 27 -30.841 32.905 -21.368 204 HA LEU 27 HA LEU 27 -31.456 32.169 -24.187 205 1HB LEU 27 HB2 LEU 27 -28.835 32.845 -22.822 206 2HB LEU 27 HB3 LEU 27 -29.035 32.470 -24.538 207 HG LEU 27 HG LEU 27 -30.119 34.909 -23.076 208 1HD1 LEU 27 1HD1 LEU 27 -27.673 34.963 -23.474 209 2HD1 LEU 27 2HD1 LEU 27 -27.953 34.651 -25.195 210 3HD1 LEU 27 3HD1 LEU 27 -28.535 36.144 -24.458 211 1HD2 LEU 27 1HD2 LEU 27 -30.321 34.165 -26.026 212 2HD2 LEU 27 2HD2 LEU 27 -31.675 34.295 -24.897 213 3HD2 LEU 27 3HD2 LEU 27 -30.734 35.756 -25.307 214 H SER 28 H SER 28 -31.212 30.564 -21.299 215 HA SER 28 HA SER 28 -30.823 28.427 -20.619 216 1HB SER 28 HB2 SER 28 -31.518 27.879 -23.534 217 2HB SER 28 HB3 SER 28 -31.519 26.677 -22.237 218 HG SER 28 HG SER 28 -33.604 27.660 -22.627 219 H GLN 29 H GLN 29 -28.426 29.697 -20.990 220 HA GLN 29 HA GLN 29 -26.554 28.428 -22.709 221 1HB GLN 29 HB2 GLN 29 -26.299 30.087 -20.174 222 2HB GLN 29 HB3 GLN 29 -24.874 29.445 -20.999 223 1HG GLN 29 HG2 GLN 29 -25.575 30.541 -23.086 224 2HG GLN 29 HG3 GLN 29 -26.992 31.241 -22.263 225 1HE2 GLN 29 1HE2 GLN 29 -24.164 33.766 -22.286 226 2HE2 GLN 29 2HE2 GLN 29 -25.000 32.862 -23.562 227 H SER 30 H SER 30 -24.732 27.115 -22.235 228 HA SER 30 HA SER 30 -25.048 25.202 -19.952 229 1HB SER 30 HB2 SER 30 -23.717 24.733 -22.642 230 2HB SER 30 HB3 SER 30 -23.712 23.621 -21.245 231 HG SER 30 HG SER 30 -25.919 24.500 -22.806 232 H VAL 31 H VAL 31 -23.313 24.904 -18.602 233 HA VAL 31 HA VAL 31 -20.917 26.725 -18.947 234 HB VAL 31 HB VAL 31 -22.741 26.599 -16.506 235 1HG1 VAL 31 1HG1 VAL 31 -21.263 28.415 -15.596 236 2HG1 VAL 31 2HG1 VAL 31 -20.424 26.891 -15.778 237 3HG1 VAL 31 3HG1 VAL 31 -20.165 28.187 -16.969 238 1HG2 VAL 31 1HG2 VAL 31 -23.142 28.983 -16.979 239 2HG2 VAL 31 2HG2 VAL 31 -22.157 28.877 -18.440 240 3HG2 VAL 31 3HG2 VAL 31 -23.677 27.993 -18.341 241 H THR 32 H THR 32 -19.033 25.827 -18.419 242 HA THR 32 HA THR 32 -18.929 23.374 -16.711 243 HB THR 32 HB THR 32 -16.652 24.677 -18.238 244 HG1 THR 32 HG1 THR 32 -17.040 23.184 -19.836 245 1HG2 THR 32 1HG2 THR 32 -15.909 23.147 -16.447 246 2HG2 THR 32 2HG2 THR 32 -17.033 21.911 -16.999 247 3HG2 THR 32 3HG2 THR 32 -15.666 22.379 -18.027 248 H LEU 33 H LEU 33 -18.087 23.437 -14.723 249 HA LEU 33 HA LEU 33 -16.273 25.503 -13.766 250 1HB LEU 33 HB2 LEU 33 -17.789 26.034 -11.806 251 2HB LEU 33 HB3 LEU 33 -18.118 26.733 -13.388 252 HG LEU 33 HG LEU 33 -19.991 25.191 -13.759 253 1HD1 LEU 33 1HD1 LEU 33 -20.925 23.946 -11.815 254 2HD1 LEU 33 2HD1 LEU 33 -19.362 23.296 -12.358 255 3HD1 LEU 33 3HD1 LEU 33 -19.433 24.307 -10.901 256 1HD2 LEU 33 1HD2 LEU 33 -21.497 26.269 -12.126 257 2HD2 LEU 33 2HD2 LEU 33 -20.084 26.796 -11.180 258 3HD2 LEU 33 3HD2 LEU 33 -20.320 27.423 -12.830 259 H ALA 34 H ALA 34 -15.491 24.929 -11.407 260 HA ALA 34 HA ALA 34 -15.643 22.007 -11.029 261 1HB ALA 34 HB1 ALA 34 -13.230 21.719 -11.648 262 2HB ALA 34 HB2 ALA 34 -14.167 22.344 -13.007 263 3HB ALA 34 HB3 ALA 34 -13.128 23.435 -12.030 264 H CYS 35 H CYS 35 -14.757 21.106 -9.353 265 HA CYS 35 HA CYS 35 -12.971 22.509 -7.553 266 1HB CYS 35 HB2 CYS 35 -15.182 23.127 -6.684 267 2HB CYS 35 HB3 CYS 35 -15.643 21.432 -6.548 268 H ASP 36 H ASP 36 -11.308 20.979 -7.558 269 HA ASP 36 HA ASP 36 -11.938 18.192 -8.245 270 1HB ASP 36 HB2 ASP 36 -9.745 17.973 -8.945 271 2HB ASP 36 HB3 ASP 36 -10.154 19.641 -9.348 272 H ALA 37 H ALA 37 -11.669 16.377 -6.899 273 HA ALA 37 HA ALA 37 -10.545 16.896 -4.153 274 1HB ALA 37 HB1 ALA 37 -11.951 15.034 -3.408 275 2HB ALA 37 HB2 ALA 37 -12.939 16.301 -4.158 276 3HB ALA 37 HB3 ALA 37 -12.576 14.803 -5.054 277 H ASP 38 H ASP 38 -8.962 15.562 -3.361 278 HA ASP 38 HA ASP 38 -8.146 13.090 -4.778 279 1HB ASP 38 HB2 ASP 38 -6.967 14.933 -5.936 280 2HB ASP 38 HB3 ASP 38 -6.337 15.516 -4.409 281 H GLY 39 H GLY 39 -6.445 11.914 -3.502 282 1HA GLY 39 HA2 GLY 39 -5.536 12.295 -0.969 283 2HA GLY 39 HA3 GLY 39 -7.172 11.684 -0.689 284 H PHE 40 H PHE 40 -5.287 10.016 0.289 285 HA PHE 40 HA PHE 40 -5.221 7.753 -1.663 286 1HB PHE 40 HB2 PHE 40 -2.755 8.757 -0.221 287 2HB PHE 40 HB3 PHE 40 -2.911 7.242 -1.093 288 HD1 PHE 40 HD1 PHE 40 -3.180 7.231 -3.604 289 HD2 PHE 40 HD2 PHE 40 -2.356 10.838 -1.386 290 HE1 PHE 40 HE1 PHE 40 -2.432 8.319 -5.676 291 HE2 PHE 40 HE2 PHE 40 -1.632 11.944 -3.489 292 HZ PHE 40 HZ PHE 40 -1.623 10.675 -5.634 293 HA PRO 41 HA PRO 41 -6.226 5.768 -1.614 294 1HB PRO 41 HB2 PRO 41 -8.638 5.115 0.049 295 2HB PRO 41 HB3 PRO 41 -7.837 4.137 -1.182 296 1HG PRO 41 HG2 PRO 41 -7.431 3.571 1.440 297 2HG PRO 41 HG3 PRO 41 -6.049 3.572 0.309 298 1HD PRO 41 HD2 PRO 41 -6.905 5.788 2.171 299 2HD PRO 41 HD3 PRO 41 -5.275 5.107 1.900 300 H GLU 42 H GLU 42 -7.797 6.468 -3.051 301 HA GLU 42 HA GLU 42 -8.429 9.161 -3.043 302 1HB GLU 42 HB2 GLU 42 -9.766 8.792 -5.032 303 2HB GLU 42 HB3 GLU 42 -8.262 7.848 -5.055 304 1HG GLU 42 HG2 GLU 42 -9.565 5.818 -4.340 305 2HG GLU 42 HG3 GLU 42 -11.058 6.784 -4.436 306 HA PRO 43 HA PRO 43 -12.012 9.527 -0.504 307 1HB PRO 43 HB2 PRO 43 -12.574 12.159 -0.771 308 2HB PRO 43 HB3 PRO 43 -10.935 11.660 -0.221 309 1HG PRO 43 HG2 PRO 43 -11.841 12.313 -3.043 310 2HG PRO 43 HG3 PRO 43 -10.471 13.053 -2.153 311 1HD PRO 43 HD2 PRO 43 -10.055 10.968 -3.832 312 2HD PRO 43 HD3 PRO 43 -9.193 11.064 -2.274 313 H THR 44 H THR 44 -14.158 10.225 -0.343 314 HA THR 44 HA THR 44 -15.839 9.965 -2.832 315 HB THR 44 HB THR 44 -16.576 9.667 0.121 316 HG1 THR 44 HG1 THR 44 -15.389 7.957 -0.781 317 1HG2 THR 44 1HG2 THR 44 -18.735 8.759 -0.770 318 2HG2 THR 44 2HG2 THR 44 -18.543 10.471 -1.116 319 3HG2 THR 44 3HG2 THR 44 -18.263 9.268 -2.406 320 H MET 45 H MET 45 -16.882 11.858 -3.476 321 HA MET 45 HA MET 45 -16.863 14.173 -1.631 322 1HB MET 45 HB2 MET 45 -15.807 15.589 -3.271 323 2HB MET 45 HB3 MET 45 -14.793 14.183 -3.015 324 1HG MET 45 HG2 MET 45 -14.719 14.188 -5.311 325 2HG MET 45 HG3 MET 45 -16.210 13.265 -5.132 326 1HE MET 45 HE1 MET 45 -15.162 17.104 -4.923 327 2HE MET 45 HE2 MET 45 -14.464 16.466 -6.434 328 3HE MET 45 HE3 MET 45 -15.746 17.669 -6.514 329 H THR 46 H THR 46 -18.300 15.821 -2.019 330 HA THR 46 HA THR 46 -20.257 15.681 -4.203 331 HB THR 46 HB THR 46 -22.244 15.803 -2.715 332 HG1 THR 46 HG1 THR 46 -21.974 15.158 -0.543 333 1HG2 THR 46 1HG2 THR 46 -21.603 13.602 -3.648 334 2HG2 THR 46 2HG2 THR 46 -20.765 13.240 -2.106 335 3HG2 THR 46 3HG2 THR 46 -22.514 13.529 -2.154 336 H TRP 47 H TRP 47 -21.869 17.549 -3.955 337 HA TRP 47 HA TRP 47 -20.958 19.837 -2.458 338 1HB TRP 47 HB2 TRP 47 -20.570 21.269 -4.513 339 2HB TRP 47 HB3 TRP 47 -19.318 20.256 -3.914 340 HD1 TRP 47 HD1 TRP 47 -18.781 17.919 -5.210 341 HE1 TRP 47 HE1 TRP 47 -18.015 17.921 -7.653 342 HE3 TRP 47 HE3 TRP 47 -21.083 22.215 -6.754 343 HZ2 TRP 47 HZ2 TRP 47 -17.976 19.811 -9.826 344 HZ3 TRP 47 HZ3 TRP 47 -20.492 23.208 -8.959 345 HH2 TRP 47 HH2 TRP 47 -18.925 22.030 -10.466 346 H THR 48 H THR 48 -22.224 21.801 -2.715 347 HA THR 48 HA THR 48 -25.094 20.979 -3.074 348 HB THR 48 HB THR 48 -25.620 22.401 -1.216 349 HG1 THR 48 HG1 THR 48 -23.908 23.304 -0.016 350 1HG2 THR 48 1HG2 THR 48 -24.607 21.185 0.578 351 2HG2 THR 48 2HG2 THR 48 -24.904 20.048 -0.745 352 3HG2 THR 48 3HG2 THR 48 -23.257 20.644 -0.452 353 H LYS 49 H LYS 49 -26.687 22.446 -3.576 354 HA LYS 49 HA LYS 49 -25.896 24.694 -5.401 355 1HB LYS 49 HB2 LYS 49 -27.333 22.617 -6.029 356 2HB LYS 49 HB3 LYS 49 -28.608 23.330 -5.074 357 1HG LYS 49 HG2 LYS 49 -29.116 24.010 -7.248 358 2HG LYS 49 HG3 LYS 49 -28.331 25.440 -6.608 359 1HD LYS 49 HD2 LYS 49 -26.218 24.781 -7.746 360 2HD LYS 49 HD3 LYS 49 -26.993 23.312 -8.334 361 1HE LYS 49 HE2 LYS 49 -28.655 24.704 -9.572 362 2HE LYS 49 HE3 LYS 49 -27.853 26.162 -8.970 363 1HZ LYS 49 HZ1 LYS 49 -26.655 24.158 -10.759 364 2HZ LYS 49 HZ2 LYS 49 -27.120 25.682 -11.187 365 3HZ LYS 49 HZ3 LYS 49 -25.865 25.459 -10.167 366 H ASP 50 H ASP 50 -25.469 25.476 -2.947 367 HA ASP 50 HA ASP 50 -25.929 26.848 -1.195 368 1HB ASP 50 HB2 ASP 50 -26.094 28.396 -3.141 369 2HB ASP 50 HB3 ASP 50 -27.834 28.221 -3.125 370 H GLY 51 H GLY 51 -27.631 24.407 -1.298 371 1HA GLY 51 HA2 GLY 51 -29.086 24.768 1.025 372 2HA GLY 51 HA3 GLY 51 -30.268 25.028 -0.268 373 H GLU 52 H GLU 52 -28.705 22.834 -1.870 374 HA GLU 52 HA GLU 52 -29.196 20.407 -0.304 375 1HB GLU 52 HB2 GLU 52 -30.901 19.495 -1.795 376 2HB GLU 52 HB3 GLU 52 -31.447 21.009 -1.064 377 1HG GLU 52 HG2 GLU 52 -30.848 22.181 -3.244 378 2HG GLU 52 HG3 GLU 52 -30.397 20.620 -3.909 379 HA PRO 53 HA PRO 53 -25.982 18.818 -2.670 380 1HB PRO 53 HB2 PRO 53 -27.374 16.194 -3.114 381 2HB PRO 53 HB3 PRO 53 -25.783 16.513 -2.383 382 1HG PRO 53 HG2 PRO 53 -27.900 15.922 -0.802 383 2HG PRO 53 HG3 PRO 53 -26.776 17.239 -0.349 384 1HD PRO 53 HD2 PRO 53 -29.455 17.505 -1.731 385 2HD PRO 53 HD3 PRO 53 -28.834 18.397 -0.316 386 H ILE 54 H ILE 54 -25.060 18.585 -4.591 387 HA ILE 54 HA ILE 54 -26.579 18.280 -7.140 388 HB ILE 54 HB ILE 54 -23.744 19.285 -6.607 389 1HG1 ILE 54 2HG1 ILE 54 -26.145 20.993 -7.418 390 2HG1 ILE 54 3HG1 ILE 54 -25.679 20.760 -5.727 391 1HG2 ILE 54 1HG2 ILE 54 -25.441 19.412 -9.157 392 2HG2 ILE 54 2HG2 ILE 54 -23.845 20.184 -8.950 393 3HG2 ILE 54 3HG2 ILE 54 -23.981 18.446 -8.941 394 1HD1 ILE 54 1HD1 ILE 54 -24.811 22.836 -6.613 395 2HD1 ILE 54 2HD1 ILE 54 -23.525 21.704 -6.055 396 3HD1 ILE 54 3HD1 ILE 54 -23.821 21.956 -7.775 397 H GLU 55 H GLU 55 -26.517 16.141 -5.551 398 HA GLU 55 HA GLU 55 -24.361 14.385 -5.631 399 1HB GLU 55 HB2 GLU 55 -26.012 12.652 -4.997 400 2HB GLU 55 HB3 GLU 55 -26.180 14.146 -4.074 401 1HG GLU 55 HG2 GLU 55 -28.148 14.765 -5.534 402 2HG GLU 55 HG3 GLU 55 -28.003 13.190 -6.313 403 H GLN 56 H GLN 56 -23.450 13.249 -7.074 404 HA GLN 56 HA GLN 56 -23.985 13.451 -9.799 405 1HB GLN 56 HB2 GLN 56 -22.128 11.489 -8.364 406 2HB GLN 56 HB3 GLN 56 -22.046 11.967 -10.034 407 1HG GLN 56 HG2 GLN 56 -20.483 13.406 -9.325 408 2HG GLN 56 HG3 GLN 56 -21.860 14.446 -9.027 409 1HE2 GLN 56 1HE2 GLN 56 -19.508 13.429 -5.902 410 2HE2 GLN 56 2HE2 GLN 56 -19.062 13.130 -7.574 411 H GLU 57 H GLU 57 -25.260 11.123 -7.601 412 HA GLU 57 HA GLU 57 -25.576 9.032 -9.622 413 1HB GLU 57 HB2 GLU 57 -26.417 8.880 -6.706 414 2HB GLU 57 HB3 GLU 57 -26.078 7.577 -7.808 415 1HG GLU 57 HG2 GLU 57 -24.081 7.475 -6.845 416 2HG GLU 57 HG3 GLU 57 -23.656 8.819 -7.894 417 H ASP 58 H ASP 58 -27.530 11.555 -8.602 418 HA ASP 58 HA ASP 58 -30.017 10.267 -9.633 419 1HB ASP 58 HB2 ASP 58 -29.763 9.576 -7.211 420 2HB ASP 58 HB3 ASP 58 -29.831 11.291 -6.779 421 H ASN 59 H ASN 59 -28.303 13.226 -8.717 422 HA ASN 59 HA ASN 59 -30.648 14.869 -9.580 423 1HB ASN 59 HB2 ASN 59 -29.605 15.276 -7.382 424 2HB ASN 59 HB3 ASN 59 -28.054 15.610 -8.127 425 1HD2 ASN 59 1HD2 ASN 59 -28.939 18.954 -8.870 426 2HD2 ASN 59 2HD2 ASN 59 -27.738 17.652 -9.035 427 H GLU 60 H GLU 60 -28.625 13.271 -11.291 428 HA GLU 60 HA GLU 60 -27.068 15.062 -12.867 429 1HB GLU 60 HB2 GLU 60 -26.874 12.553 -12.292 430 2HB GLU 60 HB3 GLU 60 -28.024 12.281 -13.615 431 1HG GLU 60 HG2 GLU 60 -26.376 13.272 -15.197 432 2HG GLU 60 HG3 GLU 60 -25.299 13.653 -13.852 433 H GLU 61 H GLU 61 -30.214 15.264 -12.904 434 HA GLU 61 HA GLU 61 -31.218 14.705 -15.439 435 1HB GLU 61 HB2 GLU 61 -33.057 16.134 -14.930 436 2HB GLU 61 HB3 GLU 61 -32.574 15.249 -13.473 437 1HG GLU 61 HG2 GLU 61 -31.461 17.260 -12.627 438 2HG GLU 61 HG3 GLU 61 -31.886 18.150 -14.087 439 H LYS 62 H LYS 62 -29.030 17.290 -14.796 440 HA LYS 62 HA LYS 62 -28.802 17.737 -17.620 441 1HB LYS 62 HB2 LYS 62 -29.164 20.127 -17.735 442 2HB LYS 62 HB3 LYS 62 -30.632 19.285 -17.265 443 1HG LYS 62 HG2 LYS 62 -30.092 19.903 -14.830 444 2HG LYS 62 HG3 LYS 62 -28.821 20.967 -15.470 445 1HD LYS 62 HD2 LYS 62 -30.604 22.036 -16.942 446 2HD LYS 62 HD3 LYS 62 -31.806 21.063 -16.061 447 1HE LYS 62 HE2 LYS 62 -31.719 23.300 -15.133 448 2HE LYS 62 HE3 LYS 62 -31.066 22.173 -13.924 449 1HZ LYS 62 HZ1 LYS 62 -28.864 22.896 -14.466 450 2HZ LYS 62 HZ2 LYS 62 -29.366 23.744 -15.777 451 3HZ LYS 62 HZ3 LYS 62 -29.744 24.237 -14.241 452 H TYR 63 H TYR 63 -26.988 16.576 -16.091 453 HA TYR 63 HA TYR 63 -24.803 18.244 -16.930 454 1HB TYR 63 HB2 TYR 63 -23.531 18.255 -14.755 455 2HB TYR 63 HB3 TYR 63 -24.901 19.285 -14.872 456 HD1 TYR 63 HD1 TYR 63 -26.435 19.375 -13.165 457 HD2 TYR 63 HD2 TYR 63 -23.895 15.949 -13.503 458 HE1 TYR 63 HE1 TYR 63 -27.101 18.690 -10.901 459 HE2 TYR 63 HE2 TYR 63 -24.573 15.199 -11.248 460 HH TYR 63 HH TYR 63 -25.891 15.634 -9.425 461 H SER 64 H SER 64 -22.666 17.407 -16.570 462 HA SER 64 HA SER 64 -22.224 14.524 -16.334 463 1HB SER 64 HB2 SER 64 -21.216 14.430 -18.635 464 2HB SER 64 HB3 SER 64 -22.997 14.508 -18.560 465 HG SER 64 HG SER 64 -21.849 15.899 -20.148 466 H PHE 65 H PHE 65 -20.108 14.033 -15.862 467 HA PHE 65 HA PHE 65 -18.104 16.177 -15.831 468 1HB PHE 65 HB2 PHE 65 -17.983 15.857 -13.453 469 2HB PHE 65 HB3 PHE 65 -19.674 16.123 -13.916 470 HD1 PHE 65 HD1 PHE 65 -17.265 13.887 -12.355 471 HD2 PHE 65 HD2 PHE 65 -21.314 14.168 -13.823 472 HE1 PHE 65 HE1 PHE 65 -17.851 11.787 -11.169 473 HE2 PHE 65 HE2 PHE 65 -21.907 12.101 -12.608 474 HZ PHE 65 HZ PHE 65 -20.175 10.883 -11.311 475 H ASN 66 H ASN 66 -16.077 15.416 -14.656 476 HA ASN 66 HA ASN 66 -15.015 13.045 -16.102 477 1HB ASN 66 HB2 ASN 66 -12.994 14.269 -16.296 478 2HB ASN 66 HB3 ASN 66 -14.294 15.395 -16.630 479 1HD2 ASN 66 1HD2 ASN 66 -11.829 17.029 -14.331 480 2HD2 ASN 66 2HD2 ASN 66 -11.785 16.344 -15.937 481 H TYR 67 H TYR 67 -12.642 12.593 -15.004 482 HA TYR 67 HA TYR 67 -13.063 11.195 -12.490 483 1HB TYR 67 HB2 TYR 67 -10.597 10.762 -12.708 484 2HB TYR 67 HB3 TYR 67 -11.604 10.236 -14.044 485 HD1 TYR 67 HD1 TYR 67 -11.184 10.937 -16.280 486 HD2 TYR 67 HD2 TYR 67 -9.300 12.982 -12.992 487 HE1 TYR 67 HE1 TYR 67 -9.811 12.245 -17.887 488 HE2 TYR 67 HE2 TYR 67 -7.908 14.287 -14.588 489 HH TYR 67 HH TYR 67 -8.199 13.817 -18.150 490 H ASP 68 H ASP 68 -11.771 11.555 -10.549 491 HA ASP 68 HA ASP 68 -11.338 12.763 -8.673 492 1HB ASP 68 HB2 ASP 68 -10.439 15.007 -10.504 493 2HB ASP 68 HB3 ASP 68 -10.139 14.909 -8.802 494 H GLY 69 H GLY 69 -13.931 13.232 -10.460 495 1HA GLY 69 HA2 GLY 69 -15.878 14.393 -10.411 496 2HA GLY 69 HA3 GLY 69 -15.593 14.585 -8.677 497 H SER 70 H SER 70 -13.570 15.917 -11.308 498 HA SER 70 HA SER 70 -13.516 18.457 -9.867 499 1HB SER 70 HB2 SER 70 -11.428 17.432 -10.532 500 2HB SER 70 HB3 SER 70 -12.005 17.247 -12.199 501 HG SER 70 HG SER 70 -10.567 18.982 -11.971 502 H GLU 71 H GLU 71 -13.867 17.753 -13.388 503 HA GLU 71 HA GLU 71 -15.072 20.426 -13.808 504 1HB GLU 71 HB2 GLU 71 -14.461 18.166 -15.758 505 2HB GLU 71 HB3 GLU 71 -15.122 19.749 -16.173 506 1HG GLU 71 HG2 GLU 71 -13.108 20.832 -15.271 507 2HG GLU 71 HG3 GLU 71 -12.380 19.277 -14.948 508 H LEU 72 H LEU 72 -17.179 20.656 -13.282 509 HA LEU 72 HA LEU 72 -19.105 18.539 -14.154 510 1HB LEU 72 HB2 LEU 72 -19.167 19.179 -11.753 511 2HB LEU 72 HB3 LEU 72 -19.434 20.877 -12.262 512 HG LEU 72 HG LEU 72 -21.586 20.133 -13.330 513 1HD1 LEU 72 1HD1 LEU 72 -20.809 17.467 -12.124 514 2HD1 LEU 72 2HD1 LEU 72 -22.481 17.904 -12.504 515 3HD1 LEU 72 3HD1 LEU 72 -21.292 17.838 -13.798 516 1HD2 LEU 72 1HD2 LEU 72 -21.346 19.428 -10.360 517 2HD2 LEU 72 2HD2 LEU 72 -21.555 21.072 -11.010 518 3HD2 LEU 72 3HD2 LEU 72 -22.841 19.865 -11.221 519 H ILE 73 H ILE 73 -20.236 18.932 -15.956 520 HA ILE 73 HA ILE 73 -20.419 21.723 -17.004 521 HB ILE 73 HB ILE 73 -20.914 19.144 -18.496 522 1HG1 ILE 73 2HG1 ILE 73 -18.361 20.691 -18.948 523 2HG1 ILE 73 3HG1 ILE 73 -18.411 19.505 -17.625 524 1HG2 ILE 73 1HG2 ILE 73 -20.307 22.021 -19.391 525 2HG2 ILE 73 2HG2 ILE 73 -20.758 20.698 -20.472 526 3HG2 ILE 73 3HG2 ILE 73 -21.947 21.324 -19.336 527 1HD1 ILE 73 1HD1 ILE 73 -17.543 18.510 -19.678 528 2HD1 ILE 73 2HD1 ILE 73 -18.997 17.710 -19.054 529 3HD1 ILE 73 3HD1 ILE 73 -19.088 18.784 -20.492 530 H ILE 74 H ILE 74 -22.276 22.650 -16.686 531 HA ILE 74 HA ILE 74 -24.746 21.055 -16.169 532 HB ILE 74 HB ILE 74 -23.889 23.825 -15.274 533 1HG1 ILE 74 2HG1 ILE 74 -24.828 21.376 -13.686 534 2HG1 ILE 74 3HG1 ILE 74 -23.117 21.703 -14.033 535 1HG2 ILE 74 1HG2 ILE 74 -26.293 23.977 -15.873 536 2HG2 ILE 74 2HG2 ILE 74 -26.623 22.547 -14.894 537 3HG2 ILE 74 3HG2 ILE 74 -26.083 24.022 -14.130 538 1HD1 ILE 74 1HD1 ILE 74 -24.938 23.376 -12.306 539 2HD1 ILE 74 2HD1 ILE 74 -23.511 22.475 -11.816 540 3HD1 ILE 74 3HD1 ILE 74 -23.339 23.916 -12.838 541 H LYS 75 H LYS 75 -26.536 21.387 -17.406 542 HA LYS 75 HA LYS 75 -26.241 23.233 -19.743 543 1HB LYS 75 HB2 LYS 75 -28.413 21.157 -19.625 544 2HB LYS 75 HB3 LYS 75 -27.547 21.817 -21.018 545 1HG LYS 75 HG2 LYS 75 -26.559 19.750 -19.011 546 2HG LYS 75 HG3 LYS 75 -27.065 19.434 -20.653 547 1HD LYS 75 HD2 LYS 75 -25.120 20.280 -21.632 548 2HD LYS 75 HD3 LYS 75 -24.786 21.357 -20.275 549 1HE LYS 75 HE2 LYS 75 -23.140 19.646 -20.272 550 2HE LYS 75 HE3 LYS 75 -24.143 19.476 -18.858 551 1HZ LYS 75 HZ1 LYS 75 -24.429 17.849 -21.337 552 2HZ LYS 75 HZ2 LYS 75 -23.698 17.341 -19.953 553 3HZ LYS 75 HZ3 LYS 75 -25.302 17.633 -19.980 554 H LYS 76 H LYS 76 -28.061 24.447 -20.416 555 HA LYS 76 HA LYS 76 -29.884 25.807 -20.231 556 1HB LYS 76 HB2 LYS 76 -31.197 23.605 -18.599 557 2HB LYS 76 HB3 LYS 76 -32.001 24.793 -19.598 558 1HG LYS 76 HG2 LYS 76 -30.271 22.469 -20.545 559 2HG LYS 76 HG3 LYS 76 -32.027 22.602 -20.640 560 1HD LYS 76 HD2 LYS 76 -31.800 24.493 -22.231 561 2HD LYS 76 HD3 LYS 76 -30.027 24.381 -22.124 562 1HE LYS 76 HE2 LYS 76 -30.081 22.090 -22.970 563 2HE LYS 76 HE3 LYS 76 -31.837 22.084 -22.999 564 1HZ LYS 76 HZ1 LYS 76 -30.896 22.578 -25.194 565 2HZ LYS 76 HZ2 LYS 76 -31.747 23.861 -24.687 566 3HZ LYS 76 HZ3 LYS 76 -30.116 23.892 -24.634 567 H VAL 77 H VAL 77 -28.078 26.696 -18.635 568 HA VAL 77 HA VAL 77 -28.910 27.299 -15.924 569 HB VAL 77 HB VAL 77 -26.960 28.672 -17.817 570 1HG1 VAL 77 1HG1 VAL 77 -26.026 29.740 -15.795 571 2HG1 VAL 77 2HG1 VAL 77 -27.664 30.339 -16.125 572 3HG1 VAL 77 3HG1 VAL 77 -27.381 29.128 -14.831 573 1HG2 VAL 77 1HG2 VAL 77 -25.250 27.584 -16.430 574 2HG2 VAL 77 2HG2 VAL 77 -26.513 26.769 -15.475 575 3HG2 VAL 77 3HG2 VAL 77 -26.280 26.378 -17.199 576 H ASP 78 H ASP 78 -29.940 29.023 -15.071 577 HA ASP 78 HA ASP 78 -30.883 31.273 -16.585 578 1HB ASP 78 HB2 ASP 78 -32.508 29.233 -17.009 579 2HB ASP 78 HB3 ASP 78 -33.098 29.616 -15.384 580 H LYS 79 H LYS 79 -32.709 32.344 -14.941 581 HA LYS 79 HA LYS 79 -31.104 33.510 -12.919 582 1HB LYS 79 HB2 LYS 79 -34.110 33.477 -13.381 583 2HB LYS 79 HB3 LYS 79 -33.348 34.526 -12.165 584 1HG LYS 79 HG2 LYS 79 -32.159 35.800 -13.813 585 2HG LYS 79 HG3 LYS 79 -32.516 34.620 -15.092 586 1HD LYS 79 HD2 LYS 79 -34.682 36.241 -13.727 587 2HD LYS 79 HD3 LYS 79 -33.839 36.761 -15.198 588 1HE LYS 79 HE2 LYS 79 -34.521 34.687 -16.366 589 2HE LYS 79 HE3 LYS 79 -35.364 34.129 -14.934 590 1HZ LYS 79 HZ1 LYS 79 -36.831 36.070 -15.118 591 2HZ LYS 79 HZ2 LYS 79 -36.041 36.577 -16.468 592 3HZ LYS 79 HZ3 LYS 79 -36.896 35.185 -16.489 593 H SER 80 H SER 80 -33.329 30.781 -12.642 594 HA SER 80 HA SER 80 -33.198 30.647 -9.717 595 1HB SER 80 HB2 SER 80 -34.570 28.588 -10.125 596 2HB SER 80 HB3 SER 80 -35.273 30.092 -10.764 597 HG SER 80 HG SER 80 -35.399 28.389 -12.307 598 H ASP 81 H ASP 81 -31.015 29.747 -12.115 599 HA ASP 81 HA ASP 81 -30.067 27.278 -10.783 600 1HB ASP 81 HB2 ASP 81 -30.394 27.752 -13.351 601 2HB ASP 81 HB3 ASP 81 -28.836 28.553 -13.214 602 H GLU 82 H GLU 82 -29.501 30.565 -10.433 603 HA GLU 82 HA GLU 82 -26.751 30.905 -9.863 604 1HB GLU 82 HB2 GLU 82 -28.349 32.709 -9.970 605 2HB GLU 82 HB3 GLU 82 -29.327 32.050 -8.681 606 1HG GLU 82 HG2 GLU 82 -27.806 32.686 -7.022 607 2HG GLU 82 HG3 GLU 82 -26.454 32.843 -8.141 608 H ALA 83 H ALA 83 -25.421 30.493 -8.073 609 HA ALA 83 HA ALA 83 -26.426 28.962 -5.750 610 1HB ALA 83 HB1 ALA 83 -24.689 27.684 -7.933 611 2HB ALA 83 HB2 ALA 83 -25.177 26.897 -6.430 612 3HB ALA 83 HB3 ALA 83 -26.400 27.296 -7.640 613 H GLU 84 H GLU 84 -24.800 28.272 -4.397 614 HA GLU 84 HA GLU 84 -22.062 29.414 -4.538 615 1HB GLU 84 HB2 GLU 84 -23.301 30.761 -2.952 616 2HB GLU 84 HB3 GLU 84 -23.822 29.300 -2.081 617 1HG GLU 84 HG2 GLU 84 -21.511 28.823 -1.433 618 2HG GLU 84 HG3 GLU 84 -20.920 30.077 -2.517 619 H TYR 85 H TYR 85 -20.932 27.684 -5.033 620 HA TYR 85 HA TYR 85 -21.902 24.952 -4.498 621 1HB TYR 85 HB2 TYR 85 -19.615 25.995 -6.166 622 2HB TYR 85 HB3 TYR 85 -20.103 24.326 -6.057 623 HD1 TYR 85 HD1 TYR 85 -20.468 27.280 -7.990 624 HD2 TYR 85 HD2 TYR 85 -22.611 23.849 -6.575 625 HE1 TYR 85 HE1 TYR 85 -22.003 27.410 -9.961 626 HE2 TYR 85 HE2 TYR 85 -24.094 23.929 -8.601 627 HH TYR 85 HH TYR 85 -23.733 26.394 -11.124 628 H ILE 86 H ILE 86 -21.525 24.987 -2.197 629 HA ILE 86 HA ILE 86 -18.733 24.927 -1.243 630 HB ILE 86 HB ILE 86 -21.263 24.003 0.152 631 1HG1 ILE 86 2HG1 ILE 86 -19.693 26.614 0.367 632 2HG1 ILE 86 3HG1 ILE 86 -21.302 26.432 -0.348 633 1HG2 ILE 86 1HG2 ILE 86 -19.806 24.023 2.172 634 2HG2 ILE 86 2HG2 ILE 86 -19.185 22.910 0.970 635 3HG2 ILE 86 3HG2 ILE 86 -18.412 24.469 1.164 636 1HD1 ILE 86 1HD1 ILE 86 -21.628 27.326 1.829 637 2HD1 ILE 86 2HD1 ILE 86 -22.172 25.652 1.860 638 3HD1 ILE 86 3HD1 ILE 86 -20.599 26.110 2.576 639 H CYS 87 H CYS 87 -17.424 23.293 -1.535 640 HA CYS 87 HA CYS 87 -18.430 20.599 -2.252 641 1HB CYS 87 HB2 CYS 87 -16.142 20.381 -3.394 642 2HB CYS 87 HB3 CYS 87 -17.392 21.323 -4.205 643 H ILE 88 H ILE 88 -17.733 18.867 -1.402 644 HA ILE 88 HA ILE 88 -15.974 19.045 1.006 645 HB ILE 88 HB ILE 88 -18.751 17.791 0.868 646 1HG1 ILE 88 2HG1 ILE 88 -17.834 20.288 2.368 647 2HG1 ILE 88 3HG1 ILE 88 -18.887 20.267 0.974 648 1HG2 ILE 88 1HG2 ILE 88 -16.813 18.049 3.235 649 2HG2 ILE 88 2HG2 ILE 88 -18.453 17.388 3.308 650 3HG2 ILE 88 3HG2 ILE 88 -17.239 16.519 2.379 651 1HD1 ILE 88 1HD1 ILE 88 -20.279 20.600 2.856 652 2HD1 ILE 88 2HD1 ILE 88 -20.568 18.933 2.320 653 3HD1 ILE 88 3HD1 ILE 88 -19.547 19.262 3.738 654 H ALA 89 H ALA 89 -14.782 17.228 1.368 655 HA ALA 89 HA ALA 89 -15.360 14.745 -0.158 656 1HB ALA 89 HB1 ALA 89 -12.658 16.148 -0.055 657 2HB ALA 89 HB2 ALA 89 -12.993 14.546 -0.757 658 3HB ALA 89 HB3 ALA 89 -13.706 15.981 -1.506 659 H GLU 90 H GLU 90 -14.746 12.867 0.863 660 HA GLU 90 HA GLU 90 -13.582 12.987 3.628 661 1HB GLU 90 HB2 GLU 90 -16.057 13.240 3.737 662 2HB GLU 90 HB3 GLU 90 -16.256 11.728 2.857 663 1HG GLU 90 HG2 GLU 90 -15.071 10.510 4.679 664 2HG GLU 90 HG3 GLU 90 -14.895 12.067 5.554 665 H ASN 91 H ASN 91 -12.444 11.132 4.156 666 HA ASN 91 HA ASN 91 -12.875 8.671 2.630 667 1HB ASN 91 HB2 ASN 91 -10.731 8.272 1.806 668 2HB ASN 91 HB3 ASN 91 -11.082 9.905 1.365 669 1HD2 ASN 91 1HD2 ASN 91 -7.591 9.927 2.426 670 2HD2 ASN 91 2HD2 ASN 91 -8.521 9.094 1.190 671 H LYS 92 H LYS 92 -10.912 7.110 3.680 672 HA LYS 92 HA LYS 92 -11.777 6.651 6.423 673 1HB LYS 92 HB2 LYS 92 -9.910 4.943 6.391 674 2HB LYS 92 HB3 LYS 92 -11.245 4.716 5.257 675 1HG LYS 92 HG2 LYS 92 -8.744 6.129 4.294 676 2HG LYS 92 HG3 LYS 92 -8.655 4.399 4.597 677 1HD LYS 92 HD2 LYS 92 -10.765 5.569 2.757 678 2HD LYS 92 HD3 LYS 92 -9.175 5.034 2.240 679 1HE LYS 92 HE2 LYS 92 -9.615 2.767 3.031 680 2HE LYS 92 HE3 LYS 92 -11.167 3.283 3.735 681 1HZ LYS 92 HZ1 LYS 92 -10.526 3.297 0.847 682 2HZ LYS 92 HZ2 LYS 92 -11.511 2.216 1.602 683 3HZ LYS 92 HZ3 LYS 92 -11.952 3.773 1.475 684 H ALA 93 H ALA 93 -9.209 8.554 5.155 685 HA ALA 93 HA ALA 93 -7.684 8.622 7.691 686 1HB ALA 93 HB1 ALA 93 -6.077 9.862 6.374 687 2HB ALA 93 HB2 ALA 93 -6.559 8.382 5.539 688 3HB ALA 93 HB3 ALA 93 -7.199 9.949 5.006 689 H GLY 94 H GLY 94 -10.016 10.725 5.967 690 1HA GLY 94 HA2 GLY 94 -10.487 12.401 8.193 691 2HA GLY 94 HA3 GLY 94 -9.254 13.197 7.171 692 H GLU 95 H GLU 95 -10.743 14.928 6.929 693 HA GLU 95 HA GLU 95 -12.709 14.643 4.749 694 1HB GLU 95 HB2 GLU 95 -13.876 14.244 6.942 695 2HB GLU 95 HB3 GLU 95 -13.374 15.854 7.443 696 1HG GLU 95 HG2 GLU 95 -14.699 16.830 5.561 697 2HG GLU 95 HG3 GLU 95 -15.130 15.185 5.047 698 H GLN 96 H GLN 96 -13.008 16.641 3.599 699 HA GLN 96 HA GLN 96 -11.679 19.120 4.536 700 1HB GLN 96 HB2 GLN 96 -10.202 17.326 3.120 701 2HB GLN 96 HB3 GLN 96 -10.966 18.148 1.771 702 1HG GLN 96 HG2 GLN 96 -8.909 19.229 2.063 703 2HG GLN 96 HG3 GLN 96 -10.090 20.349 2.771 704 1HE2 GLN 96 1HE2 GLN 96 -7.432 18.319 5.231 705 2HE2 GLN 96 2HE2 GLN 96 -7.757 17.718 3.605 706 H ASP 97 H ASP 97 -12.031 20.985 2.921 707 HA ASP 97 HA ASP 97 -14.357 20.751 1.199 708 1HB ASP 97 HB2 ASP 97 -15.756 22.326 2.398 709 2HB ASP 97 HB3 ASP 97 -15.398 20.915 3.391 710 H ALA 98 H ALA 98 -14.879 22.641 -0.016 711 HA ALA 98 HA ALA 98 -13.397 25.169 0.195 712 1HB ALA 98 HB1 ALA 98 -11.839 23.796 -1.171 713 2HB ALA 98 HB2 ALA 98 -13.125 23.426 -2.326 714 3HB ALA 98 HB3 ALA 98 -12.544 25.108 -2.148 715 H THR 99 H THR 99 -14.174 26.611 -1.875 716 HA THR 99 HA THR 99 -17.118 26.242 -2.289 717 HB THR 99 HB THR 99 -15.841 28.718 -1.096 718 HG1 THR 99 HG1 THR 99 -16.834 28.172 0.785 719 1HG2 THR 99 1HG2 THR 99 -18.770 27.985 -1.642 720 2HG2 THR 99 2HG2 THR 99 -18.219 29.375 -0.636 721 3HG2 THR 99 3HG2 THR 99 -17.862 29.333 -2.351 722 H ILE 100 H ILE 100 -17.853 26.953 -4.179 723 HA ILE 100 HA ILE 100 -16.384 29.052 -5.743 724 HB ILE 100 HB ILE 100 -18.361 27.339 -7.155 725 1HG1 ILE 100 2HG1 ILE 100 -15.594 26.114 -6.719 726 2HG1 ILE 100 3HG1 ILE 100 -17.085 25.548 -5.982 727 1HG2 ILE 100 1HG2 ILE 100 -15.690 28.440 -7.972 728 2HG2 ILE 100 2HG2 ILE 100 -16.856 27.682 -9.061 729 3HG2 ILE 100 3HG2 ILE 100 -17.247 29.206 -8.304 730 1HD1 ILE 100 1HD1 ILE 100 -18.087 25.196 -8.240 731 2HD1 ILE 100 2HD1 ILE 100 -16.468 25.520 -8.933 732 3HD1 ILE 100 3HD1 ILE 100 -16.719 24.164 -7.842 733 H HIS 101 H HIS 101 -17.815 30.543 -6.915 734 HA HIS 101 HA HIS 101 -20.679 30.624 -5.998 735 1HB HIS 101 HB2 HIS 101 -18.934 32.963 -6.763 736 2HB HIS 101 HB3 HIS 101 -20.565 33.013 -6.119 737 HD1 HIS 101 HD1 HIS 101 -20.730 32.298 -3.399 738 HD2 HIS 101 HD2 HIS 101 -16.909 32.874 -5.059 739 HE1 HIS 101 HE1 HIS 101 -19.136 32.498 -1.440 740 H LEU 102 H LEU 102 -22.240 31.352 -7.575 741 HA LEU 102 HA LEU 102 -21.354 31.802 -10.360 742 1HB LEU 102 HB2 LEU 102 -21.865 29.494 -10.410 743 2HB LEU 102 HB3 LEU 102 -23.273 29.674 -9.360 744 HG LEU 102 HG LEU 102 -24.529 30.758 -11.198 745 1HD1 LEU 102 1HD1 LEU 102 -22.670 31.889 -12.376 746 2HD1 LEU 102 2HD1 LEU 102 -22.026 30.315 -12.889 747 3HD1 LEU 102 3HD1 LEU 102 -23.590 30.888 -13.493 748 1HD2 LEU 102 1HD2 LEU 102 -24.594 28.349 -11.011 749 2HD2 LEU 102 2HD2 LEU 102 -24.741 28.866 -12.684 750 3HD2 LEU 102 3HD2 LEU 102 -23.175 28.217 -12.091 751 H LYS 103 H LYS 103 -21.932 33.849 -10.581 752 HA LYS 103 HA LYS 103 -24.527 34.870 -9.477 753 1HB LYS 103 HB2 LYS 103 -22.055 36.294 -10.519 754 2HB LYS 103 HB3 LYS 103 -23.539 37.082 -9.988 755 1HG LYS 103 HG2 LYS 103 -23.270 36.079 -7.723 756 2HG LYS 103 HG3 LYS 103 -21.790 35.304 -8.242 757 1HD LYS 103 HD2 LYS 103 -21.214 37.253 -6.975 758 2HD LYS 103 HD3 LYS 103 -20.784 37.587 -8.665 759 1HE LYS 103 HE2 LYS 103 -22.887 38.882 -8.907 760 2HE LYS 103 HE3 LYS 103 -23.330 38.483 -7.241 761 1HZ LYS 103 HZ1 LYS 103 -20.939 40.088 -8.018 762 2HZ LYS 103 HZ2 LYS 103 -22.324 40.689 -7.383 763 3HZ LYS 103 HZ3 LYS 103 -21.373 39.720 -6.488 764 H VAL 104 H VAL 104 -26.220 34.976 -10.751 765 HA VAL 104 HA VAL 104 -25.822 34.821 -13.715 766 HB VAL 104 HB VAL 104 -28.226 34.002 -12.065 767 1HG1 VAL 104 1HG1 VAL 104 -28.935 34.619 -14.323 768 2HG1 VAL 104 2HG1 VAL 104 -27.603 33.661 -15.014 769 3HG1 VAL 104 3HG1 VAL 104 -28.940 32.870 -14.170 770 1HG2 VAL 104 1HG2 VAL 104 -27.488 31.679 -12.696 771 2HG2 VAL 104 2HG2 VAL 104 -26.035 32.352 -13.446 772 3HG2 VAL 104 3HG2 VAL 104 -26.289 32.481 -11.690 773 H PHE 105 H PHE 105 -26.603 36.350 -15.085 774 HA PHE 105 HA PHE 105 -28.570 38.349 -14.175 775 1HB PHE 105 HB2 PHE 105 -27.205 39.889 -15.673 776 2HB PHE 105 HB3 PHE 105 -26.603 39.542 -14.059 777 HD1 PHE 105 HD1 PHE 105 -24.402 38.799 -13.733 778 HD2 PHE 105 HD2 PHE 105 -26.164 38.508 -17.670 779 HE1 PHE 105 HE1 PHE 105 -22.185 38.177 -14.701 780 HE2 PHE 105 HE2 PHE 105 -23.970 37.849 -18.601 781 HZ PHE 105 HZ PHE 105 -21.964 37.722 -17.128 782 H ALA 106 H ALA 106 -29.566 39.539 -16.056 783 HA ALA 106 HA ALA 106 -30.120 37.616 -18.272 784 1HB ALA 106 HB1 ALA 106 -32.532 38.165 -17.955 785 2HB ALA 106 HB2 ALA 106 -31.792 37.528 -16.455 786 3HB ALA 106 HB3 ALA 106 -32.134 39.268 -16.625 787 H LYS 107 H LYS 107 -28.279 39.642 -18.538 788 HA LYS 107 HA LYS 107 -29.208 41.066 -20.903 789 1HB LYS 107 HB2 LYS 107 -28.828 43.331 -20.123 790 2HB LYS 107 HB3 LYS 107 -30.133 42.579 -19.213 791 1HG LYS 107 HG2 LYS 107 -28.624 42.169 -17.303 792 2HG LYS 107 HG3 LYS 107 -27.276 42.912 -18.203 793 1HD LYS 107 HD2 LYS 107 -29.879 44.296 -17.362 794 2HD LYS 107 HD3 LYS 107 -28.332 44.393 -16.504 795 1HE LYS 107 HE2 LYS 107 -27.288 45.352 -18.604 796 2HE LYS 107 HE3 LYS 107 -28.888 45.348 -19.358 797 1HZ LYS 107 HZ1 LYS 107 -28.164 46.885 -16.906 798 2HZ LYS 107 HZ2 LYS 107 -28.384 47.536 -18.376 799 3HZ LYS 107 HZ3 LYS 107 -29.648 46.870 -17.612 Start of MODEL 13 1 1H GLY 1 H1 GLY 1 -5.464 2.737 11.193 2 2H GLY 1 H2 GLY 1 -5.844 4.266 11.684 3 3H GLY 1 H3 GLY 1 -6.355 3.736 10.245 4 1HA GLY 1 HA2 GLY 1 -3.554 4.214 10.972 5 2HA GLY 1 HA3 GLY 1 -4.078 3.573 9.411 6 H LYS 2 H LYS 2 -2.614 5.983 9.884 7 HA LYS 2 HA LYS 2 -4.203 7.948 8.421 8 1HB LYS 2 HB2 LYS 2 -4.525 8.121 11.147 9 2HB LYS 2 HB3 LYS 2 -3.059 9.034 10.994 10 1HG LYS 2 HG2 LYS 2 -4.428 10.298 9.067 11 2HG LYS 2 HG3 LYS 2 -5.810 9.588 9.868 12 1HD LYS 2 HD2 LYS 2 -5.032 10.656 12.023 13 2HD LYS 2 HD3 LYS 2 -3.677 11.361 11.150 14 1HE LYS 2 HE2 LYS 2 -6.631 11.995 10.733 15 2HE LYS 2 HE3 LYS 2 -5.433 13.011 11.551 16 1HZ LYS 2 HZ1 LYS 2 -5.528 13.856 9.356 17 2HZ LYS 2 HZ2 LYS 2 -4.225 12.852 9.278 18 3HZ LYS 2 HZ3 LYS 2 -5.634 12.367 8.672 19 H ASP 3 H ASP 3 -2.703 10.132 8.526 20 HA ASP 3 HA ASP 3 -0.328 9.315 7.024 21 1HB ASP 3 HB2 ASP 3 -0.365 11.594 6.275 22 2HB ASP 3 HB3 ASP 3 -1.983 10.963 6.244 23 H ILE 4 H ILE 4 -0.617 9.711 10.261 24 HA ILE 4 HA ILE 4 1.482 11.600 10.808 25 HB ILE 4 HB ILE 4 0.230 9.574 12.672 26 1HG1 ILE 4 2HG1 ILE 4 -1.578 10.846 11.741 27 2HG1 ILE 4 3HG1 ILE 4 -1.321 11.301 13.394 28 1HG2 ILE 4 1HG2 ILE 4 1.720 12.183 13.246 29 2HG2 ILE 4 2HG2 ILE 4 0.772 11.281 14.430 30 3HG2 ILE 4 3HG2 ILE 4 2.203 10.521 13.734 31 1HD1 ILE 4 1HD1 ILE 4 -1.808 13.269 11.998 32 2HD1 ILE 4 2HD1 ILE 4 -0.170 13.411 12.646 33 3HD1 ILE 4 3HD1 ILE 4 -0.431 12.911 10.962 34 H GLN 5 H GLN 5 1.454 8.082 10.622 35 HA GLN 5 HA GLN 5 4.384 8.000 10.665 36 1HB GLN 5 HB2 GLN 5 4.533 6.414 12.527 37 2HB GLN 5 HB3 GLN 5 3.857 7.952 13.059 38 1HG GLN 5 HG2 GLN 5 1.584 7.052 13.017 39 2HG GLN 5 HG3 GLN 5 2.142 5.488 12.429 40 1HE2 GLN 5 1HE2 GLN 5 1.815 5.713 16.310 41 2HE2 GLN 5 2HE2 GLN 5 0.789 6.488 15.112 42 H VAL 6 H VAL 6 2.351 7.384 8.789 43 HA VAL 6 HA VAL 6 3.268 4.715 7.865 44 HB VAL 6 HB VAL 6 0.293 5.275 7.980 45 1HG1 VAL 6 1HG1 VAL 6 0.936 3.926 6.068 46 2HG1 VAL 6 2HG1 VAL 6 1.886 2.833 7.118 47 3HG1 VAL 6 3HG1 VAL 6 0.106 2.939 7.262 48 1HG2 VAL 6 1HG2 VAL 6 1.972 3.400 9.686 49 2HG2 VAL 6 2HG2 VAL 6 0.940 4.756 10.247 50 3HG2 VAL 6 3HG2 VAL 6 0.204 3.311 9.535 51 H ILE 7 H ILE 7 4.324 5.483 6.130 52 HA ILE 7 HA ILE 7 3.275 7.755 4.631 53 HB ILE 7 HB ILE 7 5.786 6.226 3.980 54 1HG1 ILE 7 2HG1 ILE 7 5.362 8.629 5.829 55 2HG1 ILE 7 3HG1 ILE 7 5.877 7.011 6.342 56 1HG2 ILE 7 1HG2 ILE 7 4.813 9.091 3.392 57 2HG2 ILE 7 2HG2 ILE 7 6.319 8.324 2.805 58 3HG2 ILE 7 3HG2 ILE 7 4.757 7.774 2.243 59 1HD1 ILE 7 1HD1 ILE 7 7.539 8.883 4.615 60 2HD1 ILE 7 2HD1 ILE 7 7.836 8.414 6.285 61 3HD1 ILE 7 3HD1 ILE 7 7.955 7.198 5.026 62 H VAL 8 H VAL 8 1.416 6.823 4.044 63 HA VAL 8 HA VAL 8 1.236 5.623 1.387 64 HB VAL 8 HB VAL 8 -0.084 4.215 3.772 65 1HG1 VAL 8 1HG1 VAL 8 -0.873 2.544 2.057 66 2HG1 VAL 8 2HG1 VAL 8 -1.540 4.132 1.824 67 3HG1 VAL 8 3HG1 VAL 8 -0.199 3.576 0.775 68 1HG2 VAL 8 1HG2 VAL 8 2.106 3.202 1.941 69 2HG2 VAL 8 2HG2 VAL 8 2.210 3.447 3.712 70 3HG2 VAL 8 3HG2 VAL 8 1.181 2.198 3.097 71 H ASN 9 H ASN 9 -0.399 6.592 4.387 72 HA ASN 9 HA ASN 9 -2.903 7.315 3.172 73 1HB ASN 9 HB2 ASN 9 -1.707 7.899 5.894 74 2HB ASN 9 HB3 ASN 9 -3.422 8.075 5.470 75 1HD2 ASN 9 1HD2 ASN 9 -2.135 4.526 6.704 76 2HD2 ASN 9 2HD2 ASN 9 -1.377 6.058 7.062 77 H VAL 10 H VAL 10 -3.712 9.186 2.578 78 HA VAL 10 HA VAL 10 -2.299 11.798 2.851 79 HB VAL 10 HB VAL 10 -3.219 10.613 0.221 80 1HG1 VAL 10 1HG1 VAL 10 -3.519 13.040 0.306 81 2HG1 VAL 10 2HG1 VAL 10 -1.832 13.241 0.895 82 3HG1 VAL 10 3HG1 VAL 10 -2.154 12.635 -0.760 83 1HG2 VAL 10 1HG2 VAL 10 -1.123 9.546 0.797 84 2HG2 VAL 10 2HG2 VAL 10 -0.840 10.717 -0.461 85 3HG2 VAL 10 3HG2 VAL 10 -0.386 11.116 1.212 86 HA PRO 11 HA PRO 11 -6.717 12.430 3.784 87 1HB PRO 11 HB2 PRO 11 -5.575 15.189 4.261 88 2HB PRO 11 HB3 PRO 11 -6.805 14.317 5.225 89 1HG PRO 11 HG2 PRO 11 -4.267 14.458 6.077 90 2HG PRO 11 HG3 PRO 11 -5.074 12.857 6.097 91 1HD PRO 11 HD2 PRO 11 -3.175 13.939 3.987 92 2HD PRO 11 HD3 PRO 11 -3.183 12.329 4.794 93 HA PRO 12 HA PRO 12 -8.231 14.171 0.117 94 1HB PRO 12 HB2 PRO 12 -10.445 15.620 1.510 95 2HB PRO 12 HB3 PRO 12 -10.530 14.338 0.264 96 1HG PRO 12 HG2 PRO 12 -11.093 13.804 2.878 97 2HG PRO 12 HG3 PRO 12 -10.199 12.634 1.863 98 1HD PRO 12 HD2 PRO 12 -9.089 14.686 3.792 99 2HD PRO 12 HD3 PRO 12 -8.719 12.958 3.702 100 H SER 13 H SER 13 -8.302 15.939 -1.194 101 HA SER 13 HA SER 13 -7.549 18.645 -0.149 102 1HB SER 13 HB2 SER 13 -6.166 16.999 -2.299 103 2HB SER 13 HB3 SER 13 -5.859 18.707 -1.974 104 HG SER 13 HG SER 13 -5.502 16.534 -0.196 105 H VAL 14 H VAL 14 -10.132 18.220 -0.748 106 HA VAL 14 HA VAL 14 -10.739 18.758 -3.510 107 HB VAL 14 HB VAL 14 -12.352 17.750 -1.974 108 1HG1 VAL 14 1HG1 VAL 14 -13.032 20.547 -0.966 109 2HG1 VAL 14 2HG1 VAL 14 -13.661 18.985 -0.411 110 3HG1 VAL 14 3HG1 VAL 14 -12.015 19.457 -0.031 111 1HG2 VAL 14 1HG2 VAL 14 -13.399 20.287 -3.320 112 2HG2 VAL 14 2HG2 VAL 14 -13.045 18.761 -4.123 113 3HG2 VAL 14 3HG2 VAL 14 -14.320 18.820 -2.909 114 H ARG 15 H ARG 15 -10.949 20.617 -4.641 115 HA ARG 15 HA ARG 15 -10.666 23.234 -3.247 116 1HB ARG 15 HB2 ARG 15 -8.904 22.152 -5.490 117 2HB ARG 15 HB3 ARG 15 -9.036 23.886 -5.128 118 1HG ARG 15 HG2 ARG 15 -8.269 23.530 -2.822 119 2HG ARG 15 HG3 ARG 15 -8.104 21.787 -3.124 120 1HD ARG 15 HD2 ARG 15 -6.485 22.240 -4.934 121 2HD ARG 15 HD3 ARG 15 -6.585 23.975 -4.596 122 HE ARG 15 HE ARG 15 -5.232 21.874 -3.010 123 1HH1 ARG 15 1HH1 ARG 15 -3.921 22.411 -1.318 124 2HH1 ARG 15 2HH1 ARG 15 -3.921 24.041 -0.698 125 1HH2 ARG 15 1HH2 ARG 15 -6.301 25.211 -2.857 126 2HH2 ARG 15 2HH2 ARG 15 -5.286 25.565 -1.480 127 H ALA 16 H ALA 16 -11.234 25.054 -4.442 128 HA ALA 16 HA ALA 16 -13.430 24.543 -6.390 129 1HB ALA 16 HB1 ALA 16 -14.057 25.887 -4.469 130 2HB ALA 16 HB2 ALA 16 -12.669 26.973 -4.698 131 3HB ALA 16 HB3 ALA 16 -13.984 26.960 -5.877 132 H ARG 17 H ARG 17 -12.566 24.322 -8.319 133 HA ARG 17 HA ARG 17 -10.083 25.215 -9.309 134 1HB ARG 17 HB2 ARG 17 -11.469 23.438 -10.274 135 2HB ARG 17 HB3 ARG 17 -12.604 24.656 -10.908 136 1HG ARG 17 HG2 ARG 17 -10.809 25.587 -12.340 137 2HG ARG 17 HG3 ARG 17 -9.638 24.483 -11.631 138 1HD ARG 17 HD2 ARG 17 -12.124 23.570 -13.155 139 2HD ARG 17 HD3 ARG 17 -10.553 23.841 -13.917 140 HE ARG 17 HE ARG 17 -11.355 21.575 -12.247 141 1HH1 ARG 17 1HH1 ARG 17 -9.982 19.846 -12.033 142 2HH1 ARG 17 2HH1 ARG 17 -8.304 20.024 -12.443 143 1HH2 ARG 17 1HH2 ARG 17 -8.492 23.271 -13.494 144 2HH2 ARG 17 2HH2 ARG 17 -7.517 21.848 -13.244 145 H GLN 18 H GLN 18 -13.139 26.920 -9.361 146 HA GLN 18 HA GLN 18 -11.789 29.516 -9.931 147 1HB GLN 18 HB2 GLN 18 -14.482 28.456 -10.938 148 2HB GLN 18 HB3 GLN 18 -14.072 30.178 -10.970 149 1HG GLN 18 HG2 GLN 18 -12.379 28.083 -12.395 150 2HG GLN 18 HG3 GLN 18 -13.774 28.845 -13.149 151 1HE2 GLN 18 1HE2 GLN 18 -12.177 31.970 -13.677 152 2HE2 GLN 18 2HE2 GLN 18 -13.742 31.171 -13.550 153 H SER 19 H SER 19 -12.470 31.160 -8.472 154 HA SER 19 HA SER 19 -13.849 30.217 -6.045 155 1HB SER 19 HB2 SER 19 -12.827 32.963 -6.768 156 2HB SER 19 HB3 SER 19 -13.314 32.410 -5.156 157 HG SER 19 HG SER 19 -11.014 32.331 -5.484 158 H THR 20 H THR 20 -14.514 32.392 -8.733 159 HA THR 20 HA THR 20 -17.394 32.574 -8.079 160 HB THR 20 HB THR 20 -15.689 35.004 -8.718 161 HG1 THR 20 HG1 THR 20 -16.145 35.605 -6.598 162 1HG2 THR 20 1HG2 THR 20 -17.960 35.282 -9.551 163 2HG2 THR 20 2HG2 THR 20 -18.648 34.723 -8.017 164 3HG2 THR 20 3HG2 THR 20 -17.755 36.252 -8.100 165 H MET 21 H MET 21 -18.598 32.469 -9.823 166 HA MET 21 HA MET 21 -17.426 32.751 -12.567 167 1HB MET 21 HB2 MET 21 -19.341 30.654 -11.449 168 2HB MET 21 HB3 MET 21 -19.124 30.930 -13.164 169 1HG MET 21 HG2 MET 21 -16.862 30.221 -11.298 170 2HG MET 21 HG3 MET 21 -17.742 29.039 -12.237 171 1HE MET 21 HE1 MET 21 -17.686 28.715 -14.791 172 2HE MET 21 HE2 MET 21 -18.146 30.405 -15.173 173 3HE MET 21 HE3 MET 21 -16.708 29.679 -15.924 174 H ASN 22 H ASN 22 -18.829 33.582 -14.136 175 HA ASN 22 HA ASN 22 -21.423 34.746 -13.279 176 1HB ASN 22 HB2 ASN 22 -19.220 36.140 -14.845 177 2HB ASN 22 HB3 ASN 22 -20.863 36.741 -14.635 178 1HD2 ASN 22 1HD2 ASN 22 -18.134 37.362 -11.732 179 2HD2 ASN 22 2HD2 ASN 22 -17.731 36.457 -13.184 180 H ALA 23 H ALA 23 -23.042 34.708 -14.877 181 HA ALA 23 HA ALA 23 -22.399 33.949 -17.642 182 1HB ALA 23 HB1 ALA 23 -24.041 32.132 -15.808 183 2HB ALA 23 HB2 ALA 23 -23.751 31.884 -17.558 184 3HB ALA 23 HB3 ALA 23 -22.396 31.766 -16.428 185 H THR 24 H THR 24 -24.042 34.212 -19.088 186 HA THR 24 HA THR 24 -26.176 36.089 -18.332 187 HB THR 24 HB THR 24 -25.698 34.920 -21.104 188 HG1 THR 24 HG1 THR 24 -24.401 37.147 -19.934 189 1HG2 THR 24 1HG2 THR 24 -26.811 37.577 -20.072 190 2HG2 THR 24 2HG2 THR 24 -26.534 37.150 -21.788 191 3HG2 THR 24 3HG2 THR 24 -27.726 36.263 -20.845 192 H ALA 25 H ALA 25 -28.189 35.524 -17.902 193 HA ALA 25 HA ALA 25 -29.084 32.751 -18.161 194 1HB ALA 25 HB1 ALA 25 -29.455 34.523 -16.233 195 2HB ALA 25 HB2 ALA 25 -30.849 35.001 -17.211 196 3HB ALA 25 HB3 ALA 25 -30.695 33.328 -16.651 197 H ASN 26 H ASN 26 -31.197 32.222 -18.936 198 HA ASN 26 HA ASN 26 -32.793 31.977 -20.456 199 1HB ASN 26 HB2 ASN 26 -33.451 34.050 -19.204 200 2HB ASN 26 HB3 ASN 26 -32.815 35.015 -20.521 201 1HD2 ASN 26 1HD2 ASN 26 -36.249 32.801 -21.198 202 2HD2 ASN 26 2HD2 ASN 26 -35.030 32.124 -20.114 203 H LEU 27 H LEU 27 -29.934 32.523 -21.577 204 HA LEU 27 HA LEU 27 -30.685 32.666 -24.470 205 1HB LEU 27 HB2 LEU 27 -27.963 32.705 -23.130 206 2HB LEU 27 HB3 LEU 27 -28.270 32.846 -24.865 207 HG LEU 27 HG LEU 27 -29.044 34.864 -22.730 208 1HD1 LEU 27 1HD1 LEU 27 -26.670 34.823 -23.390 209 2HD1 LEU 27 2HD1 LEU 27 -27.162 35.065 -25.098 210 3HD1 LEU 27 3HD1 LEU 27 -27.490 36.310 -23.883 211 1HD2 LEU 27 1HD2 LEU 27 -30.812 34.904 -24.443 212 2HD2 LEU 27 2HD2 LEU 27 -29.769 36.302 -24.673 213 3HD2 LEU 27 3HD2 LEU 27 -29.601 34.914 -25.739 214 H SER 28 H SER 28 -30.541 30.311 -22.139 215 HA SER 28 HA SER 28 -30.379 28.075 -22.123 216 1HB SER 28 HB2 SER 28 -30.562 28.192 -25.169 217 2HB SER 28 HB3 SER 28 -30.804 26.780 -24.137 218 HG SER 28 HG SER 28 -32.795 27.861 -24.721 219 H GLN 29 H GLN 29 -27.978 29.677 -22.130 220 HA GLN 29 HA GLN 29 -25.944 28.461 -23.765 221 1HB GLN 29 HB2 GLN 29 -26.119 30.630 -21.749 222 2HB GLN 29 HB3 GLN 29 -24.575 29.800 -21.713 223 1HG GLN 29 HG2 GLN 29 -25.882 30.894 -24.213 224 2HG GLN 29 HG3 GLN 29 -24.647 31.759 -23.263 225 1HE2 GLN 29 1HE2 GLN 29 -22.779 30.260 -26.057 226 2HE2 GLN 29 2HE2 GLN 29 -23.994 31.515 -25.847 227 H SER 30 H SER 30 -23.811 27.804 -22.588 228 HA SER 30 HA SER 30 -24.356 25.865 -20.384 229 1HB SER 30 HB2 SER 30 -22.880 24.197 -21.389 230 2HB SER 30 HB3 SER 30 -24.318 24.475 -22.388 231 HG SER 30 HG SER 30 -22.460 24.457 -23.686 232 H VAL 31 H VAL 31 -22.719 25.388 -19.064 233 HA VAL 31 HA VAL 31 -20.301 27.171 -18.993 234 HB VAL 31 HB VAL 31 -22.472 27.112 -16.836 235 1HG1 VAL 31 1HG1 VAL 31 -21.129 28.829 -15.653 236 2HG1 VAL 31 2HG1 VAL 31 -20.303 27.278 -15.731 237 3HG1 VAL 31 3HG1 VAL 31 -19.799 28.598 -16.817 238 1HG2 VAL 31 1HG2 VAL 31 -21.503 29.377 -18.626 239 2HG2 VAL 31 2HG2 VAL 31 -23.088 28.567 -18.703 240 3HG2 VAL 31 3HG2 VAL 31 -22.665 29.523 -17.296 241 H THR 32 H THR 32 -18.525 26.107 -18.147 242 HA THR 32 HA THR 32 -18.986 23.669 -16.441 243 HB THR 32 HB THR 32 -16.382 24.442 -17.809 244 HG1 THR 32 HG1 THR 32 -17.978 23.989 -19.325 245 1HG2 THR 32 1HG2 THR 32 -17.389 21.818 -16.567 246 2HG2 THR 32 2HG2 THR 32 -15.873 22.010 -17.434 247 3HG2 THR 32 3HG2 THR 32 -16.087 22.819 -15.913 248 H LEU 33 H LEU 33 -18.068 23.462 -14.463 249 HA LEU 33 HA LEU 33 -16.017 25.189 -13.425 250 1HB LEU 33 HB2 LEU 33 -17.320 25.965 -11.441 251 2HB LEU 33 HB3 LEU 33 -17.766 26.670 -12.975 252 HG LEU 33 HG LEU 33 -19.787 25.339 -13.115 253 1HD1 LEU 33 1HD1 LEU 33 -20.615 24.089 -11.124 254 2HD1 LEU 33 2HD1 LEU 33 -19.282 23.304 -11.928 255 3HD1 LEU 33 3HD1 LEU 33 -18.982 24.168 -10.428 256 1HD2 LEU 33 1HD2 LEU 33 -19.487 26.734 -10.428 257 2HD2 LEU 33 2HD2 LEU 33 -19.804 27.514 -12.008 258 3HD2 LEU 33 3HD2 LEU 33 -20.980 26.415 -11.296 259 H ALA 34 H ALA 34 -15.605 24.388 -10.927 260 HA ALA 34 HA ALA 34 -16.195 21.532 -10.671 261 1HB ALA 34 HB1 ALA 34 -13.386 22.434 -11.326 262 2HB ALA 34 HB2 ALA 34 -13.960 20.773 -11.048 263 3HB ALA 34 HB3 ALA 34 -14.483 21.679 -12.485 264 H CYS 35 H CYS 35 -15.899 20.684 -8.863 265 HA CYS 35 HA CYS 35 -14.397 22.026 -6.638 266 1HB CYS 35 HB2 CYS 35 -17.080 20.726 -6.790 267 2HB CYS 35 HB3 CYS 35 -16.117 20.339 -5.372 268 H ASP 36 H ASP 36 -12.551 20.923 -7.818 269 HA ASP 36 HA ASP 36 -12.697 18.045 -8.227 270 1HB ASP 36 HB2 ASP 36 -10.658 18.264 -9.401 271 2HB ASP 36 HB3 ASP 36 -11.685 19.600 -9.852 272 H ALA 37 H ALA 37 -11.914 16.454 -7.034 273 HA ALA 37 HA ALA 37 -10.379 17.125 -4.567 274 1HB ALA 37 HB1 ALA 37 -12.716 16.358 -4.123 275 2HB ALA 37 HB2 ALA 37 -12.354 14.858 -5.008 276 3HB ALA 37 HB3 ALA 37 -11.523 15.238 -3.494 277 H ASP 38 H ASP 38 -8.988 15.630 -3.718 278 HA ASP 38 HA ASP 38 -8.063 13.273 -5.183 279 1HB ASP 38 HB2 ASP 38 -6.835 15.155 -6.305 280 2HB ASP 38 HB3 ASP 38 -6.258 15.701 -4.732 281 H GLY 39 H GLY 39 -6.639 11.977 -3.844 282 1HA GLY 39 HA2 GLY 39 -5.568 12.457 -1.328 283 2HA GLY 39 HA3 GLY 39 -7.251 12.022 -1.006 284 H PHE 40 H PHE 40 -5.488 10.283 0.059 285 HA PHE 40 HA PHE 40 -5.930 7.874 -1.553 286 1HB PHE 40 HB2 PHE 40 -3.745 8.806 -2.320 287 2HB PHE 40 HB3 PHE 40 -3.107 8.394 -0.721 288 HD1 PHE 40 HD1 PHE 40 -2.913 6.024 0.002 289 HD2 PHE 40 HD2 PHE 40 -4.323 7.060 -3.928 290 HE1 PHE 40 HE1 PHE 40 -2.642 3.646 -0.725 291 HE2 PHE 40 HE2 PHE 40 -4.075 4.709 -4.658 292 HZ PHE 40 HZ PHE 40 -3.244 2.986 -3.055 293 HA PRO 41 HA PRO 41 -5.983 5.489 -1.245 294 1HB PRO 41 HB2 PRO 41 -8.066 4.425 0.653 295 2HB PRO 41 HB3 PRO 41 -7.021 3.551 -0.524 296 1HG PRO 41 HG2 PRO 41 -6.443 3.554 2.150 297 2HG PRO 41 HG3 PRO 41 -5.138 3.732 0.934 298 1HD PRO 41 HD2 PRO 41 -6.523 5.888 2.543 299 2HD PRO 41 HD3 PRO 41 -4.774 5.646 2.254 300 H GLU 42 H GLU 42 -7.876 5.324 -2.549 301 HA GLU 42 HA GLU 42 -8.813 7.563 -3.501 302 1HB GLU 42 HB2 GLU 42 -10.677 6.412 -4.579 303 2HB GLU 42 HB3 GLU 42 -9.135 5.581 -4.662 304 1HG GLU 42 HG2 GLU 42 -9.882 4.014 -2.867 305 2HG GLU 42 HG3 GLU 42 -11.416 4.860 -2.764 306 HA PRO 43 HA PRO 43 -11.612 9.346 -0.550 307 1HB PRO 43 HB2 PRO 43 -11.897 11.851 -1.524 308 2HB PRO 43 HB3 PRO 43 -10.279 11.237 -1.002 309 1HG PRO 43 HG2 PRO 43 -11.438 11.251 -3.794 310 2HG PRO 43 HG3 PRO 43 -9.878 11.914 -3.284 311 1HD PRO 43 HD2 PRO 43 -10.056 9.395 -4.325 312 2HD PRO 43 HD3 PRO 43 -8.930 9.773 -2.972 313 H THR 44 H THR 44 -13.614 10.299 -0.315 314 HA THR 44 HA THR 44 -15.726 9.743 -2.377 315 HB THR 44 HB THR 44 -15.998 9.752 0.641 316 HG1 THR 44 HG1 THR 44 -16.064 7.533 -1.149 317 1HG2 THR 44 1HG2 THR 44 -18.190 8.584 0.109 318 2HG2 THR 44 2HG2 THR 44 -18.147 10.288 -0.328 319 3HG2 THR 44 3HG2 THR 44 -17.950 9.031 -1.584 320 H MET 45 H MET 45 -17.366 11.429 -2.545 321 HA MET 45 HA MET 45 -16.983 13.956 -1.086 322 1HB MET 45 HB2 MET 45 -16.434 15.237 -3.102 323 2HB MET 45 HB3 MET 45 -15.199 14.047 -2.810 324 1HG MET 45 HG2 MET 45 -16.399 12.500 -4.483 325 2HG MET 45 HG3 MET 45 -17.367 13.895 -4.926 326 1HE MET 45 HE1 MET 45 -14.820 16.222 -6.693 327 2HE MET 45 HE2 MET 45 -16.464 16.006 -6.045 328 3HE MET 45 HE3 MET 45 -15.122 16.310 -4.935 329 H THR 46 H THR 46 -18.580 15.502 -1.459 330 HA THR 46 HA THR 46 -20.720 15.187 -3.420 331 HB THR 46 HB THR 46 -22.575 15.378 -1.771 332 HG1 THR 46 HG1 THR 46 -22.180 14.813 0.372 333 1HG2 THR 46 1HG2 THR 46 -21.110 12.768 -1.305 334 2HG2 THR 46 2HG2 THR 46 -22.855 13.104 -1.199 335 3HG2 THR 46 3HG2 THR 46 -22.041 13.187 -2.769 336 H TRP 47 H TRP 47 -22.349 17.041 -3.200 337 HA TRP 47 HA TRP 47 -21.409 19.417 -1.833 338 1HB TRP 47 HB2 TRP 47 -20.907 20.735 -3.845 339 2HB TRP 47 HB3 TRP 47 -19.783 19.455 -3.431 340 HD1 TRP 47 HD1 TRP 47 -20.442 17.049 -5.105 341 HE1 TRP 47 HE1 TRP 47 -19.741 17.178 -7.570 342 HE3 TRP 47 HE3 TRP 47 -20.773 22.114 -5.812 343 HZ2 TRP 47 HZ2 TRP 47 -19.138 19.236 -9.515 344 HZ3 TRP 47 HZ3 TRP 47 -20.165 23.127 -8.019 345 HH2 TRP 47 HH2 TRP 47 -19.329 21.681 -9.838 346 H THR 48 H THR 48 -22.631 21.386 -2.289 347 HA THR 48 HA THR 48 -25.496 20.710 -2.852 348 HB THR 48 HB THR 48 -26.179 21.908 -0.915 349 HG1 THR 48 HG1 THR 48 -24.665 22.867 0.489 350 1HG2 THR 48 1HG2 THR 48 -23.795 20.268 0.055 351 2HG2 THR 48 2HG2 THR 48 -25.299 20.638 0.917 352 3HG2 THR 48 3HG2 THR 48 -25.346 19.547 -0.476 353 H LYS 49 H LYS 49 -26.901 22.348 -3.280 354 HA LYS 49 HA LYS 49 -25.790 24.669 -4.809 355 1HB LYS 49 HB2 LYS 49 -27.317 22.818 -5.828 356 2HB LYS 49 HB3 LYS 49 -28.615 23.522 -4.890 357 1HG LYS 49 HG2 LYS 49 -28.053 25.754 -6.046 358 2HG LYS 49 HG3 LYS 49 -26.883 24.862 -7.036 359 1HD LYS 49 HD2 LYS 49 -28.680 23.383 -7.871 360 2HD LYS 49 HD3 LYS 49 -29.858 24.265 -6.914 361 1HE LYS 49 HE2 LYS 49 -28.199 25.484 -9.149 362 2HE LYS 49 HE3 LYS 49 -29.856 24.881 -9.325 363 1HZ LYS 49 HZ1 LYS 49 -29.050 27.244 -7.747 364 2HZ LYS 49 HZ2 LYS 49 -30.086 27.148 -8.996 365 3HZ LYS 49 HZ3 LYS 49 -30.505 26.502 -7.559 366 H ASP 50 H ASP 50 -25.347 25.674 -2.716 367 HA ASP 50 HA ASP 50 -25.664 27.179 -1.092 368 1HB ASP 50 HB2 ASP 50 -27.014 28.446 -2.709 369 2HB ASP 50 HB3 ASP 50 -28.471 27.642 -2.144 370 H GLY 51 H GLY 51 -27.751 24.426 -1.252 371 1HA GLY 51 HA2 GLY 51 -27.455 23.835 1.511 372 2HA GLY 51 HA3 GLY 51 -29.060 24.529 1.276 373 H GLU 52 H GLU 52 -29.376 23.258 -1.446 374 HA GLU 52 HA GLU 52 -30.196 20.572 -0.486 375 1HB GLU 52 HB2 GLU 52 -31.521 20.428 -2.519 376 2HB GLU 52 HB3 GLU 52 -31.876 21.878 -1.582 377 1HG GLU 52 HG2 GLU 52 -30.436 23.180 -3.190 378 2HG GLU 52 HG3 GLU 52 -30.227 21.724 -4.145 379 HA PRO 53 HA PRO 53 -26.704 18.707 -2.288 380 1HB PRO 53 HB2 PRO 53 -27.387 16.053 -2.528 381 2HB PRO 53 HB3 PRO 53 -27.274 16.901 -0.956 382 1HG PRO 53 HG2 PRO 53 -29.770 16.399 -2.639 383 2HG PRO 53 HG3 PRO 53 -29.544 16.043 -0.903 384 1HD PRO 53 HD2 PRO 53 -30.752 18.338 -1.775 385 2HD PRO 53 HD3 PRO 53 -29.666 18.336 -0.342 386 H ILE 54 H ILE 54 -25.630 18.346 -4.095 387 HA ILE 54 HA ILE 54 -26.984 17.928 -6.696 388 HB ILE 54 HB ILE 54 -24.165 18.942 -6.167 389 1HG1 ILE 54 2HG1 ILE 54 -26.480 20.758 -6.988 390 2HG1 ILE 54 3HG1 ILE 54 -26.054 20.501 -5.306 391 1HG2 ILE 54 1HG2 ILE 54 -24.214 19.775 -8.493 392 2HG2 ILE 54 2HG2 ILE 54 -24.546 18.068 -8.523 393 3HG2 ILE 54 3HG2 ILE 54 -25.883 19.221 -8.695 394 1HD1 ILE 54 1HD1 ILE 54 -23.868 21.359 -5.575 395 2HD1 ILE 54 2HD1 ILE 54 -24.077 21.571 -7.315 396 3HD1 ILE 54 3HD1 ILE 54 -25.034 22.538 -6.206 397 H GLU 55 H GLU 55 -26.646 15.917 -4.735 398 HA GLU 55 HA GLU 55 -24.772 14.019 -4.798 399 1HB GLU 55 HB2 GLU 55 -26.630 12.310 -4.885 400 2HB GLU 55 HB3 GLU 55 -26.645 13.525 -3.581 401 1HG GLU 55 HG2 GLU 55 -28.426 14.775 -4.872 402 2HG GLU 55 HG3 GLU 55 -28.456 13.446 -6.028 403 H GLN 56 H GLN 56 -23.469 13.224 -6.241 404 HA GLN 56 HA GLN 56 -23.938 13.228 -8.996 405 1HB GLN 56 HB2 GLN 56 -21.820 11.608 -7.529 406 2HB GLN 56 HB3 GLN 56 -21.791 12.148 -9.193 407 1HG GLN 56 HG2 GLN 56 -20.423 13.734 -8.284 408 2HG GLN 56 HG3 GLN 56 -21.956 14.580 -8.091 409 1HE2 GLN 56 1HE2 GLN 56 -19.839 13.173 -4.851 410 2HE2 GLN 56 2HE2 GLN 56 -19.323 12.824 -6.490 411 H GLU 57 H GLU 57 -25.291 11.031 -6.896 412 HA GLU 57 HA GLU 57 -25.312 8.749 -8.794 413 1HB GLU 57 HB2 GLU 57 -26.275 8.960 -5.913 414 2HB GLU 57 HB3 GLU 57 -26.289 7.464 -6.857 415 1HG GLU 57 HG2 GLU 57 -23.791 7.644 -7.102 416 2HG GLU 57 HG3 GLU 57 -23.832 9.048 -6.010 417 H ASP 58 H ASP 58 -27.250 11.414 -8.291 418 HA ASP 58 HA ASP 58 -29.528 10.186 -9.669 419 1HB ASP 58 HB2 ASP 58 -29.897 9.634 -7.227 420 2HB ASP 58 HB3 ASP 58 -29.856 11.352 -6.874 421 H ASN 59 H ASN 59 -28.010 13.104 -8.324 422 HA ASN 59 HA ASN 59 -30.065 14.735 -9.682 423 1HB ASN 59 HB2 ASN 59 -29.397 15.259 -7.331 424 2HB ASN 59 HB3 ASN 59 -27.811 15.768 -7.932 425 1HD2 ASN 59 1HD2 ASN 59 -29.911 18.819 -7.772 426 2HD2 ASN 59 2HD2 ASN 59 -29.175 17.735 -6.603 427 H GLU 60 H GLU 60 -29.856 14.849 -11.751 428 HA GLU 60 HA GLU 60 -27.350 15.898 -13.026 429 1HB GLU 60 HB2 GLU 60 -29.149 13.644 -14.001 430 2HB GLU 60 HB3 GLU 60 -27.769 14.301 -14.859 431 1HG GLU 60 HG2 GLU 60 -26.258 13.506 -13.063 432 2HG GLU 60 HG3 GLU 60 -27.647 12.824 -12.194 433 H GLU 61 H GLU 61 -30.306 16.814 -12.395 434 HA GLU 61 HA GLU 61 -32.085 17.107 -14.276 435 1HB GLU 61 HB2 GLU 61 -31.132 19.305 -12.441 436 2HB GLU 61 HB3 GLU 61 -32.537 19.513 -13.510 437 1HG GLU 61 HG2 GLU 61 -33.575 17.441 -12.501 438 2HG GLU 61 HG3 GLU 61 -32.250 17.378 -11.363 439 H LYS 62 H LYS 62 -29.278 19.223 -14.520 440 HA LYS 62 HA LYS 62 -29.420 19.118 -17.383 441 1HB LYS 62 HB2 LYS 62 -29.546 21.461 -17.946 442 2HB LYS 62 HB3 LYS 62 -31.029 20.907 -17.208 443 1HG LYS 62 HG2 LYS 62 -30.249 21.910 -14.990 444 2HG LYS 62 HG3 LYS 62 -28.907 22.656 -15.889 445 1HD LYS 62 HD2 LYS 62 -30.686 23.676 -17.443 446 2HD LYS 62 HD3 LYS 62 -31.909 23.106 -16.303 447 1HE LYS 62 HE2 LYS 62 -30.920 24.407 -14.456 448 2HE LYS 62 HE3 LYS 62 -29.511 24.795 -15.500 449 1HZ LYS 62 HZ1 LYS 62 -32.285 25.835 -15.823 450 2HZ LYS 62 HZ2 LYS 62 -30.891 26.677 -15.522 451 3HZ LYS 62 HZ3 LYS 62 -31.097 25.968 -16.973 452 H TYR 63 H TYR 63 -27.602 18.060 -15.799 453 HA TYR 63 HA TYR 63 -25.189 19.414 -16.685 454 1HB TYR 63 HB2 TYR 63 -24.341 19.198 -14.108 455 2HB TYR 63 HB3 TYR 63 -24.936 20.657 -14.845 456 HD1 TYR 63 HD1 TYR 63 -26.923 21.730 -14.110 457 HD2 TYR 63 HD2 TYR 63 -25.820 17.862 -12.566 458 HE1 TYR 63 HE1 TYR 63 -28.607 21.992 -12.298 459 HE2 TYR 63 HE2 TYR 63 -27.490 18.132 -10.712 460 HH TYR 63 HH TYR 63 -29.479 21.101 -10.375 461 H SER 64 H SER 64 -23.283 18.326 -16.509 462 HA SER 64 HA SER 64 -23.313 15.409 -15.872 463 1HB SER 64 HB2 SER 64 -22.436 16.629 -18.526 464 2HB SER 64 HB3 SER 64 -22.213 14.962 -18.004 465 HG SER 64 HG SER 64 -24.058 15.118 -19.296 466 H PHE 65 H PHE 65 -21.431 14.749 -14.982 467 HA PHE 65 HA PHE 65 -18.975 16.411 -14.956 468 1HB PHE 65 HB2 PHE 65 -19.245 16.039 -12.475 469 2HB PHE 65 HB3 PHE 65 -20.489 16.979 -13.318 470 HD1 PHE 65 HD1 PHE 65 -22.697 16.653 -12.705 471 HD2 PHE 65 HD2 PHE 65 -19.953 13.337 -12.366 472 HE1 PHE 65 HE1 PHE 65 -24.528 15.196 -11.873 473 HE2 PHE 65 HE2 PHE 65 -21.798 11.895 -11.605 474 HZ PHE 65 HZ PHE 65 -24.096 12.797 -11.383 475 H ASN 66 H ASN 66 -17.398 15.129 -13.266 476 HA ASN 66 HA ASN 66 -17.219 12.316 -14.122 477 1HB ASN 66 HB2 ASN 66 -15.333 12.433 -15.429 478 2HB ASN 66 HB3 ASN 66 -16.259 13.851 -15.939 479 1HD2 ASN 66 1HD2 ASN 66 -13.725 16.019 -14.264 480 2HD2 ASN 66 2HD2 ASN 66 -15.463 15.861 -14.077 481 H TYR 67 H TYR 67 -15.341 11.133 -13.319 482 HA TYR 67 HA TYR 67 -14.895 11.686 -10.440 483 1HB TYR 67 HB2 TYR 67 -14.252 9.252 -10.461 484 2HB TYR 67 HB3 TYR 67 -15.881 9.564 -11.020 485 HD1 TYR 67 HD1 TYR 67 -16.645 9.099 -13.248 486 HD2 TYR 67 HD2 TYR 67 -12.480 8.601 -12.197 487 HE1 TYR 67 HE1 TYR 67 -16.253 7.880 -15.363 488 HE2 TYR 67 HE2 TYR 67 -12.102 7.380 -14.313 489 HH TYR 67 HH TYR 67 -14.759 6.871 -16.710 490 H ASP 68 H ASP 68 -12.736 10.766 -9.601 491 HA ASP 68 HA ASP 68 -10.631 11.391 -9.096 492 1HB ASP 68 HB2 ASP 68 -10.176 10.695 -11.997 493 2HB ASP 68 HB3 ASP 68 -8.871 11.004 -10.867 494 H GLY 69 H GLY 69 -12.410 13.481 -9.611 495 1HA GLY 69 HA2 GLY 69 -10.935 15.859 -9.778 496 2HA GLY 69 HA3 GLY 69 -11.493 15.488 -11.404 497 H SER 70 H SER 70 -13.269 16.686 -11.810 498 HA SER 70 HA SER 70 -15.725 16.272 -10.366 499 1HB SER 70 HB2 SER 70 -14.973 17.814 -8.758 500 2HB SER 70 HB3 SER 70 -14.305 18.929 -9.974 501 HG SER 70 HG SER 70 -17.049 18.359 -9.447 502 H GLU 71 H GLU 71 -14.158 18.733 -12.454 503 HA GLU 71 HA GLU 71 -15.388 20.251 -13.788 504 1HB GLU 71 HB2 GLU 71 -14.642 17.902 -15.526 505 2HB GLU 71 HB3 GLU 71 -14.928 19.539 -16.078 506 1HG GLU 71 HG2 GLU 71 -13.068 20.331 -14.580 507 2HG GLU 71 HG3 GLU 71 -12.686 18.645 -14.201 508 H LEU 72 H LEU 72 -17.482 20.360 -12.910 509 HA LEU 72 HA LEU 72 -19.596 18.743 -14.174 510 1HB LEU 72 HB2 LEU 72 -19.603 19.006 -11.779 511 2HB LEU 72 HB3 LEU 72 -19.718 20.755 -11.907 512 HG LEU 72 HG LEU 72 -21.807 18.918 -13.133 513 1HD1 LEU 72 1HD1 LEU 72 -21.570 18.263 -10.777 514 2HD1 LEU 72 2HD1 LEU 72 -21.850 19.970 -10.287 515 3HD1 LEU 72 3HD1 LEU 72 -23.133 19.028 -11.086 516 1HD2 LEU 72 1HD2 LEU 72 -21.935 21.816 -12.164 517 2HD2 LEU 72 2HD2 LEU 72 -22.132 21.183 -13.824 518 3HD2 LEU 72 3HD2 LEU 72 -23.349 20.828 -12.600 519 H ILE 73 H ILE 73 -20.488 19.309 -15.887 520 HA ILE 73 HA ILE 73 -20.332 22.055 -16.953 521 HB ILE 73 HB ILE 73 -21.106 19.447 -18.365 522 1HG1 ILE 73 2HG1 ILE 73 -18.351 20.596 -18.845 523 2HG1 ILE 73 3HG1 ILE 73 -18.592 19.661 -17.373 524 1HG2 ILE 73 1HG2 ILE 73 -21.850 21.578 -19.411 525 2HG2 ILE 73 2HG2 ILE 73 -20.196 22.198 -19.372 526 3HG2 ILE 73 3HG2 ILE 73 -20.594 20.779 -20.394 527 1HD1 ILE 73 1HD1 ILE 73 -17.824 18.269 -19.210 528 2HD1 ILE 73 2HD1 ILE 73 -19.392 17.752 -18.548 529 3HD1 ILE 73 3HD1 ILE 73 -19.295 18.622 -20.115 530 H ILE 74 H ILE 74 -22.111 23.243 -16.932 531 HA ILE 74 HA ILE 74 -24.799 22.066 -16.408 532 HB ILE 74 HB ILE 74 -23.757 24.920 -16.190 533 1HG1 ILE 74 2HG1 ILE 74 -24.780 23.165 -13.913 534 2HG1 ILE 74 3HG1 ILE 74 -23.072 23.264 -14.330 535 1HG2 ILE 74 1HG2 ILE 74 -26.534 23.829 -15.543 536 2HG2 ILE 74 2HG2 ILE 74 -25.987 25.472 -15.234 537 3HG2 ILE 74 3HG2 ILE 74 -26.130 24.916 -16.894 538 1HD1 ILE 74 1HD1 ILE 74 -23.426 24.741 -12.526 539 2HD1 ILE 74 2HD1 ILE 74 -23.105 25.724 -13.976 540 3HD1 ILE 74 3HD1 ILE 74 -24.759 25.569 -13.333 541 H LYS 75 H LYS 75 -26.230 22.152 -18.008 542 HA LYS 75 HA LYS 75 -25.693 23.898 -20.365 543 1HB LYS 75 HB2 LYS 75 -26.685 22.308 -21.851 544 2HB LYS 75 HB3 LYS 75 -25.385 21.504 -20.986 545 1HG LYS 75 HG2 LYS 75 -27.231 20.687 -19.364 546 2HG LYS 75 HG3 LYS 75 -28.381 21.182 -20.587 547 1HD LYS 75 HD2 LYS 75 -26.142 19.156 -20.939 548 2HD LYS 75 HD3 LYS 75 -27.863 18.790 -20.743 549 1HE LYS 75 HE2 LYS 75 -28.355 19.994 -22.843 550 2HE LYS 75 HE3 LYS 75 -26.633 20.360 -23.055 551 1HZ LYS 75 HZ1 LYS 75 -27.271 18.402 -24.336 552 2HZ LYS 75 HZ2 LYS 75 -26.201 17.987 -23.191 553 3HZ LYS 75 HZ3 LYS 75 -27.790 17.626 -23.011 554 H LYS 76 H LYS 76 -27.396 24.831 -21.301 555 HA LYS 76 HA LYS 76 -29.437 25.845 -21.580 556 1HB LYS 76 HB2 LYS 76 -30.207 23.491 -21.615 557 2HB LYS 76 HB3 LYS 76 -30.643 23.614 -19.898 558 1HG LYS 76 HG2 LYS 76 -32.272 25.402 -20.399 559 2HG LYS 76 HG3 LYS 76 -31.795 25.387 -22.108 560 1HD LYS 76 HD2 LYS 76 -32.529 23.019 -22.290 561 2HD LYS 76 HD3 LYS 76 -33.058 23.084 -20.585 562 1HE LYS 76 HE2 LYS 76 -34.633 24.875 -21.090 563 2HE LYS 76 HE3 LYS 76 -34.073 24.930 -22.787 564 1HZ LYS 76 HZ1 LYS 76 -34.875 22.623 -23.030 565 2HZ LYS 76 HZ2 LYS 76 -35.434 22.601 -21.506 566 3HZ LYS 76 HZ3 LYS 76 -36.101 23.595 -22.605 567 H VAL 77 H VAL 77 -27.906 27.153 -20.030 568 HA VAL 77 HA VAL 77 -28.869 27.795 -17.413 569 HB VAL 77 HB VAL 77 -27.061 29.333 -19.307 570 1HG1 VAL 77 1HG1 VAL 77 -27.567 29.771 -16.323 571 2HG1 VAL 77 2HG1 VAL 77 -26.300 30.562 -17.262 572 3HG1 VAL 77 3HG1 VAL 77 -27.998 30.913 -17.624 573 1HG2 VAL 77 1HG2 VAL 77 -26.466 27.618 -16.831 574 2HG2 VAL 77 2HG2 VAL 77 -26.191 27.099 -18.507 575 3HG2 VAL 77 3HG2 VAL 77 -25.278 28.460 -17.835 576 H ASP 78 H ASP 78 -30.555 28.969 -16.810 577 HA ASP 78 HA ASP 78 -32.017 30.650 -18.814 578 1HB ASP 78 HB2 ASP 78 -32.941 28.388 -18.737 579 2HB ASP 78 HB3 ASP 78 -33.236 28.572 -17.012 580 H LYS 79 H LYS 79 -31.525 30.014 -15.397 581 HA LYS 79 HA LYS 79 -31.342 32.421 -14.249 582 1HB LYS 79 HB2 LYS 79 -34.210 32.203 -15.009 583 2HB LYS 79 HB3 LYS 79 -33.959 32.497 -13.318 584 1HG LYS 79 HG2 LYS 79 -32.534 34.434 -13.773 585 2HG LYS 79 HG3 LYS 79 -32.635 34.141 -15.496 586 1HD LYS 79 HD2 LYS 79 -34.134 35.933 -14.995 587 2HD LYS 79 HD3 LYS 79 -35.134 34.522 -15.366 588 1HE LYS 79 HE2 LYS 79 -35.423 34.076 -12.920 589 2HE LYS 79 HE3 LYS 79 -34.436 35.507 -12.564 590 1HZ LYS 79 HZ1 LYS 79 -37.032 35.544 -14.003 591 2HZ LYS 79 HZ2 LYS 79 -36.794 36.016 -12.460 592 3HZ LYS 79 HZ3 LYS 79 -36.125 36.882 -13.679 593 H SER 80 H SER 80 -32.849 29.254 -13.975 594 HA SER 80 HA SER 80 -32.896 29.152 -11.086 595 1HB SER 80 HB2 SER 80 -33.172 26.684 -11.555 596 2HB SER 80 HB3 SER 80 -34.380 27.759 -12.282 597 HG SER 80 HG SER 80 -33.665 26.220 -13.778 598 H ASP 81 H ASP 81 -30.354 29.094 -13.269 599 HA ASP 81 HA ASP 81 -28.615 27.153 -12.129 600 1HB ASP 81 HB2 ASP 81 -28.071 29.544 -13.939 601 2HB ASP 81 HB3 ASP 81 -27.036 28.121 -13.758 602 H GLU 82 H GLU 82 -29.262 30.291 -10.884 603 HA GLU 82 HA GLU 82 -26.629 30.995 -9.911 604 1HB GLU 82 HB2 GLU 82 -28.604 32.567 -10.116 605 2HB GLU 82 HB3 GLU 82 -29.334 31.732 -8.744 606 1HG GLU 82 HG2 GLU 82 -27.394 32.381 -7.322 607 2HG GLU 82 HG3 GLU 82 -26.601 33.071 -8.731 608 H ALA 83 H ALA 83 -25.517 30.334 -8.095 609 HA ALA 83 HA ALA 83 -26.755 28.793 -5.963 610 1HB ALA 83 HB1 ALA 83 -26.647 27.067 -7.789 611 2HB ALA 83 HB2 ALA 83 -24.960 27.479 -8.060 612 3HB ALA 83 HB3 ALA 83 -25.460 26.668 -6.551 613 H GLU 84 H GLU 84 -25.359 28.213 -4.314 614 HA GLU 84 HA GLU 84 -22.537 29.238 -4.407 615 1HB GLU 84 HB2 GLU 84 -23.972 30.487 -2.793 616 2HB GLU 84 HB3 GLU 84 -24.274 28.971 -1.906 617 1HG GLU 84 HG2 GLU 84 -21.927 28.764 -1.329 618 2HG GLU 84 HG3 GLU 84 -21.437 29.961 -2.519 619 H TYR 85 H TYR 85 -21.463 27.540 -5.031 620 HA TYR 85 HA TYR 85 -22.411 24.827 -4.538 621 1HB TYR 85 HB2 TYR 85 -20.205 26.057 -6.166 622 2HB TYR 85 HB3 TYR 85 -20.423 24.329 -6.068 623 HD1 TYR 85 HD1 TYR 85 -22.964 23.563 -6.419 624 HD2 TYR 85 HD2 TYR 85 -21.189 27.078 -8.126 625 HE1 TYR 85 HE1 TYR 85 -24.647 23.513 -8.303 626 HE2 TYR 85 HE2 TYR 85 -22.827 27.014 -9.979 627 HH TYR 85 HH TYR 85 -24.733 25.992 -10.840 628 H ILE 86 H ILE 86 -22.061 24.848 -2.214 629 HA ILE 86 HA ILE 86 -19.276 24.821 -1.201 630 HB ILE 86 HB ILE 86 -21.843 24.054 0.240 631 1HG1 ILE 86 2HG1 ILE 86 -20.387 26.732 0.039 632 2HG1 ILE 86 3HG1 ILE 86 -22.036 26.364 -0.493 633 1HG2 ILE 86 1HG2 ILE 86 -19.697 23.152 1.214 634 2HG2 ILE 86 2HG2 ILE 86 -19.093 24.821 1.302 635 3HG2 ILE 86 3HG2 ILE 86 -20.489 24.314 2.263 636 1HD1 ILE 86 1HD1 ILE 86 -22.667 25.926 1.899 637 2HD1 ILE 86 2HD1 ILE 86 -21.064 26.572 2.364 638 3HD1 ILE 86 3HD1 ILE 86 -22.220 27.603 1.526 639 H CYS 87 H CYS 87 -18.013 23.065 -1.138 640 HA CYS 87 HA CYS 87 -19.216 20.407 -1.636 641 1HB CYS 87 HB2 CYS 87 -17.444 19.995 -3.296 642 2HB CYS 87 HB3 CYS 87 -18.554 21.301 -3.745 643 H ILE 88 H ILE 88 -18.229 18.606 -0.928 644 HA ILE 88 HA ILE 88 -16.106 18.975 1.129 645 HB ILE 88 HB ILE 88 -18.780 17.557 1.435 646 1HG1 ILE 88 2HG1 ILE 88 -17.711 20.014 2.893 647 2HG1 ILE 88 3HG1 ILE 88 -18.925 20.049 1.631 648 1HG2 ILE 88 1HG2 ILE 88 -18.095 17.047 3.781 649 2HG2 ILE 88 2HG2 ILE 88 -17.032 16.263 2.633 650 3HG2 ILE 88 3HG2 ILE 88 -16.508 17.763 3.439 651 1HD1 ILE 88 1HD1 ILE 88 -19.313 18.792 4.371 652 2HD1 ILE 88 2HD1 ILE 88 -20.099 20.244 3.706 653 3HD1 ILE 88 3HD1 ILE 88 -20.449 18.663 3.006 654 H ALA 89 H ALA 89 -14.750 17.314 1.403 655 HA ALA 89 HA ALA 89 -15.237 14.743 0.013 656 1HB ALA 89 HB1 ALA 89 -12.590 16.251 -0.019 657 2HB ALA 89 HB2 ALA 89 -12.870 14.636 -0.670 658 3HB ALA 89 HB3 ALA 89 -13.710 16.051 -1.383 659 H GLU 90 H GLU 90 -14.273 12.971 0.949 660 HA GLU 90 HA GLU 90 -13.118 13.143 3.657 661 1HB GLU 90 HB2 GLU 90 -15.657 13.233 3.795 662 2HB GLU 90 HB3 GLU 90 -15.714 11.656 2.999 663 1HG GLU 90 HG2 GLU 90 -14.287 10.771 4.925 664 2HG GLU 90 HG3 GLU 90 -14.470 12.338 5.727 665 H ASN 91 H ASN 91 -11.846 11.308 4.130 666 HA ASN 91 HA ASN 91 -12.260 8.844 2.630 667 1HB ASN 91 HB2 ASN 91 -10.314 8.624 1.437 668 2HB ASN 91 HB3 ASN 91 -10.697 10.328 1.159 669 1HD2 ASN 91 1HD2 ASN 91 -7.039 9.970 1.864 670 2HD2 ASN 91 2HD2 ASN 91 -8.143 9.083 0.795 671 H LYS 92 H LYS 92 -9.999 7.476 3.209 672 HA LYS 92 HA LYS 92 -10.522 6.653 5.909 673 1HB LYS 92 HB2 LYS 92 -8.159 5.404 4.907 674 2HB LYS 92 HB3 LYS 92 -9.758 4.736 5.148 675 1HG LYS 92 HG2 LYS 92 -8.809 6.090 2.606 676 2HG LYS 92 HG3 LYS 92 -8.843 4.347 2.894 677 1HD LYS 92 HD2 LYS 92 -11.413 4.563 3.193 678 2HD LYS 92 HD3 LYS 92 -11.252 6.193 2.510 679 1HE LYS 92 HE2 LYS 92 -10.103 5.186 0.510 680 2HE LYS 92 HE3 LYS 92 -10.406 3.587 1.193 681 1HZ LYS 92 HZ1 LYS 92 -12.815 4.142 1.113 682 2HZ LYS 92 HZ2 LYS 92 -12.472 5.556 0.377 683 3HZ LYS 92 HZ3 LYS 92 -12.128 4.155 -0.372 684 H ALA 93 H ALA 93 -8.392 8.983 4.704 685 HA ALA 93 HA ALA 93 -6.675 8.951 7.148 686 1HB ALA 93 HB1 ALA 93 -5.612 8.642 4.897 687 2HB ALA 93 HB2 ALA 93 -6.233 10.229 4.404 688 3HB ALA 93 HB3 ALA 93 -5.057 10.123 5.723 689 H GLY 94 H GLY 94 -9.236 10.904 5.652 690 1HA GLY 94 HA2 GLY 94 -9.390 12.730 7.810 691 2HA GLY 94 HA3 GLY 94 -8.369 13.464 6.594 692 H GLU 95 H GLU 95 -9.895 15.151 6.435 693 HA GLU 95 HA GLU 95 -12.199 14.797 4.627 694 1HB GLU 95 HB2 GLU 95 -12.966 14.306 7.012 695 2HB GLU 95 HB3 GLU 95 -12.481 15.938 7.432 696 1HG GLU 95 HG2 GLU 95 -14.155 16.821 5.792 697 2HG GLU 95 HG3 GLU 95 -14.652 15.156 5.464 698 H GLN 96 H GLN 96 -12.864 16.793 3.644 699 HA GLN 96 HA GLN 96 -11.448 19.298 4.290 700 1HB GLN 96 HB2 GLN 96 -10.058 17.558 2.795 701 2HB GLN 96 HB3 GLN 96 -11.098 18.137 1.523 702 1HG GLN 96 HG2 GLN 96 -9.091 19.464 1.448 703 2HG GLN 96 HG3 GLN 96 -10.301 20.522 2.154 704 1HE2 GLN 96 1HE2 GLN 96 -7.299 19.066 4.594 705 2HE2 GLN 96 2HE2 GLN 96 -7.687 18.236 3.091 706 H ASP 97 H ASP 97 -12.101 21.073 2.683 707 HA ASP 97 HA ASP 97 -14.514 20.664 1.117 708 1HB ASP 97 HB2 ASP 97 -15.965 22.127 2.358 709 2HB ASP 97 HB3 ASP 97 -15.433 20.822 3.421 710 H ALA 98 H ALA 98 -15.236 22.442 -0.110 711 HA ALA 98 HA ALA 98 -13.718 24.980 -0.189 712 1HB ALA 98 HB1 ALA 98 -13.122 24.796 -2.543 713 2HB ALA 98 HB2 ALA 98 -12.395 23.473 -1.627 714 3HB ALA 98 HB3 ALA 98 -13.838 23.167 -2.629 715 H THR 99 H THR 99 -14.758 26.431 -2.096 716 HA THR 99 HA THR 99 -17.663 26.036 -2.426 717 HB THR 99 HB THR 99 -16.411 28.355 -0.943 718 HG1 THR 99 HG1 THR 99 -17.139 26.163 -0.031 719 1HG2 THR 99 1HG2 THR 99 -18.201 29.315 -2.301 720 2HG2 THR 99 2HG2 THR 99 -19.293 27.976 -1.896 721 3HG2 THR 99 3HG2 THR 99 -18.803 29.128 -0.652 722 H ILE 100 H ILE 100 -18.397 26.866 -4.307 723 HA ILE 100 HA ILE 100 -16.834 28.998 -5.749 724 HB ILE 100 HB ILE 100 -18.765 27.165 -7.150 725 1HG1 ILE 100 2HG1 ILE 100 -15.768 26.612 -7.208 726 2HG1 ILE 100 3HG1 ILE 100 -16.858 25.755 -6.116 727 1HG2 ILE 100 1HG2 ILE 100 -16.551 28.975 -8.136 728 2HG2 ILE 100 2HG2 ILE 100 -17.474 27.887 -9.169 729 3HG2 ILE 100 3HG2 ILE 100 -18.309 29.187 -8.312 730 1HD1 ILE 100 1HD1 ILE 100 -16.690 24.349 -8.014 731 2HD1 ILE 100 2HD1 ILE 100 -18.252 25.138 -8.193 732 3HD1 ILE 100 3HD1 ILE 100 -16.879 25.681 -9.149 733 H HIS 101 H HIS 101 -18.005 30.875 -6.279 734 HA HIS 101 HA HIS 101 -20.956 30.902 -5.677 735 1HB HIS 101 HB2 HIS 101 -19.150 33.266 -6.150 736 2HB HIS 101 HB3 HIS 101 -20.777 33.266 -5.523 737 HD1 HIS 101 HD1 HIS 101 -20.989 32.414 -2.848 738 HD2 HIS 101 HD2 HIS 101 -17.158 32.984 -4.480 739 HE1 HIS 101 HE1 HIS 101 -19.384 32.410 -0.895 740 H LEU 102 H LEU 102 -22.163 30.400 -7.494 741 HA LEU 102 HA LEU 102 -21.225 31.428 -10.142 742 1HB LEU 102 HB2 LEU 102 -21.624 29.072 -10.214 743 2HB LEU 102 HB3 LEU 102 -23.232 29.245 -9.479 744 HG LEU 102 HG LEU 102 -24.034 30.470 -11.482 745 1HD1 LEU 102 1HD1 LEU 102 -21.914 31.523 -12.265 746 2HD1 LEU 102 2HD1 LEU 102 -21.274 29.911 -12.682 747 3HD1 LEU 102 3HD1 LEU 102 -22.679 30.597 -13.526 748 1HD2 LEU 102 1HD2 LEU 102 -24.241 28.018 -11.434 749 2HD2 LEU 102 2HD2 LEU 102 -24.046 28.637 -13.075 750 3HD2 LEU 102 3HD2 LEU 102 -22.676 27.852 -12.254 751 H LYS 103 H LYS 103 -21.841 33.440 -10.313 752 HA LYS 103 HA LYS 103 -24.588 34.359 -9.564 753 1HB LYS 103 HB2 LYS 103 -22.178 35.856 -10.724 754 2HB LYS 103 HB3 LYS 103 -23.708 36.586 -10.214 755 1HG LYS 103 HG2 LYS 103 -23.264 35.728 -7.882 756 2HG LYS 103 HG3 LYS 103 -21.687 35.124 -8.425 757 1HD LYS 103 HD2 LYS 103 -21.006 37.390 -9.080 758 2HD LYS 103 HD3 LYS 103 -22.584 38.016 -8.592 759 1HE LYS 103 HE2 LYS 103 -22.173 37.304 -6.272 760 2HE LYS 103 HE3 LYS 103 -20.581 36.696 -6.708 761 1HZ LYS 103 HZ1 LYS 103 -21.403 39.541 -6.948 762 2HZ LYS 103 HZ2 LYS 103 -20.409 38.950 -5.806 763 3HZ LYS 103 HZ3 LYS 103 -19.936 38.931 -7.365 764 H VAL 104 H VAL 104 -26.136 34.981 -11.059 765 HA VAL 104 HA VAL 104 -25.667 34.414 -13.951 766 HB VAL 104 HB VAL 104 -27.784 33.145 -12.199 767 1HG1 VAL 104 1HG1 VAL 104 -28.837 33.611 -14.296 768 2HG1 VAL 104 2HG1 VAL 104 -27.437 33.024 -15.210 769 3HG1 VAL 104 3HG1 VAL 104 -28.444 31.897 -14.246 770 1HG2 VAL 104 1HG2 VAL 104 -26.717 31.029 -12.950 771 2HG2 VAL 104 2HG2 VAL 104 -25.465 31.968 -13.759 772 3HG2 VAL 104 3HG2 VAL 104 -25.650 32.001 -11.981 773 H PHE 105 H PHE 105 -26.232 36.232 -15.041 774 HA PHE 105 HA PHE 105 -28.231 38.069 -13.791 775 1HB PHE 105 HB2 PHE 105 -27.175 39.688 -15.278 776 2HB PHE 105 HB3 PHE 105 -26.122 39.086 -14.035 777 HD1 PHE 105 HD1 PHE 105 -26.708 39.464 -17.625 778 HD2 PHE 105 HD2 PHE 105 -24.205 37.613 -14.661 779 HE1 PHE 105 HE1 PHE 105 -24.908 39.195 -19.313 780 HE2 PHE 105 HE2 PHE 105 -22.413 37.343 -16.352 781 HZ PHE 105 HZ PHE 105 -22.731 38.137 -18.671 782 H ALA 106 H ALA 106 -29.946 38.880 -14.820 783 HA ALA 106 HA ALA 106 -31.068 37.173 -16.902 784 1HB ALA 106 HB1 ALA 106 -32.245 37.696 -14.779 785 2HB ALA 106 HB2 ALA 106 -32.283 39.418 -15.237 786 3HB ALA 106 HB3 ALA 106 -33.150 38.212 -16.212 787 H LYS 107 H LYS 107 -29.074 38.559 -18.054 788 HA LYS 107 HA LYS 107 -28.547 39.544 -20.035 789 1HB LYS 107 HB2 LYS 107 -31.529 39.887 -20.561 790 2HB LYS 107 HB3 LYS 107 -30.218 39.977 -21.729 791 1HG LYS 107 HG2 LYS 107 -29.639 37.604 -21.358 792 2HG LYS 107 HG3 LYS 107 -30.886 37.473 -20.114 793 1HD LYS 107 HD2 LYS 107 -31.361 37.999 -23.081 794 2HD LYS 107 HD3 LYS 107 -31.563 36.469 -22.252 795 1HE LYS 107 HE2 LYS 107 -33.285 37.579 -20.705 796 2HE LYS 107 HE3 LYS 107 -33.168 39.033 -21.722 797 1HZ LYS 107 HZ1 LYS 107 -35.002 37.750 -22.424 798 2HZ LYS 107 HZ2 LYS 107 -33.881 37.593 -23.630 799 3HZ LYS 107 HZ3 LYS 107 -34.152 36.369 -22.544 Start of MODEL 14 1 1H GLY 1 H1 GLY 1 4.513 11.757 0.442 2 2H GLY 1 H2 GLY 1 5.710 10.777 -0.047 3 3H GLY 1 H3 GLY 1 4.597 11.277 -1.127 4 1HA GLY 1 HA2 GLY 1 4.081 9.468 1.150 5 2HA GLY 1 HA3 GLY 1 2.853 10.031 -0.004 6 H LYS 2 H LYS 2 3.130 7.388 0.291 7 HA LYS 2 HA LYS 2 3.875 6.471 -2.361 8 1HB LYS 2 HB2 LYS 2 6.044 6.512 -1.058 9 2HB LYS 2 HB3 LYS 2 5.408 5.296 0.017 10 1HG LYS 2 HG2 LYS 2 6.971 4.406 -1.701 11 2HG LYS 2 HG3 LYS 2 5.398 3.646 -1.799 12 1HD LYS 2 HD2 LYS 2 6.306 4.099 -4.021 13 2HD LYS 2 HD3 LYS 2 4.766 4.868 -3.741 14 1HE LYS 2 HE2 LYS 2 6.215 6.409 -4.923 15 2HE LYS 2 HE3 LYS 2 5.946 7.051 -3.303 16 1HZ LYS 2 HZ1 LYS 2 8.384 5.615 -4.210 17 2HZ LYS 2 HZ2 LYS 2 8.279 7.200 -3.924 18 3HZ LYS 2 HZ3 LYS 2 8.153 6.139 -2.683 19 H ASP 3 H ASP 3 1.407 6.577 -1.364 20 HA ASP 3 HA ASP 3 0.560 4.042 -0.209 21 1HB ASP 3 HB2 ASP 3 -0.564 6.312 0.102 22 2HB ASP 3 HB3 ASP 3 -1.237 6.105 -1.530 23 H ILE 4 H ILE 4 1.947 4.253 -2.962 24 HA ILE 4 HA ILE 4 -0.026 3.122 -4.855 25 HB ILE 4 HB ILE 4 2.945 3.681 -5.221 26 1HG1 ILE 4 2HG1 ILE 4 2.011 5.779 -4.551 27 2HG1 ILE 4 3HG1 ILE 4 2.310 5.816 -6.283 28 1HG2 ILE 4 1HG2 ILE 4 2.048 2.248 -6.972 29 2HG2 ILE 4 2HG2 ILE 4 0.678 3.341 -7.237 30 3HG2 ILE 4 3HG2 ILE 4 2.333 3.882 -7.624 31 1HD1 ILE 4 1HD1 ILE 4 0.200 6.931 -5.695 32 2HD1 ILE 4 2HD1 ILE 4 -0.097 5.510 -6.730 33 3HD1 ILE 4 3HD1 ILE 4 -0.431 5.437 -4.986 34 H GLN 5 H GLN 5 2.688 1.943 -2.920 35 HA GLN 5 HA GLN 5 1.839 -0.785 -3.500 36 1HB GLN 5 HB2 GLN 5 3.668 0.075 -5.189 37 2HB GLN 5 HB3 GLN 5 4.814 -0.152 -3.853 38 1HG GLN 5 HG2 GLN 5 4.165 -2.580 -3.753 39 2HG GLN 5 HG3 GLN 5 2.965 -2.311 -5.009 40 1HE2 GLN 5 1HE2 GLN 5 5.352 -2.932 -7.544 41 2HE2 GLN 5 2HE2 GLN 5 3.662 -2.993 -7.024 42 H VAL 6 H VAL 6 1.799 0.971 -1.308 43 HA VAL 6 HA VAL 6 2.646 -0.745 0.904 44 HB VAL 6 HB VAL 6 3.548 2.167 0.970 45 1HG1 VAL 6 1HG1 VAL 6 4.216 -0.211 2.754 46 2HG1 VAL 6 2HG1 VAL 6 4.878 1.411 2.912 47 3HG1 VAL 6 3HG1 VAL 6 3.187 1.157 3.219 48 1HG2 VAL 6 1HG2 VAL 6 5.895 1.429 0.820 49 2HG2 VAL 6 2HG2 VAL 6 5.365 -0.217 0.444 50 3HG2 VAL 6 3HG2 VAL 6 4.992 1.115 -0.657 51 H ILE 7 H ILE 7 1.375 -0.156 2.833 52 HA ILE 7 HA ILE 7 -1.023 1.490 2.222 53 HB ILE 7 HB ILE 7 -0.424 -0.267 4.618 54 1HG1 ILE 7 2HG1 ILE 7 -2.176 -0.775 2.157 55 2HG1 ILE 7 3HG1 ILE 7 -0.636 -1.577 2.493 56 1HG2 ILE 7 1HG2 ILE 7 -1.998 1.576 5.113 57 2HG2 ILE 7 2HG2 ILE 7 -3.018 1.067 3.728 58 3HG2 ILE 7 3HG2 ILE 7 -2.834 0.042 5.162 59 1HD1 ILE 7 1HD1 ILE 7 -1.678 -2.519 4.612 60 2HD1 ILE 7 2HD1 ILE 7 -3.238 -1.914 4.041 61 3HD1 ILE 7 3HD1 ILE 7 -2.370 -3.137 3.086 62 H VAL 8 H VAL 8 -0.852 3.601 2.561 63 HA VAL 8 HA VAL 8 0.450 4.679 5.056 64 HB VAL 8 HB VAL 8 0.931 5.758 2.241 65 1HG1 VAL 8 1HG1 VAL 8 2.274 6.456 4.900 66 2HG1 VAL 8 2HG1 VAL 8 2.648 7.143 3.309 67 3HG1 VAL 8 3HG1 VAL 8 1.079 7.442 4.071 68 1HG2 VAL 8 1HG2 VAL 8 2.819 4.141 4.023 69 2HG2 VAL 8 2HG2 VAL 8 2.213 3.630 2.435 70 3HG2 VAL 8 3HG2 VAL 8 3.314 5.013 2.539 71 H ASN 9 H ASN 9 -1.611 5.185 2.262 72 HA ASN 9 HA ASN 9 -3.173 6.597 1.616 73 1HB ASN 9 HB2 ASN 9 -3.922 6.734 4.553 74 2HB ASN 9 HB3 ASN 9 -4.996 7.049 3.177 75 1HD2 ASN 9 1HD2 ASN 9 -4.645 3.361 2.324 76 2HD2 ASN 9 2HD2 ASN 9 -4.148 4.785 1.471 77 H VAL 10 H VAL 10 -4.264 8.609 1.729 78 HA VAL 10 HA VAL 10 -2.658 10.956 2.601 79 HB VAL 10 HB VAL 10 -3.547 10.453 -0.247 80 1HG1 VAL 10 1HG1 VAL 10 -2.243 12.920 0.966 81 2HG1 VAL 10 2HG1 VAL 10 -2.416 12.600 -0.769 82 3HG1 VAL 10 3HG1 VAL 10 -3.839 12.817 0.225 83 1HG2 VAL 10 1HG2 VAL 10 -1.483 9.255 0.210 84 2HG2 VAL 10 2HG2 VAL 10 -1.107 10.661 -0.761 85 3HG2 VAL 10 3HG2 VAL 10 -0.782 10.701 0.986 86 HA PRO 11 HA PRO 11 -6.903 12.101 3.640 87 1HB PRO 11 HB2 PRO 11 -5.671 14.868 3.696 88 2HB PRO 11 HB3 PRO 11 -6.813 14.133 4.857 89 1HG PRO 11 HG2 PRO 11 -4.137 14.246 5.449 90 2HG PRO 11 HG3 PRO 11 -5.071 12.757 5.769 91 1HD PRO 11 HD2 PRO 11 -3.284 13.378 3.389 92 2HD PRO 11 HD3 PRO 11 -3.368 11.906 4.409 93 HA PRO 12 HA PRO 12 -8.575 13.806 -0.155 94 1HB PRO 12 HB2 PRO 12 -10.574 15.364 1.400 95 2HB PRO 12 HB3 PRO 12 -10.848 14.153 0.129 96 1HG PRO 12 HG2 PRO 12 -11.278 13.591 2.762 97 2HG PRO 12 HG3 PRO 12 -10.574 12.342 1.665 98 1HD PRO 12 HD2 PRO 12 -9.187 14.269 3.582 99 2HD PRO 12 HD3 PRO 12 -8.959 12.497 3.417 100 H SER 13 H SER 13 -8.528 15.650 -1.448 101 HA SER 13 HA SER 13 -7.585 18.239 -0.284 102 1HB SER 13 HB2 SER 13 -6.515 16.757 -2.719 103 2HB SER 13 HB3 SER 13 -6.012 18.372 -2.216 104 HG SER 13 HG SER 13 -4.603 16.703 -1.462 105 H VAL 14 H VAL 14 -10.273 18.050 -0.732 106 HA VAL 14 HA VAL 14 -10.796 18.982 -3.457 107 HB VAL 14 HB VAL 14 -12.555 17.852 -2.169 108 1HG1 VAL 14 1HG1 VAL 14 -12.968 20.515 -0.725 109 2HG1 VAL 14 2HG1 VAL 14 -14.004 19.090 -0.621 110 3HG1 VAL 14 3HG1 VAL 14 -12.365 19.017 0.021 111 1HG2 VAL 14 1HG2 VAL 14 -14.378 19.166 -3.077 112 2HG2 VAL 14 2HG2 VAL 14 -13.372 20.622 -3.106 113 3HG2 VAL 14 3HG2 VAL 14 -12.994 19.280 -4.195 114 H ARG 15 H ARG 15 -10.749 20.839 -4.277 115 HA ARG 15 HA ARG 15 -10.327 23.337 -2.670 116 1HB ARG 15 HB2 ARG 15 -8.837 22.260 -5.096 117 2HB ARG 15 HB3 ARG 15 -8.781 23.959 -4.650 118 1HG ARG 15 HG2 ARG 15 -7.512 23.588 -2.780 119 2HG ARG 15 HG3 ARG 15 -8.100 21.960 -2.508 120 1HD ARG 15 HD2 ARG 15 -6.212 22.731 -4.780 121 2HD ARG 15 HD3 ARG 15 -5.707 22.017 -3.240 122 HE ARG 15 HE ARG 15 -7.631 20.259 -4.158 123 1HH1 ARG 15 1HH1 ARG 15 -6.133 18.426 -6.577 124 2HH1 ARG 15 2HH1 ARG 15 -7.586 18.734 -5.643 125 1HH2 ARG 15 1HH2 ARG 15 -4.591 21.324 -5.548 126 2HH2 ARG 15 2HH2 ARG 15 -4.507 19.918 -6.588 127 H ALA 16 H ALA 16 -10.654 25.271 -4.054 128 HA ALA 16 HA ALA 16 -12.991 24.975 -5.889 129 1HB ALA 16 HB1 ALA 16 -13.269 26.616 -4.121 130 2HB ALA 16 HB2 ALA 16 -11.721 27.397 -4.567 131 3HB ALA 16 HB3 ALA 16 -13.103 27.462 -5.676 132 H ARG 17 H ARG 17 -12.640 24.888 -8.055 133 HA ARG 17 HA ARG 17 -10.000 25.347 -9.182 134 1HB ARG 17 HB2 ARG 17 -11.685 23.645 -9.978 135 2HB ARG 17 HB3 ARG 17 -12.584 24.950 -10.729 136 1HG ARG 17 HG2 ARG 17 -10.591 25.551 -12.078 137 2HG ARG 17 HG3 ARG 17 -9.680 24.223 -11.335 138 1HD ARG 17 HD2 ARG 17 -12.190 23.931 -13.050 139 2HD ARG 17 HD3 ARG 17 -10.564 23.785 -13.650 140 HE ARG 17 HE ARG 17 -12.046 21.793 -12.146 141 1HH1 ARG 17 1HH1 ARG 17 -8.755 22.763 -12.889 142 2HH1 ARG 17 2HH1 ARG 17 -8.172 21.129 -12.822 143 1HH2 ARG 17 1HH2 ARG 17 -11.218 19.738 -12.062 144 2HH2 ARG 17 2HH2 ARG 17 -9.512 19.463 -12.335 145 H GLN 18 H GLN 18 -12.871 27.311 -8.862 146 HA GLN 18 HA GLN 18 -11.397 29.738 -9.248 147 1HB GLN 18 HB2 GLN 18 -11.915 29.101 -11.642 148 2HB GLN 18 HB3 GLN 18 -13.639 29.254 -11.248 149 1HG GLN 18 HG2 GLN 18 -13.302 31.604 -10.589 150 2HG GLN 18 HG3 GLN 18 -11.566 31.464 -10.899 151 1HE2 GLN 18 1HE2 GLN 18 -13.984 32.479 -13.938 152 2HE2 GLN 18 2HE2 GLN 18 -14.521 32.426 -12.247 153 H SER 19 H SER 19 -12.238 31.034 -7.637 154 HA SER 19 HA SER 19 -14.389 30.064 -6.057 155 1HB SER 19 HB2 SER 19 -13.115 32.817 -5.869 156 2HB SER 19 HB3 SER 19 -13.990 31.912 -4.606 157 HG SER 19 HG SER 19 -11.708 31.741 -4.422 158 H THR 20 H THR 20 -14.592 32.315 -8.694 159 HA THR 20 HA THR 20 -17.502 32.627 -8.158 160 HB THR 20 HB THR 20 -15.745 34.919 -9.112 161 HG1 THR 20 HG1 THR 20 -15.468 34.543 -6.894 162 1HG2 THR 20 1HG2 THR 20 -18.037 35.019 -10.020 163 2HG2 THR 20 2HG2 THR 20 -18.695 34.779 -8.385 164 3HG2 THR 20 3HG2 THR 20 -17.769 36.239 -8.781 165 H MET 21 H MET 21 -18.652 32.025 -9.776 166 HA MET 21 HA MET 21 -17.617 32.098 -12.577 167 1HB MET 21 HB2 MET 21 -19.574 30.175 -11.230 168 2HB MET 21 HB3 MET 21 -19.311 30.229 -12.975 169 1HG MET 21 HG2 MET 21 -17.238 29.520 -10.885 170 2HG MET 21 HG3 MET 21 -18.056 28.420 -11.991 171 1HE MET 21 HE1 MET 21 -17.854 30.201 -14.866 172 2HE MET 21 HE2 MET 21 -16.418 29.388 -15.468 173 3HE MET 21 HE3 MET 21 -17.692 28.437 -14.658 174 H ASN 22 H ASN 22 -19.369 32.379 -14.203 175 HA ASN 22 HA ASN 22 -21.876 33.595 -13.391 176 1HB ASN 22 HB2 ASN 22 -21.476 35.801 -14.405 177 2HB ASN 22 HB3 ASN 22 -20.352 35.522 -13.094 178 1HD2 ASN 22 1HD2 ASN 22 -17.519 35.847 -15.222 179 2HD2 ASN 22 2HD2 ASN 22 -18.099 35.544 -13.586 180 H ALA 23 H ALA 23 -23.250 34.137 -15.231 181 HA ALA 23 HA ALA 23 -22.647 33.074 -17.883 182 1HB ALA 23 HB1 ALA 23 -24.483 31.537 -15.975 183 2HB ALA 23 HB2 ALA 23 -24.254 31.182 -17.700 184 3HB ALA 23 HB3 ALA 23 -22.902 30.979 -16.563 185 H THR 24 H THR 24 -24.411 33.338 -19.366 186 HA THR 24 HA THR 24 -26.276 35.509 -18.546 187 HB THR 24 HB THR 24 -25.761 34.569 -21.375 188 HG1 THR 24 HG1 THR 24 -24.308 36.415 -19.810 189 1HG2 THR 24 1HG2 THR 24 -26.382 36.888 -21.894 190 2HG2 THR 24 2HG2 THR 24 -27.678 36.072 -21.019 191 3HG2 THR 24 3HG2 THR 24 -26.643 37.213 -20.151 192 H ALA 25 H ALA 25 -28.269 34.954 -18.055 193 HA ALA 25 HA ALA 25 -29.505 32.434 -18.894 194 1HB ALA 25 HB1 ALA 25 -29.774 33.197 -16.632 195 2HB ALA 25 HB2 ALA 25 -30.417 34.770 -17.135 196 3HB ALA 25 HB3 ALA 25 -31.342 33.289 -17.420 197 H ASN 26 H ASN 26 -31.824 32.508 -19.629 198 HA ASN 26 HA ASN 26 -33.388 32.873 -21.129 199 1HB ASN 26 HB2 ASN 26 -32.352 35.653 -21.745 200 2HB ASN 26 HB3 ASN 26 -33.942 34.995 -22.043 201 1HD2 ASN 26 1HD2 ASN 26 -33.258 36.755 -18.507 202 2HD2 ASN 26 2HD2 ASN 26 -32.032 36.678 -19.775 203 H LEU 27 H LEU 27 -30.146 32.925 -21.918 204 HA LEU 27 HA LEU 27 -30.579 32.410 -24.819 205 1HB LEU 27 HB2 LEU 27 -28.022 32.806 -23.202 206 2HB LEU 27 HB3 LEU 27 -28.115 32.637 -24.953 207 HG LEU 27 HG LEU 27 -29.191 34.963 -23.325 208 1HD1 LEU 27 1HD1 LEU 27 -26.726 34.814 -23.552 209 2HD1 LEU 27 2HD1 LEU 27 -26.902 34.758 -25.313 210 3HD1 LEU 27 3HD1 LEU 27 -27.404 36.212 -24.418 211 1HD2 LEU 27 1HD2 LEU 27 -30.582 34.639 -25.310 212 2HD2 LEU 27 2HD2 LEU 27 -29.557 36.063 -25.526 213 3HD2 LEU 27 3HD2 LEU 27 -29.130 34.558 -26.349 214 H SER 28 H SER 28 -30.453 30.634 -21.977 215 HA SER 28 HA SER 28 -30.031 28.479 -21.390 216 1HB SER 28 HB2 SER 28 -30.738 27.945 -24.293 217 2HB SER 28 HB3 SER 28 -30.701 26.744 -23.000 218 HG SER 28 HG SER 28 -32.394 29.037 -23.185 219 H GLN 29 H GLN 29 -27.677 29.697 -21.586 220 HA GLN 29 HA GLN 29 -25.738 28.528 -23.358 221 1HB GLN 29 HB2 GLN 29 -25.506 29.951 -20.649 222 2HB GLN 29 HB3 GLN 29 -24.116 29.419 -21.583 223 1HG GLN 29 HG2 GLN 29 -24.798 30.744 -23.514 224 2HG GLN 29 HG3 GLN 29 -26.200 31.374 -22.624 225 1HE2 GLN 29 1HE2 GLN 29 -23.414 33.871 -22.327 226 2HE2 GLN 29 2HE2 GLN 29 -24.266 33.142 -23.682 227 H SER 30 H SER 30 -23.925 27.266 -22.825 228 HA SER 30 HA SER 30 -24.302 25.160 -20.753 229 1HB SER 30 HB2 SER 30 -22.846 23.730 -22.118 230 2HB SER 30 HB3 SER 30 -24.355 24.099 -22.906 231 HG SER 30 HG SER 30 -22.577 24.316 -24.355 232 H VAL 31 H VAL 31 -22.622 24.789 -19.390 233 HA VAL 31 HA VAL 31 -20.256 26.650 -19.392 234 HB VAL 31 HB VAL 31 -22.307 26.624 -17.133 235 1HG1 VAL 31 1HG1 VAL 31 -20.019 27.111 -16.299 236 2HG1 VAL 31 2HG1 VAL 31 -19.806 28.336 -17.587 237 3HG1 VAL 31 3HG1 VAL 31 -20.995 28.577 -16.267 238 1HG2 VAL 31 1HG2 VAL 31 -23.274 27.911 -18.981 239 2HG2 VAL 31 2HG2 VAL 31 -22.759 29.004 -17.706 240 3HG2 VAL 31 3HG2 VAL 31 -21.773 28.828 -19.169 241 H THR 32 H THR 32 -18.493 25.699 -18.440 242 HA THR 32 HA THR 32 -18.904 23.329 -16.672 243 HB THR 32 HB THR 32 -16.285 24.225 -17.898 244 HG1 THR 32 HG1 THR 32 -16.676 22.691 -19.461 245 1HG2 THR 32 1HG2 THR 32 -16.015 22.684 -15.998 246 2HG2 THR 32 2HG2 THR 32 -17.215 21.583 -16.659 247 3HG2 THR 32 3HG2 THR 32 -15.665 21.808 -17.497 248 H LEU 33 H LEU 33 -18.189 23.314 -14.597 249 HA LEU 33 HA LEU 33 -16.290 25.229 -13.546 250 1HB LEU 33 HB2 LEU 33 -17.786 26.132 -11.784 251 2HB LEU 33 HB3 LEU 33 -18.136 26.630 -13.419 252 HG LEU 33 HG LEU 33 -20.032 24.877 -13.434 253 1HD1 LEU 33 1HD1 LEU 33 -19.504 25.023 -10.436 254 2HD1 LEU 33 2HD1 LEU 33 -20.984 24.394 -11.196 255 3HD1 LEU 33 3HD1 LEU 33 -19.455 23.558 -11.471 256 1HD2 LEU 33 1HD2 LEU 33 -20.147 27.247 -11.526 257 2HD2 LEU 33 2HD2 LEU 33 -20.405 27.315 -13.274 258 3HD2 LEU 33 3HD2 LEU 33 -21.562 26.425 -12.266 259 H ALA 34 H ALA 34 -15.825 24.684 -11.137 260 HA ALA 34 HA ALA 34 -16.405 21.876 -10.461 261 1HB ALA 34 HB1 ALA 34 -14.789 21.836 -12.467 262 2HB ALA 34 HB2 ALA 34 -13.649 22.730 -11.480 263 3HB ALA 34 HB3 ALA 34 -14.111 21.094 -11.016 264 H CYS 35 H CYS 35 -15.625 21.022 -8.698 265 HA CYS 35 HA CYS 35 -13.834 22.582 -6.854 266 1HB CYS 35 HB2 CYS 35 -16.168 20.710 -6.180 267 2HB CYS 35 HB3 CYS 35 -14.825 21.036 -5.081 268 H ASP 36 H ASP 36 -11.833 21.698 -7.297 269 HA ASP 36 HA ASP 36 -11.604 19.051 -8.415 270 1HB ASP 36 HB2 ASP 36 -9.250 19.627 -8.774 271 2HB ASP 36 HB3 ASP 36 -10.396 20.746 -9.472 272 H ALA 37 H ALA 37 -12.397 17.827 -6.684 273 HA ALA 37 HA ALA 37 -10.768 17.273 -4.352 274 1HB ALA 37 HB1 ALA 37 -12.311 15.400 -4.006 275 2HB ALA 37 HB2 ALA 37 -13.224 16.845 -4.427 276 3HB ALA 37 HB3 ALA 37 -12.969 15.584 -5.648 277 H ASP 38 H ASP 38 -9.490 15.645 -3.867 278 HA ASP 38 HA ASP 38 -8.690 13.493 -5.693 279 1HB ASP 38 HB2 ASP 38 -7.469 15.527 -6.519 280 2HB ASP 38 HB3 ASP 38 -6.776 15.725 -4.899 281 H GLY 39 H GLY 39 -6.897 12.142 -4.551 282 1HA GLY 39 HA2 GLY 39 -5.943 12.304 -2.002 283 2HA GLY 39 HA3 GLY 39 -7.583 11.677 -1.750 284 H PHE 40 H PHE 40 -5.675 10.040 -0.896 285 HA PHE 40 HA PHE 40 -5.801 7.791 -2.823 286 1HB PHE 40 HB2 PHE 40 -3.270 8.487 -1.328 287 2HB PHE 40 HB3 PHE 40 -3.590 7.008 -2.234 288 HD1 PHE 40 HD1 PHE 40 -3.006 10.667 -2.552 289 HD2 PHE 40 HD2 PHE 40 -3.383 6.898 -4.622 290 HE1 PHE 40 HE1 PHE 40 -2.144 11.718 -4.630 291 HE2 PHE 40 HE2 PHE 40 -2.553 7.957 -6.700 292 HZ PHE 40 HZ PHE 40 -1.956 10.405 -6.708 293 HA PRO 41 HA PRO 41 -6.891 5.952 -2.815 294 1HB PRO 41 HB2 PRO 41 -9.291 4.919 -2.108 295 2HB PRO 41 HB3 PRO 41 -7.730 4.068 -1.836 296 1HG PRO 41 HG2 PRO 41 -9.313 5.746 0.115 297 2HG PRO 41 HG3 PRO 41 -8.679 4.085 0.367 298 1HD PRO 41 HD2 PRO 41 -7.306 6.298 1.242 299 2HD PRO 41 HD3 PRO 41 -6.443 4.902 0.545 300 H GLU 42 H GLU 42 -8.503 6.710 -4.220 301 HA GLU 42 HA GLU 42 -9.270 9.280 -4.414 302 1HB GLU 42 HB2 GLU 42 -10.883 6.861 -5.250 303 2HB GLU 42 HB3 GLU 42 -11.171 8.535 -5.780 304 1HG GLU 42 HG2 GLU 42 -8.888 8.605 -6.725 305 2HG GLU 42 HG3 GLU 42 -8.602 6.949 -6.234 306 HA PRO 43 HA PRO 43 -11.887 9.965 -0.951 307 1HB PRO 43 HB2 PRO 43 -12.667 12.527 -1.285 308 2HB PRO 43 HB3 PRO 43 -10.942 12.092 -1.062 309 1HG PRO 43 HG2 PRO 43 -12.424 12.589 -3.697 310 2HG PRO 43 HG3 PRO 43 -10.880 13.331 -3.114 311 1HD PRO 43 HD2 PRO 43 -10.896 11.108 -4.727 312 2HD PRO 43 HD3 PRO 43 -9.662 11.313 -3.447 313 H THR 44 H THR 44 -13.933 10.248 -0.169 314 HA THR 44 HA THR 44 -16.231 9.841 -2.085 315 HB THR 44 HB THR 44 -16.183 9.724 0.965 316 HG1 THR 44 HG1 THR 44 -16.324 7.489 0.639 317 1HG2 THR 44 1HG2 THR 44 -18.440 10.266 0.121 318 2HG2 THR 44 2HG2 THR 44 -18.314 8.941 -1.070 319 3HG2 THR 44 3HG2 THR 44 -18.383 8.570 0.680 320 H MET 45 H MET 45 -17.202 11.693 -2.816 321 HA MET 45 HA MET 45 -17.192 14.072 -1.031 322 1HB MET 45 HB2 MET 45 -16.154 15.448 -2.631 323 2HB MET 45 HB3 MET 45 -15.144 14.020 -2.499 324 1HG MET 45 HG2 MET 45 -15.195 14.298 -4.779 325 2HG MET 45 HG3 MET 45 -16.527 13.175 -4.579 326 1HE MET 45 HE1 MET 45 -15.295 16.678 -5.589 327 2HE MET 45 HE2 MET 45 -16.776 17.640 -5.734 328 3HE MET 45 HE3 MET 45 -16.181 17.186 -4.141 329 H THR 46 H THR 46 -18.588 15.735 -1.514 330 HA THR 46 HA THR 46 -20.642 15.440 -3.608 331 HB THR 46 HB THR 46 -22.526 15.756 -2.026 332 HG1 THR 46 HG1 THR 46 -22.183 15.182 0.169 333 1HG2 THR 46 1HG2 THR 46 -22.848 13.527 -1.336 334 2HG2 THR 46 2HG2 THR 46 -22.056 13.523 -2.913 335 3HG2 THR 46 3HG2 THR 46 -21.130 13.139 -1.442 336 H TRP 47 H TRP 47 -22.204 17.359 -3.517 337 HA TRP 47 HA TRP 47 -21.304 19.720 -2.094 338 1HB TRP 47 HB2 TRP 47 -20.937 21.078 -4.199 339 2HB TRP 47 HB3 TRP 47 -19.685 20.040 -3.575 340 HD1 TRP 47 HD1 TRP 47 -19.585 17.504 -5.007 341 HE1 TRP 47 HE1 TRP 47 -18.727 17.524 -7.405 342 HE3 TRP 47 HE3 TRP 47 -21.004 22.227 -6.369 343 HZ2 TRP 47 HZ2 TRP 47 -18.534 19.350 -9.567 344 HZ3 TRP 47 HZ3 TRP 47 -20.236 23.192 -8.521 345 HH2 TRP 47 HH2 TRP 47 -18.995 21.776 -10.127 346 H THR 48 H THR 48 -22.658 21.664 -2.486 347 HA THR 48 HA THR 48 -25.464 20.803 -3.103 348 HB THR 48 HB THR 48 -26.231 22.080 -1.174 349 HG1 THR 48 HG1 THR 48 -24.709 23.034 0.204 350 1HG2 THR 48 1HG2 THR 48 -25.289 20.827 0.648 351 2HG2 THR 48 2HG2 THR 48 -25.391 19.722 -0.742 352 3HG2 THR 48 3HG2 THR 48 -23.829 20.459 -0.255 353 H LYS 49 H LYS 49 -27.004 22.401 -3.647 354 HA LYS 49 HA LYS 49 -25.986 24.818 -5.053 355 1HB LYS 49 HB2 LYS 49 -27.377 23.071 -6.262 356 2HB LYS 49 HB3 LYS 49 -28.730 23.489 -5.201 357 1HG LYS 49 HG2 LYS 49 -28.474 25.888 -6.057 358 2HG LYS 49 HG3 LYS 49 -27.298 25.258 -7.237 359 1HD LYS 49 HD2 LYS 49 -29.080 23.757 -8.104 360 2HD LYS 49 HD3 LYS 49 -30.218 24.424 -6.952 361 1HE LYS 49 HE2 LYS 49 -28.812 26.040 -9.138 362 2HE LYS 49 HE3 LYS 49 -30.428 25.340 -9.255 363 1HZ LYS 49 HZ1 LYS 49 -30.919 26.717 -7.183 364 2HZ LYS 49 HZ2 LYS 49 -29.571 27.594 -7.561 365 3HZ LYS 49 HZ3 LYS 49 -30.819 27.505 -8.617 366 H ASP 50 H ASP 50 -25.589 25.718 -2.910 367 HA ASP 50 HA ASP 50 -25.978 27.086 -1.156 368 1HB ASP 50 HB2 ASP 50 -27.178 28.467 -2.827 369 2HB ASP 50 HB3 ASP 50 -28.689 27.642 -2.410 370 H GLY 51 H GLY 51 -27.935 24.352 -1.529 371 1HA GLY 51 HA2 GLY 51 -27.921 23.753 1.255 372 2HA GLY 51 HA3 GLY 51 -29.510 24.385 0.842 373 H GLU 52 H GLU 52 -29.549 23.132 -1.872 374 HA GLU 52 HA GLU 52 -30.284 20.423 -0.990 375 1HB GLU 52 HB2 GLU 52 -31.564 20.228 -2.999 376 2HB GLU 52 HB3 GLU 52 -31.960 21.721 -2.138 377 1HG GLU 52 HG2 GLU 52 -30.588 22.995 -3.760 378 2HG GLU 52 HG3 GLU 52 -30.222 21.505 -4.623 379 HA PRO 53 HA PRO 53 -26.716 18.633 -2.633 380 1HB PRO 53 HB2 PRO 53 -28.038 16.037 -3.232 381 2HB PRO 53 HB3 PRO 53 -26.785 16.399 -2.046 382 1HG PRO 53 HG2 PRO 53 -29.349 15.915 -1.300 383 2HG PRO 53 HG3 PRO 53 -28.340 17.128 -0.438 384 1HD PRO 53 HD2 PRO 53 -30.409 17.593 -2.612 385 2HD PRO 53 HD3 PRO 53 -30.206 18.429 -1.055 386 H ILE 54 H ILE 54 -25.536 18.609 -4.364 387 HA ILE 54 HA ILE 54 -26.612 17.992 -7.072 388 HB ILE 54 HB ILE 54 -23.957 19.296 -6.358 389 1HG1 ILE 54 2HG1 ILE 54 -26.383 20.909 -7.300 390 2HG1 ILE 54 3HG1 ILE 54 -26.066 20.702 -5.589 391 1HG2 ILE 54 1HG2 ILE 54 -24.147 18.410 -8.718 392 2HG2 ILE 54 2HG2 ILE 54 -25.573 19.448 -8.962 393 3HG2 ILE 54 3HG2 ILE 54 -23.979 20.159 -8.684 394 1HD1 ILE 54 1HD1 ILE 54 -23.846 21.667 -5.808 395 2HD1 ILE 54 2HD1 ILE 54 -24.087 21.933 -7.541 396 3HD1 ILE 54 3HD1 ILE 54 -25.066 22.810 -6.376 397 H GLU 55 H GLU 55 -26.335 15.950 -5.279 398 HA GLU 55 HA GLU 55 -23.928 14.687 -4.865 399 1HB GLU 55 HB2 GLU 55 -25.297 12.575 -4.719 400 2HB GLU 55 HB3 GLU 55 -25.692 13.925 -3.629 401 1HG GLU 55 HG2 GLU 55 -27.630 14.459 -5.199 402 2HG GLU 55 HG3 GLU 55 -27.266 12.962 -6.050 403 H GLN 56 H GLN 56 -22.395 14.163 -6.182 404 HA GLN 56 HA GLN 56 -22.673 13.551 -8.911 405 1HB GLN 56 HB2 GLN 56 -20.378 12.860 -7.049 406 2HB GLN 56 HB3 GLN 56 -20.256 13.004 -8.796 407 1HG GLN 56 HG2 GLN 56 -20.888 15.344 -6.900 408 2HG GLN 56 HG3 GLN 56 -19.342 14.987 -7.624 409 1HE2 GLN 56 1HE2 GLN 56 -22.093 16.897 -9.908 410 2HE2 GLN 56 2HE2 GLN 56 -22.508 16.384 -8.271 411 H GLU 57 H GLU 57 -23.675 11.605 -6.505 412 HA GLU 57 HA GLU 57 -22.950 9.001 -7.698 413 1HB GLU 57 HB2 GLU 57 -24.289 9.790 -5.097 414 2HB GLU 57 HB3 GLU 57 -23.986 8.117 -5.582 415 1HG GLU 57 HG2 GLU 57 -21.799 10.194 -5.126 416 2HG GLU 57 HG3 GLU 57 -22.325 9.036 -3.932 417 H ASP 58 H ASP 58 -25.517 11.181 -7.921 418 HA ASP 58 HA ASP 58 -27.278 9.191 -9.246 419 1HB ASP 58 HB2 ASP 58 -27.677 8.792 -6.783 420 2HB ASP 58 HB3 ASP 58 -28.141 10.471 -6.612 421 H ASN 59 H ASN 59 -26.698 12.538 -8.299 422 HA ASN 59 HA ASN 59 -29.149 13.397 -9.763 423 1HB ASN 59 HB2 ASN 59 -28.392 14.356 -7.497 424 2HB ASN 59 HB3 ASN 59 -27.176 15.240 -8.387 425 1HD2 ASN 59 1HD2 ASN 59 -30.141 17.458 -8.076 426 2HD2 ASN 59 2HD2 ASN 59 -28.936 16.799 -7.008 427 H GLU 60 H GLU 60 -29.248 14.642 -11.524 428 HA GLU 60 HA GLU 60 -26.881 15.162 -13.272 429 1HB GLU 60 HB2 GLU 60 -29.151 13.240 -13.905 430 2HB GLU 60 HB3 GLU 60 -27.985 13.816 -15.096 431 1HG GLU 60 HG2 GLU 60 -26.148 12.726 -13.780 432 2HG GLU 60 HG3 GLU 60 -27.362 12.051 -12.697 433 H GLU 61 H GLU 61 -29.583 16.436 -12.041 434 HA GLU 61 HA GLU 61 -31.613 17.106 -13.368 435 1HB GLU 61 HB2 GLU 61 -30.528 18.188 -11.302 436 2HB GLU 61 HB3 GLU 61 -29.982 19.476 -12.377 437 1HG GLU 61 HG2 GLU 61 -32.867 18.541 -12.140 438 2HG GLU 61 HG3 GLU 61 -32.181 19.701 -11.028 439 H LYS 62 H LYS 62 -28.732 18.879 -14.365 440 HA LYS 62 HA LYS 62 -29.399 18.715 -17.161 441 1HB LYS 62 HB2 LYS 62 -29.439 21.141 -17.707 442 2HB LYS 62 HB3 LYS 62 -30.814 20.624 -16.756 443 1HG LYS 62 HG2 LYS 62 -29.627 21.501 -14.682 444 2HG LYS 62 HG3 LYS 62 -28.428 22.193 -15.762 445 1HD LYS 62 HD2 LYS 62 -30.175 23.478 -16.943 446 2HD LYS 62 HD3 LYS 62 -31.398 22.841 -15.833 447 1HE LYS 62 HE2 LYS 62 -28.909 24.255 -14.832 448 2HE LYS 62 HE3 LYS 62 -30.327 25.198 -15.323 449 1HZ LYS 62 HZ1 LYS 62 -30.025 24.419 -12.862 450 2HZ LYS 62 HZ2 LYS 62 -31.534 24.368 -13.544 451 3HZ LYS 62 HZ3 LYS 62 -30.650 22.987 -13.370 452 H TYR 63 H TYR 63 -27.396 17.557 -15.862 453 HA TYR 63 HA TYR 63 -25.000 18.848 -16.993 454 1HB TYR 63 HB2 TYR 63 -23.909 18.839 -14.674 455 2HB TYR 63 HB3 TYR 63 -24.959 20.153 -15.089 456 HD1 TYR 63 HD1 TYR 63 -25.013 16.901 -13.201 457 HD2 TYR 63 HD2 TYR 63 -26.618 20.874 -13.685 458 HE1 TYR 63 HE1 TYR 63 -26.259 16.675 -11.046 459 HE2 TYR 63 HE2 TYR 63 -27.886 20.625 -11.564 460 HH TYR 63 HH TYR 63 -28.340 19.273 -9.749 461 H SER 64 H SER 64 -23.006 17.814 -16.655 462 HA SER 64 HA SER 64 -22.992 14.857 -16.238 463 1HB SER 64 HB2 SER 64 -22.220 16.285 -18.814 464 2HB SER 64 HB3 SER 64 -21.856 14.583 -18.433 465 HG SER 64 HG SER 64 -23.732 14.774 -19.706 466 H PHE 65 H PHE 65 -21.065 14.220 -15.372 467 HA PHE 65 HA PHE 65 -18.699 16.009 -15.433 468 1HB PHE 65 HB2 PHE 65 -18.802 15.680 -12.946 469 2HB PHE 65 HB3 PHE 65 -20.207 16.467 -13.675 470 HD1 PHE 65 HD1 PHE 65 -22.392 15.736 -13.336 471 HD2 PHE 65 HD2 PHE 65 -19.098 13.152 -12.290 472 HE1 PHE 65 HE1 PHE 65 -23.976 14.082 -12.392 473 HE2 PHE 65 HE2 PHE 65 -20.674 11.510 -11.326 474 HZ PHE 65 HZ PHE 65 -23.127 11.950 -11.425 475 H ASN 66 H ASN 66 -16.892 15.109 -14.072 476 HA ASN 66 HA ASN 66 -15.966 12.691 -15.416 477 1HB ASN 66 HB2 ASN 66 -13.792 13.513 -14.963 478 2HB ASN 66 HB3 ASN 66 -14.765 14.882 -15.453 479 1HD2 ASN 66 1HD2 ASN 66 -13.002 16.303 -12.659 480 2HD2 ASN 66 2HD2 ASN 66 -12.853 16.073 -14.392 481 H TYR 67 H TYR 67 -14.121 11.512 -14.022 482 HA TYR 67 HA TYR 67 -15.580 10.061 -11.975 483 1HB TYR 67 HB2 TYR 67 -13.710 8.541 -12.028 484 2HB TYR 67 HB3 TYR 67 -14.362 8.836 -13.632 485 HD1 TYR 67 HD1 TYR 67 -12.996 9.777 -15.398 486 HD2 TYR 67 HD2 TYR 67 -11.479 9.613 -11.354 487 HE1 TYR 67 HE1 TYR 67 -10.704 10.311 -16.221 488 HE2 TYR 67 HE2 TYR 67 -9.209 10.163 -12.181 489 HH TYR 67 HH TYR 67 -7.911 10.624 -14.004 490 H ASP 68 H ASP 68 -13.416 12.730 -11.727 491 HA ASP 68 HA ASP 68 -12.494 12.198 -8.945 492 1HB ASP 68 HB2 ASP 68 -12.395 14.661 -10.705 493 2HB ASP 68 HB3 ASP 68 -11.702 14.515 -9.099 494 H GLY 69 H GLY 69 -15.342 13.361 -10.503 495 1HA GLY 69 HA2 GLY 69 -17.395 14.095 -9.638 496 2HA GLY 69 HA3 GLY 69 -16.713 14.128 -8.010 497 H SER 70 H SER 70 -14.913 15.794 -10.498 498 HA SER 70 HA SER 70 -15.429 18.322 -9.068 499 1HB SER 70 HB2 SER 70 -13.267 19.029 -9.874 500 2HB SER 70 HB3 SER 70 -13.168 17.502 -8.985 501 HG SER 70 HG SER 70 -11.935 17.272 -10.832 502 H GLU 71 H GLU 71 -14.657 17.491 -12.487 503 HA GLU 71 HA GLU 71 -15.552 20.081 -13.381 504 1HB GLU 71 HB2 GLU 71 -14.844 17.621 -14.972 505 2HB GLU 71 HB3 GLU 71 -15.139 19.230 -15.664 506 1HG GLU 71 HG2 GLU 71 -13.242 20.178 -14.497 507 2HG GLU 71 HG3 GLU 71 -12.980 18.677 -13.596 508 H LEU 72 H LEU 72 -17.657 20.401 -12.756 509 HA LEU 72 HA LEU 72 -19.800 18.705 -13.827 510 1HB LEU 72 HB2 LEU 72 -19.828 19.605 -11.506 511 2HB LEU 72 HB3 LEU 72 -19.948 21.244 -12.172 512 HG LEU 72 HG LEU 72 -22.091 20.524 -13.307 513 1HD1 LEU 72 1HD1 LEU 72 -21.896 18.121 -13.381 514 2HD1 LEU 72 2HD1 LEU 72 -21.597 18.031 -11.627 515 3HD1 LEU 72 3HD1 LEU 72 -23.196 18.466 -12.226 516 1HD2 LEU 72 1HD2 LEU 72 -22.088 21.795 -11.220 517 2HD2 LEU 72 2HD2 LEU 72 -23.445 20.636 -11.242 518 3HD2 LEU 72 3HD2 LEU 72 -21.983 20.296 -10.288 519 H ILE 73 H ILE 73 -20.014 18.915 -15.938 520 HA ILE 73 HA ILE 73 -20.072 21.586 -17.240 521 HB ILE 73 HB ILE 73 -20.555 18.899 -18.530 522 1HG1 ILE 73 2HG1 ILE 73 -17.930 20.355 -18.880 523 2HG1 ILE 73 3HG1 ILE 73 -18.134 19.343 -17.458 524 1HG2 ILE 73 1HG2 ILE 73 -21.451 20.925 -19.722 525 2HG2 ILE 73 2HG2 ILE 73 -19.895 21.703 -19.606 526 3HG2 ILE 73 3HG2 ILE 73 -20.071 20.249 -20.607 527 1HD1 ILE 73 1HD1 ILE 73 -18.655 17.402 -18.777 528 2HD1 ILE 73 2HD1 ILE 73 -18.571 18.376 -20.302 529 3HD1 ILE 73 3HD1 ILE 73 -17.114 18.107 -19.319 530 H ILE 74 H ILE 74 -21.845 22.641 -17.209 531 HA ILE 74 HA ILE 74 -24.488 21.336 -16.743 532 HB ILE 74 HB ILE 74 -23.811 24.276 -16.410 533 1HG1 ILE 74 2HG1 ILE 74 -23.729 22.165 -14.182 534 2HG1 ILE 74 3HG1 ILE 74 -22.326 23.002 -14.870 535 1HG2 ILE 74 1HG2 ILE 74 -25.857 24.288 -14.991 536 2HG2 ILE 74 2HG2 ILE 74 -26.178 23.768 -16.642 537 3HG2 ILE 74 3HG2 ILE 74 -26.085 22.578 -15.325 538 1HD1 ILE 74 1HD1 ILE 74 -24.519 24.283 -13.224 539 2HD1 ILE 74 2HD1 ILE 74 -22.809 24.063 -12.818 540 3HD1 ILE 74 3HD1 ILE 74 -23.263 25.199 -14.097 541 H LYS 75 H LYS 75 -26.139 21.719 -18.078 542 HA LYS 75 HA LYS 75 -25.681 23.443 -20.479 543 1HB LYS 75 HB2 LYS 75 -27.194 21.908 -21.748 544 2HB LYS 75 HB3 LYS 75 -25.617 21.262 -21.345 545 1HG LYS 75 HG2 LYS 75 -26.575 19.894 -19.570 546 2HG LYS 75 HG3 LYS 75 -28.177 20.626 -19.808 547 1HD LYS 75 HD2 LYS 75 -28.286 19.743 -22.100 548 2HD LYS 75 HD3 LYS 75 -26.691 19.018 -21.961 549 1HE LYS 75 HE2 LYS 75 -29.036 18.304 -20.098 550 2HE LYS 75 HE3 LYS 75 -28.720 17.484 -21.644 551 1HZ LYS 75 HZ1 LYS 75 -26.546 16.831 -20.814 552 2HZ LYS 75 HZ2 LYS 75 -26.791 17.604 -19.395 553 3HZ LYS 75 HZ3 LYS 75 -27.721 16.302 -19.789 554 H LYS 76 H LYS 76 -27.431 24.447 -21.321 555 HA LYS 76 HA LYS 76 -29.100 25.950 -21.258 556 1HB LYS 76 HB2 LYS 76 -31.344 25.106 -21.048 557 2HB LYS 76 HB3 LYS 76 -30.333 24.044 -21.988 558 1HG LYS 76 HG2 LYS 76 -30.143 22.433 -20.159 559 2HG LYS 76 HG3 LYS 76 -31.038 23.532 -19.078 560 1HD LYS 76 HD2 LYS 76 -33.028 23.368 -20.547 561 2HD LYS 76 HD3 LYS 76 -32.130 22.255 -21.609 562 1HE LYS 76 HE2 LYS 76 -31.892 20.661 -19.723 563 2HE LYS 76 HE3 LYS 76 -32.699 21.794 -18.636 564 1HZ LYS 76 HZ1 LYS 76 -34.722 21.561 -20.007 565 2HZ LYS 76 HZ2 LYS 76 -33.942 20.588 -21.065 566 3HZ LYS 76 HZ3 LYS 76 -34.231 20.080 -19.535 567 H VAL 77 H VAL 77 -27.513 26.578 -19.348 568 HA VAL 77 HA VAL 77 -28.540 27.008 -16.710 569 HB VAL 77 HB VAL 77 -26.616 28.662 -18.390 570 1HG1 VAL 77 1HG1 VAL 77 -25.760 29.517 -16.205 571 2HG1 VAL 77 2HG1 VAL 77 -27.390 30.103 -16.563 572 3HG1 VAL 77 3HG1 VAL 77 -27.167 28.783 -15.398 573 1HG2 VAL 77 1HG2 VAL 77 -26.152 26.535 -16.229 574 2HG2 VAL 77 2HG2 VAL 77 -25.838 26.348 -17.984 575 3HG2 VAL 77 3HG2 VAL 77 -24.881 27.472 -17.017 576 H ASP 78 H ASP 78 -29.715 28.664 -15.785 577 HA ASP 78 HA ASP 78 -30.532 31.020 -17.262 578 1HB ASP 78 HB2 ASP 78 -32.176 28.964 -17.814 579 2HB ASP 78 HB3 ASP 78 -32.903 29.439 -16.296 580 H LYS 79 H LYS 79 -32.397 32.120 -15.780 581 HA LYS 79 HA LYS 79 -31.093 33.333 -13.666 582 1HB LYS 79 HB2 LYS 79 -34.081 32.946 -14.042 583 2HB LYS 79 HB3 LYS 79 -33.376 34.175 -13.003 584 1HG LYS 79 HG2 LYS 79 -32.328 35.274 -14.915 585 2HG LYS 79 HG3 LYS 79 -32.898 34.044 -16.029 586 1HD LYS 79 HD2 LYS 79 -34.668 35.902 -14.407 587 2HD LYS 79 HD3 LYS 79 -34.255 36.109 -16.098 588 1HE LYS 79 HE2 LYS 79 -35.863 33.768 -14.955 589 2HE LYS 79 HE3 LYS 79 -36.539 35.154 -15.777 590 1HZ LYS 79 HZ1 LYS 79 -34.743 33.105 -16.995 591 2HZ LYS 79 HZ2 LYS 79 -36.332 33.315 -17.288 592 3HZ LYS 79 HZ3 LYS 79 -35.275 34.439 -17.799 593 H SER 80 H SER 80 -33.105 30.431 -13.379 594 HA SER 80 HA SER 80 -33.177 30.485 -10.480 595 1HB SER 80 HB2 SER 80 -34.389 28.330 -10.789 596 2HB SER 80 HB3 SER 80 -35.104 29.695 -11.656 597 HG SER 80 HG SER 80 -34.969 27.805 -12.968 598 H ASP 81 H ASP 81 -30.793 29.485 -12.677 599 HA ASP 81 HA ASP 81 -29.898 27.187 -11.103 600 1HB ASP 81 HB2 ASP 81 -29.824 27.422 -13.658 601 2HB ASP 81 HB3 ASP 81 -28.452 28.487 -13.412 602 H GLU 82 H GLU 82 -29.534 30.486 -10.662 603 HA GLU 82 HA GLU 82 -26.903 31.004 -9.818 604 1HB GLU 82 HB2 GLU 82 -28.786 32.622 -9.918 605 2HB GLU 82 HB3 GLU 82 -29.549 31.802 -8.537 606 1HG GLU 82 HG2 GLU 82 -27.495 32.403 -7.176 607 2HG GLU 82 HG3 GLU 82 -26.869 33.257 -8.606 608 H ALA 83 H ALA 83 -25.658 30.472 -8.015 609 HA ALA 83 HA ALA 83 -26.780 28.783 -5.819 610 1HB ALA 83 HB1 ALA 83 -25.501 26.820 -6.422 611 2HB ALA 83 HB2 ALA 83 -26.534 27.270 -7.804 612 3HB ALA 83 HB3 ALA 83 -24.802 27.618 -7.819 613 H GLU 84 H GLU 84 -25.287 28.099 -4.280 614 HA GLU 84 HA GLU 84 -22.595 29.362 -4.274 615 1HB GLU 84 HB2 GLU 84 -24.171 30.635 -2.779 616 2HB GLU 84 HB3 GLU 84 -24.379 29.181 -1.809 617 1HG GLU 84 HG2 GLU 84 -21.986 29.130 -1.264 618 2HG GLU 84 HG3 GLU 84 -21.650 30.424 -2.373 619 H TYR 85 H TYR 85 -21.394 27.673 -4.677 620 HA TYR 85 HA TYR 85 -22.289 24.944 -4.097 621 1HB TYR 85 HB2 TYR 85 -19.915 25.997 -5.602 622 2HB TYR 85 HB3 TYR 85 -20.362 24.313 -5.491 623 HD1 TYR 85 HD1 TYR 85 -20.376 27.028 -7.623 624 HD2 TYR 85 HD2 TYR 85 -22.947 23.907 -6.207 625 HE1 TYR 85 HE1 TYR 85 -21.623 27.076 -9.773 626 HE2 TYR 85 HE2 TYR 85 -24.211 23.924 -8.399 627 HH TYR 85 HH TYR 85 -24.387 24.881 -10.462 628 H ILE 86 H ILE 86 -22.090 24.796 -1.831 629 HA ILE 86 HA ILE 86 -19.345 24.847 -0.676 630 HB ILE 86 HB ILE 86 -21.999 23.944 0.484 631 1HG1 ILE 86 2HG1 ILE 86 -21.459 25.771 2.168 632 2HG1 ILE 86 3HG1 ILE 86 -20.154 26.281 1.115 633 1HG2 ILE 86 1HG2 ILE 86 -20.698 23.654 2.617 634 2HG2 ILE 86 2HG2 ILE 86 -20.254 22.479 1.381 635 3HG2 ILE 86 3HG2 ILE 86 -19.197 23.871 1.682 636 1HD1 ILE 86 1HD1 ILE 86 -22.242 27.613 0.990 637 2HD1 ILE 86 2HD1 ILE 86 -21.729 26.984 -0.575 638 3HD1 ILE 86 3HD1 ILE 86 -23.097 26.213 0.320 639 H CYS 87 H CYS 87 -17.980 23.214 -0.921 640 HA CYS 87 HA CYS 87 -19.006 20.555 -1.740 641 1HB CYS 87 HB2 CYS 87 -17.149 20.426 -3.383 642 2HB CYS 87 HB3 CYS 87 -18.306 21.701 -3.738 643 H ILE 88 H ILE 88 -18.169 18.837 -0.901 644 HA ILE 88 HA ILE 88 -16.071 19.095 1.197 645 HB ILE 88 HB ILE 88 -18.809 17.743 1.423 646 1HG1 ILE 88 2HG1 ILE 88 -17.770 20.312 2.752 647 2HG1 ILE 88 3HG1 ILE 88 -18.986 20.216 1.494 648 1HG2 ILE 88 1HG2 ILE 88 -17.118 16.555 2.733 649 2HG2 ILE 88 2HG2 ILE 88 -16.557 18.075 3.456 650 3HG2 ILE 88 3HG2 ILE 88 -18.159 17.409 3.840 651 1HD1 ILE 88 1HD1 ILE 88 -20.455 18.923 3.020 652 2HD1 ILE 88 2HD1 ILE 88 -19.300 19.233 4.331 653 3HD1 ILE 88 3HD1 ILE 88 -20.133 20.580 3.559 654 H ALA 89 H ALA 89 -14.777 17.342 1.514 655 HA ALA 89 HA ALA 89 -15.321 14.799 0.093 656 1HB ALA 89 HB1 ALA 89 -13.817 16.122 -1.329 657 2HB ALA 89 HB2 ALA 89 -12.700 16.320 0.042 658 3HB ALA 89 HB3 ALA 89 -13.014 14.721 -0.668 659 H GLU 90 H GLU 90 -14.557 12.970 1.077 660 HA GLU 90 HA GLU 90 -13.130 13.122 3.680 661 1HB GLU 90 HB2 GLU 90 -15.572 13.387 4.151 662 2HB GLU 90 HB3 GLU 90 -15.880 11.895 3.241 663 1HG GLU 90 HG2 GLU 90 -14.506 10.613 4.908 664 2HG GLU 90 HG3 GLU 90 -14.152 12.128 5.755 665 H ASN 91 H ASN 91 -11.980 11.262 4.175 666 HA ASN 91 HA ASN 91 -12.661 8.744 2.915 667 1HB ASN 91 HB2 ASN 91 -10.695 8.176 1.797 668 2HB ASN 91 HB3 ASN 91 -11.168 9.733 1.198 669 1HD2 ASN 91 1HD2 ASN 91 -7.567 10.020 1.474 670 2HD2 ASN 91 2HD2 ASN 91 -8.797 9.331 0.414 671 H LYS 92 H LYS 92 -10.675 7.054 3.863 672 HA LYS 92 HA LYS 92 -11.097 7.130 6.665 673 1HB LYS 92 HB2 LYS 92 -9.622 5.246 6.809 674 2HB LYS 92 HB3 LYS 92 -10.817 5.014 5.564 675 1HG LYS 92 HG2 LYS 92 -7.899 5.874 5.054 676 2HG LYS 92 HG3 LYS 92 -8.412 4.203 5.160 677 1HD LYS 92 HD2 LYS 92 -9.181 6.194 3.021 678 2HD LYS 92 HD3 LYS 92 -8.143 4.783 2.888 679 1HE LYS 92 HE2 LYS 92 -11.156 4.703 3.447 680 2HE LYS 92 HE3 LYS 92 -10.388 4.434 1.880 681 1HZ LYS 92 HZ1 LYS 92 -9.284 2.512 2.784 682 2HZ LYS 92 HZ2 LYS 92 -9.924 2.750 4.275 683 3HZ LYS 92 HZ3 LYS 92 -10.893 2.367 3.023 684 H ALA 93 H ALA 93 -8.606 8.601 4.900 685 HA ALA 93 HA ALA 93 -6.770 8.935 7.211 686 1HB ALA 93 HB1 ALA 93 -5.256 9.947 5.561 687 2HB ALA 93 HB2 ALA 93 -5.805 8.337 5.074 688 3HB ALA 93 HB3 ALA 93 -6.503 9.799 4.301 689 H GLY 94 H GLY 94 -9.327 10.825 5.675 690 1HA GLY 94 HA2 GLY 94 -9.285 12.798 7.705 691 2HA GLY 94 HA3 GLY 94 -8.328 13.418 6.385 692 H GLU 95 H GLU 95 -9.849 15.126 6.431 693 HA GLU 95 HA GLU 95 -12.195 14.819 4.669 694 1HB GLU 95 HB2 GLU 95 -12.991 14.374 7.013 695 2HB GLU 95 HB3 GLU 95 -12.396 15.968 7.475 696 1HG GLU 95 HG2 GLU 95 -14.023 17.000 5.851 697 2HG GLU 95 HG3 GLU 95 -14.623 15.396 5.470 698 H GLN 96 H GLN 96 -12.856 16.791 3.700 699 HA GLN 96 HA GLN 96 -11.285 19.250 4.191 700 1HB GLN 96 HB2 GLN 96 -10.027 17.383 2.731 701 2HB GLN 96 HB3 GLN 96 -11.077 17.953 1.450 702 1HG GLN 96 HG2 GLN 96 -9.043 19.132 1.227 703 2HG GLN 96 HG3 GLN 96 -10.125 20.300 1.935 704 1HE2 GLN 96 1HE2 GLN 96 -7.076 18.684 4.253 705 2HE2 GLN 96 2HE2 GLN 96 -7.659 17.825 2.809 706 H ASP 97 H ASP 97 -11.938 21.073 2.719 707 HA ASP 97 HA ASP 97 -14.420 20.786 1.221 708 1HB ASP 97 HB2 ASP 97 -15.778 22.248 2.569 709 2HB ASP 97 HB3 ASP 97 -15.266 20.861 3.551 710 H ALA 98 H ALA 98 -15.039 22.604 0.008 711 HA ALA 98 HA ALA 98 -13.569 25.139 0.220 712 1HB ALA 98 HB1 ALA 98 -13.660 23.538 -2.404 713 2HB ALA 98 HB2 ALA 98 -13.049 25.173 -2.233 714 3HB ALA 98 HB3 ALA 98 -12.217 23.867 -1.407 715 H THR 99 H THR 99 -14.592 26.761 -1.509 716 HA THR 99 HA THR 99 -17.546 26.395 -1.766 717 HB THR 99 HB THR 99 -16.184 28.790 -0.505 718 HG1 THR 99 HG1 THR 99 -17.027 28.067 1.427 719 1HG2 THR 99 1HG2 THR 99 -19.121 27.985 -0.875 720 2HG2 THR 99 2HG2 THR 99 -18.592 29.279 0.231 721 3HG2 THR 99 3HG2 THR 99 -18.299 29.437 -1.511 722 H ILE 100 H ILE 100 -18.439 27.439 -3.516 723 HA ILE 100 HA ILE 100 -16.899 29.503 -5.050 724 HB ILE 100 HB ILE 100 -18.223 27.042 -6.210 725 1HG1 ILE 100 2HG1 ILE 100 -15.322 27.901 -6.291 726 2HG1 ILE 100 3HG1 ILE 100 -15.967 26.620 -5.297 727 1HG2 ILE 100 1HG2 ILE 100 -18.740 28.911 -7.694 728 2HG2 ILE 100 2HG2 ILE 100 -17.019 29.395 -7.698 729 3HG2 ILE 100 3HG2 ILE 100 -17.529 27.869 -8.428 730 1HD1 ILE 100 1HD1 ILE 100 -14.995 25.519 -7.085 731 2HD1 ILE 100 2HD1 ILE 100 -16.743 25.423 -7.398 732 3HD1 ILE 100 3HD1 ILE 100 -15.712 26.562 -8.307 733 H HIS 101 H HIS 101 -18.220 31.058 -6.068 734 HA HIS 101 HA HIS 101 -21.194 30.928 -5.552 735 1HB HIS 101 HB2 HIS 101 -19.495 33.353 -6.196 736 2HB HIS 101 HB3 HIS 101 -21.167 33.326 -5.670 737 HD1 HIS 101 HD1 HIS 101 -21.575 32.886 -2.960 738 HD2 HIS 101 HD2 HIS 101 -17.579 33.047 -4.297 739 HE1 HIS 101 HE1 HIS 101 -20.118 33.066 -0.888 740 H LEU 102 H LEU 102 -22.611 31.025 -7.290 741 HA LEU 102 HA LEU 102 -21.462 31.563 -9.979 742 1HB LEU 102 HB2 LEU 102 -22.010 29.286 -9.899 743 2HB LEU 102 HB3 LEU 102 -23.590 29.579 -9.137 744 HG LEU 102 HG LEU 102 -24.369 30.688 -11.218 745 1HD1 LEU 102 1HD1 LEU 102 -22.193 31.442 -12.162 746 2HD1 LEU 102 2HD1 LEU 102 -21.735 29.758 -12.428 747 3HD1 LEU 102 3HD1 LEU 102 -23.093 30.451 -13.319 748 1HD2 LEU 102 1HD2 LEU 102 -24.748 28.256 -10.857 749 2HD2 LEU 102 2HD2 LEU 102 -24.630 28.672 -12.563 750 3HD2 LEU 102 3HD2 LEU 102 -23.238 27.926 -11.734 751 H LYS 103 H LYS 103 -21.927 33.526 -10.435 752 HA LYS 103 HA LYS 103 -24.512 34.840 -9.742 753 1HB LYS 103 HB2 LYS 103 -21.953 35.997 -10.915 754 2HB LYS 103 HB3 LYS 103 -23.375 36.892 -10.376 755 1HG LYS 103 HG2 LYS 103 -21.471 35.242 -8.645 756 2HG LYS 103 HG3 LYS 103 -21.538 36.984 -8.735 757 1HD LYS 103 HD2 LYS 103 -23.928 36.880 -7.860 758 2HD LYS 103 HD3 LYS 103 -23.684 35.133 -7.626 759 1HE LYS 103 HE2 LYS 103 -21.760 35.557 -6.118 760 2HE LYS 103 HE3 LYS 103 -21.978 37.310 -6.373 761 1HZ LYS 103 HZ1 LYS 103 -23.053 36.589 -4.328 762 2HZ LYS 103 HZ2 LYS 103 -24.175 37.116 -5.366 763 3HZ LYS 103 HZ3 LYS 103 -23.990 35.507 -5.112 764 H VAL 104 H VAL 104 -25.882 33.777 -11.154 765 HA VAL 104 HA VAL 104 -25.554 34.063 -14.073 766 HB VAL 104 HB VAL 104 -28.028 33.181 -12.532 767 1HG1 VAL 104 1HG1 VAL 104 -28.593 32.099 -14.719 768 2HG1 VAL 104 2HG1 VAL 104 -28.515 33.857 -14.831 769 3HG1 VAL 104 3HG1 VAL 104 -27.155 32.857 -15.445 770 1HG2 VAL 104 1HG2 VAL 104 -26.223 31.580 -12.028 771 2HG2 VAL 104 2HG2 VAL 104 -27.344 30.858 -13.168 772 3HG2 VAL 104 3HG2 VAL 104 -25.784 31.476 -13.743 773 H PHE 105 H PHE 105 -26.208 35.797 -15.299 774 HA PHE 105 HA PHE 105 -28.021 37.797 -14.101 775 1HB PHE 105 HB2 PHE 105 -26.704 39.406 -15.316 776 2HB PHE 105 HB3 PHE 105 -25.738 38.531 -14.144 777 HD1 PHE 105 HD1 PHE 105 -23.925 37.043 -14.891 778 HD2 PHE 105 HD2 PHE 105 -26.276 39.256 -17.743 779 HE1 PHE 105 HE1 PHE 105 -22.200 36.651 -16.647 780 HE2 PHE 105 HE2 PHE 105 -24.554 38.870 -19.479 781 HZ PHE 105 HZ PHE 105 -22.535 37.546 -18.945 782 H ALA 106 H ALA 106 -29.335 38.991 -15.482 783 HA ALA 106 HA ALA 106 -30.326 37.487 -17.836 784 1HB ALA 106 HB1 ALA 106 -31.746 39.375 -15.892 785 2HB ALA 106 HB2 ALA 106 -32.516 38.491 -17.237 786 3HB ALA 106 HB3 ALA 106 -31.790 37.598 -15.877 787 H LYS 107 H LYS 107 -28.190 39.058 -18.382 788 HA LYS 107 HA LYS 107 -27.254 40.768 -19.539 789 1HB LYS 107 HB2 LYS 107 -29.878 40.815 -21.075 790 2HB LYS 107 HB3 LYS 107 -28.343 41.504 -21.580 791 1HG LYS 107 HG2 LYS 107 -27.343 39.202 -21.463 792 2HG LYS 107 HG3 LYS 107 -28.975 38.574 -21.243 793 1HD LYS 107 HD2 LYS 107 -27.865 40.163 -23.601 794 2HD LYS 107 HD3 LYS 107 -28.282 38.424 -23.600 795 1HE LYS 107 HE2 LYS 107 -30.259 40.717 -23.306 796 2HE LYS 107 HE3 LYS 107 -29.926 39.834 -24.777 797 1HZ LYS 107 HZ1 LYS 107 -31.076 38.659 -22.297 798 2HZ LYS 107 HZ2 LYS 107 -31.905 38.964 -23.651 799 3HZ LYS 107 HZ3 LYS 107 -30.737 37.815 -23.662 Start of MODEL 15 1 1H GLY 1 H1 GLY 1 -5.483 2.094 6.782 2 2H GLY 1 H2 GLY 1 -3.887 1.715 6.732 3 3H GLY 1 H3 GLY 1 -4.384 3.236 6.379 4 1HA GLY 1 HA2 GLY 1 -5.027 0.823 4.810 5 2HA GLY 1 HA3 GLY 1 -5.463 2.492 4.362 6 H LYS 2 H LYS 2 -3.918 0.614 2.822 7 HA LYS 2 HA LYS 2 -1.169 1.812 2.734 8 1HB LYS 2 HB2 LYS 2 -0.382 -0.216 1.779 9 2HB LYS 2 HB3 LYS 2 -1.383 -0.672 3.181 10 1HG LYS 2 HG2 LYS 2 -3.280 -1.175 1.561 11 2HG LYS 2 HG3 LYS 2 -2.170 -0.842 0.222 12 1HD LYS 2 HD2 LYS 2 -0.648 -2.608 1.046 13 2HD LYS 2 HD3 LYS 2 -1.814 -2.972 2.370 14 1HE LYS 2 HE2 LYS 2 -3.555 -3.460 0.653 15 2HE LYS 2 HE3 LYS 2 -2.386 -3.162 -0.631 16 1HZ LYS 2 HZ1 LYS 2 -2.120 -5.275 1.404 17 2HZ LYS 2 HZ2 LYS 2 -2.563 -5.498 -0.154 18 3HZ LYS 2 HZ3 LYS 2 -1.049 -4.989 0.187 19 H ASP 3 H ASP 3 -0.205 2.083 0.631 20 HA ASP 3 HA ASP 3 -2.055 3.420 -1.237 21 1HB ASP 3 HB2 ASP 3 -0.042 4.554 -0.575 22 2HB ASP 3 HB3 ASP 3 0.971 3.217 -1.086 23 H ILE 4 H ILE 4 0.298 0.802 -1.348 24 HA ILE 4 HA ILE 4 -1.178 -0.732 -3.366 25 HB ILE 4 HB ILE 4 1.690 0.164 -3.861 26 1HG1 ILE 4 2HG1 ILE 4 0.024 1.692 -4.827 27 2HG1 ILE 4 3HG1 ILE 4 0.998 0.864 -6.019 28 1HG2 ILE 4 1HG2 ILE 4 0.181 -2.167 -5.088 29 2HG2 ILE 4 2HG2 ILE 4 1.622 -1.402 -5.842 30 3HG2 ILE 4 3HG2 ILE 4 1.766 -2.181 -4.292 31 1HD1 ILE 4 1HD1 ILE 4 -1.378 1.056 -6.730 32 2HD1 ILE 4 2HD1 ILE 4 -0.917 -0.658 -6.535 33 3HD1 ILE 4 3HD1 ILE 4 -1.876 0.161 -5.293 34 H GLN 5 H GLN 5 1.966 -0.646 -1.700 35 HA GLN 5 HA GLN 5 1.340 -2.907 0.040 36 1HB GLN 5 HB2 GLN 5 2.310 -3.687 -2.315 37 2HB GLN 5 HB3 GLN 5 3.842 -3.094 -1.683 38 1HG GLN 5 HG2 GLN 5 3.818 -5.416 -1.247 39 2HG GLN 5 HG3 GLN 5 3.435 -4.713 0.329 40 1HE2 GLN 5 1HE2 GLN 5 0.965 -7.471 -0.991 41 2HE2 GLN 5 2HE2 GLN 5 2.616 -7.278 -1.571 42 H VAL 6 H VAL 6 1.827 -0.157 0.375 43 HA VAL 6 HA VAL 6 3.879 -0.092 2.472 44 HB VAL 6 HB VAL 6 4.005 1.980 0.236 45 1HG1 VAL 6 1HG1 VAL 6 5.837 1.380 2.584 46 2HG1 VAL 6 2HG1 VAL 6 6.164 2.598 1.307 47 3HG1 VAL 6 3HG1 VAL 6 4.806 2.815 2.418 48 1HG2 VAL 6 1HG2 VAL 6 6.220 1.058 -0.385 49 2HG2 VAL 6 2HG2 VAL 6 5.931 -0.323 0.712 50 3HG2 VAL 6 3HG2 VAL 6 4.904 -0.081 -0.723 51 H ILE 7 H ILE 7 3.399 1.594 3.949 52 HA ILE 7 HA ILE 7 0.618 2.617 3.862 53 HB ILE 7 HB ILE 7 2.700 2.967 6.042 54 1HG1 ILE 7 2HG1 ILE 7 2.474 0.593 5.760 55 2HG1 ILE 7 3HG1 ILE 7 1.596 1.088 7.195 56 1HG2 ILE 7 1HG2 ILE 7 -0.366 3.191 6.040 57 2HG2 ILE 7 2HG2 ILE 7 0.664 3.267 7.485 58 3HG2 ILE 7 3HG2 ILE 7 0.786 4.515 6.230 59 1HD1 ILE 7 1HD1 ILE 7 -0.543 0.867 5.917 60 2HD1 ILE 7 2HD1 ILE 7 0.377 0.377 4.503 61 3HD1 ILE 7 3HD1 ILE 7 0.358 -0.626 5.977 62 H VAL 8 H VAL 8 0.444 4.236 2.405 63 HA VAL 8 HA VAL 8 1.746 6.793 2.965 64 HB VAL 8 HB VAL 8 1.811 5.870 0.064 65 1HG1 VAL 8 1HG1 VAL 8 3.269 8.011 1.693 66 2HG1 VAL 8 2HG1 VAL 8 3.405 7.761 -0.080 67 3HG1 VAL 8 3HG1 VAL 8 1.881 8.317 0.670 68 1HG2 VAL 8 1HG2 VAL 8 4.225 5.521 0.277 69 2HG2 VAL 8 2HG2 VAL 8 4.083 5.598 2.057 70 3HG2 VAL 8 3HG2 VAL 8 3.296 4.282 1.143 71 H ASN 9 H ASN 9 -0.547 6.365 3.732 72 HA ASN 9 HA ASN 9 -2.659 6.937 1.739 73 1HB ASN 9 HB2 ASN 9 -4.216 6.727 3.593 74 2HB ASN 9 HB3 ASN 9 -3.208 5.314 3.443 75 1HD2 ASN 9 1HD2 ASN 9 -2.081 4.598 5.232 76 2HD2 ASN 9 2HD2 ASN 9 -1.961 5.552 6.711 77 H VAL 10 H VAL 10 -3.663 8.710 1.445 78 HA VAL 10 HA VAL 10 -2.643 11.228 2.683 79 HB VAL 10 HB VAL 10 -3.240 10.649 -0.254 80 1HG1 VAL 10 1HG1 VAL 10 -2.432 13.248 1.096 81 2HG1 VAL 10 2HG1 VAL 10 -2.332 12.951 -0.661 82 3HG1 VAL 10 3HG1 VAL 10 -3.894 12.901 0.166 83 1HG2 VAL 10 1HG2 VAL 10 -0.845 11.086 -0.586 84 2HG2 VAL 10 2HG2 VAL 10 -0.633 11.288 1.165 85 3HG2 VAL 10 3HG2 VAL 10 -1.076 9.724 0.472 86 HA PRO 11 HA PRO 11 -7.092 11.822 3.488 87 1HB PRO 11 HB2 PRO 11 -5.977 14.578 4.120 88 2HB PRO 11 HB3 PRO 11 -7.195 13.636 5.019 89 1HG PRO 11 HG2 PRO 11 -4.621 13.733 5.860 90 2HG PRO 11 HG3 PRO 11 -5.538 12.165 5.875 91 1HD PRO 11 HD2 PRO 11 -3.540 13.219 3.848 92 2HD PRO 11 HD3 PRO 11 -3.618 11.589 4.588 93 HA PRO 12 HA PRO 12 -8.407 13.931 -0.206 94 1HB PRO 12 HB2 PRO 12 -10.564 15.380 1.267 95 2HB PRO 12 HB3 PRO 12 -10.692 14.231 -0.089 96 1HG PRO 12 HG2 PRO 12 -11.412 13.532 2.440 97 2HG PRO 12 HG3 PRO 12 -10.600 12.369 1.338 98 1HD PRO 12 HD2 PRO 12 -9.330 14.072 3.513 99 2HD PRO 12 HD3 PRO 12 -9.129 12.339 3.207 100 H SER 13 H SER 13 -8.044 15.811 -1.270 101 HA SER 13 HA SER 13 -7.292 18.296 0.291 102 1HB SER 13 HB2 SER 13 -5.911 17.142 -2.156 103 2HB SER 13 HB3 SER 13 -5.498 18.654 -1.351 104 HG SER 13 HG SER 13 -5.434 16.094 -0.162 105 H VAL 14 H VAL 14 -9.893 18.109 -0.483 106 HA VAL 14 HA VAL 14 -10.302 19.174 -3.127 107 HB VAL 14 HB VAL 14 -12.052 17.958 -1.891 108 1HG1 VAL 14 1HG1 VAL 14 -11.921 19.284 0.287 109 2HG1 VAL 14 2HG1 VAL 14 -12.755 20.611 -0.524 110 3HG1 VAL 14 3HG1 VAL 14 -13.563 19.045 -0.355 111 1HG2 VAL 14 1HG2 VAL 14 -13.890 19.235 -2.873 112 2HG2 VAL 14 2HG2 VAL 14 -12.914 20.720 -2.899 113 3HG2 VAL 14 3HG2 VAL 14 -12.482 19.357 -3.927 114 H ARG 15 H ARG 15 -10.379 21.100 -3.903 115 HA ARG 15 HA ARG 15 -10.447 23.548 -2.193 116 1HB ARG 15 HB2 ARG 15 -8.471 22.893 -4.440 117 2HB ARG 15 HB3 ARG 15 -8.821 24.559 -3.935 118 1HG ARG 15 HG2 ARG 15 -8.154 24.054 -1.623 119 2HG ARG 15 HG3 ARG 15 -7.806 22.365 -2.079 120 1HD ARG 15 HD2 ARG 15 -6.093 23.256 -3.678 121 2HD ARG 15 HD3 ARG 15 -6.434 24.891 -3.098 122 HE ARG 15 HE ARG 15 -5.802 22.936 -0.989 123 1HH1 ARG 15 1HH1 ARG 15 -4.294 25.183 -3.185 124 2HH1 ARG 15 2HH1 ARG 15 -2.872 25.378 -2.178 125 1HH2 ARG 15 1HH2 ARG 15 -4.025 23.291 0.312 126 2HH2 ARG 15 2HH2 ARG 15 -2.712 24.305 -0.269 127 H ALA 16 H ALA 16 -10.861 25.461 -3.701 128 HA ALA 16 HA ALA 16 -13.087 24.771 -5.582 129 1HB ALA 16 HB1 ALA 16 -12.414 27.460 -4.294 130 2HB ALA 16 HB2 ALA 16 -13.808 27.059 -5.318 131 3HB ALA 16 HB3 ALA 16 -13.637 26.289 -3.730 132 H ARG 17 H ARG 17 -12.595 24.750 -7.681 133 HA ARG 17 HA ARG 17 -9.962 25.480 -8.612 134 1HB ARG 17 HB2 ARG 17 -11.483 23.590 -9.423 135 2HB ARG 17 HB3 ARG 17 -12.335 24.853 -10.366 136 1HG ARG 17 HG2 ARG 17 -10.164 25.421 -11.462 137 2HG ARG 17 HG3 ARG 17 -9.409 24.081 -10.621 138 1HD ARG 17 HD2 ARG 17 -11.710 23.865 -12.587 139 2HD ARG 17 HD3 ARG 17 -10.036 23.589 -12.975 140 HE ARG 17 HE ARG 17 -11.802 21.788 -11.463 141 1HH1 ARG 17 1HH1 ARG 17 -8.480 22.340 -12.461 142 2HH1 ARG 17 2HH1 ARG 17 -8.092 20.645 -12.359 143 1HH2 ARG 17 1HH2 ARG 17 -11.227 19.650 -11.392 144 2HH2 ARG 17 2HH2 ARG 17 -9.592 19.182 -11.740 145 H GLN 18 H GLN 18 -12.999 27.114 -8.629 146 HA GLN 18 HA GLN 18 -11.726 29.631 -9.659 147 1HB GLN 18 HB2 GLN 18 -14.643 28.870 -10.054 148 2HB GLN 18 HB3 GLN 18 -13.806 30.339 -10.586 149 1HG GLN 18 HG2 GLN 18 -13.816 29.163 -12.573 150 2HG GLN 18 HG3 GLN 18 -12.251 28.725 -11.931 151 1HE2 GLN 18 1HE2 GLN 18 -13.410 25.460 -12.946 152 2HE2 GLN 18 2HE2 GLN 18 -12.469 26.844 -13.474 153 H SER 19 H SER 19 -13.173 31.580 -8.766 154 HA SER 19 HA SER 19 -13.860 31.017 -5.916 155 1HB SER 19 HB2 SER 19 -13.486 33.446 -5.583 156 2HB SER 19 HB3 SER 19 -12.058 32.582 -6.151 157 HG SER 19 HG SER 19 -12.411 34.571 -7.293 158 H THR 20 H THR 20 -14.893 33.285 -8.471 159 HA THR 20 HA THR 20 -17.789 32.691 -7.922 160 HB THR 20 HB THR 20 -16.580 35.463 -8.171 161 HG1 THR 20 HG1 THR 20 -16.268 34.644 -6.140 162 1HG2 THR 20 1HG2 THR 20 -18.919 36.204 -7.590 163 2HG2 THR 20 2HG2 THR 20 -18.806 35.472 -9.170 164 3HG2 THR 20 3HG2 THR 20 -19.457 34.522 -7.837 165 H MET 21 H MET 21 -18.629 31.998 -9.663 166 HA MET 21 HA MET 21 -17.640 32.691 -12.376 167 1HB MET 21 HB2 MET 21 -19.571 30.626 -11.247 168 2HB MET 21 HB3 MET 21 -19.296 30.820 -12.983 169 1HG MET 21 HG2 MET 21 -17.119 30.189 -10.963 170 2HG MET 21 HG3 MET 21 -17.960 28.996 -11.944 171 1HE MET 21 HE1 MET 21 -18.117 30.448 -14.925 172 2HE MET 21 HE2 MET 21 -16.713 29.552 -15.550 173 3HE MET 21 HE3 MET 21 -17.863 28.760 -14.450 174 H ASN 22 H ASN 22 -19.263 33.063 -14.062 175 HA ASN 22 HA ASN 22 -21.751 34.453 -13.282 176 1HB ASN 22 HB2 ASN 22 -19.545 35.533 -15.088 177 2HB ASN 22 HB3 ASN 22 -21.178 36.185 -15.047 178 1HD2 ASN 22 1HD2 ASN 22 -18.602 37.360 -12.201 179 2HD2 ASN 22 2HD2 ASN 22 -18.083 36.293 -13.501 180 H ALA 23 H ALA 23 -23.374 34.453 -15.022 181 HA ALA 23 HA ALA 23 -22.761 33.108 -17.548 182 1HB ALA 23 HB1 ALA 23 -24.399 31.287 -17.226 183 2HB ALA 23 HB2 ALA 23 -23.072 31.132 -16.065 184 3HB ALA 23 HB3 ALA 23 -24.622 31.787 -15.526 185 H THR 24 H THR 24 -24.381 33.302 -19.086 186 HA THR 24 HA THR 24 -26.436 35.368 -18.591 187 HB THR 24 HB THR 24 -25.500 34.297 -21.279 188 HG1 THR 24 HG1 THR 24 -24.152 36.070 -21.366 189 1HG2 THR 24 1HG2 THR 24 -26.375 36.456 -22.084 190 2HG2 THR 24 2HG2 THR 24 -27.651 35.555 -21.276 191 3HG2 THR 24 3HG2 THR 24 -26.849 36.915 -20.430 192 H ALA 25 H ALA 25 -28.364 34.562 -18.114 193 HA ALA 25 HA ALA 25 -29.136 31.827 -18.466 194 1HB ALA 25 HB1 ALA 25 -30.621 34.370 -17.690 195 2HB ALA 25 HB2 ALA 25 -31.397 32.784 -17.714 196 3HB ALA 25 HB3 ALA 25 -30.027 33.066 -16.616 197 H ASN 26 H ASN 26 -30.716 30.840 -19.622 198 HA ASN 26 HA ASN 26 -32.217 30.358 -21.163 199 1HB ASN 26 HB2 ASN 26 -33.300 32.412 -20.104 200 2HB ASN 26 HB3 ASN 26 -32.730 33.338 -21.492 201 1HD2 ASN 26 1HD2 ASN 26 -35.997 32.695 -22.660 202 2HD2 ASN 26 2HD2 ASN 26 -34.960 33.861 -21.847 203 H LEU 27 H LEU 27 -29.363 30.983 -22.015 204 HA LEU 27 HA LEU 27 -29.801 31.437 -24.923 205 1HB LEU 27 HB2 LEU 27 -27.191 31.218 -23.384 206 2HB LEU 27 HB3 LEU 27 -27.369 31.571 -25.089 207 HG LEU 27 HG LEU 27 -28.176 33.343 -22.779 208 1HD1 LEU 27 1HD1 LEU 27 -25.790 33.267 -23.319 209 2HD1 LEU 27 2HD1 LEU 27 -26.136 33.686 -25.008 210 3HD1 LEU 27 3HD1 LEU 27 -26.482 34.857 -23.742 211 1HD2 LEU 27 1HD2 LEU 27 -28.785 35.047 -24.470 212 2HD2 LEU 27 2HD2 LEU 27 -28.575 33.847 -25.744 213 3HD2 LEU 27 3HD2 LEU 27 -29.858 33.667 -24.542 214 H SER 28 H SER 28 -29.884 28.791 -22.921 215 HA SER 28 HA SER 28 -29.850 26.564 -23.234 216 1HB SER 28 HB2 SER 28 -29.795 27.140 -26.199 217 2HB SER 28 HB3 SER 28 -30.338 25.639 -25.390 218 HG SER 28 HG SER 28 -32.071 27.159 -25.987 219 H GLN 29 H GLN 29 -27.215 27.977 -23.103 220 HA GLN 29 HA GLN 29 -25.356 26.239 -24.577 221 1HB GLN 29 HB2 GLN 29 -23.735 27.790 -24.189 222 2HB GLN 29 HB3 GLN 29 -25.157 28.793 -24.430 223 1HG GLN 29 HG2 GLN 29 -23.915 28.152 -21.696 224 2HG GLN 29 HG3 GLN 29 -23.577 29.549 -22.684 225 1HE2 GLN 29 1HE2 GLN 29 -24.276 31.115 -21.226 226 2HE2 GLN 29 2HE2 GLN 29 -25.986 31.298 -20.838 227 H SER 30 H SER 30 -23.225 25.772 -23.182 228 HA SER 30 HA SER 30 -24.016 24.524 -20.591 229 1HB SER 30 HB2 SER 30 -21.885 23.588 -22.535 230 2HB SER 30 HB3 SER 30 -22.240 22.863 -20.957 231 HG SER 30 HG SER 30 -23.975 23.007 -23.212 232 H VAL 31 H VAL 31 -22.930 25.050 -18.859 233 HA VAL 31 HA VAL 31 -20.448 26.762 -19.071 234 HB VAL 31 HB VAL 31 -22.656 26.980 -16.994 235 1HG1 VAL 31 1HG1 VAL 31 -21.529 29.071 -16.314 236 2HG1 VAL 31 2HG1 VAL 31 -20.475 27.663 -16.115 237 3HG1 VAL 31 3HG1 VAL 31 -20.234 28.751 -17.489 238 1HG2 VAL 31 1HG2 VAL 31 -23.466 27.813 -19.178 239 2HG2 VAL 31 2HG2 VAL 31 -23.187 29.163 -18.051 240 3HG2 VAL 31 3HG2 VAL 31 -21.995 28.824 -19.326 241 H THR 32 H THR 32 -18.696 26.039 -18.015 242 HA THR 32 HA THR 32 -18.979 23.705 -16.171 243 HB THR 32 HB THR 32 -16.452 24.735 -17.537 244 HG1 THR 32 HG1 THR 32 -16.808 23.144 -19.058 245 1HG2 THR 32 1HG2 THR 32 -17.167 22.107 -16.162 246 2HG2 THR 32 2HG2 THR 32 -15.715 22.335 -17.198 247 3HG2 THR 32 3HG2 THR 32 -15.909 23.252 -15.709 248 H LEU 33 H LEU 33 -18.108 23.682 -14.168 249 HA LEU 33 HA LEU 33 -16.204 25.575 -13.161 250 1HB LEU 33 HB2 LEU 33 -17.671 26.336 -11.250 251 2HB LEU 33 HB3 LEU 33 -17.964 26.997 -12.863 252 HG LEU 33 HG LEU 33 -19.923 25.516 -13.125 253 1HD1 LEU 33 1HD1 LEU 33 -19.309 24.715 -10.265 254 2HD1 LEU 33 2HD1 LEU 33 -20.911 24.511 -11.003 255 3HD1 LEU 33 3HD1 LEU 33 -19.526 23.664 -11.700 256 1HD2 LEU 33 1HD2 LEU 33 -20.010 27.257 -10.623 257 2HD2 LEU 33 2HD2 LEU 33 -20.110 27.830 -12.295 258 3HD2 LEU 33 3HD2 LEU 33 -21.374 26.779 -11.654 259 H ALA 34 H ALA 34 -15.620 24.970 -10.769 260 HA ALA 34 HA ALA 34 -16.217 22.132 -10.233 261 1HB ALA 34 HB1 ALA 34 -14.611 22.234 -12.152 262 2HB ALA 34 HB2 ALA 34 -13.481 23.100 -11.123 263 3HB ALA 34 HB3 ALA 34 -13.890 21.434 -10.722 264 H CYS 35 H CYS 35 -15.419 21.170 -8.466 265 HA CYS 35 HA CYS 35 -13.754 22.715 -6.520 266 1HB CYS 35 HB2 CYS 35 -16.111 20.866 -6.054 267 2HB CYS 35 HB3 CYS 35 -14.771 20.953 -4.909 268 H ASP 36 H ASP 36 -11.728 21.967 -6.995 269 HA ASP 36 HA ASP 36 -11.250 19.382 -8.195 270 1HB ASP 36 HB2 ASP 36 -8.964 20.066 -8.356 271 2HB ASP 36 HB3 ASP 36 -10.070 21.262 -8.996 272 H ALA 37 H ALA 37 -12.103 18.004 -6.596 273 HA ALA 37 HA ALA 37 -10.552 17.495 -4.176 274 1HB ALA 37 HB1 ALA 37 -12.772 15.842 -5.480 275 2HB ALA 37 HB2 ALA 37 -12.136 15.627 -3.829 276 3HB ALA 37 HB3 ALA 37 -13.044 17.082 -4.269 277 H ASP 38 H ASP 38 -9.182 15.844 -3.768 278 HA ASP 38 HA ASP 38 -8.603 13.616 -5.590 279 1HB ASP 38 HB2 ASP 38 -7.381 15.512 -6.639 280 2HB ASP 38 HB3 ASP 38 -6.602 15.858 -5.103 281 H GLY 39 H GLY 39 -6.830 12.245 -4.529 282 1HA GLY 39 HA2 GLY 39 -5.766 12.450 -1.975 283 2HA GLY 39 HA3 GLY 39 -7.380 11.821 -1.717 284 H PHE 40 H PHE 40 -5.383 10.209 -0.908 285 HA PHE 40 HA PHE 40 -5.440 7.990 -2.897 286 1HB PHE 40 HB2 PHE 40 -2.928 8.733 -1.418 287 2HB PHE 40 HB3 PHE 40 -3.189 7.372 -2.446 288 HD1 PHE 40 HD1 PHE 40 -2.613 11.015 -2.430 289 HD2 PHE 40 HD2 PHE 40 -3.437 7.571 -4.883 290 HE1 PHE 40 HE1 PHE 40 -1.949 12.290 -4.460 291 HE2 PHE 40 HE2 PHE 40 -2.832 8.860 -6.900 292 HZ PHE 40 HZ PHE 40 -2.110 11.243 -6.714 293 HA PRO 41 HA PRO 41 -6.420 6.069 -2.943 294 1HB PRO 41 HB2 PRO 41 -8.800 4.921 -2.328 295 2HB PRO 41 HB3 PRO 41 -7.203 4.137 -2.023 296 1HG PRO 41 HG2 PRO 41 -8.901 5.743 -0.084 297 2HG PRO 41 HG3 PRO 41 -8.191 4.111 0.158 298 1HD PRO 41 HD2 PRO 41 -6.900 6.307 1.109 299 2HD PRO 41 HD3 PRO 41 -5.979 4.977 0.349 300 H GLU 42 H GLU 42 -8.091 6.710 -4.379 301 HA GLU 42 HA GLU 42 -8.848 9.331 -4.546 302 1HB GLU 42 HB2 GLU 42 -10.472 8.648 -6.242 303 2HB GLU 42 HB3 GLU 42 -8.936 7.794 -6.419 304 1HG GLU 42 HG2 GLU 42 -10.059 5.814 -5.204 305 2HG GLU 42 HG3 GLU 42 -11.567 6.720 -5.357 306 HA PRO 43 HA PRO 43 -11.901 9.748 -1.422 307 1HB PRO 43 HB2 PRO 43 -12.537 12.378 -1.682 308 2HB PRO 43 HB3 PRO 43 -10.862 11.888 -1.275 309 1HG PRO 43 HG2 PRO 43 -12.058 12.542 -3.998 310 2HG PRO 43 HG3 PRO 43 -10.574 13.248 -3.271 311 1HD PRO 43 HD2 PRO 43 -10.478 11.096 -4.992 312 2HD PRO 43 HD3 PRO 43 -9.364 11.231 -3.610 313 H THR 44 H THR 44 -14.018 10.336 -0.890 314 HA THR 44 HA THR 44 -16.058 10.047 -3.080 315 HB THR 44 HB THR 44 -16.328 9.638 -0.062 316 HG1 THR 44 HG1 THR 44 -15.182 8.008 -1.146 317 1HG2 THR 44 1HG2 THR 44 -18.550 8.664 -0.628 318 2HG2 THR 44 2HG2 THR 44 -18.464 10.376 -1.065 319 3HG2 THR 44 3HG2 THR 44 -18.333 9.106 -2.313 320 H MET 45 H MET 45 -17.239 11.943 -3.497 321 HA MET 45 HA MET 45 -17.189 14.100 -1.460 322 1HB MET 45 HB2 MET 45 -16.173 15.689 -2.919 323 2HB MET 45 HB3 MET 45 -15.148 14.266 -2.879 324 1HG MET 45 HG2 MET 45 -15.088 14.714 -5.100 325 2HG MET 45 HG3 MET 45 -16.425 13.556 -5.065 326 1HE MET 45 HE1 MET 45 -16.650 18.103 -5.893 327 2HE MET 45 HE2 MET 45 -16.082 17.467 -4.326 328 3HE MET 45 HE3 MET 45 -15.185 17.111 -5.832 329 H THR 46 H THR 46 -18.609 15.791 -1.726 330 HA THR 46 HA THR 46 -20.705 15.734 -3.789 331 HB THR 46 HB THR 46 -22.525 15.820 -2.017 332 HG1 THR 46 HG1 THR 46 -20.545 14.673 -0.362 333 1HG2 THR 46 1HG2 THR 46 -21.120 13.142 -1.979 334 2HG2 THR 46 2HG2 THR 46 -22.835 13.453 -1.728 335 3HG2 THR 46 3HG2 THR 46 -22.114 13.750 -3.344 336 H TRP 47 H TRP 47 -22.268 17.579 -3.407 337 HA TRP 47 HA TRP 47 -21.305 19.789 -1.798 338 1HB TRP 47 HB2 TRP 47 -20.960 21.303 -3.799 339 2HB TRP 47 HB3 TRP 47 -19.723 20.162 -3.322 340 HD1 TRP 47 HD1 TRP 47 -19.420 17.905 -4.793 341 HE1 TRP 47 HE1 TRP 47 -18.745 18.035 -7.237 342 HE3 TRP 47 HE3 TRP 47 -21.589 22.409 -5.989 343 HZ2 TRP 47 HZ2 TRP 47 -18.716 20.058 -9.304 344 HZ3 TRP 47 HZ3 TRP 47 -21.205 23.395 -8.216 345 HH2 TRP 47 HH2 TRP 47 -19.765 22.248 -9.872 346 H THR 48 H THR 48 -22.488 21.811 -2.106 347 HA THR 48 HA THR 48 -25.385 21.140 -2.446 348 HB THR 48 HB THR 48 -25.917 22.451 -0.468 349 HG1 THR 48 HG1 THR 48 -23.113 22.655 -0.113 350 1HG2 THR 48 1HG2 THR 48 -25.450 20.064 -0.154 351 2HG2 THR 48 2HG2 THR 48 -23.754 20.455 0.232 352 3HG2 THR 48 3HG2 THR 48 -25.072 21.036 1.265 353 H LYS 49 H LYS 49 -26.860 22.831 -2.762 354 HA LYS 49 HA LYS 49 -25.842 25.142 -4.340 355 1HB LYS 49 HB2 LYS 49 -27.444 23.402 -5.317 356 2HB LYS 49 HB3 LYS 49 -28.665 24.013 -4.195 357 1HG LYS 49 HG2 LYS 49 -28.365 26.275 -5.227 358 2HG LYS 49 HG3 LYS 49 -27.198 25.549 -6.356 359 1HD LYS 49 HD2 LYS 49 -28.919 24.089 -7.290 360 2HD LYS 49 HD3 LYS 49 -30.092 24.676 -6.098 361 1HE LYS 49 HE2 LYS 49 -29.859 26.990 -7.019 362 2HE LYS 49 HE3 LYS 49 -28.682 26.382 -8.202 363 1HZ LYS 49 HZ1 LYS 49 -30.414 24.999 -9.168 364 2HZ LYS 49 HZ2 LYS 49 -31.502 25.459 -8.027 365 3HZ LYS 49 HZ3 LYS 49 -30.954 26.547 -9.107 366 H ASP 50 H ASP 50 -25.222 26.047 -2.175 367 HA ASP 50 HA ASP 50 -25.388 27.403 -0.426 368 1HB ASP 50 HB2 ASP 50 -26.614 28.858 -2.053 369 2HB ASP 50 HB3 ASP 50 -28.143 28.212 -1.435 370 H GLY 51 H GLY 51 -27.266 24.677 -0.573 371 1HA GLY 51 HA2 GLY 51 -27.171 24.146 2.166 372 2HA GLY 51 HA3 GLY 51 -28.779 24.783 1.890 373 H GLU 52 H GLU 52 -29.237 23.609 -0.734 374 HA GLU 52 HA GLU 52 -29.915 20.889 0.106 375 1HB GLU 52 HB2 GLU 52 -31.363 20.837 -1.794 376 2HB GLU 52 HB3 GLU 52 -31.636 22.273 -0.855 377 1HG GLU 52 HG2 GLU 52 -30.282 23.594 -2.474 378 2HG GLU 52 HG3 GLU 52 -30.083 22.146 -3.465 379 HA PRO 53 HA PRO 53 -26.608 19.007 -1.970 380 1HB PRO 53 HB2 PRO 53 -27.379 16.445 -2.435 381 2HB PRO 53 HB3 PRO 53 -27.148 17.159 -0.801 382 1HG PRO 53 HG2 PRO 53 -29.749 16.823 -2.327 383 2HG PRO 53 HG3 PRO 53 -29.397 16.367 -0.637 384 1HD PRO 53 HD2 PRO 53 -30.607 18.727 -1.245 385 2HD PRO 53 HD3 PRO 53 -29.451 18.634 0.090 386 H ILE 54 H ILE 54 -25.622 18.729 -3.841 387 HA ILE 54 HA ILE 54 -27.090 18.389 -6.432 388 HB ILE 54 HB ILE 54 -24.317 19.595 -6.045 389 1HG1 ILE 54 2HG1 ILE 54 -26.733 21.342 -6.542 390 2HG1 ILE 54 3HG1 ILE 54 -26.239 21.030 -4.893 391 1HG2 ILE 54 1HG2 ILE 54 -26.347 19.918 -8.330 392 2HG2 ILE 54 2HG2 ILE 54 -24.700 20.569 -8.314 393 3HG2 ILE 54 3HG2 ILE 54 -24.922 18.833 -8.390 394 1HD1 ILE 54 1HD1 ILE 54 -24.041 21.892 -5.228 395 2HD1 ILE 54 2HD1 ILE 54 -24.317 22.173 -6.944 396 3HD1 ILE 54 3HD1 ILE 54 -25.227 23.111 -5.747 397 H GLU 55 H GLU 55 -26.660 16.172 -4.847 398 HA GLU 55 HA GLU 55 -24.147 14.923 -5.380 399 1HB GLU 55 HB2 GLU 55 -25.096 12.911 -4.407 400 2HB GLU 55 HB3 GLU 55 -25.272 14.345 -3.405 401 1HG GLU 55 HG2 GLU 55 -27.678 14.520 -4.038 402 2HG GLU 55 HG3 GLU 55 -27.505 13.068 -5.035 403 H GLN 56 H GLN 56 -23.430 13.839 -6.948 404 HA GLN 56 HA GLN 56 -24.512 13.969 -9.519 405 1HB GLN 56 HB2 GLN 56 -22.074 12.650 -8.332 406 2HB GLN 56 HB3 GLN 56 -22.352 12.707 -10.060 407 1HG GLN 56 HG2 GLN 56 -22.384 15.124 -10.094 408 2HG GLN 56 HG3 GLN 56 -22.279 15.213 -8.343 409 1HE2 GLN 56 1HE2 GLN 56 -18.855 15.922 -9.138 410 2HE2 GLN 56 2HE2 GLN 56 -20.427 16.702 -9.064 411 H GLU 57 H GLU 57 -25.576 11.737 -7.407 412 HA GLU 57 HA GLU 57 -25.855 9.508 -9.371 413 1HB GLU 57 HB2 GLU 57 -26.173 9.548 -6.347 414 2HB GLU 57 HB3 GLU 57 -26.440 8.147 -7.391 415 1HG GLU 57 HG2 GLU 57 -24.054 8.289 -8.176 416 2HG GLU 57 HG3 GLU 57 -23.795 9.618 -7.031 417 H ASP 58 H ASP 58 -27.623 12.178 -8.301 418 HA ASP 58 HA ASP 58 -30.181 10.940 -9.176 419 1HB ASP 58 HB2 ASP 58 -29.920 10.465 -6.730 420 2HB ASP 58 HB3 ASP 58 -29.885 12.192 -6.404 421 H ASN 59 H ASN 59 -28.230 13.801 -8.914 422 HA ASN 59 HA ASN 59 -30.515 15.583 -9.494 423 1HB ASN 59 HB2 ASN 59 -27.798 16.207 -8.315 424 2HB ASN 59 HB3 ASN 59 -29.018 17.403 -8.722 425 1HD2 ASN 59 1HD2 ASN 59 -29.453 15.162 -5.391 426 2HD2 ASN 59 2HD2 ASN 59 -28.148 14.804 -6.540 427 H GLU 60 H GLU 60 -28.881 13.848 -11.397 428 HA GLU 60 HA GLU 60 -27.254 15.456 -13.089 429 1HB GLU 60 HB2 GLU 60 -27.315 12.911 -12.539 430 2HB GLU 60 HB3 GLU 60 -28.555 12.810 -13.785 431 1HG GLU 60 HG2 GLU 60 -26.865 13.783 -15.417 432 2HG GLU 60 HG3 GLU 60 -25.660 13.754 -14.140 433 H GLU 61 H GLU 61 -30.315 16.035 -12.832 434 HA GLU 61 HA GLU 61 -31.690 15.713 -15.215 435 1HB GLU 61 HB2 GLU 61 -31.833 18.058 -13.283 436 2HB GLU 61 HB3 GLU 61 -33.036 17.726 -14.527 437 1HG GLU 61 HG2 GLU 61 -33.378 15.437 -13.476 438 2HG GLU 61 HG3 GLU 61 -32.329 15.942 -12.176 439 H LYS 62 H LYS 62 -29.135 18.051 -14.763 440 HA LYS 62 HA LYS 62 -29.046 18.396 -17.634 441 1HB LYS 62 HB2 LYS 62 -29.301 20.717 -17.897 442 2HB LYS 62 HB3 LYS 62 -30.717 20.102 -17.086 443 1HG LYS 62 HG2 LYS 62 -29.670 20.980 -14.867 444 2HG LYS 62 HG3 LYS 62 -28.509 21.846 -15.915 445 1HD LYS 62 HD2 LYS 62 -30.591 22.746 -17.172 446 2HD LYS 62 HD3 LYS 62 -31.507 22.202 -15.752 447 1HE LYS 62 HE2 LYS 62 -30.116 23.612 -14.311 448 2HE LYS 62 HE3 LYS 62 -29.073 24.022 -15.680 449 1HZ LYS 62 HZ1 LYS 62 -30.644 25.776 -15.227 450 2HZ LYS 62 HZ2 LYS 62 -30.924 25.132 -16.723 451 3HZ LYS 62 HZ3 LYS 62 -31.926 24.777 -15.468 452 H TYR 63 H TYR 63 -27.176 17.112 -16.185 453 HA TYR 63 HA TYR 63 -24.909 18.703 -16.973 454 1HB TYR 63 HB2 TYR 63 -23.689 18.686 -14.814 455 2HB TYR 63 HB3 TYR 63 -25.185 19.595 -14.777 456 HD1 TYR 63 HD1 TYR 63 -24.188 15.993 -14.097 457 HD2 TYR 63 HD2 TYR 63 -26.102 19.607 -12.689 458 HE1 TYR 63 HE1 TYR 63 -24.572 14.941 -11.875 459 HE2 TYR 63 HE2 TYR 63 -26.442 18.533 -10.474 460 HH TYR 63 HH TYR 63 -26.023 16.709 -9.151 461 H SER 64 H SER 64 -22.770 17.747 -16.564 462 HA SER 64 HA SER 64 -22.549 14.850 -16.175 463 1HB SER 64 HB2 SER 64 -21.277 14.466 -18.277 464 2HB SER 64 HB3 SER 64 -22.961 14.887 -18.577 465 HG SER 64 HG SER 64 -21.596 16.046 -19.954 466 H PHE 65 H PHE 65 -20.323 14.225 -15.752 467 HA PHE 65 HA PHE 65 -18.393 16.381 -15.140 468 1HB PHE 65 HB2 PHE 65 -18.426 15.395 -12.878 469 2HB PHE 65 HB3 PHE 65 -19.971 16.028 -13.443 470 HD1 PHE 65 HD1 PHE 65 -18.121 12.865 -12.816 471 HD2 PHE 65 HD2 PHE 65 -21.960 14.705 -13.427 472 HE1 PHE 65 HE1 PHE 65 -19.248 10.701 -12.349 473 HE2 PHE 65 HE2 PHE 65 -23.091 12.567 -12.933 474 HZ PHE 65 HZ PHE 65 -21.735 10.544 -12.396 475 H ASN 66 H ASN 66 -16.414 15.521 -14.074 476 HA ASN 66 HA ASN 66 -15.136 13.679 -15.969 477 1HB ASN 66 HB2 ASN 66 -13.094 14.780 -15.378 478 2HB ASN 66 HB3 ASN 66 -14.335 16.004 -15.546 479 1HD2 ASN 66 1HD2 ASN 66 -12.575 17.034 -12.539 480 2HD2 ASN 66 2HD2 ASN 66 -12.496 17.213 -14.308 481 H TYR 67 H TYR 67 -12.932 12.693 -14.736 482 HA TYR 67 HA TYR 67 -14.040 10.424 -13.277 483 1HB TYR 67 HB2 TYR 67 -11.756 9.524 -13.483 484 2HB TYR 67 HB3 TYR 67 -12.509 9.966 -15.015 485 HD1 TYR 67 HD1 TYR 67 -11.442 11.507 -16.503 486 HD2 TYR 67 HD2 TYR 67 -9.960 11.052 -12.453 487 HE1 TYR 67 HE1 TYR 67 -9.422 12.838 -17.079 488 HE2 TYR 67 HE2 TYR 67 -7.934 12.359 -13.052 489 HH TYR 67 HH TYR 67 -7.432 13.680 -16.363 490 H ASP 68 H ASP 68 -12.513 13.339 -12.210 491 HA ASP 68 HA ASP 68 -11.821 12.331 -9.464 492 1HB ASP 68 HB2 ASP 68 -11.777 15.074 -10.779 493 2HB ASP 68 HB3 ASP 68 -11.354 14.763 -9.094 494 H GLY 69 H GLY 69 -14.571 13.519 -11.160 495 1HA GLY 69 HA2 GLY 69 -16.758 13.964 -10.471 496 2HA GLY 69 HA3 GLY 69 -16.268 13.734 -8.790 497 H SER 70 H SER 70 -14.124 15.879 -10.350 498 HA SER 70 HA SER 70 -14.985 18.007 -8.570 499 1HB SER 70 HB2 SER 70 -12.925 19.106 -9.349 500 2HB SER 70 HB3 SER 70 -12.668 17.475 -8.699 501 HG SER 70 HG SER 70 -11.493 17.455 -10.524 502 H GLU 71 H GLU 71 -14.609 17.762 -12.148 503 HA GLU 71 HA GLU 71 -15.718 20.468 -12.505 504 1HB GLU 71 HB2 GLU 71 -14.855 18.330 -14.456 505 2HB GLU 71 HB3 GLU 71 -15.437 19.919 -14.928 506 1HG GLU 71 HG2 GLU 71 -13.580 21.030 -13.838 507 2HG GLU 71 HG3 GLU 71 -12.973 19.489 -13.197 508 H LEU 72 H LEU 72 -17.787 20.900 -12.664 509 HA LEU 72 HA LEU 72 -19.666 18.759 -13.578 510 1HB LEU 72 HB2 LEU 72 -19.745 19.395 -11.124 511 2HB LEU 72 HB3 LEU 72 -20.290 21.004 -11.640 512 HG LEU 72 HG LEU 72 -22.256 19.912 -12.750 513 1HD1 LEU 72 1HD1 LEU 72 -21.558 17.679 -13.144 514 2HD1 LEU 72 2HD1 LEU 72 -21.050 17.412 -11.445 515 3HD1 LEU 72 3HD1 LEU 72 -22.745 17.542 -11.847 516 1HD2 LEU 72 1HD2 LEU 72 -22.430 20.878 -10.501 517 2HD2 LEU 72 2HD2 LEU 72 -23.454 19.463 -10.682 518 3HD2 LEU 72 3HD2 LEU 72 -21.930 19.327 -9.775 519 H ILE 73 H ILE 73 -20.447 19.212 -15.489 520 HA ILE 73 HA ILE 73 -20.402 22.000 -16.564 521 HB ILE 73 HB ILE 73 -20.872 19.402 -18.079 522 1HG1 ILE 73 2HG1 ILE 73 -18.175 20.794 -18.126 523 2HG1 ILE 73 3HG1 ILE 73 -18.478 19.606 -16.872 524 1HG2 ILE 73 1HG2 ILE 73 -21.643 21.500 -19.123 525 2HG2 ILE 73 2HG2 ILE 73 -20.061 22.230 -18.914 526 3HG2 ILE 73 3HG2 ILE 73 -20.273 20.849 -20.020 527 1HD1 ILE 73 1HD1 ILE 73 -17.406 18.600 -18.790 528 2HD1 ILE 73 2HD1 ILE 73 -19.000 17.892 -18.455 529 3HD1 ILE 73 3HD1 ILE 73 -18.765 19.017 -19.834 530 H ILE 74 H ILE 74 -22.240 23.099 -16.547 531 HA ILE 74 HA ILE 74 -24.819 21.652 -16.129 532 HB ILE 74 HB ILE 74 -24.400 24.623 -15.701 533 1HG1 ILE 74 2HG1 ILE 74 -22.850 23.650 -14.110 534 2HG1 ILE 74 3HG1 ILE 74 -24.287 24.239 -13.300 535 1HG2 ILE 74 1HG2 ILE 74 -26.703 23.885 -16.000 536 2HG2 ILE 74 2HG2 ILE 74 -26.507 22.645 -14.750 537 3HG2 ILE 74 3HG2 ILE 74 -26.435 24.358 -14.303 538 1HD1 ILE 74 1HD1 ILE 74 -23.534 22.113 -12.362 539 2HD1 ILE 74 2HD1 ILE 74 -25.141 21.927 -13.052 540 3HD1 ILE 74 3HD1 ILE 74 -23.721 21.329 -13.930 541 H LYS 75 H LYS 75 -26.105 21.502 -17.890 542 HA LYS 75 HA LYS 75 -25.722 23.450 -20.120 543 1HB LYS 75 HB2 LYS 75 -26.736 21.887 -21.605 544 2HB LYS 75 HB3 LYS 75 -25.430 21.102 -20.727 545 1HG LYS 75 HG2 LYS 75 -27.208 20.117 -19.187 546 2HG LYS 75 HG3 LYS 75 -28.435 20.751 -20.302 547 1HD LYS 75 HD2 LYS 75 -26.247 18.741 -20.994 548 2HD LYS 75 HD3 LYS 75 -27.948 18.350 -20.699 549 1HE LYS 75 HE2 LYS 75 -28.632 19.784 -22.589 550 2HE LYS 75 HE3 LYS 75 -26.912 20.132 -22.956 551 1HZ LYS 75 HZ1 LYS 75 -26.601 17.745 -23.374 552 2HZ LYS 75 HZ2 LYS 75 -28.154 17.429 -22.999 553 3HZ LYS 75 HZ3 LYS 75 -27.812 18.320 -24.314 554 H LYS 76 H LYS 76 -27.430 24.333 -21.168 555 HA LYS 76 HA LYS 76 -29.208 25.717 -21.267 556 1HB LYS 76 HB2 LYS 76 -31.415 24.799 -21.147 557 2HB LYS 76 HB3 LYS 76 -30.303 23.762 -22.016 558 1HG LYS 76 HG2 LYS 76 -30.161 22.252 -20.021 559 2HG LYS 76 HG3 LYS 76 -31.340 23.272 -19.213 560 1HD LYS 76 HD2 LYS 76 -32.997 22.784 -20.977 561 2HD LYS 76 HD3 LYS 76 -31.778 21.811 -21.833 562 1HE LYS 76 HE2 LYS 76 -31.609 20.315 -19.830 563 2HE LYS 76 HE3 LYS 76 -32.859 21.255 -19.016 564 1HZ LYS 76 HZ1 LYS 76 -33.763 19.270 -20.113 565 2HZ LYS 76 HZ2 LYS 76 -34.400 20.619 -20.788 566 3HZ LYS 76 HZ3 LYS 76 -33.236 19.792 -21.570 567 H VAL 77 H VAL 77 -27.954 26.819 -19.664 568 HA VAL 77 HA VAL 77 -28.863 26.855 -16.885 569 HB VAL 77 HB VAL 77 -26.886 28.550 -18.407 570 1HG1 VAL 77 1HG1 VAL 77 -26.061 29.329 -16.195 571 2HG1 VAL 77 2HG1 VAL 77 -27.651 29.937 -16.579 572 3HG1 VAL 77 3HG1 VAL 77 -27.478 28.579 -15.423 573 1HG2 VAL 77 1HG2 VAL 77 -25.252 27.219 -17.031 574 2HG2 VAL 77 2HG2 VAL 77 -26.601 26.278 -16.368 575 3HG2 VAL 77 3HG2 VAL 77 -26.229 26.180 -18.098 576 H ASP 78 H ASP 78 -29.989 28.366 -15.753 577 HA ASP 78 HA ASP 78 -31.153 30.687 -17.154 578 1HB ASP 78 HB2 ASP 78 -32.621 28.445 -17.146 579 2HB ASP 78 HB3 ASP 78 -33.075 29.096 -15.542 580 H LYS 79 H LYS 79 -32.594 31.883 -15.439 581 HA LYS 79 HA LYS 79 -30.899 33.051 -13.512 582 1HB LYS 79 HB2 LYS 79 -33.925 33.046 -13.678 583 2HB LYS 79 HB3 LYS 79 -33.021 34.110 -12.626 584 1HG LYS 79 HG2 LYS 79 -31.932 35.200 -14.493 585 2HG LYS 79 HG3 LYS 79 -32.671 34.088 -15.659 586 1HD LYS 79 HD2 LYS 79 -34.240 35.998 -13.857 587 2HD LYS 79 HD3 LYS 79 -33.809 36.322 -15.529 588 1HE LYS 79 HE2 LYS 79 -35.036 34.308 -16.268 589 2HE LYS 79 HE3 LYS 79 -35.514 33.972 -14.613 590 1HZ LYS 79 HZ1 LYS 79 -36.709 36.136 -14.599 591 2HZ LYS 79 HZ2 LYS 79 -36.254 36.422 -16.156 592 3HZ LYS 79 HZ3 LYS 79 -37.245 35.173 -15.801 593 H SER 80 H SER 80 -32.890 30.236 -13.100 594 HA SER 80 HA SER 80 -32.941 30.259 -10.216 595 1HB SER 80 HB2 SER 80 -34.000 28.042 -10.543 596 2HB SER 80 HB3 SER 80 -34.770 29.310 -11.462 597 HG SER 80 HG SER 80 -34.439 27.416 -12.722 598 H ASP 81 H ASP 81 -30.434 29.448 -12.437 599 HA ASP 81 HA ASP 81 -29.265 27.330 -10.745 600 1HB ASP 81 HB2 ASP 81 -28.291 28.770 -13.237 601 2HB ASP 81 HB3 ASP 81 -27.415 27.466 -12.456 602 H GLU 82 H GLU 82 -29.322 30.683 -10.378 603 HA GLU 82 HA GLU 82 -26.687 31.317 -9.520 604 1HB GLU 82 HB2 GLU 82 -28.477 32.974 -9.885 605 2HB GLU 82 HB3 GLU 82 -29.376 32.363 -8.504 606 1HG GLU 82 HG2 GLU 82 -27.556 33.047 -6.993 607 2HG GLU 82 HG3 GLU 82 -26.524 33.449 -8.345 608 H ALA 83 H ALA 83 -25.499 30.727 -7.798 609 HA ALA 83 HA ALA 83 -26.650 29.390 -5.417 610 1HB ALA 83 HB1 ALA 83 -25.449 27.226 -6.001 611 2HB ALA 83 HB2 ALA 83 -26.689 27.632 -7.212 612 3HB ALA 83 HB3 ALA 83 -25.003 27.916 -7.555 613 H GLU 84 H GLU 84 -25.149 28.737 -3.822 614 HA GLU 84 HA GLU 84 -22.320 29.633 -4.135 615 1HB GLU 84 HB2 GLU 84 -23.511 31.037 -2.522 616 2HB GLU 84 HB3 GLU 84 -23.934 29.603 -1.555 617 1HG GLU 84 HG2 GLU 84 -21.655 29.229 -0.956 618 2HG GLU 84 HG3 GLU 84 -21.033 30.167 -2.314 619 H TYR 85 H TYR 85 -21.184 27.896 -4.552 620 HA TYR 85 HA TYR 85 -22.271 25.232 -4.013 621 1HB TYR 85 HB2 TYR 85 -20.004 26.212 -5.739 622 2HB TYR 85 HB3 TYR 85 -20.445 24.547 -5.560 623 HD1 TYR 85 HD1 TYR 85 -23.222 24.229 -5.814 624 HD2 TYR 85 HD2 TYR 85 -20.735 27.168 -7.755 625 HE1 TYR 85 HE1 TYR 85 -24.784 24.269 -7.752 626 HE2 TYR 85 HE2 TYR 85 -22.280 27.188 -9.681 627 HH TYR 85 HH TYR 85 -24.197 26.313 -10.608 628 H ILE 86 H ILE 86 -21.894 25.258 -1.731 629 HA ILE 86 HA ILE 86 -19.122 25.090 -0.727 630 HB ILE 86 HB ILE 86 -21.679 24.310 0.691 631 1HG1 ILE 86 2HG1 ILE 86 -20.180 26.974 0.584 632 2HG1 ILE 86 3HG1 ILE 86 -21.833 26.643 0.059 633 1HG2 ILE 86 1HG2 ILE 86 -19.587 23.287 1.659 634 2HG2 ILE 86 2HG2 ILE 86 -18.874 24.900 1.762 635 3HG2 ILE 86 3HG2 ILE 86 -20.301 24.472 2.720 636 1HD1 ILE 86 1HD1 ILE 86 -22.478 26.170 2.412 637 2HD1 ILE 86 2HD1 ILE 86 -20.843 26.695 2.931 638 3HD1 ILE 86 3HD1 ILE 86 -21.935 27.833 2.099 639 H CYS 87 H CYS 87 -17.888 23.280 -0.664 640 HA CYS 87 HA CYS 87 -19.122 20.705 -1.475 641 1HB CYS 87 HB2 CYS 87 -17.346 20.433 -3.160 642 2HB CYS 87 HB3 CYS 87 -18.322 21.896 -3.444 643 H ILE 88 H ILE 88 -18.239 18.834 -0.860 644 HA ILE 88 HA ILE 88 -16.175 18.942 1.312 645 HB ILE 88 HB ILE 88 -18.835 17.440 1.385 646 1HG1 ILE 88 2HG1 ILE 88 -19.081 19.141 3.485 647 2HG1 ILE 88 3HG1 ILE 88 -18.110 20.172 2.497 648 1HG2 ILE 88 1HG2 ILE 88 -17.028 16.359 2.680 649 2HG2 ILE 88 2HG2 ILE 88 -16.690 17.875 3.519 650 3HG2 ILE 88 3HG2 ILE 88 -18.226 17.037 3.788 651 1HD1 ILE 88 1HD1 ILE 88 -19.909 19.932 0.671 652 2HD1 ILE 88 2HD1 ILE 88 -20.825 18.942 1.814 653 3HD1 ILE 88 3HD1 ILE 88 -20.511 20.630 2.183 654 H ALA 89 H ALA 89 -14.807 17.218 1.392 655 HA ALA 89 HA ALA 89 -15.299 14.800 -0.299 656 1HB ALA 89 HB1 ALA 89 -12.710 16.398 0.005 657 2HB ALA 89 HB2 ALA 89 -12.909 14.871 -0.906 658 3HB ALA 89 HB3 ALA 89 -13.762 16.337 -1.467 659 H GLU 90 H GLU 90 -14.518 12.895 0.500 660 HA GLU 90 HA GLU 90 -13.305 12.775 3.247 661 1HB GLU 90 HB2 GLU 90 -15.842 12.872 3.333 662 2HB GLU 90 HB3 GLU 90 -15.869 11.373 2.368 663 1HG GLU 90 HG2 GLU 90 -14.554 10.231 4.188 664 2HG GLU 90 HG3 GLU 90 -14.643 11.701 5.147 665 H ASN 91 H ASN 91 -12.075 10.913 3.564 666 HA ASN 91 HA ASN 91 -12.592 8.561 1.926 667 1HB ASN 91 HB2 ASN 91 -10.567 8.194 0.868 668 2HB ASN 91 HB3 ASN 91 -10.945 9.847 0.523 669 1HD2 ASN 91 1HD2 ASN 91 -7.360 9.928 1.176 670 2HD2 ASN 91 2HD2 ASN 91 -8.450 9.263 -0.042 671 H LYS 92 H LYS 92 -10.421 6.959 2.667 672 HA LYS 92 HA LYS 92 -11.210 6.300 5.379 673 1HB LYS 92 HB2 LYS 92 -8.948 4.769 4.744 674 2HB LYS 92 HB3 LYS 92 -10.592 4.270 4.794 675 1HG LYS 92 HG2 LYS 92 -9.101 5.327 2.362 676 2HG LYS 92 HG3 LYS 92 -9.407 3.632 2.747 677 1HD LYS 92 HD2 LYS 92 -11.423 5.681 1.768 678 2HD LYS 92 HD3 LYS 92 -10.912 4.180 0.992 679 1HE LYS 92 HE2 LYS 92 -11.934 2.889 2.935 680 2HE LYS 92 HE3 LYS 92 -12.522 4.437 3.570 681 1HZ LYS 92 HZ1 LYS 92 -13.772 4.725 1.496 682 2HZ LYS 92 HZ2 LYS 92 -13.251 3.295 0.914 683 3HZ LYS 92 HZ3 LYS 92 -14.233 3.357 2.247 684 H ALA 93 H ALA 93 -8.796 8.385 4.254 685 HA ALA 93 HA ALA 93 -7.134 8.175 6.712 686 1HB ALA 93 HB1 ALA 93 -6.684 9.650 4.083 687 2HB ALA 93 HB2 ALA 93 -5.503 9.458 5.400 688 3HB ALA 93 HB3 ALA 93 -6.034 8.037 4.485 689 H GLY 94 H GLY 94 -9.445 10.398 5.150 690 1HA GLY 94 HA2 GLY 94 -9.807 11.916 7.514 691 2HA GLY 94 HA3 GLY 94 -8.633 12.758 6.508 692 H GLU 95 H GLU 95 -10.129 14.498 6.427 693 HA GLU 95 HA GLU 95 -12.333 14.339 4.447 694 1HB GLU 95 HB2 GLU 95 -13.205 13.640 6.750 695 2HB GLU 95 HB3 GLU 95 -12.789 15.250 7.318 696 1HG GLU 95 HG2 GLU 95 -14.340 16.174 5.535 697 2HG GLU 95 HG3 GLU 95 -14.859 14.520 5.220 698 H GLN 96 H GLN 96 -12.945 16.424 3.663 699 HA GLN 96 HA GLN 96 -11.487 18.846 4.519 700 1HB GLN 96 HB2 GLN 96 -10.104 17.137 2.967 701 2HB GLN 96 HB3 GLN 96 -11.079 17.828 1.691 702 1HG GLN 96 HG2 GLN 96 -9.029 19.075 1.724 703 2HG GLN 96 HG3 GLN 96 -10.224 20.135 2.479 704 1HE2 GLN 96 1HE2 GLN 96 -7.360 18.374 4.893 705 2HE2 GLN 96 2HE2 GLN 96 -7.772 17.635 3.336 706 H ASP 97 H ASP 97 -12.077 20.762 3.183 707 HA ASP 97 HA ASP 97 -14.409 20.567 1.439 708 1HB ASP 97 HB2 ASP 97 -15.905 21.933 2.801 709 2HB ASP 97 HB3 ASP 97 -15.427 20.506 3.702 710 H ALA 98 H ALA 98 -15.074 22.427 0.368 711 HA ALA 98 HA ALA 98 -13.551 24.935 0.601 712 1HB ALA 98 HB1 ALA 98 -13.568 23.326 -2.000 713 2HB ALA 98 HB2 ALA 98 -12.823 24.906 -1.765 714 3HB ALA 98 HB3 ALA 98 -12.178 23.507 -0.919 715 H THR 99 H THR 99 -14.477 26.440 -1.441 716 HA THR 99 HA THR 99 -17.395 26.057 -1.824 717 HB THR 99 HB THR 99 -16.129 28.317 -0.295 718 HG1 THR 99 HG1 THR 99 -16.919 26.207 0.647 719 1HG2 THR 99 1HG2 THR 99 -19.031 28.086 -1.306 720 2HG2 THR 99 2HG2 THR 99 -18.478 29.212 -0.060 721 3HG2 THR 99 3HG2 THR 99 -17.859 29.373 -1.696 722 H ILE 100 H ILE 100 -18.003 26.718 -3.761 723 HA ILE 100 HA ILE 100 -16.532 28.899 -5.213 724 HB ILE 100 HB ILE 100 -18.473 27.419 -6.854 725 1HG1 ILE 100 2HG1 ILE 100 -16.021 25.773 -6.127 726 2HG1 ILE 100 3HG1 ILE 100 -17.648 25.455 -5.548 727 1HG2 ILE 100 1HG2 ILE 100 -16.772 29.130 -7.596 728 2HG2 ILE 100 2HG2 ILE 100 -15.517 27.880 -7.306 729 3HG2 ILE 100 3HG2 ILE 100 -16.772 27.632 -8.548 730 1HD1 ILE 100 1HD1 ILE 100 -16.823 25.383 -8.451 731 2HD1 ILE 100 2HD1 ILE 100 -17.223 24.011 -7.420 732 3HD1 ILE 100 3HD1 ILE 100 -18.491 25.175 -7.831 733 H HIS 101 H HIS 101 -18.169 30.153 -6.711 734 HA HIS 101 HA HIS 101 -20.946 30.207 -5.711 735 1HB HIS 101 HB2 HIS 101 -19.561 31.881 -4.412 736 2HB HIS 101 HB3 HIS 101 -19.269 32.727 -5.939 737 HD1 HIS 101 HD1 HIS 101 -21.691 32.768 -3.107 738 HD2 HIS 101 HD2 HIS 101 -21.575 33.738 -7.215 739 HE1 HIS 101 HE1 HIS 101 -23.686 34.254 -3.562 740 H LEU 102 H LEU 102 -22.409 31.054 -7.271 741 HA LEU 102 HA LEU 102 -21.367 31.711 -9.980 742 1HB LEU 102 HB2 LEU 102 -21.850 29.347 -10.052 743 2HB LEU 102 HB3 LEU 102 -23.396 29.576 -9.217 744 HG LEU 102 HG LEU 102 -24.307 30.781 -11.187 745 1HD1 LEU 102 1HD1 LEU 102 -22.184 31.701 -12.125 746 2HD1 LEU 102 2HD1 LEU 102 -21.684 30.056 -12.589 747 3HD1 LEU 102 3HD1 LEU 102 -23.116 30.798 -13.333 748 1HD2 LEU 102 1HD2 LEU 102 -23.090 28.095 -11.921 749 2HD2 LEU 102 2HD2 LEU 102 -24.554 28.350 -10.943 750 3HD2 LEU 102 3HD2 LEU 102 -24.535 28.842 -12.638 751 H LYS 103 H LYS 103 -22.104 33.702 -10.365 752 HA LYS 103 HA LYS 103 -24.861 34.559 -9.559 753 1HB LYS 103 HB2 LYS 103 -22.553 36.005 -10.958 754 2HB LYS 103 HB3 LYS 103 -24.135 36.724 -10.571 755 1HG LYS 103 HG2 LYS 103 -23.714 36.381 -8.176 756 2HG LYS 103 HG3 LYS 103 -22.184 35.561 -8.511 757 1HD LYS 103 HD2 LYS 103 -21.739 37.805 -7.771 758 2HD LYS 103 HD3 LYS 103 -21.250 37.628 -9.468 759 1HE LYS 103 HE2 LYS 103 -23.387 38.740 -10.162 760 2HE LYS 103 HE3 LYS 103 -23.845 38.900 -8.472 761 1HZ LYS 103 HZ1 LYS 103 -21.434 40.142 -9.682 762 2HZ LYS 103 HZ2 LYS 103 -22.814 40.934 -9.308 763 3HZ LYS 103 HZ3 LYS 103 -21.914 40.286 -8.110 764 H VAL 104 H VAL 104 -26.435 35.091 -11.133 765 HA VAL 104 HA VAL 104 -25.861 34.448 -13.988 766 HB VAL 104 HB VAL 104 -28.314 33.498 -12.426 767 1HG1 VAL 104 1HG1 VAL 104 -28.802 34.048 -14.795 768 2HG1 VAL 104 2HG1 VAL 104 -27.455 33.037 -15.345 769 3HG1 VAL 104 3HG1 VAL 104 -28.839 32.312 -14.560 770 1HG2 VAL 104 1HG2 VAL 104 -26.448 32.083 -11.794 771 2HG2 VAL 104 2HG2 VAL 104 -27.479 31.189 -12.918 772 3HG2 VAL 104 3HG2 VAL 104 -25.958 31.890 -13.494 773 H PHE 105 H PHE 105 -26.582 35.944 -15.381 774 HA PHE 105 HA PHE 105 -28.772 37.794 -14.596 775 1HB PHE 105 HB2 PHE 105 -27.461 39.387 -16.112 776 2HB PHE 105 HB3 PHE 105 -26.963 39.199 -14.442 777 HD1 PHE 105 HD1 PHE 105 -26.155 38.095 -17.962 778 HD2 PHE 105 HD2 PHE 105 -24.720 38.727 -13.948 779 HE1 PHE 105 HE1 PHE 105 -23.837 37.664 -18.723 780 HE2 PHE 105 HE2 PHE 105 -22.400 38.277 -14.713 781 HZ PHE 105 HZ PHE 105 -21.961 37.705 -17.093 782 H ALA 106 H ALA 106 -29.957 38.677 -16.435 783 HA ALA 106 HA ALA 106 -30.162 36.715 -18.679 784 1HB ALA 106 HB1 ALA 106 -32.568 36.985 -18.553 785 2HB ALA 106 HB2 ALA 106 -31.937 36.507 -16.980 786 3HB ALA 106 HB3 ALA 106 -32.433 38.184 -17.236 787 H LYS 107 H LYS 107 -28.459 38.804 -19.020 788 HA LYS 107 HA LYS 107 -27.843 40.524 -20.336 789 1HB LYS 107 HB2 LYS 107 -30.299 39.954 -22.007 790 2HB LYS 107 HB3 LYS 107 -28.842 40.839 -22.498 791 1HG LYS 107 HG2 LYS 107 -27.458 38.807 -22.177 792 2HG LYS 107 HG3 LYS 107 -28.916 37.893 -21.764 793 1HD LYS 107 HD2 LYS 107 -28.352 37.437 -24.070 794 2HD LYS 107 HD3 LYS 107 -29.865 38.313 -23.999 795 1HE LYS 107 HE2 LYS 107 -28.659 40.438 -24.484 796 2HE LYS 107 HE3 LYS 107 -27.136 39.554 -24.610 797 1HZ LYS 107 HZ1 LYS 107 -28.116 38.298 -26.489 798 2HZ LYS 107 HZ2 LYS 107 -29.489 39.131 -26.355 799 3HZ LYS 107 HZ3 LYS 107 -28.118 39.890 -26.821 Start of MODEL 16 1 1H GLY 1 H1 GLY 1 -3.922 -0.771 3.114 2 2H GLY 1 H2 GLY 1 -2.756 0.026 3.939 3 3H GLY 1 H3 GLY 1 -4.300 -0.028 4.507 4 1HA GLY 1 HA2 GLY 1 -5.120 1.288 2.709 5 2HA GLY 1 HA3 GLY 1 -3.783 2.137 3.532 6 H LYS 2 H LYS 2 -4.783 2.301 0.721 7 HA LYS 2 HA LYS 2 -2.401 1.505 -0.852 8 1HB LYS 2 HB2 LYS 2 -4.748 0.996 -1.663 9 2HB LYS 2 HB3 LYS 2 -4.984 2.729 -1.854 10 1HG LYS 2 HG2 LYS 2 -2.624 1.339 -3.178 11 2HG LYS 2 HG3 LYS 2 -4.218 1.212 -3.867 12 1HD LYS 2 HD2 LYS 2 -4.451 3.622 -4.124 13 2HD LYS 2 HD3 LYS 2 -2.847 3.888 -3.446 14 1HE LYS 2 HE2 LYS 2 -3.415 2.254 -5.957 15 2HE LYS 2 HE3 LYS 2 -2.968 3.953 -5.957 16 1HZ LYS 2 HZ1 LYS 2 -1.012 2.529 -6.292 17 2HZ LYS 2 HZ2 LYS 2 -0.873 3.304 -4.840 18 3HZ LYS 2 HZ3 LYS 2 -1.313 1.725 -4.913 19 H ASP 3 H ASP 3 -1.038 2.957 -1.749 20 HA ASP 3 HA ASP 3 -1.481 5.841 -1.564 21 1HB ASP 3 HB2 ASP 3 -0.433 4.752 0.651 22 2HB ASP 3 HB3 ASP 3 1.044 4.865 -0.282 23 H ILE 4 H ILE 4 0.669 6.957 -2.298 24 HA ILE 4 HA ILE 4 1.940 5.487 -4.588 25 HB ILE 4 HB ILE 4 0.919 8.345 -4.448 26 1HG1 ILE 4 2HG1 ILE 4 -0.774 6.709 -5.117 27 2HG1 ILE 4 3HG1 ILE 4 -0.399 7.826 -6.396 28 1HG2 ILE 4 1HG2 ILE 4 1.874 8.600 -6.784 29 2HG2 ILE 4 2HG2 ILE 4 3.072 8.549 -5.487 30 3HG2 ILE 4 3HG2 ILE 4 2.789 7.118 -6.493 31 1HD1 ILE 4 1HD1 ILE 4 -0.736 5.593 -7.269 32 2HD1 ILE 4 2HD1 ILE 4 0.958 6.060 -7.498 33 3HD1 ILE 4 3HD1 ILE 4 0.507 4.920 -6.209 34 H GLN 5 H GLN 5 2.340 7.634 -1.826 35 HA GLN 5 HA GLN 5 5.307 7.875 -2.254 36 1HB GLN 5 HB2 GLN 5 3.417 9.172 -0.242 37 2HB GLN 5 HB3 GLN 5 5.149 9.497 -0.381 38 1HG GLN 5 HG2 GLN 5 3.026 10.158 -2.465 39 2HG GLN 5 HG3 GLN 5 3.850 11.279 -1.416 40 1HE2 GLN 5 1HE2 GLN 5 5.443 11.235 -4.852 41 2HE2 GLN 5 2HE2 GLN 5 3.764 11.324 -4.362 42 H VAL 6 H VAL 6 6.394 7.885 0.158 43 HA VAL 6 HA VAL 6 6.018 5.128 1.141 44 HB VAL 6 HB VAL 6 8.116 7.095 2.115 45 1HG1 VAL 6 1HG1 VAL 6 9.217 4.874 2.737 46 2HG1 VAL 6 2HG1 VAL 6 7.719 5.154 3.626 47 3HG1 VAL 6 3HG1 VAL 6 7.718 4.054 2.229 48 1HG2 VAL 6 1HG2 VAL 6 9.660 5.849 0.612 49 2HG2 VAL 6 2HG2 VAL 6 8.284 4.967 -0.056 50 3HG2 VAL 6 3HG2 VAL 6 8.441 6.711 -0.311 51 H ILE 7 H ILE 7 3.878 5.767 1.700 52 HA ILE 7 HA ILE 7 3.416 6.647 4.503 53 HB ILE 7 HB ILE 7 2.060 7.865 2.062 54 1HG1 ILE 7 2HG1 ILE 7 4.121 9.159 3.888 55 2HG1 ILE 7 3HG1 ILE 7 4.296 8.783 2.155 56 1HG2 ILE 7 1HG2 ILE 7 1.066 9.458 3.851 57 2HG2 ILE 7 2HG2 ILE 7 0.537 7.807 3.968 58 3HG2 ILE 7 3HG2 ILE 7 1.814 8.400 5.059 59 1HD1 ILE 7 1HD1 ILE 7 3.930 11.092 2.241 60 2HD1 ILE 7 2HD1 ILE 7 2.431 10.382 1.647 61 3HD1 ILE 7 3HD1 ILE 7 2.565 10.957 3.336 62 H VAL 8 H VAL 8 1.110 6.027 5.110 63 HA VAL 8 HA VAL 8 0.305 3.492 3.707 64 HB VAL 8 HB VAL 8 -0.089 4.422 6.590 65 1HG1 VAL 8 1HG1 VAL 8 -0.969 2.156 7.077 66 2HG1 VAL 8 2HG1 VAL 8 -2.018 3.064 5.986 67 3HG1 VAL 8 3HG1 VAL 8 -0.960 1.792 5.326 68 1HG2 VAL 8 1HG2 VAL 8 2.225 3.674 6.070 69 2HG2 VAL 8 2HG2 VAL 8 1.410 2.597 7.184 70 3HG2 VAL 8 3HG2 VAL 8 1.603 2.144 5.462 71 H ASN 9 H ASN 9 -0.888 6.533 4.935 72 HA ASN 9 HA ASN 9 -3.095 6.561 3.098 73 1HB ASN 9 HB2 ASN 9 -4.924 6.673 4.705 74 2HB ASN 9 HB3 ASN 9 -4.108 5.162 4.922 75 1HD2 ASN 9 1HD2 ASN 9 -3.078 4.725 6.945 76 2HD2 ASN 9 2HD2 ASN 9 -3.223 5.840 8.299 77 H VAL 10 H VAL 10 -4.090 8.491 2.983 78 HA VAL 10 HA VAL 10 -3.037 10.907 4.366 79 HB VAL 10 HB VAL 10 -3.090 10.465 1.346 80 1HG1 VAL 10 1HG1 VAL 10 -2.135 12.755 1.170 81 2HG1 VAL 10 2HG1 VAL 10 -3.801 12.731 1.667 82 3HG1 VAL 10 3HG1 VAL 10 -2.532 13.010 2.883 83 1HG2 VAL 10 1HG2 VAL 10 -1.069 9.547 2.345 84 2HG2 VAL 10 2HG2 VAL 10 -0.661 11.025 1.502 85 3HG2 VAL 10 3HG2 VAL 10 -0.779 11.033 3.261 86 HA PRO 11 HA PRO 11 -7.496 11.794 4.336 87 1HB PRO 11 HB2 PRO 11 -6.365 14.550 4.950 88 2HB PRO 11 HB3 PRO 11 -7.755 13.720 5.718 89 1HG PRO 11 HG2 PRO 11 -5.396 13.742 6.976 90 2HG PRO 11 HG3 PRO 11 -6.307 12.227 6.898 91 1HD PRO 11 HD2 PRO 11 -4.003 13.146 5.154 92 2HD PRO 11 HD3 PRO 11 -4.255 11.569 5.985 93 HA PRO 12 HA PRO 12 -8.174 13.661 0.426 94 1HB PRO 12 HB2 PRO 12 -10.506 15.256 1.388 95 2HB PRO 12 HB3 PRO 12 -10.414 14.002 0.110 96 1HG PRO 12 HG2 PRO 12 -11.540 13.525 2.560 97 2HG PRO 12 HG3 PRO 12 -10.632 12.263 1.667 98 1HD PRO 12 HD2 PRO 12 -9.691 14.115 3.883 99 2HD PRO 12 HD3 PRO 12 -9.440 12.338 3.704 100 H SER 13 H SER 13 -7.963 15.558 -0.838 101 HA SER 13 HA SER 13 -7.098 18.118 0.517 102 1HB SER 13 HB2 SER 13 -5.708 16.564 -1.710 103 2HB SER 13 HB3 SER 13 -5.246 18.170 -1.105 104 HG SER 13 HG SER 13 -5.331 15.744 0.419 105 H VAL 14 H VAL 14 -9.651 18.003 -0.384 106 HA VAL 14 HA VAL 14 -9.849 18.745 -3.167 107 HB VAL 14 HB VAL 14 -11.657 17.633 -1.854 108 1HG1 VAL 14 1HG1 VAL 14 -11.679 19.269 0.095 109 2HG1 VAL 14 2HG1 VAL 14 -12.446 20.448 -0.968 110 3HG1 VAL 14 3HG1 VAL 14 -13.283 18.926 -0.616 111 1HG2 VAL 14 1HG2 VAL 14 -12.495 20.127 -3.400 112 2HG2 VAL 14 2HG2 VAL 14 -12.048 18.555 -4.095 113 3HG2 VAL 14 3HG2 VAL 14 -13.490 18.692 -3.055 114 H ARG 15 H ARG 15 -10.050 20.583 -4.140 115 HA ARG 15 HA ARG 15 -9.917 23.219 -2.737 116 1HB ARG 15 HB2 ARG 15 -8.033 22.123 -4.872 117 2HB ARG 15 HB3 ARG 15 -8.210 23.843 -4.563 118 1HG ARG 15 HG2 ARG 15 -7.541 23.572 -2.240 119 2HG ARG 15 HG3 ARG 15 -7.453 21.815 -2.419 120 1HD ARG 15 HD2 ARG 15 -5.695 22.106 -4.181 121 2HD ARG 15 HD3 ARG 15 -5.683 23.846 -3.838 122 HE ARG 15 HE ARG 15 -4.674 21.614 -2.155 123 1HH1 ARG 15 1HH1 ARG 15 -3.309 22.090 -0.491 124 2HH1 ARG 15 2HH1 ARG 15 -3.247 23.694 0.160 125 1HH2 ARG 15 1HH2 ARG 15 -5.466 25.034 -2.079 126 2HH2 ARG 15 2HH2 ARG 15 -4.434 25.315 -0.701 127 H ALA 16 H ALA 16 -10.269 25.020 -4.284 128 HA ALA 16 HA ALA 16 -12.566 24.399 -6.099 129 1HB ALA 16 HB1 ALA 16 -13.055 26.763 -5.926 130 2HB ALA 16 HB2 ALA 16 -13.004 26.034 -4.324 131 3HB ALA 16 HB3 ALA 16 -11.653 27.053 -4.883 132 H ARG 17 H ARG 17 -12.351 24.586 -8.218 133 HA ARG 17 HA ARG 17 -9.698 25.163 -9.406 134 1HB ARG 17 HB2 ARG 17 -11.385 23.221 -9.993 135 2HB ARG 17 HB3 ARG 17 -12.138 24.457 -11.004 136 1HG ARG 17 HG2 ARG 17 -9.916 24.800 -12.153 137 2HG ARG 17 HG3 ARG 17 -9.277 23.462 -11.187 138 1HD ARG 17 HD2 ARG 17 -11.550 23.321 -13.216 139 2HD ARG 17 HD3 ARG 17 -9.917 22.712 -13.426 140 HE ARG 17 HE ARG 17 -11.867 21.607 -11.404 141 1HH1 ARG 17 1HH1 ARG 17 -9.482 20.830 -13.882 142 2HH1 ARG 17 2HH1 ARG 17 -9.545 19.140 -13.464 143 1HH2 ARG 17 1HH2 ARG 17 -11.659 19.586 -10.791 144 2HH2 ARG 17 2HH2 ARG 17 -10.731 18.458 -11.769 145 H GLN 18 H GLN 18 -12.855 26.573 -9.236 146 HA GLN 18 HA GLN 18 -11.935 29.106 -10.496 147 1HB GLN 18 HB2 GLN 18 -14.752 27.893 -10.423 148 2HB GLN 18 HB3 GLN 18 -14.412 29.547 -10.954 149 1HG GLN 18 HG2 GLN 18 -13.437 26.976 -12.249 150 2HG GLN 18 HG3 GLN 18 -14.733 28.023 -12.836 151 1HE2 GLN 18 1HE2 GLN 18 -11.709 28.811 -14.848 152 2HE2 GLN 18 2HE2 GLN 18 -12.599 27.340 -14.545 153 H SER 19 H SER 19 -13.503 30.942 -9.496 154 HA SER 19 HA SER 19 -13.810 30.492 -6.536 155 1HB SER 19 HB2 SER 19 -12.709 33.006 -7.853 156 2HB SER 19 HB3 SER 19 -13.054 32.774 -6.143 157 HG SER 19 HG SER 19 -10.801 32.450 -6.740 158 H THR 20 H THR 20 -14.829 32.605 -9.227 159 HA THR 20 HA THR 20 -17.632 32.617 -8.319 160 HB THR 20 HB THR 20 -16.036 35.217 -8.401 161 HG1 THR 20 HG1 THR 20 -16.465 33.533 -6.443 162 1HG2 THR 20 1HG2 THR 20 -18.194 36.220 -7.679 163 2HG2 THR 20 2HG2 THR 20 -18.265 35.583 -9.310 164 3HG2 THR 20 3HG2 THR 20 -19.007 34.661 -7.973 165 H MET 21 H MET 21 -18.653 32.217 -10.024 166 HA MET 21 HA MET 21 -17.714 33.057 -12.742 167 1HB MET 21 HB2 MET 21 -19.456 30.778 -11.729 168 2HB MET 21 HB3 MET 21 -19.250 31.119 -13.437 169 1HG MET 21 HG2 MET 21 -16.972 30.515 -11.511 170 2HG MET 21 HG3 MET 21 -17.754 29.324 -12.514 171 1HE MET 21 HE1 MET 21 -16.625 30.023 -16.127 172 2HE MET 21 HE2 MET 21 -17.394 28.891 -14.973 173 3HE MET 21 HE3 MET 21 -18.183 30.427 -15.393 174 H ASN 22 H ASN 22 -19.428 33.459 -14.363 175 HA ASN 22 HA ASN 22 -21.935 34.698 -13.324 176 1HB ASN 22 HB2 ASN 22 -19.856 35.984 -15.157 177 2HB ASN 22 HB3 ASN 22 -21.478 36.615 -14.942 178 1HD2 ASN 22 1HD2 ASN 22 -18.715 37.464 -12.122 179 2HD2 ASN 22 2HD2 ASN 22 -18.279 36.506 -13.512 180 H ALA 23 H ALA 23 -23.679 34.654 -14.890 181 HA ALA 23 HA ALA 23 -23.238 33.714 -17.623 182 1HB ALA 23 HB1 ALA 23 -24.697 31.944 -15.645 183 2HB ALA 23 HB2 ALA 23 -24.495 31.629 -17.371 184 3HB ALA 23 HB3 ALA 23 -23.085 31.585 -16.314 185 H THR 24 H THR 24 -25.221 33.608 -18.879 186 HA THR 24 HA THR 24 -27.433 35.288 -17.743 187 HB THR 24 HB THR 24 -26.896 34.898 -20.692 188 HG1 THR 24 HG1 THR 24 -25.099 35.907 -19.757 189 1HG2 THR 24 1HG2 THR 24 -29.134 35.781 -20.090 190 2HG2 THR 24 2HG2 THR 24 -28.376 37.050 -19.106 191 3HG2 THR 24 3HG2 THR 24 -28.163 37.028 -20.864 192 H ALA 25 H ALA 25 -29.202 34.257 -17.295 193 HA ALA 25 HA ALA 25 -29.858 31.567 -17.996 194 1HB ALA 25 HB1 ALA 25 -32.062 32.213 -16.890 195 2HB ALA 25 HB2 ALA 25 -30.624 32.633 -15.893 196 3HB ALA 25 HB3 ALA 25 -31.479 33.874 -16.831 197 H ASN 26 H ASN 26 -31.542 30.753 -19.222 198 HA ASN 26 HA ASN 26 -33.067 30.453 -20.809 199 1HB ASN 26 HB2 ASN 26 -33.548 33.465 -20.832 200 2HB ASN 26 HB3 ASN 26 -34.610 32.239 -21.458 201 1HD2 ASN 26 1HD2 ASN 26 -34.870 33.107 -17.569 202 2HD2 ASN 26 2HD2 ASN 26 -33.859 34.047 -18.662 203 H LEU 27 H LEU 27 -30.181 31.799 -21.593 204 HA LEU 27 HA LEU 27 -30.722 32.335 -24.429 205 1HB LEU 27 HB2 LEU 27 -28.065 32.214 -22.939 206 2HB LEU 27 HB3 LEU 27 -28.306 32.760 -24.587 207 HG LEU 27 HG LEU 27 -29.176 34.168 -22.065 208 1HD1 LEU 27 1HD1 LEU 27 -26.869 34.447 -22.844 209 2HD1 LEU 27 2HD1 LEU 27 -27.445 34.983 -24.439 210 3HD1 LEU 27 3HD1 LEU 27 -27.775 35.959 -22.993 211 1HD2 LEU 27 1HD2 LEU 27 -30.109 35.955 -23.535 212 2HD2 LEU 27 2HD2 LEU 27 -29.942 34.866 -24.961 213 3HD2 LEU 27 3HD2 LEU 27 -31.068 34.492 -23.633 214 H SER 28 H SER 28 -30.450 29.481 -22.791 215 HA SER 28 HA SER 28 -30.155 27.332 -23.393 216 1HB SER 28 HB2 SER 28 -30.372 28.328 -26.257 217 2HB SER 28 HB3 SER 28 -30.498 26.657 -25.743 218 HG SER 28 HG SER 28 -32.190 28.784 -24.883 219 H GLN 29 H GLN 29 -27.831 29.051 -23.030 220 HA GLN 29 HA GLN 29 -25.679 27.822 -24.654 221 1HB GLN 29 HB2 GLN 29 -24.233 29.394 -23.593 222 2HB GLN 29 HB3 GLN 29 -25.650 30.239 -24.190 223 1HG GLN 29 HG2 GLN 29 -26.573 30.254 -21.861 224 2HG GLN 29 HG3 GLN 29 -25.114 29.457 -21.266 225 1HE2 GLN 29 1HE2 GLN 29 -25.012 33.327 -21.147 226 2HE2 GLN 29 2HE2 GLN 29 -26.381 32.275 -20.814 227 H SER 30 H SER 30 -23.671 27.050 -23.426 228 HA SER 30 HA SER 30 -24.450 25.435 -21.029 229 1HB SER 30 HB2 SER 30 -22.747 23.800 -21.695 230 2HB SER 30 HB3 SER 30 -24.079 23.906 -22.855 231 HG SER 30 HG SER 30 -22.092 23.853 -23.935 232 H VAL 31 H VAL 31 -22.916 25.199 -19.445 233 HA VAL 31 HA VAL 31 -20.567 27.067 -19.417 234 HB VAL 31 HB VAL 31 -22.865 27.070 -17.411 235 1HG1 VAL 31 1HG1 VAL 31 -20.769 27.337 -16.147 236 2HG1 VAL 31 2HG1 VAL 31 -20.226 28.602 -17.273 237 3HG1 VAL 31 3HG1 VAL 31 -21.623 28.853 -16.224 238 1HG2 VAL 31 1HG2 VAL 31 -23.323 28.447 -19.393 239 2HG2 VAL 31 2HG2 VAL 31 -23.070 29.458 -17.976 240 3HG2 VAL 31 3HG2 VAL 31 -21.756 29.275 -19.185 241 H THR 32 H THR 32 -18.821 26.298 -18.262 242 HA THR 32 HA THR 32 -19.239 23.889 -16.516 243 HB THR 32 HB THR 32 -16.751 24.521 -18.146 244 HG1 THR 32 HG1 THR 32 -18.486 23.913 -19.452 245 1HG2 THR 32 1HG2 THR 32 -16.237 23.104 -16.133 246 2HG2 THR 32 2HG2 THR 32 -17.563 22.009 -16.576 247 3HG2 THR 32 3HG2 THR 32 -16.128 22.157 -17.621 248 H LEU 33 H LEU 33 -18.328 23.907 -14.529 249 HA LEU 33 HA LEU 33 -16.170 25.728 -13.798 250 1HB LEU 33 HB2 LEU 33 -17.183 26.893 -12.038 251 2HB LEU 33 HB3 LEU 33 -18.176 27.210 -13.419 252 HG LEU 33 HG LEU 33 -18.848 25.143 -11.265 253 1HD1 LEU 33 1HD1 LEU 33 -19.830 28.010 -11.604 254 2HD1 LEU 33 2HD1 LEU 33 -20.344 26.840 -10.376 255 3HD1 LEU 33 3HD1 LEU 33 -18.670 27.445 -10.356 256 1HD2 LEU 33 1HD2 LEU 33 -20.122 24.678 -13.266 257 2HD2 LEU 33 2HD2 LEU 33 -21.186 25.394 -12.084 258 3HD2 LEU 33 3HD2 LEU 33 -20.560 26.364 -13.449 259 H ALA 34 H ALA 34 -15.423 25.149 -11.420 260 HA ALA 34 HA ALA 34 -16.256 22.406 -10.686 261 1HB ALA 34 HB1 ALA 34 -13.546 22.987 -11.973 262 2HB ALA 34 HB2 ALA 34 -14.161 21.379 -11.526 263 3HB ALA 34 HB3 ALA 34 -14.867 22.324 -12.865 264 H CYS 35 H CYS 35 -15.071 21.303 -9.250 265 HA CYS 35 HA CYS 35 -13.088 22.691 -7.491 266 1HB CYS 35 HB2 CYS 35 -15.193 20.624 -6.783 267 2HB CYS 35 HB3 CYS 35 -13.744 20.893 -5.820 268 H ASP 36 H ASP 36 -11.577 20.848 -6.515 269 HA ASP 36 HA ASP 36 -11.202 18.574 -8.332 270 1HB ASP 36 HB2 ASP 36 -8.931 19.037 -8.930 271 2HB ASP 36 HB3 ASP 36 -9.883 20.428 -9.399 272 H ALA 37 H ALA 37 -10.606 16.787 -7.266 273 HA ALA 37 HA ALA 37 -9.756 17.057 -4.428 274 1HB ALA 37 HB1 ALA 37 -11.570 14.977 -5.687 275 2HB ALA 37 HB2 ALA 37 -11.160 15.115 -3.977 276 3HB ALA 37 HB3 ALA 37 -12.144 16.374 -4.748 277 H ASP 38 H ASP 38 -8.567 15.420 -3.514 278 HA ASP 38 HA ASP 38 -7.343 13.237 -5.019 279 1HB ASP 38 HB2 ASP 38 -5.962 15.212 -5.664 280 2HB ASP 38 HB3 ASP 38 -5.698 15.587 -3.966 281 H GLY 39 H GLY 39 -5.897 11.977 -3.462 282 1HA GLY 39 HA2 GLY 39 -5.480 12.203 -0.786 283 2HA GLY 39 HA3 GLY 39 -7.159 11.654 -0.804 284 H PHE 40 H PHE 40 -5.314 9.995 0.412 285 HA PHE 40 HA PHE 40 -5.216 7.673 -1.463 286 1HB PHE 40 HB2 PHE 40 -2.913 8.419 0.358 287 2HB PHE 40 HB3 PHE 40 -3.073 6.993 -0.621 288 HD1 PHE 40 HD1 PHE 40 -3.629 7.486 -3.256 289 HD2 PHE 40 HD2 PHE 40 -1.510 10.097 -0.548 290 HE1 PHE 40 HE1 PHE 40 -2.574 8.632 -5.191 291 HE2 PHE 40 HE2 PHE 40 -0.357 11.158 -2.470 292 HZ PHE 40 HZ PHE 40 -0.912 10.434 -4.812 293 HA PRO 41 HA PRO 41 -6.124 5.708 -1.604 294 1HB PRO 41 HB2 PRO 41 -8.543 4.556 -1.259 295 2HB PRO 41 HB3 PRO 41 -7.010 3.779 -0.757 296 1HG PRO 41 HG2 PRO 41 -8.952 5.374 0.930 297 2HG PRO 41 HG3 PRO 41 -8.237 3.780 1.307 298 1HD PRO 41 HD2 PRO 41 -7.214 6.082 2.300 299 2HD PRO 41 HD3 PRO 41 -6.110 4.773 1.790 300 H GLU 42 H GLU 42 -7.599 6.218 -3.274 301 HA GLU 42 HA GLU 42 -8.273 8.801 -3.658 302 1HB GLU 42 HB2 GLU 42 -9.650 8.122 -5.543 303 2HB GLU 42 HB3 GLU 42 -8.179 7.166 -5.456 304 1HG GLU 42 HG2 GLU 42 -9.521 5.310 -4.358 305 2HG GLU 42 HG3 GLU 42 -10.975 6.266 -4.647 306 HA PRO 43 HA PRO 43 -11.647 9.592 -1.014 307 1HB PRO 43 HB2 PRO 43 -12.221 12.182 -1.545 308 2HB PRO 43 HB3 PRO 43 -10.624 11.660 -0.934 309 1HG PRO 43 HG2 PRO 43 -11.437 12.108 -3.822 310 2HG PRO 43 HG3 PRO 43 -10.055 12.862 -2.971 311 1HD PRO 43 HD2 PRO 43 -9.696 10.634 -4.463 312 2HD PRO 43 HD3 PRO 43 -8.864 10.821 -2.906 313 H THR 44 H THR 44 -13.763 10.196 -0.748 314 HA THR 44 HA THR 44 -15.665 9.890 -3.061 315 HB THR 44 HB THR 44 -16.111 9.552 -0.053 316 HG1 THR 44 HG1 THR 44 -16.264 7.339 -0.620 317 1HG2 THR 44 1HG2 THR 44 -17.982 9.026 -2.397 318 2HG2 THR 44 2HG2 THR 44 -18.249 8.475 -0.735 319 3HG2 THR 44 3HG2 THR 44 -18.198 10.220 -1.082 320 H MET 45 H MET 45 -17.384 11.589 -3.202 321 HA MET 45 HA MET 45 -17.089 13.957 -1.519 322 1HB MET 45 HB2 MET 45 -16.320 15.396 -3.404 323 2HB MET 45 HB3 MET 45 -15.122 14.181 -2.932 324 1HG MET 45 HG2 MET 45 -16.020 12.699 -4.817 325 2HG MET 45 HG3 MET 45 -16.932 14.087 -5.384 326 1HE MET 45 HE1 MET 45 -15.856 16.273 -6.397 327 2HE MET 45 HE2 MET 45 -14.996 16.524 -4.870 328 3HE MET 45 HE3 MET 45 -14.120 16.599 -6.390 329 H THR 46 H THR 46 -18.454 15.700 -1.980 330 HA THR 46 HA THR 46 -20.642 15.516 -3.941 331 HB THR 46 HB THR 46 -22.377 15.881 -2.152 332 HG1 THR 46 HG1 THR 46 -21.885 15.191 -0.048 333 1HG2 THR 46 1HG2 THR 46 -21.076 13.143 -1.894 334 2HG2 THR 46 2HG2 THR 46 -22.785 13.583 -1.589 335 3HG2 THR 46 3HG2 THR 46 -22.102 13.670 -3.239 336 H TRP 47 H TRP 47 -22.144 17.529 -3.538 337 HA TRP 47 HA TRP 47 -20.935 19.772 -2.154 338 1HB TRP 47 HB2 TRP 47 -20.775 21.236 -4.185 339 2HB TRP 47 HB3 TRP 47 -19.538 20.080 -3.852 340 HD1 TRP 47 HD1 TRP 47 -20.062 17.597 -5.476 341 HE1 TRP 47 HE1 TRP 47 -19.249 17.789 -7.866 342 HE3 TRP 47 HE3 TRP 47 -20.858 22.591 -6.192 343 HZ2 TRP 47 HZ2 TRP 47 -18.390 19.921 -9.580 344 HZ3 TRP 47 HZ3 TRP 47 -19.963 23.710 -8.251 345 HH2 TRP 47 HH2 TRP 47 -18.693 22.395 -9.906 346 H THR 48 H THR 48 -22.274 21.900 -2.645 347 HA THR 48 HA THR 48 -25.136 21.087 -2.697 348 HB THR 48 HB THR 48 -25.603 22.528 -0.815 349 HG1 THR 48 HG1 THR 48 -23.858 23.441 0.318 350 1HG2 THR 48 1HG2 THR 48 -24.853 20.149 -0.380 351 2HG2 THR 48 2HG2 THR 48 -23.229 20.784 -0.069 352 3HG2 THR 48 3HG2 THR 48 -24.578 21.278 0.966 353 H LYS 49 H LYS 49 -26.664 22.416 -3.385 354 HA LYS 49 HA LYS 49 -25.910 24.651 -5.218 355 1HB LYS 49 HB2 LYS 49 -27.345 22.507 -5.775 356 2HB LYS 49 HB3 LYS 49 -28.582 23.268 -4.834 357 1HG LYS 49 HG2 LYS 49 -29.185 23.794 -6.978 358 2HG LYS 49 HG3 LYS 49 -28.364 25.271 -6.497 359 1HD LYS 49 HD2 LYS 49 -26.410 24.673 -7.758 360 2HD LYS 49 HD3 LYS 49 -27.027 23.015 -8.031 361 1HE LYS 49 HE2 LYS 49 -28.941 24.002 -9.309 362 2HE LYS 49 HE3 LYS 49 -28.258 25.599 -9.097 363 1HZ LYS 49 HZ1 LYS 49 -27.661 24.659 -11.255 364 2HZ LYS 49 HZ2 LYS 49 -26.292 24.768 -10.357 365 3HZ LYS 49 HZ3 LYS 49 -27.027 23.314 -10.559 366 H ASP 50 H ASP 50 -25.547 25.530 -2.715 367 HA ASP 50 HA ASP 50 -26.074 26.902 -1.025 368 1HB ASP 50 HB2 ASP 50 -26.277 28.379 -3.078 369 2HB ASP 50 HB3 ASP 50 -28.004 28.230 -2.944 370 H GLY 51 H GLY 51 -27.723 24.459 -1.148 371 1HA GLY 51 HA2 GLY 51 -29.362 24.759 1.083 372 2HA GLY 51 HA3 GLY 51 -30.426 25.142 -0.270 373 H GLU 52 H GLU 52 -28.758 22.924 -1.841 374 HA GLU 52 HA GLU 52 -29.809 20.462 -0.594 375 1HB GLU 52 HB2 GLU 52 -31.194 19.877 -2.501 376 2HB GLU 52 HB3 GLU 52 -31.729 21.382 -1.766 377 1HG GLU 52 HG2 GLU 52 -30.540 22.673 -3.605 378 2HG GLU 52 HG3 GLU 52 -30.135 21.107 -4.367 379 HA PRO 53 HA PRO 53 -26.205 18.867 -2.329 380 1HB PRO 53 HB2 PRO 53 -26.571 16.181 -2.489 381 2HB PRO 53 HB3 PRO 53 -26.604 17.064 -0.943 382 1HG PRO 53 HG2 PRO 53 -28.979 16.229 -2.631 383 2HG PRO 53 HG3 PRO 53 -28.701 15.992 -0.865 384 1HD PRO 53 HD2 PRO 53 -30.178 18.074 -1.793 385 2HD PRO 53 HD3 PRO 53 -29.109 18.263 -0.379 386 H ILE 54 H ILE 54 -25.094 18.656 -4.086 387 HA ILE 54 HA ILE 54 -26.252 18.139 -6.752 388 HB ILE 54 HB ILE 54 -23.545 19.247 -5.932 389 1HG1 ILE 54 2HG1 ILE 54 -25.976 20.811 -6.957 390 2HG1 ILE 54 3HG1 ILE 54 -25.572 20.690 -5.248 391 1HG2 ILE 54 1HG2 ILE 54 -24.956 19.521 -8.647 392 2HG2 ILE 54 2HG2 ILE 54 -23.301 20.037 -8.248 393 3HG2 ILE 54 3HG2 ILE 54 -23.664 18.334 -8.307 394 1HD1 ILE 54 1HD1 ILE 54 -23.705 21.904 -7.296 395 2HD1 ILE 54 2HD1 ILE 54 -24.753 22.758 -6.159 396 3HD1 ILE 54 3HD1 ILE 54 -23.435 21.728 -5.543 397 H GLU 55 H GLU 55 -26.308 15.911 -5.290 398 HA GLU 55 HA GLU 55 -23.946 14.243 -5.623 399 1HB GLU 55 HB2 GLU 55 -25.379 12.483 -4.697 400 2HB GLU 55 HB3 GLU 55 -25.320 13.915 -3.680 401 1HG GLU 55 HG2 GLU 55 -27.594 14.572 -4.491 402 2HG GLU 55 HG3 GLU 55 -27.620 13.141 -5.525 403 H GLN 56 H GLN 56 -23.485 12.859 -7.178 404 HA GLN 56 HA GLN 56 -24.596 13.184 -9.718 405 1HB GLN 56 HB2 GLN 56 -22.667 11.130 -8.566 406 2HB GLN 56 HB3 GLN 56 -23.023 11.221 -10.295 407 1HG GLN 56 HG2 GLN 56 -22.280 13.826 -9.067 408 2HG GLN 56 HG3 GLN 56 -21.013 12.600 -9.029 409 1HE2 GLN 56 1HE2 GLN 56 -20.341 12.606 -12.501 410 2HE2 GLN 56 2HE2 GLN 56 -20.289 11.619 -11.048 411 H GLU 57 H GLU 57 -26.050 11.351 -7.374 412 HA GLU 57 HA GLU 57 -27.122 9.252 -9.203 413 1HB GLU 57 HB2 GLU 57 -27.281 9.605 -6.169 414 2HB GLU 57 HB3 GLU 57 -28.032 8.286 -7.049 415 1HG GLU 57 HG2 GLU 57 -25.745 7.613 -7.906 416 2HG GLU 57 HG3 GLU 57 -25.032 8.878 -6.888 417 H ASP 58 H ASP 58 -27.935 12.358 -8.243 418 HA ASP 58 HA ASP 58 -30.818 11.976 -8.953 419 1HB ASP 58 HB2 ASP 58 -30.459 11.929 -6.447 420 2HB ASP 58 HB3 ASP 58 -29.847 13.553 -6.552 421 H ASN 59 H ASN 59 -27.958 13.757 -9.482 422 HA ASN 59 HA ASN 59 -29.443 16.188 -10.400 423 1HB ASN 59 HB2 ASN 59 -26.571 15.865 -9.415 424 2HB ASN 59 HB3 ASN 59 -27.161 17.291 -10.259 425 1HD2 ASN 59 1HD2 ASN 59 -28.284 16.696 -6.412 426 2HD2 ASN 59 2HD2 ASN 59 -27.593 15.359 -7.346 427 H GLU 60 H GLU 60 -30.056 15.185 -12.293 428 HA GLU 60 HA GLU 60 -28.013 14.889 -14.426 429 1HB GLU 60 HB2 GLU 60 -28.798 12.823 -13.114 430 2HB GLU 60 HB3 GLU 60 -30.391 13.090 -13.826 431 1HG GLU 60 HG2 GLU 60 -29.473 12.779 -16.088 432 2HG GLU 60 HG3 GLU 60 -27.842 12.751 -15.424 433 H GLU 61 H GLU 61 -30.660 16.719 -13.603 434 HA GLU 61 HA GLU 61 -32.302 16.447 -15.963 435 1HB GLU 61 HB2 GLU 61 -32.280 18.504 -13.729 436 2HB GLU 61 HB3 GLU 61 -33.492 18.417 -15.012 437 1HG GLU 61 HG2 GLU 61 -33.955 16.029 -14.333 438 2HG GLU 61 HG3 GLU 61 -32.877 16.287 -12.945 439 H LYS 62 H LYS 62 -29.682 18.661 -15.152 440 HA LYS 62 HA LYS 62 -29.323 19.249 -17.961 441 1HB LYS 62 HB2 LYS 62 -29.473 21.740 -17.752 442 2HB LYS 62 HB3 LYS 62 -31.033 20.993 -17.504 443 1HG LYS 62 HG2 LYS 62 -30.872 21.262 -15.072 444 2HG LYS 62 HG3 LYS 62 -29.214 21.838 -15.193 445 1HD LYS 62 HD2 LYS 62 -29.885 23.860 -16.348 446 2HD LYS 62 HD3 LYS 62 -31.569 23.294 -16.454 447 1HE LYS 62 HE2 LYS 62 -31.836 23.318 -14.050 448 2HE LYS 62 HE3 LYS 62 -30.106 23.562 -13.779 449 1HZ LYS 62 HZ1 LYS 62 -30.235 25.735 -14.589 450 2HZ LYS 62 HZ2 LYS 62 -31.729 25.547 -15.226 451 3HZ LYS 62 HZ3 LYS 62 -31.506 25.616 -13.574 452 H TYR 63 H TYR 63 -27.738 17.894 -16.263 453 HA TYR 63 HA TYR 63 -25.249 19.257 -16.259 454 1HB TYR 63 HB2 TYR 63 -25.150 19.260 -13.591 455 2HB TYR 63 HB3 TYR 63 -25.619 20.631 -14.564 456 HD1 TYR 63 HD1 TYR 63 -27.138 21.904 -13.411 457 HD2 TYR 63 HD2 TYR 63 -27.543 17.604 -13.308 458 HE1 TYR 63 HE1 TYR 63 -29.269 22.131 -12.147 459 HE2 TYR 63 HE2 TYR 63 -29.712 17.842 -12.063 460 HH TYR 63 HH TYR 63 -31.037 21.033 -11.167 461 H SER 64 H SER 64 -23.486 18.189 -15.272 462 HA SER 64 HA SER 64 -23.487 15.900 -13.642 463 1HB SER 64 HB2 SER 64 -23.111 15.346 -16.603 464 2HB SER 64 HB3 SER 64 -22.393 14.311 -15.382 465 HG SER 64 HG SER 64 -25.152 14.918 -15.394 466 H PHE 65 H PHE 65 -21.251 15.304 -13.020 467 HA PHE 65 HA PHE 65 -19.083 16.588 -14.519 468 1HB PHE 65 HB2 PHE 65 -18.047 17.082 -12.437 469 2HB PHE 65 HB3 PHE 65 -19.676 17.681 -12.475 470 HD1 PHE 65 HD1 PHE 65 -21.249 17.145 -10.755 471 HD2 PHE 65 HD2 PHE 65 -17.465 15.083 -11.003 472 HE1 PHE 65 HE1 PHE 65 -21.542 16.329 -8.451 473 HE2 PHE 65 HE2 PHE 65 -17.775 14.229 -8.699 474 HZ PHE 65 HZ PHE 65 -19.820 14.859 -7.407 475 H ASN 66 H ASN 66 -16.886 15.668 -13.776 476 HA ASN 66 HA ASN 66 -16.972 12.674 -13.896 477 1HB ASN 66 HB2 ASN 66 -14.813 12.836 -15.160 478 2HB ASN 66 HB3 ASN 66 -16.230 13.419 -16.000 479 1HD2 ASN 66 1HD2 ASN 66 -13.267 16.093 -14.949 480 2HD2 ASN 66 2HD2 ASN 66 -13.533 14.714 -13.880 481 H TYR 67 H TYR 67 -15.232 11.527 -12.945 482 HA TYR 67 HA TYR 67 -14.572 12.589 -10.306 483 1HB TYR 67 HB2 TYR 67 -14.101 9.842 -11.515 484 2HB TYR 67 HB3 TYR 67 -13.995 10.275 -9.793 485 HD1 TYR 67 HD1 TYR 67 -16.181 11.459 -8.817 486 HD2 TYR 67 HD2 TYR 67 -16.118 8.899 -12.302 487 HE1 TYR 67 HE1 TYR 67 -18.651 11.112 -8.634 488 HE2 TYR 67 HE2 TYR 67 -18.555 8.531 -12.107 489 HH TYR 67 HH TYR 67 -20.462 9.005 -10.866 490 H ASP 68 H ASP 68 -12.308 11.547 -9.414 491 HA ASP 68 HA ASP 68 -10.247 12.343 -9.021 492 1HB ASP 68 HB2 ASP 68 -8.493 11.862 -10.551 493 2HB ASP 68 HB3 ASP 68 -9.626 10.540 -10.442 494 H GLY 69 H GLY 69 -12.176 14.167 -9.532 495 1HA GLY 69 HA2 GLY 69 -11.113 16.757 -9.646 496 2HA GLY 69 HA3 GLY 69 -11.651 16.320 -11.306 497 H SER 70 H SER 70 -13.265 18.026 -10.994 498 HA SER 70 HA SER 70 -15.844 16.933 -10.209 499 1HB SER 70 HB2 SER 70 -14.689 17.846 -8.042 500 2HB SER 70 HB3 SER 70 -15.184 19.422 -8.663 501 HG SER 70 HG SER 70 -16.766 18.454 -7.314 502 H GLU 71 H GLU 71 -14.939 17.744 -12.651 503 HA GLU 71 HA GLU 71 -15.607 20.470 -13.268 504 1HB GLU 71 HB2 GLU 71 -15.109 18.091 -15.074 505 2HB GLU 71 HB3 GLU 71 -15.277 19.764 -15.619 506 1HG GLU 71 HG2 GLU 71 -13.265 20.434 -14.447 507 2HG GLU 71 HG3 GLU 71 -13.178 18.920 -13.570 508 H LEU 72 H LEU 72 -17.666 20.985 -12.627 509 HA LEU 72 HA LEU 72 -19.986 19.413 -13.518 510 1HB LEU 72 HB2 LEU 72 -19.975 20.313 -11.270 511 2HB LEU 72 HB3 LEU 72 -19.679 21.949 -11.902 512 HG LEU 72 HG LEU 72 -21.929 21.916 -12.975 513 1HD1 LEU 72 1HD1 LEU 72 -22.317 19.494 -13.284 514 2HD1 LEU 72 2HD1 LEU 72 -22.215 19.243 -11.529 515 3HD1 LEU 72 3HD1 LEU 72 -23.564 20.181 -12.210 516 1HD2 LEU 72 1HD2 LEU 72 -23.226 22.079 -10.859 517 2HD2 LEU 72 2HD2 LEU 72 -21.919 21.259 -9.994 518 3HD2 LEU 72 3HD2 LEU 72 -21.620 22.849 -10.712 519 H ILE 73 H ILE 73 -20.701 19.549 -15.409 520 HA ILE 73 HA ILE 73 -20.614 22.101 -16.984 521 HB ILE 73 HB ILE 73 -21.386 19.286 -17.833 522 1HG1 ILE 73 2HG1 ILE 73 -18.786 20.516 -18.779 523 2HG1 ILE 73 3HG1 ILE 73 -18.786 19.861 -17.151 524 1HG2 ILE 73 1HG2 ILE 73 -22.374 21.002 -19.240 525 2HG2 ILE 73 2HG2 ILE 73 -20.839 21.859 -19.413 526 3HG2 ILE 73 3HG2 ILE 73 -21.048 20.260 -20.152 527 1HD1 ILE 73 1HD1 ILE 73 -19.527 17.680 -17.897 528 2HD1 ILE 73 2HD1 ILE 73 -19.587 18.271 -19.585 529 3HD1 ILE 73 3HD1 ILE 73 -18.044 18.182 -18.704 530 H ILE 74 H ILE 74 -22.447 23.196 -17.232 531 HA ILE 74 HA ILE 74 -25.102 21.999 -16.504 532 HB ILE 74 HB ILE 74 -24.031 24.845 -16.139 533 1HG1 ILE 74 2HG1 ILE 74 -25.288 22.967 -14.107 534 2HG1 ILE 74 3HG1 ILE 74 -23.559 23.014 -14.395 535 1HG2 ILE 74 1HG2 ILE 74 -26.897 23.826 -15.805 536 2HG2 ILE 74 2HG2 ILE 74 -26.308 25.419 -15.315 537 3HG2 ILE 74 3HG2 ILE 74 -26.334 25.004 -17.017 538 1HD1 ILE 74 1HD1 ILE 74 -23.966 24.342 -12.481 539 2HD1 ILE 74 2HD1 ILE 74 -23.472 25.417 -13.788 540 3HD1 ILE 74 3HD1 ILE 74 -25.199 25.315 -13.338 541 H LYS 75 H LYS 75 -26.637 22.104 -18.077 542 HA LYS 75 HA LYS 75 -25.958 23.654 -20.551 543 1HB LYS 75 HB2 LYS 75 -27.145 22.119 -21.901 544 2HB LYS 75 HB3 LYS 75 -26.005 21.236 -20.907 545 1HG LYS 75 HG2 LYS 75 -27.805 19.869 -20.916 546 2HG LYS 75 HG3 LYS 75 -27.989 20.680 -19.363 547 1HD LYS 75 HD2 LYS 75 -29.753 22.138 -20.345 548 2HD LYS 75 HD3 LYS 75 -29.465 21.459 -21.944 549 1HE LYS 75 HE2 LYS 75 -30.520 19.907 -19.542 550 2HE LYS 75 HE3 LYS 75 -31.523 20.625 -20.790 551 1HZ LYS 75 HZ1 LYS 75 -29.507 18.484 -21.242 552 2HZ LYS 75 HZ2 LYS 75 -31.138 18.295 -21.254 553 3HZ LYS 75 HZ3 LYS 75 -30.428 19.158 -22.430 554 H LYS 76 H LYS 76 -27.478 24.661 -21.615 555 HA LYS 76 HA LYS 76 -28.978 26.124 -22.134 556 1HB LYS 76 HB2 LYS 76 -31.247 25.795 -21.946 557 2HB LYS 76 HB3 LYS 76 -30.517 24.189 -21.922 558 1HG LYS 76 HG2 LYS 76 -30.925 24.092 -19.446 559 2HG LYS 76 HG3 LYS 76 -31.606 25.738 -19.506 560 1HD LYS 76 HD2 LYS 76 -33.335 24.950 -21.083 561 2HD LYS 76 HD3 LYS 76 -32.654 23.331 -21.068 562 1HE LYS 76 HE2 LYS 76 -34.560 23.280 -19.663 563 2HE LYS 76 HE3 LYS 76 -33.153 23.179 -18.594 564 1HZ LYS 76 HZ1 LYS 76 -33.432 25.477 -17.988 565 2HZ LYS 76 HZ2 LYS 76 -34.589 25.730 -19.106 566 3HZ LYS 76 HZ3 LYS 76 -34.888 24.757 -17.842 567 H VAL 77 H VAL 77 -28.845 25.858 -18.720 568 HA VAL 77 HA VAL 77 -28.475 27.227 -17.003 569 HB VAL 77 HB VAL 77 -27.799 29.261 -19.124 570 1HG1 VAL 77 1HG1 VAL 77 -28.236 30.449 -16.991 571 2HG1 VAL 77 2HG1 VAL 77 -27.150 29.332 -16.134 572 3HG1 VAL 77 3HG1 VAL 77 -26.531 30.449 -17.380 573 1HG2 VAL 77 1HG2 VAL 77 -25.459 28.663 -18.578 574 2HG2 VAL 77 2HG2 VAL 77 -26.017 27.481 -17.381 575 3HG2 VAL 77 3HG2 VAL 77 -26.346 27.232 -19.118 576 H ASP 78 H ASP 78 -29.722 28.130 -15.535 577 HA ASP 78 HA ASP 78 -31.845 30.076 -16.317 578 1HB ASP 78 HB2 ASP 78 -32.289 27.706 -14.528 579 2HB ASP 78 HB3 ASP 78 -33.478 28.880 -14.978 580 H LYS 79 H LYS 79 -32.760 31.178 -14.311 581 HA LYS 79 HA LYS 79 -30.800 32.080 -12.447 582 1HB LYS 79 HB2 LYS 79 -33.853 32.137 -12.383 583 2HB LYS 79 HB3 LYS 79 -32.817 33.002 -11.233 584 1HG LYS 79 HG2 LYS 79 -31.810 34.307 -13.056 585 2HG LYS 79 HG3 LYS 79 -32.833 33.438 -14.257 586 1HD LYS 79 HD2 LYS 79 -34.860 34.323 -13.044 587 2HD LYS 79 HD3 LYS 79 -33.796 35.227 -11.959 588 1HE LYS 79 HE2 LYS 79 -32.899 36.492 -13.907 589 2HE LYS 79 HE3 LYS 79 -33.977 35.570 -14.984 590 1HZ LYS 79 HZ1 LYS 79 -34.912 37.361 -12.800 591 2HZ LYS 79 HZ2 LYS 79 -34.949 37.718 -14.388 592 3HZ LYS 79 HZ3 LYS 79 -35.882 36.502 -13.812 593 H SER 80 H SER 80 -32.525 29.097 -12.384 594 HA SER 80 HA SER 80 -32.265 28.587 -9.544 595 1HB SER 80 HB2 SER 80 -32.882 26.305 -10.203 596 2HB SER 80 HB3 SER 80 -33.983 27.509 -10.921 597 HG SER 80 HG SER 80 -33.390 25.971 -12.458 598 H ASP 81 H ASP 81 -29.956 28.686 -12.107 599 HA ASP 81 HA ASP 81 -28.059 26.899 -10.724 600 1HB ASP 81 HB2 ASP 81 -27.745 28.615 -13.226 601 2HB ASP 81 HB3 ASP 81 -26.524 27.529 -12.549 602 H GLU 82 H GLU 82 -29.061 30.044 -10.109 603 HA GLU 82 HA GLU 82 -26.509 31.204 -9.365 604 1HB GLU 82 HB2 GLU 82 -28.486 32.631 -9.665 605 2HB GLU 82 HB3 GLU 82 -29.314 31.833 -8.316 606 1HG GLU 82 HG2 GLU 82 -27.648 32.607 -6.747 607 2HG GLU 82 HG3 GLU 82 -26.667 33.280 -8.074 608 H ALA 83 H ALA 83 -25.184 30.472 -7.784 609 HA ALA 83 HA ALA 83 -26.222 29.034 -5.400 610 1HB ALA 83 HB1 ALA 83 -26.288 27.283 -7.171 611 2HB ALA 83 HB2 ALA 83 -24.637 27.762 -7.699 612 3HB ALA 83 HB3 ALA 83 -24.921 26.980 -6.106 613 H GLU 84 H GLU 84 -24.728 28.611 -3.861 614 HA GLU 84 HA GLU 84 -21.938 29.620 -4.182 615 1HB GLU 84 HB2 GLU 84 -23.162 30.947 -2.514 616 2HB GLU 84 HB3 GLU 84 -23.493 29.471 -1.579 617 1HG GLU 84 HG2 GLU 84 -21.219 29.188 -1.012 618 2HG GLU 84 HG3 GLU 84 -20.638 30.048 -2.423 619 H TYR 85 H TYR 85 -21.063 27.888 -4.968 620 HA TYR 85 HA TYR 85 -21.917 25.187 -4.377 621 1HB TYR 85 HB2 TYR 85 -19.872 26.458 -6.195 622 2HB TYR 85 HB3 TYR 85 -20.039 24.715 -6.065 623 HD1 TYR 85 HD1 TYR 85 -22.675 23.933 -6.279 624 HD2 TYR 85 HD2 TYR 85 -20.955 27.463 -8.017 625 HE1 TYR 85 HE1 TYR 85 -24.302 23.786 -8.177 626 HE2 TYR 85 HE2 TYR 85 -22.639 27.356 -9.848 627 HH TYR 85 HH TYR 85 -24.485 26.309 -10.698 628 H ILE 86 H ILE 86 -21.408 25.073 -2.112 629 HA ILE 86 HA ILE 86 -18.580 24.910 -1.294 630 HB ILE 86 HB ILE 86 -21.135 24.091 0.161 631 1HG1 ILE 86 2HG1 ILE 86 -19.377 26.577 0.457 632 2HG1 ILE 86 3HG1 ILE 86 -20.919 26.554 -0.381 633 1HG2 ILE 86 1HG2 ILE 86 -18.223 24.416 1.138 634 2HG2 ILE 86 2HG2 ILE 86 -19.617 24.092 2.174 635 3HG2 ILE 86 3HG2 ILE 86 -19.122 22.879 1.009 636 1HD1 ILE 86 1HD1 ILE 86 -22.047 25.811 1.764 637 2HD1 ILE 86 2HD1 ILE 86 -20.507 26.109 2.598 638 3HD1 ILE 86 3HD1 ILE 86 -21.316 27.446 1.786 639 H CYS 87 H CYS 87 -17.348 23.134 -1.506 640 HA CYS 87 HA CYS 87 -18.602 20.543 -2.196 641 1HB CYS 87 HB2 CYS 87 -16.915 20.176 -3.881 642 2HB CYS 87 HB3 CYS 87 -17.726 21.679 -4.168 643 H ILE 88 H ILE 88 -17.942 18.755 -1.268 644 HA ILE 88 HA ILE 88 -15.863 18.942 0.871 645 HB ILE 88 HB ILE 88 -18.588 17.595 0.933 646 1HG1 ILE 88 2HG1 ILE 88 -17.581 20.047 2.438 647 2HG1 ILE 88 3HG1 ILE 88 -18.765 20.040 1.132 648 1HG2 ILE 88 1HG2 ILE 88 -18.083 17.053 3.313 649 2HG2 ILE 88 2HG2 ILE 88 -16.899 16.301 2.258 650 3HG2 ILE 88 3HG2 ILE 88 -16.472 17.776 3.137 651 1HD1 ILE 88 1HD1 ILE 88 -19.174 18.903 3.908 652 2HD1 ILE 88 2HD1 ILE 88 -19.987 20.286 3.172 653 3HD1 ILE 88 3HD1 ILE 88 -20.285 18.633 2.553 654 H ALA 89 H ALA 89 -14.489 17.246 1.049 655 HA ALA 89 HA ALA 89 -15.079 14.772 -0.497 656 1HB ALA 89 HB1 ALA 89 -12.616 14.535 -0.828 657 2HB ALA 89 HB2 ALA 89 -13.277 15.934 -1.669 658 3HB ALA 89 HB3 ALA 89 -12.392 16.160 -0.149 659 H GLU 90 H GLU 90 -14.326 12.866 0.431 660 HA GLU 90 HA GLU 90 -13.533 12.821 3.314 661 1HB GLU 90 HB2 GLU 90 -15.999 13.060 3.177 662 2HB GLU 90 HB3 GLU 90 -16.105 11.710 2.050 663 1HG GLU 90 HG2 GLU 90 -15.293 10.173 3.799 664 2HG GLU 90 HG3 GLU 90 -15.084 11.511 4.923 665 H ASN 91 H ASN 91 -12.431 10.953 3.880 666 HA ASN 91 HA ASN 91 -12.836 8.507 2.360 667 1HB ASN 91 HB2 ASN 91 -10.677 8.026 1.611 668 2HB ASN 91 HB3 ASN 91 -11.005 9.671 1.068 669 1HD2 ASN 91 1HD2 ASN 91 -7.530 9.708 2.214 670 2HD2 ASN 91 2HD2 ASN 91 -8.472 8.986 0.901 671 H LYS 92 H LYS 92 -10.813 6.926 3.451 672 HA LYS 92 HA LYS 92 -11.877 6.486 6.108 673 1HB LYS 92 HB2 LYS 92 -9.593 4.861 5.844 674 2HB LYS 92 HB3 LYS 92 -11.255 4.384 5.676 675 1HG LYS 92 HG2 LYS 92 -9.462 5.349 3.390 676 2HG LYS 92 HG3 LYS 92 -9.722 3.661 3.861 677 1HD LYS 92 HD2 LYS 92 -11.722 5.543 2.520 678 2HD LYS 92 HD3 LYS 92 -11.000 4.045 1.915 679 1HE LYS 92 HE2 LYS 92 -12.147 2.748 3.674 680 2HE LYS 92 HE3 LYS 92 -12.932 4.197 4.262 681 1HZ LYS 92 HZ1 LYS 92 -14.390 2.991 2.730 682 2HZ LYS 92 HZ2 LYS 92 -13.991 4.434 2.071 683 3HZ LYS 92 HZ3 LYS 92 -13.292 3.053 1.546 684 H ALA 93 H ALA 93 -9.280 8.434 5.058 685 HA ALA 93 HA ALA 93 -7.845 8.366 7.668 686 1HB ALA 93 HB1 ALA 93 -6.532 8.123 5.626 687 2HB ALA 93 HB2 ALA 93 -7.154 9.635 4.975 688 3HB ALA 93 HB3 ALA 93 -6.119 9.632 6.406 689 H GLY 94 H GLY 94 -9.871 10.575 5.688 690 1HA GLY 94 HA2 GLY 94 -10.630 12.117 7.963 691 2HA GLY 94 HA3 GLY 94 -9.371 12.989 7.097 692 H GLU 95 H GLU 95 -10.741 14.663 6.746 693 HA GLU 95 HA GLU 95 -12.698 14.455 4.494 694 1HB GLU 95 HB2 GLU 95 -13.221 15.341 7.351 695 2HB GLU 95 HB3 GLU 95 -14.040 16.189 6.037 696 1HG GLU 95 HG2 GLU 95 -15.102 14.203 5.258 697 2HG GLU 95 HG3 GLU 95 -14.175 13.174 6.342 698 H GLN 96 H GLN 96 -13.030 16.505 3.501 699 HA GLN 96 HA GLN 96 -11.489 18.867 4.353 700 1HB GLN 96 HB2 GLN 96 -10.098 17.102 2.915 701 2HB GLN 96 HB3 GLN 96 -10.994 17.749 1.575 702 1HG GLN 96 HG2 GLN 96 -8.887 18.896 1.706 703 2HG GLN 96 HG3 GLN 96 -10.100 20.057 2.197 704 1HE2 GLN 96 1HE2 GLN 96 -7.977 17.543 3.657 705 2HE2 GLN 96 2HE2 GLN 96 -7.579 18.483 5.099 706 H ASP 97 H ASP 97 -11.907 20.807 2.886 707 HA ASP 97 HA ASP 97 -14.136 20.575 1.014 708 1HB ASP 97 HB2 ASP 97 -15.649 22.036 2.113 709 2HB ASP 97 HB3 ASP 97 -15.239 20.765 3.250 710 H ALA 98 H ALA 98 -14.638 22.379 -0.225 711 HA ALA 98 HA ALA 98 -13.115 24.891 -0.012 712 1HB ALA 98 HB1 ALA 98 -13.038 23.267 -2.569 713 2HB ALA 98 HB2 ALA 98 -12.298 24.869 -2.303 714 3HB ALA 98 HB3 ALA 98 -11.685 23.446 -1.447 715 H THR 99 H THR 99 -13.969 26.465 -1.933 716 HA THR 99 HA THR 99 -16.925 26.072 -2.332 717 HB THR 99 HB THR 99 -15.639 28.454 -0.955 718 HG1 THR 99 HG1 THR 99 -15.770 26.746 0.464 719 1HG2 THR 99 1HG2 THR 99 -18.051 29.008 -0.433 720 2HG2 THR 99 2HG2 THR 99 -17.612 29.187 -2.143 721 3HG2 THR 99 3HG2 THR 99 -18.545 27.761 -1.590 722 H ILE 100 H ILE 100 -17.622 26.771 -4.197 723 HA ILE 100 HA ILE 100 -16.220 28.952 -5.711 724 HB ILE 100 HB ILE 100 -18.223 27.424 -7.251 725 1HG1 ILE 100 2HG1 ILE 100 -15.676 25.896 -6.635 726 2HG1 ILE 100 3HG1 ILE 100 -17.287 25.468 -5.994 727 1HG2 ILE 100 1HG2 ILE 100 -16.626 27.692 -9.023 728 2HG2 ILE 100 2HG2 ILE 100 -16.608 29.200 -8.114 729 3HG2 ILE 100 3HG2 ILE 100 -15.304 28.022 -7.865 730 1HD1 ILE 100 1HD1 ILE 100 -16.464 25.422 -8.909 731 2HD1 ILE 100 2HD1 ILE 100 -16.879 24.061 -7.865 732 3HD1 ILE 100 3HD1 ILE 100 -18.143 25.241 -8.289 733 H HIS 101 H HIS 101 -17.930 30.178 -7.108 734 HA HIS 101 HA HIS 101 -20.653 30.222 -5.988 735 1HB HIS 101 HB2 HIS 101 -19.168 31.910 -4.805 736 2HB HIS 101 HB3 HIS 101 -19.038 32.775 -6.335 737 HD1 HIS 101 HD1 HIS 101 -21.195 32.618 -3.285 738 HD2 HIS 101 HD2 HIS 101 -21.496 33.738 -7.348 739 HE1 HIS 101 HE1 HIS 101 -23.244 34.095 -3.489 740 H LEU 102 H LEU 102 -22.206 30.942 -7.491 741 HA LEU 102 HA LEU 102 -21.329 31.773 -10.207 742 1HB LEU 102 HB2 LEU 102 -21.673 29.410 -10.332 743 2HB LEU 102 HB3 LEU 102 -23.235 29.519 -9.480 744 HG LEU 102 HG LEU 102 -24.235 30.609 -11.416 745 1HD1 LEU 102 1HD1 LEU 102 -21.522 30.519 -12.772 746 2HD1 LEU 102 2HD1 LEU 102 -23.053 31.027 -13.512 747 3HD1 LEU 102 3HD1 LEU 102 -22.359 31.997 -12.214 748 1HD2 LEU 102 1HD2 LEU 102 -23.957 28.862 -13.121 749 2HD2 LEU 102 2HD2 LEU 102 -22.474 28.271 -12.309 750 3HD2 LEU 102 3HD2 LEU 102 -24.057 28.169 -11.525 751 H LYS 103 H LYS 103 -22.116 33.745 -10.365 752 HA LYS 103 HA LYS 103 -24.872 34.481 -9.438 753 1HB LYS 103 HB2 LYS 103 -22.595 36.044 -10.722 754 2HB LYS 103 HB3 LYS 103 -24.193 36.717 -10.504 755 1HG LYS 103 HG2 LYS 103 -22.371 35.735 -8.254 756 2HG LYS 103 HG3 LYS 103 -22.593 37.418 -8.743 757 1HD LYS 103 HD2 LYS 103 -24.800 35.616 -7.634 758 2HD LYS 103 HD3 LYS 103 -23.858 36.784 -6.697 759 1HE LYS 103 HE2 LYS 103 -24.700 38.657 -7.976 760 2HE LYS 103 HE3 LYS 103 -25.488 37.598 -9.133 761 1HZ LYS 103 HZ1 LYS 103 -27.027 38.505 -7.465 762 2HZ LYS 103 HZ2 LYS 103 -27.021 36.872 -7.439 763 3HZ LYS 103 HZ3 LYS 103 -26.213 37.719 -6.272 764 H VAL 104 H VAL 104 -26.576 34.837 -10.767 765 HA VAL 104 HA VAL 104 -26.192 34.426 -13.698 766 HB VAL 104 HB VAL 104 -28.396 33.217 -12.019 767 1HG1 VAL 104 1HG1 VAL 104 -29.265 33.765 -14.248 768 2HG1 VAL 104 2HG1 VAL 104 -27.799 33.087 -15.007 769 3HG1 VAL 104 3HG1 VAL 104 -28.957 32.034 -14.168 770 1HG2 VAL 104 1HG2 VAL 104 -27.432 31.018 -12.745 771 2HG2 VAL 104 2HG2 VAL 104 -26.059 31.878 -13.472 772 3HG2 VAL 104 3HG2 VAL 104 -26.323 31.929 -11.722 773 H PHE 105 H PHE 105 -27.086 35.924 -14.953 774 HA PHE 105 HA PHE 105 -29.334 37.618 -13.984 775 1HB PHE 105 HB2 PHE 105 -28.200 39.292 -15.577 776 2HB PHE 105 HB3 PHE 105 -27.618 39.086 -13.920 777 HD1 PHE 105 HD1 PHE 105 -25.437 38.297 -13.473 778 HD2 PHE 105 HD2 PHE 105 -26.833 38.497 -17.551 779 HE1 PHE 105 HE1 PHE 105 -23.117 38.032 -14.284 780 HE2 PHE 105 HE2 PHE 105 -24.488 38.296 -18.354 781 HZ PHE 105 HZ PHE 105 -22.628 37.979 -16.733 782 H ALA 106 H ALA 106 -30.226 38.776 -16.207 783 HA ALA 106 HA ALA 106 -30.654 36.685 -18.256 784 1HB ALA 106 HB1 ALA 106 -32.227 36.190 -16.398 785 2HB ALA 106 HB2 ALA 106 -32.915 37.840 -16.539 786 3HB ALA 106 HB3 ALA 106 -33.108 36.666 -17.877 787 H LYS 107 H LYS 107 -29.400 39.160 -18.376 788 HA LYS 107 HA LYS 107 -30.397 40.244 -20.824 789 1HB LYS 107 HB2 LYS 107 -30.871 42.549 -20.061 790 2HB LYS 107 HB3 LYS 107 -32.052 41.403 -19.405 791 1HG LYS 107 HG2 LYS 107 -30.831 41.382 -17.240 792 2HG LYS 107 HG3 LYS 107 -29.689 42.596 -17.896 793 1HD LYS 107 HD2 LYS 107 -31.577 44.178 -18.203 794 2HD LYS 107 HD3 LYS 107 -32.713 42.978 -17.614 795 1HE LYS 107 HE2 LYS 107 -32.294 44.441 -15.801 796 2HE LYS 107 HE3 LYS 107 -31.488 42.899 -15.435 797 1HZ LYS 107 HZ1 LYS 107 -29.377 43.945 -16.128 798 2HZ LYS 107 HZ2 LYS 107 -30.134 45.357 -16.476 799 3HZ LYS 107 HZ3 LYS 107 -30.050 44.819 -14.938 Start of MODEL 17 1 1H GLY 1 H1 GLY 1 2.961 -2.497 1.804 2 2H GLY 1 H2 GLY 1 2.763 -3.143 3.300 3 3H GLY 1 H3 GLY 1 1.465 -2.624 2.411 4 1HA GLY 1 HA2 GLY 1 3.636 -0.902 3.430 5 2HA GLY 1 HA3 GLY 1 2.200 -0.364 2.546 6 H LYS 2 H LYS 2 1.714 1.016 4.338 7 HA LYS 2 HA LYS 2 -0.085 -0.102 6.355 8 1HB LYS 2 HB2 LYS 2 2.717 0.605 6.975 9 2HB LYS 2 HB3 LYS 2 1.597 1.625 7.876 10 1HG LYS 2 HG2 LYS 2 1.400 -1.412 7.833 11 2HG LYS 2 HG3 LYS 2 2.360 -0.504 9.025 12 1HD LYS 2 HD2 LYS 2 0.393 0.634 9.874 13 2HD LYS 2 HD3 LYS 2 -0.617 -0.095 8.636 14 1HE LYS 2 HE2 LYS 2 -0.964 -1.333 10.664 15 2HE LYS 2 HE3 LYS 2 -0.087 -2.364 9.544 16 1HZ LYS 2 HZ1 LYS 2 0.836 -2.452 11.786 17 2HZ LYS 2 HZ2 LYS 2 1.943 -1.872 10.780 18 3HZ LYS 2 HZ3 LYS 2 1.153 -0.843 11.773 19 H ASP 3 H ASP 3 -1.230 1.548 7.540 20 HA ASP 3 HA ASP 3 -1.869 3.872 5.834 21 1HB ASP 3 HB2 ASP 3 -3.270 2.650 8.246 22 2HB ASP 3 HB3 ASP 3 -3.934 3.876 7.169 23 H ILE 4 H ILE 4 -0.009 3.357 8.663 24 HA ILE 4 HA ILE 4 -0.866 5.774 10.114 25 HB ILE 4 HB ILE 4 1.166 3.624 10.751 26 1HG1 ILE 4 2HG1 ILE 4 -1.695 4.074 11.768 27 2HG1 ILE 4 3HG1 ILE 4 -1.210 2.839 10.597 28 1HG2 ILE 4 1HG2 ILE 4 0.025 5.808 12.560 29 2HG2 ILE 4 2HG2 ILE 4 1.097 4.498 13.067 30 3HG2 ILE 4 3HG2 ILE 4 1.714 5.704 11.973 31 1HD1 ILE 4 1HD1 ILE 4 0.260 1.788 12.326 32 2HD1 ILE 4 2HD1 ILE 4 -0.417 2.912 13.526 33 3HD1 ILE 4 3HD1 ILE 4 -1.483 1.777 12.723 34 H GLN 5 H GLN 5 2.026 4.738 8.362 35 HA GLN 5 HA GLN 5 3.097 7.451 8.322 36 1HB GLN 5 HB2 GLN 5 5.143 6.926 9.581 37 2HB GLN 5 HB3 GLN 5 3.699 6.809 10.581 38 1HG GLN 5 HG2 GLN 5 3.693 4.362 10.435 39 2HG GLN 5 HG3 GLN 5 5.053 4.391 9.324 40 1HE2 GLN 5 1HE2 GLN 5 6.287 3.710 12.809 41 2HE2 GLN 5 2HE2 GLN 5 5.052 2.974 11.803 42 H VAL 6 H VAL 6 2.374 5.687 6.303 43 HA VAL 6 HA VAL 6 4.929 5.477 4.756 44 HB VAL 6 HB VAL 6 2.798 3.314 4.606 45 1HG1 VAL 6 1HG1 VAL 6 4.088 3.495 2.539 46 2HG1 VAL 6 2HG1 VAL 6 5.621 3.503 3.451 47 3HG1 VAL 6 3HG1 VAL 6 4.628 2.057 3.405 48 1HG2 VAL 6 1HG2 VAL 6 4.444 1.815 5.690 49 2HG2 VAL 6 2HG2 VAL 6 5.473 3.211 6.061 50 3HG2 VAL 6 3HG2 VAL 6 3.870 3.077 6.783 51 H ILE 7 H ILE 7 4.641 5.778 2.483 52 HA ILE 7 HA ILE 7 2.484 7.638 1.886 53 HB ILE 7 HB ILE 7 4.653 6.645 0.004 54 1HG1 ILE 7 2HG1 ILE 7 5.809 7.636 1.889 55 2HG1 ILE 7 3HG1 ILE 7 5.871 8.735 0.533 56 1HG2 ILE 7 1HG2 ILE 7 2.849 7.737 -1.204 57 2HG2 ILE 7 2HG2 ILE 7 2.706 9.014 -0.003 58 3HG2 ILE 7 3HG2 ILE 7 4.123 8.928 -1.093 59 1HD1 ILE 7 1HD1 ILE 7 4.090 10.166 1.557 60 2HD1 ILE 7 2HD1 ILE 7 4.038 9.034 2.965 61 3HD1 ILE 7 3HD1 ILE 7 5.499 9.972 2.605 62 H VAL 8 H VAL 8 0.781 6.380 2.154 63 HA VAL 8 HA VAL 8 -0.289 4.879 -0.170 64 HB VAL 8 HB VAL 8 -0.479 3.750 2.650 65 1HG1 VAL 8 1HG1 VAL 8 -2.377 3.165 1.175 66 2HG1 VAL 8 2HG1 VAL 8 -1.252 2.601 -0.068 67 3HG1 VAL 8 3HG1 VAL 8 -1.323 1.738 1.467 68 1HG2 VAL 8 1HG2 VAL 8 1.334 2.821 0.389 69 2HG2 VAL 8 2HG2 VAL 8 1.832 3.401 1.984 70 3HG2 VAL 8 3HG2 VAL 8 0.973 1.877 1.880 71 H ASN 9 H ASN 9 -0.807 6.282 3.020 72 HA ASN 9 HA ASN 9 -3.630 7.015 2.357 73 1HB ASN 9 HB2 ASN 9 -2.031 6.760 4.895 74 2HB ASN 9 HB3 ASN 9 -3.398 7.846 4.835 75 1HD2 ASN 9 1HD2 ASN 9 -2.881 4.554 3.439 76 2HD2 ASN 9 2HD2 ASN 9 -4.257 3.863 4.295 77 H VAL 10 H VAL 10 -4.163 8.981 1.768 78 HA VAL 10 HA VAL 10 -2.563 11.395 2.389 79 HB VAL 10 HB VAL 10 -3.450 10.602 -0.405 80 1HG1 VAL 10 1HG1 VAL 10 -3.765 13.022 -0.097 81 2HG1 VAL 10 2HG1 VAL 10 -2.114 13.154 0.569 82 3HG1 VAL 10 3HG1 VAL 10 -2.391 12.730 -1.138 83 1HG2 VAL 10 1HG2 VAL 10 -1.323 9.527 0.171 84 2HG2 VAL 10 2HG2 VAL 10 -1.027 10.798 -1.000 85 3HG2 VAL 10 3HG2 VAL 10 -0.677 11.075 0.726 86 HA PRO 11 HA PRO 11 -6.868 12.306 3.349 87 1HB PRO 11 HB2 PRO 11 -5.664 15.095 3.511 88 2HB PRO 11 HB3 PRO 11 -6.864 14.344 4.590 89 1HG PRO 11 HG2 PRO 11 -4.285 14.416 5.345 90 2HG PRO 11 HG3 PRO 11 -5.193 12.871 5.499 91 1HD PRO 11 HD2 PRO 11 -3.295 13.678 3.294 92 2HD PRO 11 HD3 PRO 11 -3.412 12.133 4.217 93 HA PRO 12 HA PRO 12 -8.504 13.992 -0.444 94 1HB PRO 12 HB2 PRO 12 -10.797 15.271 0.912 95 2HB PRO 12 HB3 PRO 12 -10.783 13.907 -0.241 96 1HG PRO 12 HG2 PRO 12 -11.296 13.597 2.440 97 2HG PRO 12 HG3 PRO 12 -10.441 12.339 1.479 98 1HD PRO 12 HD2 PRO 12 -9.261 14.552 3.221 99 2HD PRO 12 HD3 PRO 12 -8.895 12.816 3.264 100 H SER 13 H SER 13 -7.374 15.665 -1.284 101 HA SER 13 HA SER 13 -6.983 18.210 0.190 102 1HB SER 13 HB2 SER 13 -5.694 17.133 -2.333 103 2HB SER 13 HB3 SER 13 -5.227 18.593 -1.482 104 HG SER 13 HG SER 13 -5.210 16.003 -0.296 105 H VAL 14 H VAL 14 -9.583 18.143 -0.438 106 HA VAL 14 HA VAL 14 -10.192 19.082 -3.088 107 HB VAL 14 HB VAL 14 -11.834 17.886 -1.778 108 1HG1 VAL 14 1HG1 VAL 14 -12.169 20.343 0.000 109 2HG1 VAL 14 2HG1 VAL 14 -13.087 18.838 0.057 110 3HG1 VAL 14 3HG1 VAL 14 -11.356 18.832 0.492 111 1HG2 VAL 14 1HG2 VAL 14 -12.539 19.487 -3.564 112 2HG2 VAL 14 2HG2 VAL 14 -13.769 19.188 -2.335 113 3HG2 VAL 14 3HG2 VAL 14 -12.840 20.693 -2.298 114 H ARG 15 H ARG 15 -10.050 20.927 -3.986 115 HA ARG 15 HA ARG 15 -10.213 23.464 -2.425 116 1HB ARG 15 HB2 ARG 15 -8.260 22.713 -4.609 117 2HB ARG 15 HB3 ARG 15 -8.694 24.391 -4.395 118 1HG ARG 15 HG2 ARG 15 -7.239 22.623 -2.447 119 2HG ARG 15 HG3 ARG 15 -6.694 24.061 -3.304 120 1HD ARG 15 HD2 ARG 15 -6.909 24.859 -1.158 121 2HD ARG 15 HD3 ARG 15 -8.392 25.409 -1.973 122 HE ARG 15 HE ARG 15 -8.753 22.835 -0.681 123 1HH1 ARG 15 1HH1 ARG 15 -8.734 26.251 0.212 124 2HH1 ARG 15 2HH1 ARG 15 -9.917 25.926 1.467 125 1HH2 ARG 15 1HH2 ARG 15 -10.220 22.615 0.637 126 2HH2 ARG 15 2HH2 ARG 15 -10.863 23.893 1.641 127 H ALA 16 H ALA 16 -10.513 25.276 -3.892 128 HA ALA 16 HA ALA 16 -12.838 24.825 -5.707 129 1HB ALA 16 HB1 ALA 16 -11.822 27.284 -4.232 130 2HB ALA 16 HB2 ALA 16 -13.114 27.315 -5.439 131 3HB ALA 16 HB3 ALA 16 -13.332 26.366 -3.954 132 H ARG 17 H ARG 17 -12.421 24.695 -7.807 133 HA ARG 17 HA ARG 17 -9.816 25.521 -8.857 134 1HB ARG 17 HB2 ARG 17 -11.291 23.379 -9.437 135 2HB ARG 17 HB3 ARG 17 -11.940 24.442 -10.688 136 1HG ARG 17 HG2 ARG 17 -9.566 24.893 -11.473 137 2HG ARG 17 HG3 ARG 17 -8.997 23.838 -10.195 138 1HD ARG 17 HD2 ARG 17 -8.876 22.631 -12.245 139 2HD ARG 17 HD3 ARG 17 -10.088 21.915 -11.193 140 HE ARG 17 HE ARG 17 -11.468 22.023 -13.003 141 1HH1 ARG 17 1HH1 ARG 17 -11.984 22.417 -15.139 142 2HH1 ARG 17 2HH1 ARG 17 -11.604 23.989 -15.791 143 1HH2 ARG 17 1HH2 ARG 17 -9.549 24.958 -13.265 144 2HH2 ARG 17 2HH2 ARG 17 -10.181 25.331 -14.835 145 H GLN 18 H GLN 18 -12.651 27.147 -8.431 146 HA GLN 18 HA GLN 18 -11.686 29.560 -9.695 147 1HB GLN 18 HB2 GLN 18 -13.691 27.957 -11.115 148 2HB GLN 18 HB3 GLN 18 -14.400 29.453 -10.549 149 1HG GLN 18 HG2 GLN 18 -11.780 29.365 -12.093 150 2HG GLN 18 HG3 GLN 18 -13.353 29.484 -12.884 151 1HE2 GLN 18 1HE2 GLN 18 -13.822 32.917 -12.006 152 2HE2 GLN 18 2HE2 GLN 18 -14.548 31.462 -12.698 153 H SER 19 H SER 19 -12.814 31.452 -8.818 154 HA SER 19 HA SER 19 -13.880 30.883 -6.102 155 1HB SER 19 HB2 SER 19 -13.531 33.299 -5.765 156 2HB SER 19 HB3 SER 19 -12.044 32.440 -6.209 157 HG SER 19 HG SER 19 -12.270 34.390 -7.389 158 H THR 20 H THR 20 -14.803 32.798 -8.908 159 HA THR 20 HA THR 20 -17.712 32.713 -8.220 160 HB THR 20 HB THR 20 -16.115 35.239 -8.742 161 HG1 THR 20 HG1 THR 20 -16.747 35.750 -6.691 162 1HG2 THR 20 1HG2 THR 20 -19.120 34.811 -8.309 163 2HG2 THR 20 2HG2 THR 20 -18.307 36.407 -8.342 164 3HG2 THR 20 3HG2 THR 20 -18.355 35.401 -9.786 165 H MET 21 H MET 21 -18.574 31.765 -9.908 166 HA MET 21 HA MET 21 -17.704 32.308 -12.703 167 1HB MET 21 HB2 MET 21 -19.561 30.242 -11.436 168 2HB MET 21 HB3 MET 21 -19.283 30.393 -13.177 169 1HG MET 21 HG2 MET 21 -17.149 29.776 -11.070 170 2HG MET 21 HG3 MET 21 -17.890 28.595 -12.130 171 1HE MET 21 HE1 MET 21 -17.553 28.395 -14.655 172 2HE MET 21 HE2 MET 21 -17.956 30.095 -15.003 173 3HE MET 21 HE3 MET 21 -16.457 29.391 -15.632 174 H ASN 22 H ASN 22 -19.458 32.588 -14.320 175 HA ASN 22 HA ASN 22 -22.037 33.645 -13.507 176 1HB ASN 22 HB2 ASN 22 -21.730 35.904 -14.369 177 2HB ASN 22 HB3 ASN 22 -20.672 35.613 -13.015 178 1HD2 ASN 22 1HD2 ASN 22 -17.705 36.130 -14.948 179 2HD2 ASN 22 2HD2 ASN 22 -18.374 35.643 -13.389 180 H ALA 23 H ALA 23 -23.437 34.150 -15.345 181 HA ALA 23 HA ALA 23 -22.651 33.567 -18.058 182 1HB ALA 23 HB1 ALA 23 -24.106 31.392 -16.476 183 2HB ALA 23 HB2 ALA 23 -24.019 31.434 -18.246 184 3HB ALA 23 HB3 ALA 23 -22.549 31.269 -17.312 185 H THR 24 H THR 24 -24.533 33.442 -19.532 186 HA THR 24 HA THR 24 -26.491 35.504 -18.709 187 HB THR 24 HB THR 24 -26.151 34.395 -21.525 188 HG1 THR 24 HG1 THR 24 -24.135 35.155 -20.803 189 1HG2 THR 24 1HG2 THR 24 -26.914 36.706 -22.067 190 2HG2 THR 24 2HG2 THR 24 -28.113 35.780 -21.160 191 3HG2 THR 24 3HG2 THR 24 -27.153 37.011 -20.338 192 H ALA 25 H ALA 25 -28.514 34.963 -18.149 193 HA ALA 25 HA ALA 25 -29.498 32.280 -18.405 194 1HB ALA 25 HB1 ALA 25 -30.013 33.808 -16.495 195 2HB ALA 25 HB2 ALA 25 -30.869 34.895 -17.592 196 3HB ALA 25 HB3 ALA 25 -31.502 33.279 -17.286 197 H ASN 26 H ASN 26 -31.203 31.437 -19.495 198 HA ASN 26 HA ASN 26 -32.830 31.053 -20.940 199 1HB ASN 26 HB2 ASN 26 -33.759 33.066 -19.693 200 2HB ASN 26 HB3 ASN 26 -33.312 34.047 -21.089 201 1HD2 ASN 26 1HD2 ASN 26 -36.447 31.339 -21.266 202 2HD2 ASN 26 2HD2 ASN 26 -35.091 31.074 -20.147 203 H LEU 27 H LEU 27 -30.048 32.200 -22.012 204 HA LEU 27 HA LEU 27 -30.771 32.284 -24.913 205 1HB LEU 27 HB2 LEU 27 -28.105 32.755 -23.541 206 2HB LEU 27 HB3 LEU 27 -28.440 32.889 -25.271 207 HG LEU 27 HG LEU 27 -29.484 34.705 -23.063 208 1HD1 LEU 27 1HD1 LEU 27 -27.115 35.006 -23.823 209 2HD1 LEU 27 2HD1 LEU 27 -27.717 35.263 -25.470 210 3HD1 LEU 27 3HD1 LEU 27 -28.157 36.395 -24.171 211 1HD2 LEU 27 1HD2 LEU 27 -30.119 34.738 -26.044 212 2HD2 LEU 27 2HD2 LEU 27 -31.282 34.480 -24.748 213 3HD2 LEU 27 3HD2 LEU 27 -30.490 36.057 -24.892 214 H SER 28 H SER 28 -30.597 29.889 -22.844 215 HA SER 28 HA SER 28 -30.057 27.703 -22.818 216 1HB SER 28 HB2 SER 28 -29.819 27.942 -25.848 217 2HB SER 28 HB3 SER 28 -29.930 26.440 -24.911 218 HG SER 28 HG SER 28 -31.967 27.217 -25.774 219 H GLN 29 H GLN 29 -27.904 29.593 -22.414 220 HA GLN 29 HA GLN 29 -25.491 28.710 -23.652 221 1HB GLN 29 HB2 GLN 29 -26.147 30.940 -22.496 222 2HB GLN 29 HB3 GLN 29 -25.625 30.153 -21.000 223 1HG GLN 29 HG2 GLN 29 -23.357 29.951 -21.878 224 2HG GLN 29 HG3 GLN 29 -23.913 30.414 -23.503 225 1HE2 GLN 29 1HE2 GLN 29 -23.409 33.841 -22.850 226 2HE2 GLN 29 2HE2 GLN 29 -23.556 32.562 -24.027 227 H SER 30 H SER 30 -23.599 27.935 -22.378 228 HA SER 30 HA SER 30 -24.212 25.842 -20.330 229 1HB SER 30 HB2 SER 30 -22.648 24.323 -21.490 230 2HB SER 30 HB3 SER 30 -24.085 24.687 -22.470 231 HG SER 30 HG SER 30 -22.131 24.810 -23.682 232 H VAL 31 H VAL 31 -22.426 25.130 -19.106 233 HA VAL 31 HA VAL 31 -20.100 27.003 -18.842 234 HB VAL 31 HB VAL 31 -22.117 26.623 -16.602 235 1HG1 VAL 31 1HG1 VAL 31 -19.865 26.915 -15.672 236 2HG1 VAL 31 2HG1 VAL 31 -19.565 28.308 -16.742 237 3HG1 VAL 31 3HG1 VAL 31 -20.787 28.393 -15.450 238 1HG2 VAL 31 1HG2 VAL 31 -21.556 29.157 -18.201 239 2HG2 VAL 31 2HG2 VAL 31 -23.059 28.208 -18.263 240 3HG2 VAL 31 3HG2 VAL 31 -22.617 28.989 -16.757 241 H THR 32 H THR 32 -18.297 25.939 -18.129 242 HA THR 32 HA THR 32 -18.624 23.422 -16.557 243 HB THR 32 HB THR 32 -16.101 24.394 -17.929 244 HG1 THR 32 HG1 THR 32 -16.547 22.850 -19.475 245 1HG2 THR 32 1HG2 THR 32 -15.406 21.998 -17.614 246 2HG2 THR 32 2HG2 THR 32 -15.575 22.872 -16.097 247 3HG2 THR 32 3HG2 THR 32 -16.852 21.756 -16.618 248 H LEU 33 H LEU 33 -17.939 23.381 -14.498 249 HA LEU 33 HA LEU 33 -16.002 25.298 -13.419 250 1HB LEU 33 HB2 LEU 33 -17.586 26.051 -11.637 251 2HB LEU 33 HB3 LEU 33 -17.906 26.645 -13.245 252 HG LEU 33 HG LEU 33 -19.815 25.062 -13.527 253 1HD1 LEU 33 1HD1 LEU 33 -19.187 24.410 -10.619 254 2HD1 LEU 33 2HD1 LEU 33 -20.739 24.077 -11.392 255 3HD1 LEU 33 3HD1 LEU 33 -19.283 23.277 -11.986 256 1HD2 LEU 33 1HD2 LEU 33 -21.258 26.261 -11.920 257 2HD2 LEU 33 2HD2 LEU 33 -19.841 26.893 -11.086 258 3HD2 LEU 33 3HD2 LEU 33 -20.163 27.333 -12.774 259 H ALA 34 H ALA 34 -15.434 24.698 -11.069 260 HA ALA 34 HA ALA 34 -16.006 21.910 -10.463 261 1HB ALA 34 HB1 ALA 34 -13.766 21.061 -11.033 262 2HB ALA 34 HB2 ALA 34 -14.362 21.933 -12.468 263 3HB ALA 34 HB3 ALA 34 -13.187 22.692 -11.394 264 H CYS 35 H CYS 35 -15.347 21.051 -8.661 265 HA CYS 35 HA CYS 35 -13.650 22.627 -6.751 266 1HB CYS 35 HB2 CYS 35 -16.038 22.402 -6.062 267 2HB CYS 35 HB3 CYS 35 -15.855 20.632 -6.068 268 H ASP 36 H ASP 36 -11.643 21.741 -7.037 269 HA ASP 36 HA ASP 36 -11.330 19.059 -8.123 270 1HB ASP 36 HB2 ASP 36 -9.038 19.600 -8.434 271 2HB ASP 36 HB3 ASP 36 -10.120 20.782 -9.134 272 H ALA 37 H ALA 37 -12.134 17.776 -6.462 273 HA ALA 37 HA ALA 37 -10.453 17.365 -4.056 274 1HB ALA 37 HB1 ALA 37 -12.867 15.824 -5.140 275 2HB ALA 37 HB2 ALA 37 -12.118 15.606 -3.551 276 3HB ALA 37 HB3 ALA 37 -12.941 17.116 -3.940 277 H ASP 38 H ASP 38 -9.027 15.773 -3.760 278 HA ASP 38 HA ASP 38 -8.837 13.405 -5.440 279 1HB ASP 38 HB2 ASP 38 -7.606 15.095 -6.793 280 2HB ASP 38 HB3 ASP 38 -6.657 15.559 -5.391 281 H GLY 39 H GLY 39 -7.218 11.871 -4.430 282 1HA GLY 39 HA2 GLY 39 -5.689 12.261 -2.102 283 2HA GLY 39 HA3 GLY 39 -7.303 11.879 -1.536 284 H PHE 40 H PHE 40 -5.620 10.129 -0.729 285 HA PHE 40 HA PHE 40 -5.952 7.721 -2.458 286 1HB PHE 40 HB2 PHE 40 -3.328 8.550 -1.239 287 2HB PHE 40 HB3 PHE 40 -3.675 7.002 -1.976 288 HD1 PHE 40 HD1 PHE 40 -2.970 10.536 -2.637 289 HD2 PHE 40 HD2 PHE 40 -4.077 6.786 -4.400 290 HE1 PHE 40 HE1 PHE 40 -2.338 11.446 -4.851 291 HE2 PHE 40 HE2 PHE 40 -3.468 7.695 -6.663 292 HZ PHE 40 HZ PHE 40 -2.575 9.991 -6.880 293 HA PRO 41 HA PRO 41 -6.616 5.505 -2.196 294 1HB PRO 41 HB2 PRO 41 -8.987 4.923 -0.428 295 2HB PRO 41 HB3 PRO 41 -8.141 3.854 -1.612 296 1HG PRO 41 HG2 PRO 41 -7.661 3.568 1.043 297 2HG PRO 41 HG3 PRO 41 -6.280 3.562 -0.119 298 1HD PRO 41 HD2 PRO 41 -7.320 5.901 1.526 299 2HD PRO 41 HD3 PRO 41 -5.645 5.317 1.356 300 H GLU 42 H GLU 42 -8.483 5.818 -3.627 301 HA GLU 42 HA GLU 42 -9.058 8.426 -4.280 302 1HB GLU 42 HB2 GLU 42 -10.767 5.961 -4.804 303 2HB GLU 42 HB3 GLU 42 -10.967 7.525 -5.608 304 1HG GLU 42 HG2 GLU 42 -8.665 7.366 -6.527 305 2HG GLU 42 HG3 GLU 42 -8.468 5.797 -5.767 306 HA PRO 43 HA PRO 43 -11.821 9.583 -1.057 307 1HB PRO 43 HB2 PRO 43 -12.313 12.210 -1.644 308 2HB PRO 43 HB3 PRO 43 -10.677 11.618 -1.188 309 1HG PRO 43 HG2 PRO 43 -11.835 12.033 -3.971 310 2HG PRO 43 HG3 PRO 43 -10.288 12.660 -3.333 311 1HD PRO 43 HD2 PRO 43 -10.401 10.336 -4.789 312 2HD PRO 43 HD3 PRO 43 -9.273 10.518 -3.392 313 H THR 44 H THR 44 -13.878 10.246 -0.490 314 HA THR 44 HA THR 44 -16.065 9.912 -2.561 315 HB THR 44 HB THR 44 -16.214 9.807 0.497 316 HG1 THR 44 HG1 THR 44 -15.198 7.996 -0.383 317 1HG2 THR 44 1HG2 THR 44 -18.351 10.518 -0.467 318 2HG2 THR 44 2HG2 THR 44 -18.302 9.190 -1.656 319 3HG2 THR 44 3HG2 THR 44 -18.460 8.846 0.091 320 H MET 45 H MET 45 -17.178 11.804 -3.096 321 HA MET 45 HA MET 45 -17.182 14.047 -1.190 322 1HB MET 45 HB2 MET 45 -16.115 15.600 -2.682 323 2HB MET 45 HB3 MET 45 -15.079 14.208 -2.521 324 1HG MET 45 HG2 MET 45 -14.920 14.561 -4.775 325 2HG MET 45 HG3 MET 45 -16.207 13.362 -4.698 326 1HE MET 45 HE1 MET 45 -16.691 17.852 -5.757 327 2HE MET 45 HE2 MET 45 -16.217 17.347 -4.135 328 3HE MET 45 HE3 MET 45 -15.156 17.000 -5.524 329 H THR 46 H THR 46 -18.620 15.699 -1.593 330 HA THR 46 HA THR 46 -20.534 15.599 -3.805 331 HB THR 46 HB THR 46 -22.525 15.655 -2.288 332 HG1 THR 46 HG1 THR 46 -22.329 14.840 -0.205 333 1HG2 THR 46 1HG2 THR 46 -22.828 13.331 -1.941 334 2HG2 THR 46 2HG2 THR 46 -21.931 13.574 -3.470 335 3HG2 THR 46 3HG2 THR 46 -21.070 13.027 -1.994 336 H TRP 47 H TRP 47 -22.187 17.402 -3.500 337 HA TRP 47 HA TRP 47 -21.329 19.692 -1.964 338 1HB TRP 47 HB2 TRP 47 -20.910 21.141 -3.998 339 2HB TRP 47 HB3 TRP 47 -19.702 20.012 -3.467 340 HD1 TRP 47 HD1 TRP 47 -19.407 17.672 -4.917 341 HE1 TRP 47 HE1 TRP 47 -18.692 17.725 -7.360 342 HE3 TRP 47 HE3 TRP 47 -21.316 22.240 -6.201 343 HZ2 TRP 47 HZ2 TRP 47 -18.532 19.684 -9.445 344 HZ3 TRP 47 HZ3 TRP 47 -20.741 23.219 -8.399 345 HH2 TRP 47 HH2 TRP 47 -19.326 21.960 -10.014 346 H THR 48 H THR 48 -22.605 21.631 -2.219 347 HA THR 48 HA THR 48 -25.463 20.879 -2.766 348 HB THR 48 HB THR 48 -26.093 22.188 -0.843 349 HG1 THR 48 HG1 THR 48 -24.510 23.090 0.489 350 1HG2 THR 48 1HG2 THR 48 -25.337 19.808 -0.453 351 2HG2 THR 48 2HG2 THR 48 -23.741 20.426 0.015 352 3HG2 THR 48 3HG2 THR 48 -25.191 20.868 0.945 353 H LYS 49 H LYS 49 -26.933 22.400 -3.351 354 HA LYS 49 HA LYS 49 -25.914 24.801 -4.822 355 1HB LYS 49 HB2 LYS 49 -27.354 22.990 -5.939 356 2HB LYS 49 HB3 LYS 49 -28.699 23.568 -4.966 357 1HG LYS 49 HG2 LYS 49 -28.260 25.896 -5.894 358 2HG LYS 49 HG3 LYS 49 -27.140 25.090 -7.030 359 1HD LYS 49 HD2 LYS 49 -28.967 23.690 -7.875 360 2HD LYS 49 HD3 LYS 49 -30.100 24.408 -6.725 361 1HE LYS 49 HE2 LYS 49 -28.629 25.900 -8.965 362 2HE LYS 49 HE3 LYS 49 -30.283 25.265 -9.070 363 1HZ LYS 49 HZ1 LYS 49 -30.480 27.527 -8.525 364 2HZ LYS 49 HZ2 LYS 49 -30.806 26.757 -7.110 365 3HZ LYS 49 HZ3 LYS 49 -29.356 27.512 -7.347 366 H ASP 50 H ASP 50 -25.527 25.726 -2.620 367 HA ASP 50 HA ASP 50 -25.936 27.126 -0.923 368 1HB ASP 50 HB2 ASP 50 -27.099 28.493 -2.582 369 2HB ASP 50 HB3 ASP 50 -28.638 27.718 -2.192 370 H GLY 51 H GLY 51 -27.634 24.280 -1.196 371 1HA GLY 51 HA2 GLY 51 -27.642 23.767 1.550 372 2HA GLY 51 HA3 GLY 51 -29.275 24.338 1.197 373 H GLU 52 H GLU 52 -29.465 23.127 -1.443 374 HA GLU 52 HA GLU 52 -30.155 20.386 -0.599 375 1HB GLU 52 HB2 GLU 52 -31.434 20.278 -2.655 376 2HB GLU 52 HB3 GLU 52 -31.841 21.719 -1.718 377 1HG GLU 52 HG2 GLU 52 -30.395 23.057 -3.307 378 2HG GLU 52 HG3 GLU 52 -30.086 21.587 -4.230 379 HA PRO 53 HA PRO 53 -26.579 18.657 -2.411 380 1HB PRO 53 HB2 PRO 53 -27.162 16.033 -2.736 381 2HB PRO 53 HB3 PRO 53 -27.170 16.831 -1.129 382 1HG PRO 53 HG2 PRO 53 -29.570 16.282 -2.918 383 2HG PRO 53 HG3 PRO 53 -29.398 15.938 -1.170 384 1HD PRO 53 HD2 PRO 53 -30.627 18.197 -2.067 385 2HD PRO 53 HD3 PRO 53 -29.658 18.176 -0.569 386 H ILE 54 H ILE 54 -25.540 18.599 -4.213 387 HA ILE 54 HA ILE 54 -26.777 18.062 -6.864 388 HB ILE 54 HB ILE 54 -24.033 19.228 -6.314 389 1HG1 ILE 54 2HG1 ILE 54 -26.421 20.983 -6.997 390 2HG1 ILE 54 3HG1 ILE 54 -25.996 20.678 -5.305 391 1HG2 ILE 54 1HG2 ILE 54 -24.274 20.181 -8.626 392 2HG2 ILE 54 2HG2 ILE 54 -24.437 18.427 -8.636 393 3HG2 ILE 54 3HG2 ILE 54 -25.872 19.414 -8.760 394 1HD1 ILE 54 1HD1 ILE 54 -23.762 21.569 -5.599 395 2HD1 ILE 54 2HD1 ILE 54 -24.060 21.888 -7.333 396 3HD1 ILE 54 3HD1 ILE 54 -25.006 22.754 -6.126 397 H GLU 55 H GLU 55 -26.636 15.870 -5.299 398 HA GLU 55 HA GLU 55 -24.136 14.577 -5.181 399 1HB GLU 55 HB2 GLU 55 -25.366 12.654 -4.402 400 2HB GLU 55 HB3 GLU 55 -25.902 14.155 -3.584 401 1HG GLU 55 HG2 GLU 55 -27.913 14.185 -5.096 402 2HG GLU 55 HG3 GLU 55 -27.382 12.658 -5.788 403 H GLN 56 H GLN 56 -23.224 12.865 -6.193 404 HA GLN 56 HA GLN 56 -23.427 12.915 -8.982 405 1HB GLN 56 HB2 GLN 56 -21.889 11.032 -7.155 406 2HB GLN 56 HB3 GLN 56 -21.629 11.212 -8.895 407 1HG GLN 56 HG2 GLN 56 -21.031 13.625 -8.511 408 2HG GLN 56 HG3 GLN 56 -21.192 13.374 -6.780 409 1HE2 GLN 56 1HE2 GLN 56 -17.898 12.129 -6.498 410 2HE2 GLN 56 2HE2 GLN 56 -19.260 12.843 -5.676 411 H GLU 57 H GLU 57 -25.277 11.046 -6.847 412 HA GLU 57 HA GLU 57 -25.596 8.755 -8.723 413 1HB GLU 57 HB2 GLU 57 -26.266 9.015 -5.772 414 2HB GLU 57 HB3 GLU 57 -26.543 7.586 -6.762 415 1HG GLU 57 HG2 GLU 57 -24.128 7.411 -7.264 416 2HG GLU 57 HG3 GLU 57 -23.817 8.785 -6.196 417 H ASP 58 H ASP 58 -27.222 11.596 -8.102 418 HA ASP 58 HA ASP 58 -29.777 10.509 -9.145 419 1HB ASP 58 HB2 ASP 58 -29.768 10.078 -6.684 420 2HB ASP 58 HB3 ASP 58 -29.616 11.814 -6.411 421 H ASN 59 H ASN 59 -27.751 13.370 -8.638 422 HA ASN 59 HA ASN 59 -29.968 15.044 -9.700 423 1HB ASN 59 HB2 ASN 59 -29.120 15.541 -7.363 424 2HB ASN 59 HB3 ASN 59 -27.594 16.038 -8.121 425 1HD2 ASN 59 1HD2 ASN 59 -29.795 19.044 -7.813 426 2HD2 ASN 59 2HD2 ASN 59 -29.032 17.921 -6.666 427 H GLU 60 H GLU 60 -29.719 14.864 -11.809 428 HA GLU 60 HA GLU 60 -27.192 15.694 -13.158 429 1HB GLU 60 HB2 GLU 60 -27.685 13.165 -12.554 430 2HB GLU 60 HB3 GLU 60 -28.919 13.273 -13.819 431 1HG GLU 60 HG2 GLU 60 -27.126 13.898 -15.451 432 2HG GLU 60 HG3 GLU 60 -25.940 13.820 -14.130 433 H GLU 61 H GLU 61 -30.154 16.682 -12.811 434 HA GLU 61 HA GLU 61 -31.710 16.345 -15.062 435 1HB GLU 61 HB2 GLU 61 -31.591 18.826 -13.317 436 2HB GLU 61 HB3 GLU 61 -32.888 18.397 -14.446 437 1HG GLU 61 HG2 GLU 61 -33.223 16.227 -13.164 438 2HG GLU 61 HG3 GLU 61 -32.104 16.823 -11.948 439 H LYS 62 H LYS 62 -29.082 18.634 -14.942 440 HA LYS 62 HA LYS 62 -29.024 18.654 -17.839 441 1HB LYS 62 HB2 LYS 62 -29.205 21.057 -18.282 442 2HB LYS 62 HB3 LYS 62 -30.702 20.409 -17.630 443 1HG LYS 62 HG2 LYS 62 -30.003 21.311 -15.330 444 2HG LYS 62 HG3 LYS 62 -28.689 22.165 -16.176 445 1HD LYS 62 HD2 LYS 62 -30.477 23.081 -17.778 446 2HD LYS 62 HD3 LYS 62 -31.675 22.512 -16.598 447 1HE LYS 62 HE2 LYS 62 -30.611 23.864 -14.830 448 2HE LYS 62 HE3 LYS 62 -29.318 24.318 -15.948 449 1HZ LYS 62 HZ1 LYS 62 -30.982 25.489 -17.293 450 2HZ LYS 62 HZ2 LYS 62 -32.169 25.159 -16.187 451 3HZ LYS 62 HZ3 LYS 62 -30.856 26.072 -15.769 452 H TYR 63 H TYR 63 -27.310 17.586 -16.142 453 HA TYR 63 HA TYR 63 -24.910 18.972 -16.853 454 1HB TYR 63 HB2 TYR 63 -24.207 18.655 -14.225 455 2HB TYR 63 HB3 TYR 63 -24.621 20.160 -14.992 456 HD1 TYR 63 HD1 TYR 63 -25.811 17.638 -12.560 457 HD2 TYR 63 HD2 TYR 63 -26.639 21.355 -14.572 458 HE1 TYR 63 HE1 TYR 63 -27.529 18.213 -10.847 459 HE2 TYR 63 HE2 TYR 63 -28.347 21.921 -12.885 460 HH TYR 63 HH TYR 63 -29.451 21.242 -11.010 461 H SER 64 H SER 64 -22.949 17.875 -16.425 462 HA SER 64 HA SER 64 -22.926 15.085 -15.535 463 1HB SER 64 HB2 SER 64 -21.991 14.241 -17.654 464 2HB SER 64 HB3 SER 64 -23.673 14.751 -17.805 465 HG SER 64 HG SER 64 -22.377 15.486 -19.556 466 H PHE 65 H PHE 65 -20.890 14.428 -14.908 467 HA PHE 65 HA PHE 65 -18.630 16.309 -15.131 468 1HB PHE 65 HB2 PHE 65 -18.520 15.928 -12.633 469 2HB PHE 65 HB3 PHE 65 -20.024 16.666 -13.241 470 HD1 PHE 65 HD1 PHE 65 -18.591 13.407 -12.050 471 HD2 PHE 65 HD2 PHE 65 -22.131 15.743 -12.807 472 HE1 PHE 65 HE1 PHE 65 -20.014 11.588 -11.112 473 HE2 PHE 65 HE2 PHE 65 -23.550 13.905 -11.924 474 HZ PHE 65 HZ PHE 65 -22.477 11.809 -11.101 475 H ASN 66 H ASN 66 -16.700 15.388 -13.826 476 HA ASN 66 HA ASN 66 -15.780 13.059 -15.361 477 1HB ASN 66 HB2 ASN 66 -13.630 13.927 -14.911 478 2HB ASN 66 HB3 ASN 66 -14.660 15.311 -15.240 479 1HD2 ASN 66 1HD2 ASN 66 -12.650 16.360 -12.381 480 2HD2 ASN 66 2HD2 ASN 66 -12.418 16.080 -14.110 481 H TYR 67 H TYR 67 -13.849 11.782 -14.171 482 HA TYR 67 HA TYR 67 -15.186 10.069 -12.293 483 1HB TYR 67 HB2 TYR 67 -12.313 10.080 -13.229 484 2HB TYR 67 HB3 TYR 67 -13.083 8.762 -12.391 485 HD1 TYR 67 HD1 TYR 67 -12.444 10.196 -15.615 486 HD2 TYR 67 HD2 TYR 67 -15.215 7.681 -13.465 487 HE1 TYR 67 HE1 TYR 67 -13.251 9.263 -17.768 488 HE2 TYR 67 HE2 TYR 67 -16.011 6.737 -15.604 489 HH TYR 67 HH TYR 67 -15.812 6.751 -17.886 490 H ASP 68 H ASP 68 -13.295 12.864 -11.724 491 HA ASP 68 HA ASP 68 -12.455 12.170 -8.941 492 1HB ASP 68 HB2 ASP 68 -12.200 14.663 -10.637 493 2HB ASP 68 HB3 ASP 68 -11.593 14.472 -8.993 494 H GLY 69 H GLY 69 -15.234 13.366 -10.541 495 1HA GLY 69 HA2 GLY 69 -17.280 14.147 -9.776 496 2HA GLY 69 HA3 GLY 69 -16.668 14.116 -8.114 497 H SER 70 H SER 70 -14.613 15.846 -10.302 498 HA SER 70 HA SER 70 -15.144 18.273 -8.695 499 1HB SER 70 HB2 SER 70 -12.944 18.987 -9.520 500 2HB SER 70 HB3 SER 70 -12.891 17.442 -8.631 501 HG SER 70 HG SER 70 -11.624 17.510 -10.574 502 H GLU 71 H GLU 71 -14.168 17.797 -12.133 503 HA GLU 71 HA GLU 71 -15.424 20.253 -12.927 504 1HB GLU 71 HB2 GLU 71 -14.484 18.001 -14.720 505 2HB GLU 71 HB3 GLU 71 -14.842 19.676 -15.192 506 1HG GLU 71 HG2 GLU 71 -13.039 20.374 -13.528 507 2HG GLU 71 HG3 GLU 71 -12.550 18.696 -13.452 508 H LEU 72 H LEU 72 -17.499 20.554 -12.826 509 HA LEU 72 HA LEU 72 -19.380 18.558 -13.914 510 1HB LEU 72 HB2 LEU 72 -19.512 18.995 -11.511 511 2HB LEU 72 HB3 LEU 72 -19.851 20.688 -11.801 512 HG LEU 72 HG LEU 72 -21.651 18.495 -12.893 513 1HD1 LEU 72 1HD1 LEU 72 -21.868 19.914 -10.207 514 2HD1 LEU 72 2HD1 LEU 72 -23.054 18.798 -10.912 515 3HD1 LEU 72 3HD1 LEU 72 -21.456 18.198 -10.422 516 1HD2 LEU 72 1HD2 LEU 72 -23.389 20.340 -12.626 517 2HD2 LEU 72 2HD2 LEU 72 -22.044 21.467 -12.312 518 3HD2 LEU 72 3HD2 LEU 72 -22.188 20.633 -13.869 519 H ILE 73 H ILE 73 -20.241 19.021 -15.739 520 HA ILE 73 HA ILE 73 -20.092 21.769 -16.893 521 HB ILE 73 HB ILE 73 -20.683 19.145 -18.278 522 1HG1 ILE 73 2HG1 ILE 73 -18.005 20.468 -18.614 523 2HG1 ILE 73 3HG1 ILE 73 -18.238 19.488 -17.169 524 1HG2 ILE 73 1HG2 ILE 73 -19.900 21.964 -19.246 525 2HG2 ILE 73 2HG2 ILE 73 -20.077 20.548 -20.317 526 3HG2 ILE 73 3HG2 ILE 73 -21.479 21.197 -19.441 527 1HD1 ILE 73 1HD1 ILE 73 -18.739 18.457 -19.988 528 2HD1 ILE 73 2HD1 ILE 73 -17.284 18.150 -18.982 529 3HD1 ILE 73 3HD1 ILE 73 -18.861 17.545 -18.469 530 H ILE 74 H ILE 74 -21.856 22.893 -16.924 531 HA ILE 74 HA ILE 74 -24.559 21.695 -16.556 532 HB ILE 74 HB ILE 74 -23.510 24.528 -16.105 533 1HG1 ILE 74 2HG1 ILE 74 -24.507 22.564 -14.006 534 2HG1 ILE 74 3HG1 ILE 74 -22.793 22.778 -14.422 535 1HG2 ILE 74 1HG2 ILE 74 -25.855 24.599 -16.836 536 2HG2 ILE 74 2HG2 ILE 74 -26.299 23.351 -15.686 537 3HG2 ILE 74 3HG2 ILE 74 -25.788 24.952 -15.137 538 1HD1 ILE 74 1HD1 ILE 74 -23.248 24.051 -12.455 539 2HD1 ILE 74 2HD1 ILE 74 -22.904 25.158 -13.778 540 3HD1 ILE 74 3HD1 ILE 74 -24.581 24.911 -13.239 541 H LYS 75 H LYS 75 -26.107 22.078 -18.062 542 HA LYS 75 HA LYS 75 -25.447 23.827 -20.363 543 1HB LYS 75 HB2 LYS 75 -26.576 22.241 -21.908 544 2HB LYS 75 HB3 LYS 75 -25.008 21.761 -21.351 545 1HG LYS 75 HG2 LYS 75 -27.447 20.677 -19.921 546 2HG LYS 75 HG3 LYS 75 -26.983 20.012 -21.471 547 1HD LYS 75 HD2 LYS 75 -25.256 20.013 -18.977 548 2HD LYS 75 HD3 LYS 75 -26.127 18.647 -19.583 549 1HE LYS 75 HE2 LYS 75 -23.858 20.049 -21.060 550 2HE LYS 75 HE3 LYS 75 -23.688 18.608 -20.031 551 1HZ LYS 75 HZ1 LYS 75 -23.866 18.003 -22.359 552 2HZ LYS 75 HZ2 LYS 75 -25.189 17.419 -21.574 553 3HZ LYS 75 HZ3 LYS 75 -25.321 18.732 -22.528 554 H LYS 76 H LYS 76 -27.075 24.640 -21.498 555 HA LYS 76 HA LYS 76 -28.819 26.066 -21.671 556 1HB LYS 76 HB2 LYS 76 -31.068 25.185 -21.675 557 2HB LYS 76 HB3 LYS 76 -29.916 24.275 -22.649 558 1HG LYS 76 HG2 LYS 76 -29.810 22.498 -20.909 559 2HG LYS 76 HG3 LYS 76 -31.012 23.389 -19.972 560 1HD LYS 76 HD2 LYS 76 -32.650 23.177 -21.778 561 2HD LYS 76 HD3 LYS 76 -31.452 22.372 -22.793 562 1HE LYS 76 HE2 LYS 76 -31.234 20.550 -21.095 563 2HE LYS 76 HE3 LYS 76 -32.407 21.354 -20.059 564 1HZ LYS 76 HZ1 LYS 76 -34.088 21.028 -21.797 565 2HZ LYS 76 HZ2 LYS 76 -32.997 20.388 -22.811 566 3HZ LYS 76 HZ3 LYS 76 -33.397 19.594 -21.432 567 H VAL 77 H VAL 77 -27.756 27.148 -19.945 568 HA VAL 77 HA VAL 77 -28.779 27.217 -17.261 569 HB VAL 77 HB VAL 77 -26.894 28.912 -18.892 570 1HG1 VAL 77 1HG1 VAL 77 -27.598 29.335 -15.932 571 2HG1 VAL 77 2HG1 VAL 77 -26.158 30.005 -16.738 572 3HG1 VAL 77 3HG1 VAL 77 -27.769 30.514 -17.243 573 1HG2 VAL 77 1HG2 VAL 77 -26.039 26.709 -18.287 574 2HG2 VAL 77 2HG2 VAL 77 -25.234 27.922 -17.283 575 3HG2 VAL 77 3HG2 VAL 77 -26.535 26.954 -16.593 576 H ASP 78 H ASP 78 -29.991 28.650 -16.171 577 HA ASP 78 HA ASP 78 -31.149 31.043 -17.435 578 1HB ASP 78 HB2 ASP 78 -32.661 28.771 -17.578 579 2HB ASP 78 HB3 ASP 78 -33.139 29.369 -15.984 580 H LYS 79 H LYS 79 -32.598 32.119 -15.666 581 HA LYS 79 HA LYS 79 -30.974 33.187 -13.654 582 1HB LYS 79 HB2 LYS 79 -34.002 33.009 -13.772 583 2HB LYS 79 HB3 LYS 79 -33.088 34.085 -12.675 584 1HG LYS 79 HG2 LYS 79 -32.071 35.209 -14.655 585 2HG LYS 79 HG3 LYS 79 -33.005 34.144 -15.727 586 1HD LYS 79 HD2 LYS 79 -34.239 36.082 -13.741 587 2HD LYS 79 HD3 LYS 79 -34.000 36.422 -15.444 588 1HE LYS 79 HE2 LYS 79 -35.455 34.518 -16.065 589 2HE LYS 79 HE3 LYS 79 -35.684 34.101 -14.363 590 1HZ LYS 79 HZ1 LYS 79 -37.521 35.460 -15.295 591 2HZ LYS 79 HZ2 LYS 79 -36.792 36.264 -14.073 592 3HZ LYS 79 HZ3 LYS 79 -36.499 36.686 -15.612 593 H SER 80 H SER 80 -32.882 30.261 -13.360 594 HA SER 80 HA SER 80 -32.827 30.150 -10.455 595 1HB SER 80 HB2 SER 80 -33.823 27.893 -10.863 596 2HB SER 80 HB3 SER 80 -34.718 29.247 -11.555 597 HG SER 80 HG SER 80 -34.485 27.478 -13.028 598 H ASP 81 H ASP 81 -30.452 29.438 -12.780 599 HA ASP 81 HA ASP 81 -29.197 27.221 -11.286 600 1HB ASP 81 HB2 ASP 81 -28.319 28.833 -13.705 601 2HB ASP 81 HB3 ASP 81 -27.385 27.504 -13.015 602 H GLU 82 H GLU 82 -29.285 30.529 -10.675 603 HA GLU 82 HA GLU 82 -26.664 31.109 -9.741 604 1HB GLU 82 HB2 GLU 82 -28.459 32.766 -9.922 605 2HB GLU 82 HB3 GLU 82 -29.378 31.933 -8.649 606 1HG GLU 82 HG2 GLU 82 -27.583 32.477 -7.011 607 2HG GLU 82 HG3 GLU 82 -26.654 33.244 -8.312 608 H ALA 83 H ALA 83 -25.503 30.496 -7.951 609 HA ALA 83 HA ALA 83 -26.683 28.926 -5.756 610 1HB ALA 83 HB1 ALA 83 -24.750 27.642 -7.743 611 2HB ALA 83 HB2 ALA 83 -25.369 26.884 -6.283 612 3HB ALA 83 HB3 ALA 83 -26.491 27.254 -7.598 613 H GLU 84 H GLU 84 -25.358 28.510 -4.078 614 HA GLU 84 HA GLU 84 -22.558 29.615 -4.036 615 1HB GLU 84 HB2 GLU 84 -24.124 30.863 -2.581 616 2HB GLU 84 HB3 GLU 84 -24.531 29.370 -1.705 617 1HG GLU 84 HG2 GLU 84 -22.204 29.133 -0.963 618 2HG GLU 84 HG3 GLU 84 -21.710 30.515 -1.936 619 H TYR 85 H TYR 85 -21.438 27.820 -4.552 620 HA TYR 85 HA TYR 85 -22.397 25.153 -3.882 621 1HB TYR 85 HB2 TYR 85 -20.012 26.104 -5.454 622 2HB TYR 85 HB3 TYR 85 -20.461 24.433 -5.272 623 HD1 TYR 85 HD1 TYR 85 -20.523 27.089 -7.493 624 HD2 TYR 85 HD2 TYR 85 -23.093 23.999 -5.918 625 HE1 TYR 85 HE1 TYR 85 -21.773 26.992 -9.650 626 HE2 TYR 85 HE2 TYR 85 -24.329 23.908 -8.091 627 HH TYR 85 HH TYR 85 -24.471 24.720 -10.195 628 H ILE 86 H ILE 86 -22.000 24.619 -1.745 629 HA ILE 86 HA ILE 86 -19.184 24.840 -0.747 630 HB ILE 86 HB ILE 86 -21.682 23.863 0.702 631 1HG1 ILE 86 2HG1 ILE 86 -20.169 26.498 0.769 632 2HG1 ILE 86 3HG1 ILE 86 -21.837 26.254 0.272 633 1HG2 ILE 86 1HG2 ILE 86 -18.838 24.417 1.665 634 2HG2 ILE 86 2HG2 ILE 86 -20.211 23.925 2.718 635 3HG2 ILE 86 3HG2 ILE 86 -19.547 22.817 1.520 636 1HD1 ILE 86 1HD1 ILE 86 -21.946 27.270 2.395 637 2HD1 ILE 86 2HD1 ILE 86 -22.387 25.557 2.608 638 3HD1 ILE 86 3HD1 ILE 86 -20.765 26.130 3.078 639 H CYS 87 H CYS 87 -17.872 23.129 -0.887 640 HA CYS 87 HA CYS 87 -18.966 20.490 -1.668 641 1HB CYS 87 HB2 CYS 87 -16.990 20.300 -3.219 642 2HB CYS 87 HB3 CYS 87 -18.186 21.500 -3.708 643 H ILE 88 H ILE 88 -18.317 18.787 -0.689 644 HA ILE 88 HA ILE 88 -16.168 19.021 1.359 645 HB ILE 88 HB ILE 88 -18.768 17.435 1.533 646 1HG1 ILE 88 2HG1 ILE 88 -19.053 19.255 3.532 647 2HG1 ILE 88 3HG1 ILE 88 -18.142 20.267 2.454 648 1HG2 ILE 88 1HG2 ILE 88 -16.917 16.490 2.878 649 2HG2 ILE 88 2HG2 ILE 88 -16.628 18.071 3.638 650 3HG2 ILE 88 3HG2 ILE 88 -18.144 17.176 3.924 651 1HD1 ILE 88 1HD1 ILE 88 -20.608 20.554 2.166 652 2HD1 ILE 88 2HD1 ILE 88 -19.906 19.911 0.681 653 3HD1 ILE 88 3HD1 ILE 88 -20.768 18.823 1.780 654 H ALA 89 H ALA 89 -14.685 17.386 1.422 655 HA ALA 89 HA ALA 89 -15.265 14.846 -0.033 656 1HB ALA 89 HB1 ALA 89 -13.755 16.283 -1.420 657 2HB ALA 89 HB2 ALA 89 -12.604 16.348 -0.069 658 3HB ALA 89 HB3 ALA 89 -12.945 14.796 -0.847 659 H GLU 90 H GLU 90 -14.434 13.031 0.819 660 HA GLU 90 HA GLU 90 -13.096 13.056 3.479 661 1HB GLU 90 HB2 GLU 90 -15.594 13.266 3.700 662 2HB GLU 90 HB3 GLU 90 -15.758 11.750 2.830 663 1HG GLU 90 HG2 GLU 90 -14.429 10.612 4.649 664 2HG GLU 90 HG3 GLU 90 -14.335 12.163 5.478 665 H ASN 91 H ASN 91 -11.897 11.220 3.883 666 HA ASN 91 HA ASN 91 -12.506 8.732 2.528 667 1HB ASN 91 HB2 ASN 91 -10.552 8.313 1.341 668 2HB ASN 91 HB3 ASN 91 -11.003 9.929 0.878 669 1HD2 ASN 91 1HD2 ASN 91 -7.375 9.984 1.281 670 2HD2 ASN 91 2HD2 ASN 91 -8.545 9.212 0.200 671 H LYS 92 H LYS 92 -10.261 7.230 3.285 672 HA LYS 92 HA LYS 92 -10.719 7.009 6.156 673 1HB LYS 92 HB2 LYS 92 -8.883 5.188 5.845 674 2HB LYS 92 HB3 LYS 92 -10.542 4.888 5.413 675 1HG LYS 92 HG2 LYS 92 -8.474 5.765 3.386 676 2HG LYS 92 HG3 LYS 92 -8.643 4.093 3.868 677 1HD LYS 92 HD2 LYS 92 -10.768 5.730 2.411 678 2HD LYS 92 HD3 LYS 92 -9.786 4.455 1.770 679 1HE LYS 92 HE2 LYS 92 -11.867 4.090 3.946 680 2HE LYS 92 HE3 LYS 92 -12.106 3.764 2.212 681 1HZ LYS 92 HZ1 LYS 92 -11.553 1.719 3.362 682 2HZ LYS 92 HZ2 LYS 92 -10.361 2.092 2.345 683 3HZ LYS 92 HZ3 LYS 92 -10.172 2.327 3.958 684 H ALA 93 H ALA 93 -8.358 8.669 4.344 685 HA ALA 93 HA ALA 93 -6.451 8.821 6.568 686 1HB ALA 93 HB1 ALA 93 -5.693 8.513 4.242 687 2HB ALA 93 HB2 ALA 93 -6.421 10.072 3.798 688 3HB ALA 93 HB3 ALA 93 -5.052 10.003 4.959 689 H GLY 94 H GLY 94 -9.002 10.873 5.153 690 1HA GLY 94 HA2 GLY 94 -9.087 12.617 7.401 691 2HA GLY 94 HA3 GLY 94 -8.146 13.383 6.129 692 H GLU 95 H GLU 95 -9.785 15.069 6.269 693 HA GLU 95 HA GLU 95 -12.107 14.738 4.535 694 1HB GLU 95 HB2 GLU 95 -12.856 13.729 6.731 695 2HB GLU 95 HB3 GLU 95 -12.487 15.273 7.504 696 1HG GLU 95 HG2 GLU 95 -14.185 16.318 5.888 697 2HG GLU 95 HG3 GLU 95 -14.583 14.680 5.405 698 H GLN 96 H GLN 96 -12.521 16.705 3.609 699 HA GLN 96 HA GLN 96 -11.939 19.257 4.965 700 1HB GLN 96 HB2 GLN 96 -10.313 18.292 2.590 701 2HB GLN 96 HB3 GLN 96 -10.521 20.009 2.909 702 1HG GLN 96 HG2 GLN 96 -9.641 19.573 5.243 703 2HG GLN 96 HG3 GLN 96 -9.190 17.946 4.718 704 1HE2 GLN 96 1HE2 GLN 96 -7.855 17.919 2.572 705 2HE2 GLN 96 2HE2 GLN 96 -6.502 19.066 2.595 706 H ASP 97 H ASP 97 -12.273 21.166 3.309 707 HA ASP 97 HA ASP 97 -14.381 20.684 1.343 708 1HB ASP 97 HB2 ASP 97 -16.136 21.915 2.464 709 2HB ASP 97 HB3 ASP 97 -15.605 20.634 3.504 710 H ALA 98 H ALA 98 -14.788 22.379 -0.059 711 HA ALA 98 HA ALA 98 -13.537 25.069 0.389 712 1HB ALA 98 HB1 ALA 98 -12.154 23.707 -1.193 713 2HB ALA 98 HB2 ALA 98 -13.554 23.577 -2.273 714 3HB ALA 98 HB3 ALA 98 -12.809 25.155 -1.955 715 H THR 99 H THR 99 -14.470 26.654 -1.392 716 HA THR 99 HA THR 99 -17.412 26.311 -1.693 717 HB THR 99 HB THR 99 -16.048 28.652 -0.329 718 HG1 THR 99 HG1 THR 99 -16.351 26.921 1.044 719 1HG2 THR 99 1HG2 THR 99 -17.978 29.535 -1.580 720 2HG2 THR 99 2HG2 THR 99 -18.993 28.212 -0.967 721 3HG2 THR 99 3HG2 THR 99 -18.394 29.452 0.131 722 H ILE 100 H ILE 100 -18.323 27.450 -3.429 723 HA ILE 100 HA ILE 100 -16.672 29.306 -5.124 724 HB ILE 100 HB ILE 100 -18.251 26.936 -6.218 725 1HG1 ILE 100 2HG1 ILE 100 -15.254 27.103 -6.021 726 2HG1 ILE 100 3HG1 ILE 100 -16.282 26.057 -5.030 727 1HG2 ILE 100 1HG2 ILE 100 -16.448 28.988 -7.565 728 2HG2 ILE 100 2HG2 ILE 100 -17.088 27.554 -8.371 729 3HG2 ILE 100 3HG2 ILE 100 -18.187 28.779 -7.779 730 1HD1 ILE 100 1HD1 ILE 100 -15.778 25.824 -7.993 731 2HD1 ILE 100 2HD1 ILE 100 -15.416 24.674 -6.703 732 3HD1 ILE 100 3HD1 ILE 100 -17.109 24.985 -7.142 733 H HIS 101 H HIS 101 -17.996 30.835 -6.259 734 HA HIS 101 HA HIS 101 -20.924 30.783 -5.678 735 1HB HIS 101 HB2 HIS 101 -19.381 33.145 -6.729 736 2HB HIS 101 HB3 HIS 101 -20.945 33.139 -5.950 737 HD1 HIS 101 HD1 HIS 101 -17.442 33.865 -5.254 738 HD2 HIS 101 HD2 HIS 101 -20.684 32.280 -3.116 739 HE1 HIS 101 HE1 HIS 101 -16.859 34.120 -2.775 740 H LEU 102 H LEU 102 -22.408 31.043 -7.400 741 HA LEU 102 HA LEU 102 -21.374 31.523 -10.132 742 1HB LEU 102 HB2 LEU 102 -21.728 29.176 -10.098 743 2HB LEU 102 HB3 LEU 102 -23.268 29.338 -9.251 744 HG LEU 102 HG LEU 102 -24.307 30.370 -11.237 745 1HD1 LEU 102 1HD1 LEU 102 -23.124 30.282 -13.426 746 2HD1 LEU 102 2HD1 LEU 102 -22.330 31.401 -12.305 747 3HD1 LEU 102 3HD1 LEU 102 -21.629 29.783 -12.602 748 1HD2 LEU 102 1HD2 LEU 102 -24.417 28.351 -12.580 749 2HD2 LEU 102 2HD2 LEU 102 -22.908 27.767 -11.869 750 3HD2 LEU 102 3HD2 LEU 102 -24.355 27.944 -10.873 751 H LYS 103 H LYS 103 -22.082 33.462 -10.557 752 HA LYS 103 HA LYS 103 -24.829 34.375 -9.758 753 1HB LYS 103 HB2 LYS 103 -22.417 35.987 -10.601 754 2HB LYS 103 HB3 LYS 103 -23.952 36.641 -10.027 755 1HG LYS 103 HG2 LYS 103 -21.943 35.009 -8.405 756 2HG LYS 103 HG3 LYS 103 -22.262 36.746 -8.261 757 1HD LYS 103 HD2 LYS 103 -24.194 34.485 -7.574 758 2HD LYS 103 HD3 LYS 103 -23.339 35.471 -6.415 759 1HE LYS 103 HE2 LYS 103 -25.432 36.515 -8.381 760 2HE LYS 103 HE3 LYS 103 -25.755 36.052 -6.730 761 1HZ LYS 103 HZ1 LYS 103 -24.207 37.797 -5.995 762 2HZ LYS 103 HZ2 LYS 103 -23.935 38.255 -7.543 763 3HZ LYS 103 HZ3 LYS 103 -25.415 38.423 -6.882 764 H VAL 104 H VAL 104 -26.052 33.457 -11.342 765 HA VAL 104 HA VAL 104 -25.532 33.983 -14.215 766 HB VAL 104 HB VAL 104 -27.767 32.539 -12.730 767 1HG1 VAL 104 1HG1 VAL 104 -28.793 33.402 -14.760 768 2HG1 VAL 104 2HG1 VAL 104 -27.376 32.960 -15.737 769 3HG1 VAL 104 3HG1 VAL 104 -28.437 31.722 -15.046 770 1HG2 VAL 104 1HG2 VAL 104 -25.593 31.383 -12.763 771 2HG2 VAL 104 2HG2 VAL 104 -26.791 30.553 -13.749 772 3HG2 VAL 104 3HG2 VAL 104 -25.518 31.518 -14.535 773 H PHE 105 H PHE 105 -26.407 35.652 -15.395 774 HA PHE 105 HA PHE 105 -28.138 37.575 -13.917 775 1HB PHE 105 HB2 PHE 105 -27.043 39.177 -15.493 776 2HB PHE 105 HB3 PHE 105 -26.027 38.490 -14.220 777 HD1 PHE 105 HD1 PHE 105 -26.693 38.673 -17.872 778 HD2 PHE 105 HD2 PHE 105 -24.110 37.050 -14.808 779 HE1 PHE 105 HE1 PHE 105 -24.965 38.159 -19.569 780 HE2 PHE 105 HE2 PHE 105 -22.400 36.525 -16.542 781 HZ PHE 105 HZ PHE 105 -22.805 37.126 -18.896 782 H ALA 106 H ALA 106 -29.695 38.740 -15.005 783 HA ALA 106 HA ALA 106 -31.157 37.188 -16.974 784 1HB ALA 106 HB1 ALA 106 -32.154 38.030 -14.853 785 2HB ALA 106 HB2 ALA 106 -31.881 39.694 -15.388 786 3HB ALA 106 HB3 ALA 106 -32.990 38.623 -16.290 787 H LYS 107 H LYS 107 -28.993 38.073 -18.265 788 HA LYS 107 HA LYS 107 -28.257 39.026 -20.209 789 1HB LYS 107 HB2 LYS 107 -31.084 39.979 -20.770 790 2HB LYS 107 HB3 LYS 107 -29.788 39.700 -21.920 791 1HG LYS 107 HG2 LYS 107 -29.875 37.273 -21.524 792 2HG LYS 107 HG3 LYS 107 -31.087 37.503 -20.244 793 1HD LYS 107 HD2 LYS 107 -32.599 38.540 -21.951 794 2HD LYS 107 HD3 LYS 107 -31.409 38.125 -23.206 795 1HE LYS 107 HE2 LYS 107 -31.652 35.721 -22.573 796 2HE LYS 107 HE3 LYS 107 -32.796 36.167 -21.319 797 1HZ LYS 107 HZ1 LYS 107 -33.254 36.570 -24.224 798 2HZ LYS 107 HZ2 LYS 107 -34.016 35.473 -23.275 799 3HZ LYS 107 HZ3 LYS 107 -34.286 37.053 -23.053 Start of MODEL 18 1 1H GLY 1 H1 GLY 1 0.306 4.172 -7.337 2 2H GLY 1 H2 GLY 1 -1.243 4.633 -7.063 3 3H GLY 1 H3 GLY 1 -0.105 5.792 -7.215 4 1HA GLY 1 HA2 GLY 1 0.981 5.074 -5.189 5 2HA GLY 1 HA3 GLY 1 -0.705 5.514 -4.902 6 H LYS 2 H LYS 2 0.343 4.021 -3.036 7 HA LYS 2 HA LYS 2 -0.978 1.404 -3.180 8 1HB LYS 2 HB2 LYS 2 2.005 1.807 -3.093 9 2HB LYS 2 HB3 LYS 2 1.366 0.614 -1.992 10 1HG LYS 2 HG2 LYS 2 0.949 0.573 -5.015 11 2HG LYS 2 HG3 LYS 2 2.148 -0.337 -4.088 12 1HD LYS 2 HD2 LYS 2 0.297 -1.397 -2.772 13 2HD LYS 2 HD3 LYS 2 -0.865 -0.669 -3.870 14 1HE LYS 2 HE2 LYS 2 1.366 -2.596 -4.673 15 2HE LYS 2 HE3 LYS 2 -0.332 -3.045 -4.412 16 1HZ LYS 2 HZ1 LYS 2 0.156 -2.696 -6.774 17 2HZ LYS 2 HZ2 LYS 2 -0.938 -1.605 -6.239 18 3HZ LYS 2 HZ3 LYS 2 0.593 -1.144 -6.504 19 H ASP 3 H ASP 3 -1.593 0.646 -1.242 20 HA ASP 3 HA ASP 3 -1.587 2.573 1.006 21 1HB ASP 3 HB2 ASP 3 -3.680 1.570 0.112 22 2HB ASP 3 HB3 ASP 3 -3.135 -0.028 0.625 23 H ILE 4 H ILE 4 0.865 1.175 0.429 24 HA ILE 4 HA ILE 4 1.322 -1.015 2.342 25 HB ILE 4 HB ILE 4 3.040 0.560 0.395 26 1HG1 ILE 4 2HG1 ILE 4 2.215 -2.384 0.556 27 2HG1 ILE 4 3HG1 ILE 4 1.414 -1.170 -0.425 28 1HG2 ILE 4 1HG2 ILE 4 4.946 -0.984 0.963 29 2HG2 ILE 4 2HG2 ILE 4 4.524 0.051 2.293 30 3HG2 ILE 4 3HG2 ILE 4 3.993 -1.650 2.318 31 1HD1 ILE 4 1HD1 ILE 4 3.552 -0.801 -1.700 32 2HD1 ILE 4 2HD1 ILE 4 4.222 -2.205 -0.802 33 3HD1 ILE 4 3HD1 ILE 4 2.826 -2.417 -1.871 34 H GLN 5 H GLN 5 2.581 -0.871 4.233 35 HA GLN 5 HA GLN 5 2.129 1.577 5.679 36 1HB GLN 5 HB2 GLN 5 3.443 -1.022 6.543 37 2HB GLN 5 HB3 GLN 5 2.990 0.290 7.650 38 1HG GLN 5 HG2 GLN 5 0.616 0.031 6.942 39 2HG GLN 5 HG3 GLN 5 1.069 -1.330 5.930 40 1HE2 GLN 5 1HE2 GLN 5 -0.812 -1.323 8.271 41 2HE2 GLN 5 2HE2 GLN 5 -0.124 -2.532 9.344 42 H VAL 6 H VAL 6 4.075 1.835 3.657 43 HA VAL 6 HA VAL 6 6.112 3.336 5.158 44 HB VAL 6 HB VAL 6 7.028 1.715 2.750 45 1HG1 VAL 6 1HG1 VAL 6 8.528 3.553 3.460 46 2HG1 VAL 6 2HG1 VAL 6 8.542 2.925 5.115 47 3HG1 VAL 6 3HG1 VAL 6 9.276 1.985 3.807 48 1HG2 VAL 6 1HG2 VAL 6 7.281 0.814 5.661 49 2HG2 VAL 6 2HG2 VAL 6 6.351 0.000 4.395 50 3HG2 VAL 6 3HG2 VAL 6 8.089 0.057 4.254 51 H ILE 7 H ILE 7 3.684 3.810 3.679 52 HA ILE 7 HA ILE 7 4.519 6.023 1.866 53 HB ILE 7 HB ILE 7 2.430 3.894 1.206 54 1HG1 ILE 7 2HG1 ILE 7 5.158 4.444 -0.081 55 2HG1 ILE 7 3HG1 ILE 7 4.690 3.031 0.809 56 1HG2 ILE 7 1HG2 ILE 7 1.656 6.062 0.331 57 2HG2 ILE 7 2HG2 ILE 7 3.251 6.353 -0.411 58 3HG2 ILE 7 3HG2 ILE 7 2.179 5.059 -0.970 59 1HD1 ILE 7 1HD1 ILE 7 2.939 2.540 -0.960 60 2HD1 ILE 7 2HD1 ILE 7 3.812 3.774 -1.955 61 3HD1 ILE 7 3HD1 ILE 7 4.664 2.363 -1.399 62 H VAL 8 H VAL 8 2.943 7.713 1.751 63 HA VAL 8 HA VAL 8 1.348 7.950 4.239 64 HB VAL 8 HB VAL 8 1.923 9.980 2.019 65 1HG1 VAL 8 1HG1 VAL 8 0.773 10.331 4.843 66 2HG1 VAL 8 2HG1 VAL 8 1.239 11.657 3.723 67 3HG1 VAL 8 3HG1 VAL 8 -0.094 10.604 3.302 68 1HG2 VAL 8 1HG2 VAL 8 3.525 10.988 3.601 69 2HG2 VAL 8 2HG2 VAL 8 3.237 9.665 4.761 70 3HG2 VAL 8 3HG2 VAL 8 4.002 9.341 3.202 71 H ASN 9 H ASN 9 -0.734 7.708 4.361 72 HA ASN 9 HA ASN 9 -2.458 7.454 1.945 73 1HB ASN 9 HB2 ASN 9 -4.245 6.993 3.685 74 2HB ASN 9 HB3 ASN 9 -2.945 5.792 3.504 75 1HD2 ASN 9 1HD2 ASN 9 -3.349 8.808 5.497 76 2HD2 ASN 9 2HD2 ASN 9 -2.915 8.002 7.003 77 H VAL 10 H VAL 10 -2.881 9.290 0.960 78 HA VAL 10 HA VAL 10 -2.697 11.829 2.276 79 HB VAL 10 HB VAL 10 -3.520 11.307 -0.573 80 1HG1 VAL 10 1HG1 VAL 10 -2.634 13.583 -0.973 81 2HG1 VAL 10 2HG1 VAL 10 -3.965 13.619 0.178 82 3HG1 VAL 10 3HG1 VAL 10 -2.304 13.754 0.775 83 1HG2 VAL 10 1HG2 VAL 10 -1.311 10.235 -0.130 84 2HG2 VAL 10 2HG2 VAL 10 -1.122 11.698 -1.103 85 3HG2 VAL 10 3HG2 VAL 10 -0.763 11.729 0.633 86 HA PRO 11 HA PRO 11 -7.130 12.265 3.302 87 1HB PRO 11 HB2 PRO 11 -6.221 15.119 3.511 88 2HB PRO 11 HB3 PRO 11 -7.266 14.201 4.625 89 1HG PRO 11 HG2 PRO 11 -4.715 14.593 5.285 90 2HG PRO 11 HG3 PRO 11 -5.417 12.954 5.484 91 1HD PRO 11 HD2 PRO 11 -3.700 13.990 3.193 92 2HD PRO 11 HD3 PRO 11 -3.571 12.463 4.115 93 HA PRO 12 HA PRO 12 -8.859 13.780 -0.438 94 1HB PRO 12 HB2 PRO 12 -11.443 14.140 0.179 95 2HB PRO 12 HB3 PRO 12 -10.630 12.555 0.503 96 1HG PRO 12 HG2 PRO 12 -11.232 14.814 2.450 97 2HG PRO 12 HG3 PRO 12 -11.422 13.047 2.682 98 1HD PRO 12 HD2 PRO 12 -9.221 14.551 3.467 99 2HD PRO 12 HD3 PRO 12 -9.234 12.772 3.284 100 H SER 13 H SER 13 -7.534 15.712 -0.615 101 HA SER 13 HA SER 13 -8.276 18.248 0.635 102 1HB SER 13 HB2 SER 13 -6.047 17.581 -1.327 103 2HB SER 13 HB3 SER 13 -6.270 19.117 -0.451 104 HG SER 13 HG SER 13 -4.771 17.693 0.581 105 H VAL 14 H VAL 14 -10.455 18.052 -0.437 106 HA VAL 14 HA VAL 14 -10.662 18.878 -3.136 107 HB VAL 14 HB VAL 14 -12.465 17.787 -1.862 108 1HG1 VAL 14 1HG1 VAL 14 -14.040 19.036 -0.485 109 2HG1 VAL 14 2HG1 VAL 14 -12.431 19.178 0.221 110 3HG1 VAL 14 3HG1 VAL 14 -13.152 20.535 -0.709 111 1HG2 VAL 14 1HG2 VAL 14 -14.297 18.871 -3.007 112 2HG2 VAL 14 2HG2 VAL 14 -13.373 20.379 -3.161 113 3HG2 VAL 14 3HG2 VAL 14 -12.845 18.901 -4.024 114 H ARG 15 H ARG 15 -11.024 20.849 -4.107 115 HA ARG 15 HA ARG 15 -10.920 23.344 -2.499 116 1HB ARG 15 HB2 ARG 15 -8.996 24.200 -3.620 117 2HB ARG 15 HB3 ARG 15 -8.580 22.647 -2.915 118 1HG ARG 15 HG2 ARG 15 -9.241 21.763 -5.378 119 2HG ARG 15 HG3 ARG 15 -8.881 23.414 -5.808 120 1HD ARG 15 HD2 ARG 15 -6.888 22.226 -6.130 121 2HD ARG 15 HD3 ARG 15 -6.651 23.147 -4.647 122 HE ARG 15 HE ARG 15 -7.589 20.682 -3.759 123 1HH1 ARG 15 1HH1 ARG 15 -6.594 18.829 -3.397 124 2HH1 ARG 15 2HH1 ARG 15 -5.004 18.504 -4.054 125 1HH2 ARG 15 1HH2 ARG 15 -4.074 19.936 -5.454 126 2HH2 ARG 15 2HH2 ARG 15 -4.888 21.430 -5.860 127 H ALA 16 H ALA 16 -11.374 25.286 -3.763 128 HA ALA 16 HA ALA 16 -13.419 24.769 -5.844 129 1HB ALA 16 HB1 ALA 16 -13.970 27.141 -5.561 130 2HB ALA 16 HB2 ALA 16 -14.053 26.247 -4.022 131 3HB ALA 16 HB3 ALA 16 -12.663 27.313 -4.359 132 H ARG 17 H ARG 17 -12.906 24.783 -7.884 133 HA ARG 17 HA ARG 17 -10.228 25.283 -8.772 134 1HB ARG 17 HB2 ARG 17 -11.769 23.601 -9.765 135 2HB ARG 17 HB3 ARG 17 -12.704 24.888 -10.523 136 1HG ARG 17 HG2 ARG 17 -10.712 25.620 -11.788 137 2HG ARG 17 HG3 ARG 17 -9.727 24.377 -11.018 138 1HD ARG 17 HD2 ARG 17 -12.199 23.781 -12.705 139 2HD ARG 17 HD3 ARG 17 -10.588 23.992 -13.395 140 HE ARG 17 HE ARG 17 -11.598 21.615 -12.161 141 1HH1 ARG 17 1HH1 ARG 17 -10.455 19.864 -12.133 142 2HH1 ARG 17 2HH1 ARG 17 -8.679 19.885 -12.114 143 1HH2 ARG 17 1HH2 ARG 17 -8.506 23.302 -12.520 144 2HH2 ARG 17 2HH2 ARG 17 -7.638 21.801 -12.310 145 H GLN 18 H GLN 18 -13.086 27.293 -9.166 146 HA GLN 18 HA GLN 18 -11.391 29.546 -10.188 147 1HB GLN 18 HB2 GLN 18 -14.110 28.632 -11.112 148 2HB GLN 18 HB3 GLN 18 -13.394 30.149 -11.621 149 1HG GLN 18 HG2 GLN 18 -11.437 28.920 -12.550 150 2HG GLN 18 HG3 GLN 18 -12.204 27.385 -12.145 151 1HE2 GLN 18 1HE2 GLN 18 -13.843 29.544 -15.271 152 2HE2 GLN 18 2HE2 GLN 18 -12.982 30.435 -14.028 153 H SER 19 H SER 19 -13.430 28.750 -7.663 154 HA SER 19 HA SER 19 -14.246 29.818 -5.904 155 1HB SER 19 HB2 SER 19 -12.776 32.264 -6.909 156 2HB SER 19 HB3 SER 19 -13.395 32.004 -5.278 157 HG SER 19 HG SER 19 -11.157 31.469 -5.481 158 H THR 20 H THR 20 -14.798 31.780 -8.809 159 HA THR 20 HA THR 20 -17.629 32.244 -8.114 160 HB THR 20 HB THR 20 -15.694 34.552 -8.581 161 HG1 THR 20 HG1 THR 20 -16.326 35.170 -6.509 162 1HG2 THR 20 1HG2 THR 20 -18.723 34.524 -8.080 163 2HG2 THR 20 2HG2 THR 20 -17.696 35.972 -8.076 164 3HG2 THR 20 3HG2 THR 20 -17.897 35.056 -9.583 165 H MET 21 H MET 21 -18.713 31.827 -9.819 166 HA MET 21 HA MET 21 -17.603 32.098 -12.571 167 1HB MET 21 HB2 MET 21 -19.941 30.484 -11.541 168 2HB MET 21 HB3 MET 21 -19.281 30.470 -13.168 169 1HG MET 21 HG2 MET 21 -17.811 29.542 -10.654 170 2HG MET 21 HG3 MET 21 -18.569 28.498 -11.834 171 1HE MET 21 HE1 MET 21 -16.329 28.687 -14.935 172 2HE MET 21 HE2 MET 21 -17.930 28.341 -14.270 173 3HE MET 21 HE3 MET 21 -17.511 30.003 -14.716 174 H ASN 22 H ASN 22 -19.329 32.605 -14.258 175 HA ASN 22 HA ASN 22 -21.717 34.004 -13.403 176 1HB ASN 22 HB2 ASN 22 -21.267 36.087 -14.485 177 2HB ASN 22 HB3 ASN 22 -20.052 35.828 -13.253 178 1HD2 ASN 22 1HD2 ASN 22 -17.358 35.879 -15.554 179 2HD2 ASN 22 2HD2 ASN 22 -17.851 35.599 -13.894 180 H ALA 23 H ALA 23 -23.193 34.497 -15.238 181 HA ALA 23 HA ALA 23 -22.655 33.297 -17.847 182 1HB ALA 23 HB1 ALA 23 -22.943 31.304 -16.378 183 2HB ALA 23 HB2 ALA 23 -24.533 31.863 -15.882 184 3HB ALA 23 HB3 ALA 23 -24.232 31.408 -17.579 185 H THR 24 H THR 24 -24.360 33.506 -19.330 186 HA THR 24 HA THR 24 -26.392 35.527 -18.649 187 HB THR 24 HB THR 24 -25.863 34.453 -21.423 188 HG1 THR 24 HG1 THR 24 -24.486 36.259 -21.647 189 1HG2 THR 24 1HG2 THR 24 -26.773 36.620 -22.120 190 2HG2 THR 24 2HG2 THR 24 -27.947 35.826 -21.046 191 3HG2 THR 24 3HG2 THR 24 -26.934 37.120 -20.410 192 H ALA 25 H ALA 25 -28.355 34.843 -18.072 193 HA ALA 25 HA ALA 25 -29.261 32.141 -18.435 194 1HB ALA 25 HB1 ALA 25 -31.336 33.151 -17.242 195 2HB ALA 25 HB2 ALA 25 -29.783 33.310 -16.402 196 3HB ALA 25 HB3 ALA 25 -30.479 34.695 -17.263 197 H ASN 26 H ASN 26 -31.180 31.422 -19.351 198 HA ASN 26 HA ASN 26 -32.928 31.172 -20.688 199 1HB ASN 26 HB2 ASN 26 -33.479 33.461 -19.517 200 2HB ASN 26 HB3 ASN 26 -33.167 34.173 -21.096 201 1HD2 ASN 26 1HD2 ASN 26 -36.439 31.716 -20.514 202 2HD2 ASN 26 2HD2 ASN 26 -34.970 31.523 -19.509 203 H LEU 27 H LEU 27 -30.105 32.067 -21.933 204 HA LEU 27 HA LEU 27 -30.907 32.128 -24.787 205 1HB LEU 27 HB2 LEU 27 -28.169 32.256 -23.491 206 2HB LEU 27 HB3 LEU 27 -28.502 32.397 -25.207 207 HG LEU 27 HG LEU 27 -29.359 34.372 -23.070 208 1HD1 LEU 27 1HD1 LEU 27 -27.807 35.878 -24.239 209 2HD1 LEU 27 2HD1 LEU 27 -26.983 34.440 -23.652 210 3HD1 LEU 27 3HD1 LEU 27 -27.396 34.576 -25.385 211 1HD2 LEU 27 1HD2 LEU 27 -31.106 34.354 -24.759 212 2HD2 LEU 27 2HD2 LEU 27 -30.112 35.808 -24.939 213 3HD2 LEU 27 3HD2 LEU 27 -29.886 34.445 -26.056 214 H SER 28 H SER 28 -30.903 29.691 -22.715 215 HA SER 28 HA SER 28 -30.562 27.459 -22.678 216 1HB SER 28 HB2 SER 28 -30.292 27.657 -25.719 217 2HB SER 28 HB3 SER 28 -30.552 26.172 -24.774 218 HG SER 28 HG SER 28 -32.505 27.100 -25.621 219 H GLN 29 H GLN 29 -28.291 29.275 -22.366 220 HA GLN 29 HA GLN 29 -25.980 28.168 -23.662 221 1HB GLN 29 HB2 GLN 29 -26.356 30.535 -22.941 222 2HB GLN 29 HB3 GLN 29 -26.148 29.992 -21.264 223 1HG GLN 29 HG2 GLN 29 -24.200 31.159 -22.183 224 2HG GLN 29 HG3 GLN 29 -23.805 29.562 -21.625 225 1HE2 GLN 29 1HE2 GLN 29 -23.146 30.510 -25.525 226 2HE2 GLN 29 2HE2 GLN 29 -23.779 31.705 -24.395 227 H SER 30 H SER 30 -24.016 27.607 -22.302 228 HA SER 30 HA SER 30 -24.654 25.645 -20.128 229 1HB SER 30 HB2 SER 30 -22.799 25.126 -22.467 230 2HB SER 30 HB3 SER 30 -23.104 24.046 -21.091 231 HG SER 30 HG SER 30 -24.377 23.574 -23.017 232 H VAL 31 H VAL 31 -23.001 25.130 -18.732 233 HA VAL 31 HA VAL 31 -20.637 26.993 -18.588 234 HB VAL 31 HB VAL 31 -22.794 26.566 -16.448 235 1HG1 VAL 31 1HG1 VAL 31 -21.531 28.193 -15.067 236 2HG1 VAL 31 2HG1 VAL 31 -20.614 26.686 -15.337 237 3HG1 VAL 31 3HG1 VAL 31 -20.216 28.171 -16.253 238 1HG2 VAL 31 1HG2 VAL 31 -21.909 29.106 -17.862 239 2HG2 VAL 31 2HG2 VAL 31 -23.437 28.231 -18.160 240 3HG2 VAL 31 3HG2 VAL 31 -23.155 28.967 -16.592 241 H THR 32 H THR 32 -18.795 26.039 -17.710 242 HA THR 32 HA THR 32 -19.081 23.420 -16.290 243 HB THR 32 HB THR 32 -16.559 24.498 -17.566 244 HG1 THR 32 HG1 THR 32 -18.069 23.941 -19.155 245 1HG2 THR 32 1HG2 THR 32 -17.284 21.737 -16.418 246 2HG2 THR 32 2HG2 THR 32 -15.794 22.127 -17.303 247 3HG2 THR 32 3HG2 THR 32 -16.117 22.874 -15.741 248 H LEU 33 H LEU 33 -18.305 23.287 -14.204 249 HA LEU 33 HA LEU 33 -16.337 25.132 -13.145 250 1HB LEU 33 HB2 LEU 33 -17.562 26.139 -11.428 251 2HB LEU 33 HB3 LEU 33 -18.463 26.440 -12.896 252 HG LEU 33 HG LEU 33 -19.193 24.211 -10.938 253 1HD1 LEU 33 1HD1 LEU 33 -20.403 26.989 -11.140 254 2HD1 LEU 33 2HD1 LEU 33 -20.771 25.684 -9.983 255 3HD1 LEU 33 3HD1 LEU 33 -19.212 26.508 -9.909 256 1HD2 LEU 33 1HD2 LEU 33 -20.321 23.855 -13.092 257 2HD2 LEU 33 2HD2 LEU 33 -21.469 24.464 -11.898 258 3HD2 LEU 33 3HD2 LEU 33 -20.853 25.535 -13.152 259 H ALA 34 H ALA 34 -15.788 24.504 -10.742 260 HA ALA 34 HA ALA 34 -16.370 21.669 -10.174 261 1HB ALA 34 HB1 ALA 34 -14.179 20.870 -10.715 262 2HB ALA 34 HB2 ALA 34 -14.750 21.760 -12.146 263 3HB ALA 34 HB3 ALA 34 -13.597 22.510 -11.048 264 H CYS 35 H CYS 35 -15.741 20.894 -8.329 265 HA CYS 35 HA CYS 35 -14.102 22.525 -6.403 266 1HB CYS 35 HB2 CYS 35 -16.562 20.795 -5.971 267 2HB CYS 35 HB3 CYS 35 -15.309 20.845 -4.756 268 H ASP 36 H ASP 36 -12.143 21.555 -7.383 269 HA ASP 36 HA ASP 36 -12.269 18.712 -8.079 270 1HB ASP 36 HB2 ASP 36 -10.176 18.949 -9.123 271 2HB ASP 36 HB3 ASP 36 -11.149 20.346 -9.559 272 H ALA 37 H ALA 37 -11.619 17.020 -7.063 273 HA ALA 37 HA ALA 37 -10.220 17.396 -4.429 274 1HB ALA 37 HB1 ALA 37 -12.097 15.193 -5.320 275 2HB ALA 37 HB2 ALA 37 -11.374 15.361 -3.702 276 3HB ALA 37 HB3 ALA 37 -12.552 16.542 -4.286 277 H ASP 38 H ASP 38 -8.694 15.973 -3.759 278 HA ASP 38 HA ASP 38 -7.723 13.762 -5.440 279 1HB ASP 38 HB2 ASP 38 -6.506 15.725 -6.310 280 2HB ASP 38 HB3 ASP 38 -5.982 16.154 -4.684 281 H GLY 39 H GLY 39 -6.519 12.272 -4.264 282 1HA GLY 39 HA2 GLY 39 -5.463 12.410 -1.670 283 2HA GLY 39 HA3 GLY 39 -7.148 11.993 -1.478 284 H PHE 40 H PHE 40 -5.551 10.095 -0.586 285 HA PHE 40 HA PHE 40 -5.994 7.891 -2.447 286 1HB PHE 40 HB2 PHE 40 -3.817 8.663 -3.215 287 2HB PHE 40 HB3 PHE 40 -3.165 8.552 -1.580 288 HD1 PHE 40 HD1 PHE 40 -4.339 6.685 -4.554 289 HD2 PHE 40 HD2 PHE 40 -2.730 6.334 -0.561 290 HE1 PHE 40 HE1 PHE 40 -4.004 4.251 -4.894 291 HE2 PHE 40 HE2 PHE 40 -2.498 3.899 -0.857 292 HZ PHE 40 HZ PHE 40 -3.134 2.842 -3.037 293 HA PRO 41 HA PRO 41 -6.228 5.602 -2.313 294 1HB PRO 41 HB2 PRO 41 -8.254 4.354 -0.504 295 2HB PRO 41 HB3 PRO 41 -7.248 3.610 -1.779 296 1HG PRO 41 HG2 PRO 41 -6.662 3.305 0.858 297 2HG PRO 41 HG3 PRO 41 -5.356 3.579 -0.324 298 1HD PRO 41 HD2 PRO 41 -6.672 5.605 1.519 299 2HD PRO 41 HD3 PRO 41 -4.937 5.358 1.155 300 H GLU 42 H GLU 42 -8.240 5.645 -3.552 301 HA GLU 42 HA GLU 42 -9.005 8.109 -4.072 302 1HB GLU 42 HB2 GLU 42 -10.624 7.313 -5.581 303 2HB GLU 42 HB3 GLU 42 -9.287 6.195 -5.564 304 1HG GLU 42 HG2 GLU 42 -12.015 5.798 -4.230 305 2HG GLU 42 HG3 GLU 42 -11.453 5.046 -5.720 306 HA PRO 43 HA PRO 43 -12.033 9.398 -1.099 307 1HB PRO 43 HB2 PRO 43 -12.407 11.992 -1.814 308 2HB PRO 43 HB3 PRO 43 -10.776 11.392 -1.433 309 1HG PRO 43 HG2 PRO 43 -11.995 11.626 -4.179 310 2HG PRO 43 HG3 PRO 43 -10.438 12.300 -3.594 311 1HD PRO 43 HD2 PRO 43 -10.617 9.875 -4.900 312 2HD PRO 43 HD3 PRO 43 -9.419 10.196 -3.597 313 H THR 44 H THR 44 -14.113 10.238 -0.752 314 HA THR 44 HA THR 44 -16.173 9.925 -2.936 315 HB THR 44 HB THR 44 -16.509 9.642 0.083 316 HG1 THR 44 HG1 THR 44 -15.413 7.888 -0.881 317 1HG2 THR 44 1HG2 THR 44 -18.462 9.209 -2.222 318 2HG2 THR 44 2HG2 THR 44 -18.740 8.677 -0.552 319 3HG2 THR 44 3HG2 THR 44 -18.576 10.422 -0.900 320 H MET 45 H MET 45 -17.694 11.659 -3.090 321 HA MET 45 HA MET 45 -17.432 13.996 -1.345 322 1HB MET 45 HB2 MET 45 -16.741 15.509 -3.182 323 2HB MET 45 HB3 MET 45 -15.525 14.300 -2.838 324 1HG MET 45 HG2 MET 45 -16.617 12.929 -4.746 325 2HG MET 45 HG3 MET 45 -17.432 14.429 -5.204 326 1HE MET 45 HE1 MET 45 -16.238 16.577 -5.973 327 2HE MET 45 HE2 MET 45 -15.143 16.624 -4.563 328 3HE MET 45 HE3 MET 45 -14.484 16.753 -6.207 329 H THR 46 H THR 46 -18.969 15.646 -1.674 330 HA THR 46 HA THR 46 -20.997 15.513 -3.767 331 HB THR 46 HB THR 46 -22.933 15.679 -2.187 332 HG1 THR 46 HG1 THR 46 -21.072 14.686 -0.292 333 1HG2 THR 46 1HG2 THR 46 -23.282 13.353 -1.695 334 2HG2 THR 46 2HG2 THR 46 -22.532 13.533 -3.305 335 3HG2 THR 46 3HG2 THR 46 -21.546 13.000 -1.915 336 H TRP 47 H TRP 47 -22.570 17.429 -3.513 337 HA TRP 47 HA TRP 47 -21.681 19.671 -1.931 338 1HB TRP 47 HB2 TRP 47 -21.073 21.157 -3.839 339 2HB TRP 47 HB3 TRP 47 -19.979 19.858 -3.452 340 HD1 TRP 47 HD1 TRP 47 -20.255 17.598 -5.119 341 HE1 TRP 47 HE1 TRP 47 -19.569 17.749 -7.592 342 HE3 TRP 47 HE3 TRP 47 -21.110 22.573 -5.861 343 HZ2 TRP 47 HZ2 TRP 47 -18.945 19.888 -9.440 344 HZ3 TRP 47 HZ3 TRP 47 -20.379 23.665 -7.954 345 HH2 TRP 47 HH2 TRP 47 -19.294 22.352 -9.724 346 H THR 48 H THR 48 -22.762 21.731 -2.480 347 HA THR 48 HA THR 48 -25.637 21.229 -3.144 348 HB THR 48 HB THR 48 -26.331 22.276 -1.052 349 HG1 THR 48 HG1 THR 48 -23.571 22.529 -0.444 350 1HG2 THR 48 1HG2 THR 48 -24.195 20.252 -0.276 351 2HG2 THR 48 2HG2 THR 48 -25.589 20.776 0.677 352 3HG2 THR 48 3HG2 THR 48 -25.850 19.859 -0.827 353 H LYS 49 H LYS 49 -26.932 23.164 -3.432 354 HA LYS 49 HA LYS 49 -25.347 25.666 -3.952 355 1HB LYS 49 HB2 LYS 49 -27.112 26.433 -5.411 356 2HB LYS 49 HB3 LYS 49 -26.275 25.030 -6.029 357 1HG LYS 49 HG2 LYS 49 -28.240 24.015 -6.387 358 2HG LYS 49 HG3 LYS 49 -28.602 24.040 -4.660 359 1HD LYS 49 HD2 LYS 49 -30.425 25.165 -5.704 360 2HD LYS 49 HD3 LYS 49 -29.445 26.429 -4.997 361 1HE LYS 49 HE2 LYS 49 -28.319 26.541 -7.434 362 2HE LYS 49 HE3 LYS 49 -29.762 25.672 -7.934 363 1HZ LYS 49 HZ1 LYS 49 -29.574 28.396 -6.819 364 2HZ LYS 49 HZ2 LYS 49 -30.300 27.899 -8.160 365 3HZ LYS 49 HZ3 LYS 49 -31.015 27.537 -6.745 366 H ASP 50 H ASP 50 -25.329 26.545 -2.034 367 HA ASP 50 HA ASP 50 -25.898 27.711 -0.239 368 1HB ASP 50 HB2 ASP 50 -27.357 28.977 -1.745 369 2HB ASP 50 HB3 ASP 50 -28.702 27.898 -1.401 370 H GLY 51 H GLY 51 -27.931 24.900 -0.849 371 1HA GLY 51 HA2 GLY 51 -27.421 23.781 1.703 372 2HA GLY 51 HA3 GLY 51 -29.037 24.514 1.705 373 H GLU 52 H GLU 52 -29.500 23.759 -1.206 374 HA GLU 52 HA GLU 52 -30.312 20.978 -0.695 375 1HB GLU 52 HB2 GLU 52 -31.695 21.111 -2.637 376 2HB GLU 52 HB3 GLU 52 -31.964 22.474 -1.561 377 1HG GLU 52 HG2 GLU 52 -30.506 23.883 -3.083 378 2HG GLU 52 HG3 GLU 52 -30.356 22.474 -4.166 379 HA PRO 53 HA PRO 53 -26.922 19.220 -2.660 380 1HB PRO 53 HB2 PRO 53 -27.717 16.636 -3.189 381 2HB PRO 53 HB3 PRO 53 -27.577 17.324 -1.547 382 1HG PRO 53 HG2 PRO 53 -30.058 17.110 -3.295 383 2HG PRO 53 HG3 PRO 53 -29.881 16.577 -1.601 384 1HD PRO 53 HD2 PRO 53 -30.960 18.983 -2.215 385 2HD PRO 53 HD3 PRO 53 -29.871 18.781 -0.792 386 H ILE 54 H ILE 54 -25.800 18.727 -4.387 387 HA ILE 54 HA ILE 54 -26.967 18.486 -7.108 388 HB ILE 54 HB ILE 54 -24.254 19.641 -6.383 389 1HG1 ILE 54 2HG1 ILE 54 -26.523 21.455 -7.238 390 2HG1 ILE 54 3HG1 ILE 54 -26.324 21.099 -5.546 391 1HG2 ILE 54 1HG2 ILE 54 -24.450 18.863 -8.740 392 2HG2 ILE 54 2HG2 ILE 54 -25.923 19.831 -8.961 393 3HG2 ILE 54 3HG2 ILE 54 -24.333 20.610 -8.686 394 1HD1 ILE 54 1HD1 ILE 54 -25.130 23.133 -6.140 395 2HD1 ILE 54 2HD1 ILE 54 -24.069 21.862 -5.516 396 3HD1 ILE 54 3HD1 ILE 54 -24.080 22.209 -7.231 397 H GLU 55 H GLU 55 -26.822 16.347 -5.435 398 HA GLU 55 HA GLU 55 -24.497 14.887 -5.154 399 1HB GLU 55 HB2 GLU 55 -26.038 12.901 -4.966 400 2HB GLU 55 HB3 GLU 55 -26.281 14.283 -3.851 401 1HG GLU 55 HG2 GLU 55 -28.200 14.993 -5.401 402 2HG GLU 55 HG3 GLU 55 -27.984 13.449 -6.251 403 H GLN 56 H GLN 56 -23.109 14.806 -6.874 404 HA GLN 56 HA GLN 56 -23.657 13.721 -9.421 405 1HB GLN 56 HB2 GLN 56 -21.099 13.968 -7.806 406 2HB GLN 56 HB3 GLN 56 -21.116 13.432 -9.483 407 1HG GLN 56 HG2 GLN 56 -22.143 15.529 -10.205 408 2HG GLN 56 HG3 GLN 56 -22.160 16.131 -8.561 409 1HE2 GLN 56 1HE2 GLN 56 -18.906 16.979 -10.627 410 2HE2 GLN 56 2HE2 GLN 56 -20.501 16.694 -11.298 411 H GLU 57 H GLU 57 -24.002 12.011 -6.622 412 HA GLU 57 HA GLU 57 -23.130 9.409 -7.761 413 1HB GLU 57 HB2 GLU 57 -23.363 8.477 -5.617 414 2HB GLU 57 HB3 GLU 57 -22.426 9.967 -5.469 415 1HG GLU 57 HG2 GLU 57 -24.301 11.157 -4.551 416 2HG GLU 57 HG3 GLU 57 -25.398 9.784 -4.856 417 H ASP 58 H ASP 58 -25.916 11.260 -7.906 418 HA ASP 58 HA ASP 58 -27.490 8.939 -8.731 419 1HB ASP 58 HB2 ASP 58 -27.728 9.054 -6.195 420 2HB ASP 58 HB3 ASP 58 -28.409 10.653 -6.383 421 H ASN 59 H ASN 59 -27.183 12.434 -8.430 422 HA ASN 59 HA ASN 59 -29.587 12.836 -10.186 423 1HB ASN 59 HB2 ASN 59 -29.572 13.949 -8.001 424 2HB ASN 59 HB3 ASN 59 -28.122 14.830 -8.434 425 1HD2 ASN 59 1HD2 ASN 59 -30.547 17.341 -9.169 426 2HD2 ASN 59 2HD2 ASN 59 -29.393 16.781 -7.975 427 H GLU 60 H GLU 60 -29.550 14.235 -11.922 428 HA GLU 60 HA GLU 60 -27.077 15.001 -13.366 429 1HB GLU 60 HB2 GLU 60 -29.102 12.922 -14.326 430 2HB GLU 60 HB3 GLU 60 -27.835 13.606 -15.324 431 1HG GLU 60 HG2 GLU 60 -26.120 12.581 -13.796 432 2HG GLU 60 HG3 GLU 60 -27.444 11.769 -12.939 433 H GLU 61 H GLU 61 -29.974 15.999 -12.381 434 HA GLU 61 HA GLU 61 -31.906 16.537 -13.853 435 1HB GLU 61 HB2 GLU 61 -31.035 17.747 -11.685 436 2HB GLU 61 HB3 GLU 61 -30.638 19.079 -12.793 437 1HG GLU 61 HG2 GLU 61 -33.003 19.007 -13.624 438 2HG GLU 61 HG3 GLU 61 -33.350 17.714 -12.465 439 H LYS 62 H LYS 62 -29.112 18.558 -14.575 440 HA LYS 62 HA LYS 62 -29.590 18.451 -17.429 441 1HB LYS 62 HB2 LYS 62 -29.680 20.853 -17.917 442 2HB LYS 62 HB3 LYS 62 -31.107 20.241 -17.111 443 1HG LYS 62 HG2 LYS 62 -30.212 21.204 -14.925 444 2HG LYS 62 HG3 LYS 62 -28.895 21.928 -15.864 445 1HD LYS 62 HD2 LYS 62 -30.725 23.088 -17.267 446 2HD LYS 62 HD3 LYS 62 -31.871 22.543 -16.019 447 1HE LYS 62 HE2 LYS 62 -30.484 23.652 -14.259 448 2HE LYS 62 HE3 LYS 62 -29.340 24.151 -15.527 449 1HZ LYS 62 HZ1 LYS 62 -30.754 25.945 -15.050 450 2HZ LYS 62 HZ2 LYS 62 -31.165 25.451 -16.550 451 3HZ LYS 62 HZ3 LYS 62 -32.135 25.072 -15.266 452 H TYR 63 H TYR 63 -27.613 17.332 -16.001 453 HA TYR 63 HA TYR 63 -25.254 18.830 -16.879 454 1HB TYR 63 HB2 TYR 63 -24.228 18.982 -14.668 455 2HB TYR 63 HB3 TYR 63 -25.685 19.911 -14.794 456 HD1 TYR 63 HD1 TYR 63 -27.363 19.741 -13.131 457 HD2 TYR 63 HD2 TYR 63 -24.342 16.687 -13.499 458 HE1 TYR 63 HE1 TYR 63 -28.056 18.786 -10.945 459 HE2 TYR 63 HE2 TYR 63 -24.979 15.801 -11.280 460 HH TYR 63 HH TYR 63 -26.322 15.989 -9.503 461 H SER 64 H SER 64 -23.211 17.823 -16.474 462 HA SER 64 HA SER 64 -23.044 14.923 -16.049 463 1HB SER 64 HB2 SER 64 -21.993 14.600 -18.338 464 2HB SER 64 HB3 SER 64 -23.741 14.843 -18.315 465 HG SER 64 HG SER 64 -21.748 16.761 -19.015 466 H PHE 65 H PHE 65 -21.011 14.282 -15.489 467 HA PHE 65 HA PHE 65 -18.802 16.223 -15.433 468 1HB PHE 65 HB2 PHE 65 -18.807 15.772 -12.993 469 2HB PHE 65 HB3 PHE 65 -20.327 16.422 -13.602 470 HD1 PHE 65 HD1 PHE 65 -22.406 15.313 -13.369 471 HD2 PHE 65 HD2 PHE 65 -18.721 13.250 -12.454 472 HE1 PHE 65 HE1 PHE 65 -23.716 13.351 -12.623 473 HE2 PHE 65 HE2 PHE 65 -20.033 11.306 -11.663 474 HZ PHE 65 HZ PHE 65 -22.507 11.291 -11.827 475 H ASN 66 H ASN 66 -16.963 15.173 -14.036 476 HA ASN 66 HA ASN 66 -16.538 12.309 -14.679 477 1HB ASN 66 HB2 ASN 66 -14.162 12.809 -15.184 478 2HB ASN 66 HB3 ASN 66 -15.276 13.502 -16.345 479 1HD2 ASN 66 1HD2 ASN 66 -13.514 16.336 -13.925 480 2HD2 ASN 66 2HD2 ASN 66 -14.422 15.040 -13.162 481 H TYR 67 H TYR 67 -14.950 11.242 -13.401 482 HA TYR 67 HA TYR 67 -14.652 12.181 -10.572 483 1HB TYR 67 HB2 TYR 67 -14.108 9.481 -11.881 484 2HB TYR 67 HB3 TYR 67 -13.946 9.843 -10.187 485 HD1 TYR 67 HD1 TYR 67 -16.025 10.564 -8.858 486 HD2 TYR 67 HD2 TYR 67 -16.234 8.840 -12.831 487 HE1 TYR 67 HE1 TYR 67 -18.403 10.005 -8.498 488 HE2 TYR 67 HE2 TYR 67 -18.621 8.228 -12.404 489 HH TYR 67 HH TYR 67 -20.291 9.024 -9.348 490 H ASP 68 H ASP 68 -12.394 11.364 -9.625 491 HA ASP 68 HA ASP 68 -10.243 11.994 -9.358 492 1HB ASP 68 HB2 ASP 68 -9.992 10.265 -11.215 493 2HB ASP 68 HB3 ASP 68 -9.847 11.597 -12.351 494 H GLY 69 H GLY 69 -12.119 14.040 -9.713 495 1HA GLY 69 HA2 GLY 69 -10.640 16.474 -9.950 496 2HA GLY 69 HA3 GLY 69 -11.526 16.143 -11.464 497 H SER 70 H SER 70 -13.452 17.026 -11.541 498 HA SER 70 HA SER 70 -15.583 16.393 -9.762 499 1HB SER 70 HB2 SER 70 -14.861 17.858 -8.117 500 2HB SER 70 HB3 SER 70 -14.241 19.025 -9.295 501 HG SER 70 HG SER 70 -16.964 18.575 -8.701 502 H GLU 71 H GLU 71 -14.307 18.473 -12.190 503 HA GLU 71 HA GLU 71 -15.763 20.244 -13.287 504 1HB GLU 71 HB2 GLU 71 -14.778 17.872 -14.888 505 2HB GLU 71 HB3 GLU 71 -15.336 19.384 -15.584 506 1HG GLU 71 HG2 GLU 71 -12.927 19.361 -15.523 507 2HG GLU 71 HG3 GLU 71 -13.574 20.646 -14.512 508 H LEU 72 H LEU 72 -17.781 20.419 -12.601 509 HA LEU 72 HA LEU 72 -19.941 18.679 -13.635 510 1HB LEU 72 HB2 LEU 72 -19.993 19.455 -11.325 511 2HB LEU 72 HB3 LEU 72 -19.852 21.142 -11.837 512 HG LEU 72 HG LEU 72 -22.082 20.892 -13.016 513 1HD1 LEU 72 1HD1 LEU 72 -22.169 18.437 -13.188 514 2HD1 LEU 72 2HD1 LEU 72 -22.186 18.294 -11.398 515 3HD1 LEU 72 3HD1 LEU 72 -23.536 19.062 -12.257 516 1HD2 LEU 72 1HD2 LEU 72 -21.911 21.984 -10.847 517 2HD2 LEU 72 2HD2 LEU 72 -23.414 21.033 -10.976 518 3HD2 LEU 72 3HD2 LEU 72 -22.054 20.412 -10.015 519 H ILE 73 H ILE 73 -20.549 19.032 -15.676 520 HA ILE 73 HA ILE 73 -20.536 21.796 -16.817 521 HB ILE 73 HB ILE 73 -21.058 19.211 -18.288 522 1HG1 ILE 73 2HG1 ILE 73 -18.411 20.644 -18.576 523 2HG1 ILE 73 3HG1 ILE 73 -18.600 19.537 -17.235 524 1HG2 ILE 73 1HG2 ILE 73 -20.553 20.730 -20.266 525 2HG2 ILE 73 2HG2 ILE 73 -21.922 21.321 -19.300 526 3HG2 ILE 73 3HG2 ILE 73 -20.345 22.071 -19.108 527 1HD1 ILE 73 1HD1 ILE 73 -19.211 17.720 -18.744 528 2HD1 ILE 73 2HD1 ILE 73 -19.054 18.795 -20.152 529 3HD1 ILE 73 3HD1 ILE 73 -17.614 18.416 -19.169 530 H ILE 74 H ILE 74 -22.337 22.856 -16.653 531 HA ILE 74 HA ILE 74 -24.964 21.439 -16.338 532 HB ILE 74 HB ILE 74 -24.292 24.303 -15.584 533 1HG1 ILE 74 2HG1 ILE 74 -24.502 21.831 -13.785 534 2HG1 ILE 74 3HG1 ILE 74 -23.063 22.817 -14.095 535 1HG2 ILE 74 1HG2 ILE 74 -26.716 23.804 -16.197 536 2HG2 ILE 74 2HG2 ILE 74 -26.730 22.541 -14.923 537 3HG2 ILE 74 3HG2 ILE 74 -26.528 24.269 -14.510 538 1HD1 ILE 74 1HD1 ILE 74 -25.513 23.611 -12.514 539 2HD1 ILE 74 2HD1 ILE 74 -23.866 23.389 -11.963 540 3HD1 ILE 74 3HD1 ILE 74 -24.228 24.756 -13.030 541 H LYS 75 H LYS 75 -26.275 21.536 -18.045 542 HA LYS 75 HA LYS 75 -25.842 23.651 -20.105 543 1HB LYS 75 HB2 LYS 75 -26.781 22.203 -21.748 544 2HB LYS 75 HB3 LYS 75 -25.436 21.427 -20.920 545 1HG LYS 75 HG2 LYS 75 -27.645 20.521 -19.433 546 2HG LYS 75 HG3 LYS 75 -28.320 20.659 -21.034 547 1HD LYS 75 HD2 LYS 75 -27.527 18.421 -20.736 548 2HD LYS 75 HD3 LYS 75 -26.450 19.213 -21.899 549 1HE LYS 75 HE2 LYS 75 -24.806 19.624 -20.028 550 2HE LYS 75 HE3 LYS 75 -25.915 18.788 -18.913 551 1HZ LYS 75 HZ1 LYS 75 -24.652 17.564 -21.289 552 2HZ LYS 75 HZ2 LYS 75 -24.169 17.290 -19.743 553 3HZ LYS 75 HZ3 LYS 75 -25.658 16.788 -20.231 554 H LYS 76 H LYS 76 -27.605 24.576 -21.022 555 HA LYS 76 HA LYS 76 -29.613 25.646 -21.200 556 1HB LYS 76 HB2 LYS 76 -30.424 23.257 -21.363 557 2HB LYS 76 HB3 LYS 76 -30.791 23.284 -19.651 558 1HG LYS 76 HG2 LYS 76 -32.429 25.100 -19.984 559 2HG LYS 76 HG3 LYS 76 -32.012 25.170 -21.703 560 1HD LYS 76 HD2 LYS 76 -33.231 22.717 -20.307 561 2HD LYS 76 HD3 LYS 76 -34.117 23.936 -21.226 562 1HE LYS 76 HE2 LYS 76 -32.796 23.378 -23.250 563 2HE LYS 76 HE3 LYS 76 -31.921 22.139 -22.324 564 1HZ LYS 76 HZ1 LYS 76 -34.867 22.138 -22.822 565 2HZ LYS 76 HZ2 LYS 76 -33.774 21.173 -23.562 566 3HZ LYS 76 HZ3 LYS 76 -34.054 20.993 -21.971 567 H VAL 77 H VAL 77 -28.056 26.873 -19.622 568 HA VAL 77 HA VAL 77 -28.894 27.031 -16.874 569 HB VAL 77 HB VAL 77 -26.912 28.594 -18.544 570 1HG1 VAL 77 1HG1 VAL 77 -25.943 29.453 -16.423 571 2HG1 VAL 77 2HG1 VAL 77 -27.543 30.119 -16.727 572 3HG1 VAL 77 3HG1 VAL 77 -27.361 28.835 -15.550 573 1HG2 VAL 77 1HG2 VAL 77 -26.635 26.429 -16.396 574 2HG2 VAL 77 2HG2 VAL 77 -26.342 26.218 -18.141 575 3HG2 VAL 77 3HG2 VAL 77 -25.292 27.274 -17.179 576 H ASP 78 H ASP 78 -29.968 28.550 -15.745 577 HA ASP 78 HA ASP 78 -30.918 31.014 -17.042 578 1HB ASP 78 HB2 ASP 78 -32.601 28.935 -17.181 579 2HB ASP 78 HB3 ASP 78 -32.985 29.479 -15.542 580 H LYS 79 H LYS 79 -32.367 32.176 -15.109 581 HA LYS 79 HA LYS 79 -30.381 32.920 -13.169 582 1HB LYS 79 HB2 LYS 79 -33.351 33.594 -13.341 583 2HB LYS 79 HB3 LYS 79 -32.248 34.247 -12.126 584 1HG LYS 79 HG2 LYS 79 -30.801 35.185 -13.947 585 2HG LYS 79 HG3 LYS 79 -31.931 34.555 -15.141 586 1HD LYS 79 HD2 LYS 79 -32.372 36.909 -14.807 587 2HD LYS 79 HD3 LYS 79 -33.747 35.974 -14.235 588 1HE LYS 79 HE2 LYS 79 -32.983 36.210 -11.911 589 2HE LYS 79 HE3 LYS 79 -31.556 37.105 -12.457 590 1HZ LYS 79 HZ1 LYS 79 -34.369 38.010 -12.847 591 2HZ LYS 79 HZ2 LYS 79 -33.375 38.594 -11.720 592 3HZ LYS 79 HZ3 LYS 79 -33.017 38.849 -13.288 593 H SER 80 H SER 80 -32.695 30.338 -13.033 594 HA SER 80 HA SER 80 -32.792 30.013 -10.167 595 1HB SER 80 HB2 SER 80 -33.684 27.747 -10.846 596 2HB SER 80 HB3 SER 80 -34.536 29.137 -11.533 597 HG SER 80 HG SER 80 -32.714 27.362 -12.828 598 H ASP 81 H ASP 81 -30.246 29.467 -12.430 599 HA ASP 81 HA ASP 81 -28.932 27.416 -10.788 600 1HB ASP 81 HB2 ASP 81 -28.047 28.810 -13.326 601 2HB ASP 81 HB3 ASP 81 -27.168 27.509 -12.542 602 H GLU 82 H GLU 82 -29.254 30.722 -10.328 603 HA GLU 82 HA GLU 82 -26.608 31.487 -9.550 604 1HB GLU 82 HB2 GLU 82 -28.387 33.103 -9.796 605 2HB GLU 82 HB3 GLU 82 -29.317 32.341 -8.492 606 1HG GLU 82 HG2 GLU 82 -27.570 32.946 -6.858 607 2HG GLU 82 HG3 GLU 82 -26.541 33.542 -8.147 608 H ALA 83 H ALA 83 -25.371 30.878 -7.765 609 HA ALA 83 HA ALA 83 -26.570 29.345 -5.570 610 1HB ALA 83 HB1 ALA 83 -26.413 27.651 -7.353 611 2HB ALA 83 HB2 ALA 83 -24.745 28.138 -7.688 612 3HB ALA 83 HB3 ALA 83 -25.122 27.324 -6.184 613 H GLU 84 H GLU 84 -25.259 28.815 -3.893 614 HA GLU 84 HA GLU 84 -22.479 29.838 -3.819 615 1HB GLU 84 HB2 GLU 84 -24.003 30.949 -2.211 616 2HB GLU 84 HB3 GLU 84 -24.366 29.372 -1.458 617 1HG GLU 84 HG2 GLU 84 -22.032 29.121 -0.786 618 2HG GLU 84 HG3 GLU 84 -21.559 30.515 -1.722 619 H TYR 85 H TYR 85 -21.397 28.099 -4.527 620 HA TYR 85 HA TYR 85 -22.455 25.406 -4.235 621 1HB TYR 85 HB2 TYR 85 -20.209 26.625 -5.799 622 2HB TYR 85 HB3 TYR 85 -20.466 24.880 -5.760 623 HD1 TYR 85 HD1 TYR 85 -23.057 24.221 -6.134 624 HD2 TYR 85 HD2 TYR 85 -21.069 27.679 -7.757 625 HE1 TYR 85 HE1 TYR 85 -24.647 24.249 -8.077 626 HE2 TYR 85 HE2 TYR 85 -22.611 27.644 -9.699 627 HH TYR 85 HH TYR 85 -24.393 26.582 -10.718 628 H ILE 86 H ILE 86 -22.210 25.173 -1.960 629 HA ILE 86 HA ILE 86 -19.463 24.978 -0.827 630 HB ILE 86 HB ILE 86 -22.146 24.305 0.448 631 1HG1 ILE 86 2HG1 ILE 86 -20.454 26.838 0.679 632 2HG1 ILE 86 3HG1 ILE 86 -21.991 26.700 -0.187 633 1HG2 ILE 86 1HG2 ILE 86 -19.323 24.703 1.629 634 2HG2 ILE 86 2HG2 ILE 86 -20.795 24.345 2.566 635 3HG2 ILE 86 3HG2 ILE 86 -20.157 23.137 1.462 636 1HD1 ILE 86 1HD1 ILE 86 -23.088 26.068 1.945 637 2HD1 ILE 86 2HD1 ILE 86 -21.578 26.488 2.791 638 3HD1 ILE 86 3HD1 ILE 86 -22.457 27.706 1.862 639 H CYS 87 H CYS 87 -18.320 23.173 -0.709 640 HA CYS 87 HA CYS 87 -19.538 20.601 -1.512 641 1HB CYS 87 HB2 CYS 87 -17.751 20.372 -3.214 642 2HB CYS 87 HB3 CYS 87 -18.734 21.785 -3.478 643 H ILE 88 H ILE 88 -18.614 18.753 -0.843 644 HA ILE 88 HA ILE 88 -16.499 18.909 1.283 645 HB ILE 88 HB ILE 88 -19.172 17.458 1.349 646 1HG1 ILE 88 2HG1 ILE 88 -18.166 19.817 2.986 647 2HG1 ILE 88 3HG1 ILE 88 -19.380 19.894 1.709 648 1HG2 ILE 88 1HG2 ILE 88 -17.471 16.098 2.492 649 2HG2 ILE 88 2HG2 ILE 88 -16.929 17.503 3.414 650 3HG2 ILE 88 3HG2 ILE 88 -18.534 16.820 3.690 651 1HD1 ILE 88 1HD1 ILE 88 -19.735 18.534 4.380 652 2HD1 ILE 88 2HD1 ILE 88 -20.518 19.983 3.794 653 3HD1 ILE 88 3HD1 ILE 88 -20.879 18.436 3.019 654 H ALA 89 H ALA 89 -15.109 17.225 1.410 655 HA ALA 89 HA ALA 89 -15.648 14.742 -0.131 656 1HB ALA 89 HB1 ALA 89 -13.369 14.620 -0.944 657 2HB ALA 89 HB2 ALA 89 -14.112 16.122 -1.484 658 3HB ALA 89 HB3 ALA 89 -12.980 16.144 -0.093 659 H GLU 90 H GLU 90 -14.763 12.869 0.681 660 HA GLU 90 HA GLU 90 -13.481 12.888 3.348 661 1HB GLU 90 HB2 GLU 90 -16.023 12.935 3.568 662 2HB GLU 90 HB3 GLU 90 -16.052 11.395 2.686 663 1HG GLU 90 HG2 GLU 90 -14.651 10.386 4.526 664 2HG GLU 90 HG3 GLU 90 -14.750 11.936 5.382 665 H ASN 91 H ASN 91 -12.186 11.048 3.719 666 HA ASN 91 HA ASN 91 -12.634 8.657 2.098 667 1HB ASN 91 HB2 ASN 91 -10.665 8.490 0.894 668 2HB ASN 91 HB3 ASN 91 -11.121 10.180 0.667 669 1HD2 ASN 91 1HD2 ASN 91 -7.450 9.940 1.329 670 2HD2 ASN 91 2HD2 ASN 91 -8.501 9.119 0.173 671 H LYS 92 H LYS 92 -10.257 7.362 2.614 672 HA LYS 92 HA LYS 92 -10.769 6.425 5.311 673 1HB LYS 92 HB2 LYS 92 -8.451 5.154 4.293 674 2HB LYS 92 HB3 LYS 92 -10.074 4.502 4.422 675 1HG LYS 92 HG2 LYS 92 -8.986 5.994 1.985 676 2HG LYS 92 HG3 LYS 92 -8.945 4.259 2.222 677 1HD LYS 92 HD2 LYS 92 -11.480 4.238 2.262 678 2HD LYS 92 HD3 LYS 92 -11.447 5.973 1.793 679 1HE LYS 92 HE2 LYS 92 -10.002 5.371 -0.150 680 2HE LYS 92 HE3 LYS 92 -10.250 3.661 0.255 681 1HZ LYS 92 HZ1 LYS 92 -12.269 5.641 -0.637 682 2HZ LYS 92 HZ2 LYS 92 -11.796 4.284 -1.413 683 3HZ LYS 92 HZ3 LYS 92 -12.695 4.148 -0.050 684 H ALA 93 H ALA 93 -8.679 8.802 4.141 685 HA ALA 93 HA ALA 93 -6.820 8.657 6.469 686 1HB ALA 93 HB1 ALA 93 -5.401 10.124 5.126 687 2HB ALA 93 HB2 ALA 93 -5.788 8.631 4.247 688 3HB ALA 93 HB3 ALA 93 -6.588 10.148 3.824 689 H GLY 94 H GLY 94 -9.414 10.682 5.103 690 1HA GLY 94 HA2 GLY 94 -9.598 12.342 7.453 691 2HA GLY 94 HA3 GLY 94 -8.637 13.163 6.232 692 H GLU 95 H GLU 95 -10.236 14.783 6.261 693 HA GLU 95 HA GLU 95 -12.524 14.497 4.437 694 1HB GLU 95 HB2 GLU 95 -13.322 13.717 6.682 695 2HB GLU 95 HB3 GLU 95 -12.886 15.289 7.341 696 1HG GLU 95 HG2 GLU 95 -14.500 16.344 5.704 697 2HG GLU 95 HG3 GLU 95 -15.010 14.718 5.237 698 H GLN 96 H GLN 96 -13.135 16.559 3.553 699 HA GLN 96 HA GLN 96 -12.128 19.030 4.770 700 1HB GLN 96 HB2 GLN 96 -10.187 17.781 3.374 701 2HB GLN 96 HB3 GLN 96 -11.071 18.453 2.017 702 1HG GLN 96 HG2 GLN 96 -9.132 19.779 2.655 703 2HG GLN 96 HG3 GLN 96 -10.619 20.720 2.756 704 1HE2 GLN 96 1HE2 GLN 96 -9.868 18.495 5.476 705 2HE2 GLN 96 2HE2 GLN 96 -9.266 19.783 6.511 706 H ASP 97 H ASP 97 -12.518 20.972 3.186 707 HA ASP 97 HA ASP 97 -14.772 20.617 1.345 708 1HB ASP 97 HB2 ASP 97 -16.299 22.037 2.571 709 2HB ASP 97 HB3 ASP 97 -15.848 20.662 3.559 710 H ALA 98 H ALA 98 -15.354 22.418 0.140 711 HA ALA 98 HA ALA 98 -13.925 24.991 0.413 712 1HB ALA 98 HB1 ALA 98 -12.591 23.607 -1.135 713 2HB ALA 98 HB2 ALA 98 -13.993 23.435 -2.213 714 3HB ALA 98 HB3 ALA 98 -13.241 25.039 -1.956 715 H THR 99 H THR 99 -14.898 26.596 -1.408 716 HA THR 99 HA THR 99 -17.803 26.169 -1.890 717 HB THR 99 HB THR 99 -16.605 28.523 -0.383 718 HG1 THR 99 HG1 THR 99 -17.037 26.650 0.853 719 1HG2 THR 99 1HG2 THR 99 -19.456 27.983 -1.388 720 2HG2 THR 99 2HG2 THR 99 -19.029 29.246 -0.186 721 3HG2 THR 99 3HG2 THR 99 -18.423 29.353 -1.836 722 H ILE 100 H ILE 100 -18.229 26.700 -3.912 723 HA ILE 100 HA ILE 100 -16.707 28.855 -5.322 724 HB ILE 100 HB ILE 100 -18.586 27.368 -7.007 725 1HG1 ILE 100 2HG1 ILE 100 -16.159 25.772 -6.110 726 2HG1 ILE 100 3HG1 ILE 100 -17.864 25.449 -5.667 727 1HG2 ILE 100 1HG2 ILE 100 -16.912 29.075 -7.736 728 2HG2 ILE 100 2HG2 ILE 100 -15.635 27.940 -7.298 729 3HG2 ILE 100 3HG2 ILE 100 -16.770 27.536 -8.593 730 1HD1 ILE 100 1HD1 ILE 100 -16.737 25.324 -8.476 731 2HD1 ILE 100 2HD1 ILE 100 -17.334 23.999 -7.512 732 3HD1 ILE 100 3HD1 ILE 100 -18.466 25.240 -8.058 733 H HIS 101 H HIS 101 -18.247 30.128 -6.885 734 HA HIS 101 HA HIS 101 -21.021 30.421 -5.873 735 1HB HIS 101 HB2 HIS 101 -19.164 32.758 -6.468 736 2HB HIS 101 HB3 HIS 101 -20.832 32.834 -5.904 737 HD1 HIS 101 HD1 HIS 101 -17.264 32.219 -4.759 738 HD2 HIS 101 HD2 HIS 101 -21.163 32.376 -3.193 739 HE1 HIS 101 HE1 HIS 101 -16.989 32.324 -2.205 740 H LEU 102 H LEU 102 -22.446 31.463 -7.517 741 HA LEU 102 HA LEU 102 -21.355 31.931 -10.225 742 1HB LEU 102 HB2 LEU 102 -21.846 29.626 -10.353 743 2HB LEU 102 HB3 LEU 102 -23.387 29.831 -9.500 744 HG LEU 102 HG LEU 102 -24.398 30.929 -11.374 745 1HD1 LEU 102 1HD1 LEU 102 -21.772 30.635 -12.884 746 2HD1 LEU 102 2HD1 LEU 102 -23.314 31.255 -13.531 747 3HD1 LEU 102 3HD1 LEU 102 -22.475 32.173 -12.304 748 1HD2 LEU 102 1HD2 LEU 102 -24.388 29.082 -13.015 749 2HD2 LEU 102 2HD2 LEU 102 -22.884 28.457 -12.292 750 3HD2 LEU 102 3HD2 LEU 102 -24.386 28.477 -11.340 751 H LYS 103 H LYS 103 -21.821 33.988 -10.387 752 HA LYS 103 HA LYS 103 -24.500 35.085 -9.633 753 1HB LYS 103 HB2 LYS 103 -21.883 36.346 -10.571 754 2HB LYS 103 HB3 LYS 103 -23.372 37.259 -10.318 755 1HG LYS 103 HG2 LYS 103 -21.870 35.669 -8.193 756 2HG LYS 103 HG3 LYS 103 -21.834 37.414 -8.390 757 1HD LYS 103 HD2 LYS 103 -24.264 35.744 -7.575 758 2HD LYS 103 HD3 LYS 103 -23.294 36.764 -6.526 759 1HE LYS 103 HE2 LYS 103 -23.951 38.779 -7.697 760 2HE LYS 103 HE3 LYS 103 -24.838 37.880 -8.916 761 1HZ LYS 103 HZ1 LYS 103 -25.533 37.829 -6.047 762 2HZ LYS 103 HZ2 LYS 103 -26.291 38.773 -7.154 763 3HZ LYS 103 HZ3 LYS 103 -26.384 37.130 -7.272 764 H VAL 104 H VAL 104 -26.013 34.623 -11.075 765 HA VAL 104 HA VAL 104 -25.472 34.617 -13.995 766 HB VAL 104 HB VAL 104 -27.969 33.765 -12.451 767 1HG1 VAL 104 1HG1 VAL 104 -28.475 32.516 -14.562 768 2HG1 VAL 104 2HG1 VAL 104 -28.562 34.277 -14.721 769 3HG1 VAL 104 3HG1 VAL 104 -27.151 33.378 -15.362 770 1HG2 VAL 104 1HG2 VAL 104 -26.108 32.288 -11.877 771 2HG2 VAL 104 2HG2 VAL 104 -27.200 31.449 -12.959 772 3HG2 VAL 104 3HG2 VAL 104 -25.683 32.099 -13.596 773 H PHE 105 H PHE 105 -26.326 36.095 -15.427 774 HA PHE 105 HA PHE 105 -28.385 38.043 -14.536 775 1HB PHE 105 HB2 PHE 105 -27.029 39.572 -16.134 776 2HB PHE 105 HB3 PHE 105 -26.479 39.377 -14.486 777 HD1 PHE 105 HD1 PHE 105 -25.885 38.024 -17.973 778 HD2 PHE 105 HD2 PHE 105 -24.235 38.821 -14.077 779 HE1 PHE 105 HE1 PHE 105 -23.638 37.363 -18.787 780 HE2 PHE 105 HE2 PHE 105 -21.969 38.225 -14.938 781 HZ PHE 105 HZ PHE 105 -21.701 37.490 -17.293 782 H ALA 106 H ALA 106 -29.487 39.023 -16.501 783 HA ALA 106 HA ALA 106 -29.778 36.990 -18.652 784 1HB ALA 106 HB1 ALA 106 -31.717 37.164 -17.117 785 2HB ALA 106 HB2 ALA 106 -31.878 38.888 -17.532 786 3HB ALA 106 HB3 ALA 106 -32.137 37.643 -18.766 787 H LYS 107 H LYS 107 -27.881 39.027 -18.701 788 HA LYS 107 HA LYS 107 -28.671 40.589 -21.135 789 1HB LYS 107 HB2 LYS 107 -26.896 41.550 -18.849 790 2HB LYS 107 HB3 LYS 107 -27.385 42.472 -20.288 791 1HG LYS 107 HG2 LYS 107 -29.765 42.275 -19.537 792 2HG LYS 107 HG3 LYS 107 -29.189 41.480 -18.067 793 1HD LYS 107 HD2 LYS 107 -28.437 44.300 -18.957 794 2HD LYS 107 HD3 LYS 107 -29.669 43.891 -17.747 795 1HE LYS 107 HE2 LYS 107 -27.930 42.882 -16.307 796 2HE LYS 107 HE3 LYS 107 -26.691 43.279 -17.520 797 1HZ LYS 107 HZ1 LYS 107 -28.334 45.273 -16.068 798 2HZ LYS 107 HZ2 LYS 107 -26.746 44.959 -15.807 799 3HZ LYS 107 HZ3 LYS 107 -27.228 45.627 -17.213 Start of MODEL 19 1 1H GLY 1 H1 GLY 1 -11.373 -1.702 2.824 2 2H GLY 1 H2 GLY 1 -10.075 -2.375 3.539 3 3H GLY 1 H3 GLY 1 -10.240 -0.730 3.540 4 1HA GLY 1 HA2 GLY 1 -9.788 -2.421 1.138 5 2HA GLY 1 HA3 GLY 1 -10.003 -0.669 1.127 6 H LYS 2 H LYS 2 -7.980 0.123 0.592 7 HA LYS 2 HA LYS 2 -5.573 -1.074 1.838 8 1HB LYS 2 HB2 LYS 2 -5.863 0.921 -0.444 9 2HB LYS 2 HB3 LYS 2 -4.322 0.460 0.247 10 1HG LYS 2 HG2 LYS 2 -6.262 -1.430 -1.110 11 2HG LYS 2 HG3 LYS 2 -4.735 -0.799 -1.761 12 1HD LYS 2 HD2 LYS 2 -3.550 -1.975 0.217 13 2HD LYS 2 HD3 LYS 2 -5.099 -2.691 0.616 14 1HE LYS 2 HE2 LYS 2 -3.881 -4.336 -0.602 15 2HE LYS 2 HE3 LYS 2 -5.197 -3.784 -1.622 16 1HZ LYS 2 HZ1 LYS 2 -2.378 -2.856 -1.856 17 2HZ LYS 2 HZ2 LYS 2 -3.089 -3.966 -2.824 18 3HZ LYS 2 HZ3 LYS 2 -3.596 -2.435 -2.845 19 H ASP 3 H ASP 3 -7.201 0.129 3.546 20 HA ASP 3 HA ASP 3 -5.704 2.359 4.755 21 1HB ASP 3 HB2 ASP 3 -7.436 1.938 6.634 22 2HB ASP 3 HB3 ASP 3 -7.930 2.754 5.184 23 H ILE 4 H ILE 4 -3.899 0.768 4.332 24 HA ILE 4 HA ILE 4 -3.556 -1.581 5.974 25 HB ILE 4 HB ILE 4 -1.543 0.071 4.406 26 1HG1 ILE 4 2HG1 ILE 4 -3.263 -0.677 2.858 27 2HG1 ILE 4 3HG1 ILE 4 -1.834 -1.635 2.610 28 1HG2 ILE 4 1HG2 ILE 4 -0.282 -1.378 5.833 29 2HG2 ILE 4 2HG2 ILE 4 -1.351 -2.767 5.526 30 3HG2 ILE 4 3HG2 ILE 4 -0.280 -2.155 4.254 31 1HD1 ILE 4 1HD1 ILE 4 -2.923 -3.477 3.997 32 2HD1 ILE 4 2HD1 ILE 4 -4.399 -2.490 4.007 33 3HD1 ILE 4 3HD1 ILE 4 -3.753 -3.103 2.479 34 H GLN 5 H GLN 5 -1.787 -1.830 7.631 35 HA GLN 5 HA GLN 5 -1.665 0.390 9.554 36 1HB GLN 5 HB2 GLN 5 -0.436 -2.404 9.608 37 2HB GLN 5 HB3 GLN 5 -0.398 -1.232 10.921 38 1HG GLN 5 HG2 GLN 5 -2.167 -2.748 11.464 39 2HG GLN 5 HG3 GLN 5 -2.937 -1.245 10.933 40 1HE2 GLN 5 1HE2 GLN 5 -5.019 -3.399 9.003 41 2HE2 GLN 5 2HE2 GLN 5 -4.933 -2.273 10.338 42 H VAL 6 H VAL 6 -0.562 1.079 7.129 43 HA VAL 6 HA VAL 6 2.180 1.926 7.642 44 HB VAL 6 HB VAL 6 1.545 0.127 5.264 45 1HG1 VAL 6 1HG1 VAL 6 4.026 0.282 4.852 46 2HG1 VAL 6 2HG1 VAL 6 3.159 1.782 4.572 47 3HG1 VAL 6 3HG1 VAL 6 4.106 1.540 6.095 48 1HG2 VAL 6 1HG2 VAL 6 3.268 -1.389 6.156 49 2HG2 VAL 6 2HG2 VAL 6 3.358 -0.394 7.640 50 3HG2 VAL 6 3HG2 VAL 6 1.880 -1.298 7.240 51 H ILE 7 H ILE 7 2.691 3.615 5.947 52 HA ILE 7 HA ILE 7 0.384 5.181 5.142 53 HB ILE 7 HB ILE 7 3.302 5.563 4.349 54 1HG1 ILE 7 2HG1 ILE 7 1.759 6.754 6.688 55 2HG1 ILE 7 3HG1 ILE 7 3.049 5.556 6.828 56 1HG2 ILE 7 1HG2 ILE 7 2.640 7.857 3.811 57 2HG2 ILE 7 2HG2 ILE 7 1.571 6.760 2.946 58 3HG2 ILE 7 3HG2 ILE 7 0.979 7.531 4.395 59 1HD1 ILE 7 1HD1 ILE 7 4.640 7.209 5.808 60 2HD1 ILE 7 2HD1 ILE 7 3.363 8.442 5.933 61 3HD1 ILE 7 3HD1 ILE 7 3.970 7.666 7.396 62 H VAL 8 H VAL 8 -0.876 4.320 3.745 63 HA VAL 8 HA VAL 8 0.029 3.611 0.987 64 HB VAL 8 HB VAL 8 -1.800 1.872 2.680 65 1HG1 VAL 8 1HG1 VAL 8 -0.872 1.498 -0.212 66 2HG1 VAL 8 2HG1 VAL 8 -1.835 0.344 0.744 67 3HG1 VAL 8 3HG1 VAL 8 -2.513 1.906 0.314 68 1HG2 VAL 8 1HG2 VAL 8 -0.095 0.115 2.284 69 2HG2 VAL 8 2HG2 VAL 8 1.003 1.329 1.610 70 3HG2 VAL 8 3HG2 VAL 8 0.498 1.421 3.306 71 H ASN 9 H ASN 9 -2.760 4.227 3.114 72 HA ASN 9 HA ASN 9 -4.396 5.336 0.954 73 1HB ASN 9 HB2 ASN 9 -5.923 6.000 2.771 74 2HB ASN 9 HB3 ASN 9 -5.492 4.279 2.776 75 1HD2 ASN 9 1HD2 ASN 9 -3.612 6.160 5.851 76 2HD2 ASN 9 2HD2 ASN 9 -3.220 6.654 4.211 77 H VAL 10 H VAL 10 -5.088 7.530 0.825 78 HA VAL 10 HA VAL 10 -3.208 9.572 1.898 79 HB VAL 10 HB VAL 10 -4.169 9.487 -0.963 80 1HG1 VAL 10 1HG1 VAL 10 -2.661 11.503 -1.202 81 2HG1 VAL 10 2HG1 VAL 10 -3.989 11.807 -0.090 82 3HG1 VAL 10 3HG1 VAL 10 -2.375 11.455 0.560 83 1HG2 VAL 10 1HG2 VAL 10 -1.416 9.068 0.256 84 2HG2 VAL 10 2HG2 VAL 10 -2.369 7.870 -0.614 85 3HG2 VAL 10 3HG2 VAL 10 -1.736 9.276 -1.467 86 HA PRO 11 HA PRO 11 -7.176 11.296 3.366 87 1HB PRO 11 HB2 PRO 11 -5.178 13.561 3.663 88 2HB PRO 11 HB3 PRO 11 -6.510 13.103 4.777 89 1HG PRO 11 HG2 PRO 11 -4.022 12.330 5.318 90 2HG PRO 11 HG3 PRO 11 -5.358 11.134 5.466 91 1HD PRO 11 HD2 PRO 11 -3.345 11.448 3.233 92 2HD PRO 11 HD3 PRO 11 -3.987 9.951 4.006 93 HA PRO 12 HA PRO 12 -8.166 13.643 -0.298 94 1HB PRO 12 HB2 PRO 12 -10.589 14.709 0.302 95 2HB PRO 12 HB3 PRO 12 -10.361 12.937 0.174 96 1HG PRO 12 HG2 PRO 12 -10.341 14.659 2.676 97 2HG PRO 12 HG3 PRO 12 -11.228 13.127 2.370 98 1HD PRO 12 HD2 PRO 12 -8.789 13.267 3.698 99 2HD PRO 12 HD3 PRO 12 -9.304 11.847 2.735 100 H SER 13 H SER 13 -8.248 15.854 -1.107 101 HA SER 13 HA SER 13 -7.649 18.043 0.827 102 1HB SER 13 HB2 SER 13 -5.542 18.544 -0.276 103 2HB SER 13 HB3 SER 13 -5.561 16.906 0.362 104 HG SER 13 HG SER 13 -4.735 16.889 -1.748 105 H VAL 14 H VAL 14 -10.025 18.105 -0.493 106 HA VAL 14 HA VAL 14 -9.960 19.168 -3.086 107 HB VAL 14 HB VAL 14 -11.893 18.083 -2.049 108 1HG1 VAL 14 1HG1 VAL 14 -13.492 19.331 -0.683 109 2HG1 VAL 14 2HG1 VAL 14 -11.949 19.168 0.163 110 3HG1 VAL 14 3HG1 VAL 14 -12.384 20.717 -0.592 111 1HG2 VAL 14 1HG2 VAL 14 -12.201 19.526 -4.099 112 2HG2 VAL 14 2HG2 VAL 14 -13.640 19.427 -3.097 113 3HG2 VAL 14 3HG2 VAL 14 -12.638 20.878 -3.023 114 H ARG 15 H ARG 15 -10.118 21.129 -4.052 115 HA ARG 15 HA ARG 15 -10.128 23.595 -2.375 116 1HB ARG 15 HB2 ARG 15 -8.685 23.859 -4.944 117 2HB ARG 15 HB3 ARG 15 -8.449 24.689 -3.423 118 1HG ARG 15 HG2 ARG 15 -6.543 23.584 -3.559 119 2HG ARG 15 HG3 ARG 15 -7.496 22.406 -2.609 120 1HD ARG 15 HD2 ARG 15 -8.112 21.728 -5.241 121 2HD ARG 15 HD3 ARG 15 -6.425 22.275 -5.429 122 HE ARG 15 HE ARG 15 -6.746 20.387 -3.230 123 1HH1 ARG 15 1HH1 ARG 15 -6.224 18.239 -3.402 124 2HH1 ARG 15 2HH1 ARG 15 -6.182 17.527 -5.028 125 1HH2 ARG 15 1HH2 ARG 15 -6.529 18.576 -6.726 126 2HH2 ARG 15 2HH2 ARG 15 -7.049 20.266 -6.749 127 H ALA 16 H ALA 16 -10.326 25.442 -3.866 128 HA ALA 16 HA ALA 16 -12.722 25.096 -5.631 129 1HB ALA 16 HB1 ALA 16 -13.145 26.682 -3.828 130 2HB ALA 16 HB2 ALA 16 -11.650 27.573 -4.216 131 3HB ALA 16 HB3 ALA 16 -12.999 27.564 -5.376 132 H ARG 17 H ARG 17 -12.312 25.196 -7.807 133 HA ARG 17 HA ARG 17 -9.655 25.926 -8.833 134 1HB ARG 17 HB2 ARG 17 -11.262 24.116 -9.748 135 2HB ARG 17 HB3 ARG 17 -12.082 25.463 -10.561 136 1HG ARG 17 HG2 ARG 17 -9.821 26.080 -11.597 137 2HG ARG 17 HG3 ARG 17 -9.156 24.610 -10.873 138 1HD ARG 17 HD2 ARG 17 -11.524 24.658 -12.790 139 2HD ARG 17 HD3 ARG 17 -9.840 24.473 -13.304 140 HE ARG 17 HE ARG 17 -11.554 22.418 -12.171 141 1HH1 ARG 17 1HH1 ARG 17 -10.820 20.312 -12.188 142 2HH1 ARG 17 2HH1 ARG 17 -9.113 19.993 -12.287 143 1HH2 ARG 17 1HH2 ARG 17 -8.142 23.248 -12.546 144 2HH2 ARG 17 2HH2 ARG 17 -7.669 21.575 -12.506 145 H GLN 18 H GLN 18 -12.756 27.563 -8.587 146 HA GLN 18 HA GLN 18 -11.465 30.155 -8.951 147 1HB GLN 18 HB2 GLN 18 -12.226 29.426 -11.263 148 2HB GLN 18 HB3 GLN 18 -13.882 29.504 -10.680 149 1HG GLN 18 HG2 GLN 18 -13.614 31.885 -10.136 150 2HG GLN 18 HG3 GLN 18 -11.896 31.824 -10.531 151 1HE2 GLN 18 1HE2 GLN 18 -14.401 32.891 -13.395 152 2HE2 GLN 18 2HE2 GLN 18 -14.725 32.973 -11.668 153 H SER 19 H SER 19 -12.468 31.698 -7.627 154 HA SER 19 HA SER 19 -14.186 30.615 -5.571 155 1HB SER 19 HB2 SER 19 -13.261 33.482 -6.008 156 2HB SER 19 HB3 SER 19 -13.867 32.793 -4.484 157 HG SER 19 HG SER 19 -12.033 31.472 -4.398 158 H THR 20 H THR 20 -14.941 32.483 -8.422 159 HA THR 20 HA THR 20 -17.816 32.517 -7.853 160 HB THR 20 HB THR 20 -16.315 35.169 -8.108 161 HG1 THR 20 HG1 THR 20 -16.931 33.776 -6.003 162 1HG2 THR 20 1HG2 THR 20 -18.457 35.344 -9.302 163 2HG2 THR 20 2HG2 THR 20 -19.326 34.578 -7.954 164 3HG2 THR 20 3HG2 THR 20 -18.587 36.180 -7.749 165 H MET 21 H MET 21 -18.854 32.210 -9.611 166 HA MET 21 HA MET 21 -17.638 32.615 -12.321 167 1HB MET 21 HB2 MET 21 -19.704 30.652 -11.227 168 2HB MET 21 HB3 MET 21 -19.351 30.844 -12.926 169 1HG MET 21 HG2 MET 21 -17.340 30.059 -10.771 170 2HG MET 21 HG3 MET 21 -18.194 28.934 -11.805 171 1HE MET 21 HE1 MET 21 -16.669 29.509 -15.338 172 2HE MET 21 HE2 MET 21 -17.999 28.823 -14.394 173 3HE MET 21 HE3 MET 21 -17.988 30.556 -14.771 174 H ASN 22 H ASN 22 -19.136 33.123 -14.025 175 HA ASN 22 HA ASN 22 -21.701 34.415 -13.270 176 1HB ASN 22 HB2 ASN 22 -19.576 35.612 -15.098 177 2HB ASN 22 HB3 ASN 22 -21.185 36.253 -14.889 178 1HD2 ASN 22 1HD2 ASN 22 -18.360 37.279 -12.234 179 2HD2 ASN 22 2HD2 ASN 22 -17.988 36.269 -13.621 180 H ALA 23 H ALA 23 -23.284 34.327 -14.990 181 HA ALA 23 HA ALA 23 -22.615 33.041 -17.554 182 1HB ALA 23 HB1 ALA 23 -24.147 31.146 -17.191 183 2HB ALA 23 HB2 ALA 23 -22.794 31.090 -16.036 184 3HB ALA 23 HB3 ALA 23 -24.396 31.626 -15.502 185 H THR 24 H THR 24 -24.259 33.040 -19.102 186 HA THR 24 HA THR 24 -26.276 35.174 -18.730 187 HB THR 24 HB THR 24 -25.561 33.739 -21.292 188 HG1 THR 24 HG1 THR 24 -24.305 35.956 -20.070 189 1HG2 THR 24 1HG2 THR 24 -27.550 35.165 -21.442 190 2HG2 THR 24 2HG2 THR 24 -26.689 36.506 -20.640 191 3HG2 THR 24 3HG2 THR 24 -26.209 35.961 -22.259 192 H ALA 25 H ALA 25 -28.335 34.734 -18.389 193 HA ALA 25 HA ALA 25 -29.529 32.063 -18.847 194 1HB ALA 25 HB1 ALA 25 -30.072 33.228 -16.812 195 2HB ALA 25 HB2 ALA 25 -30.613 34.679 -17.707 196 3HB ALA 25 HB3 ALA 25 -31.536 33.204 -17.796 197 H ASN 26 H ASN 26 -31.774 32.027 -19.774 198 HA ASN 26 HA ASN 26 -33.258 32.143 -21.394 199 1HB ASN 26 HB2 ASN 26 -32.321 34.941 -22.042 200 2HB ASN 26 HB3 ASN 26 -33.858 34.236 -22.415 201 1HD2 ASN 26 1HD2 ASN 26 -34.446 34.363 -18.604 202 2HD2 ASN 26 2HD2 ASN 26 -33.967 32.952 -19.531 203 H LEU 27 H LEU 27 -30.045 32.114 -22.222 204 HA LEU 27 HA LEU 27 -30.444 31.789 -25.123 205 1HB LEU 27 HB2 LEU 27 -27.953 31.649 -23.389 206 2HB LEU 27 HB3 LEU 27 -28.000 31.545 -25.147 207 HG LEU 27 HG LEU 27 -28.715 33.952 -23.487 208 1HD1 LEU 27 1HD1 LEU 27 -26.309 33.435 -23.718 209 2HD1 LEU 27 2HD1 LEU 27 -26.477 33.483 -25.481 210 3HD1 LEU 27 3HD1 LEU 27 -26.761 34.948 -24.498 211 1HD2 LEU 27 1HD2 LEU 27 -28.805 33.609 -26.512 212 2HD2 LEU 27 2HD2 LEU 27 -30.159 34.028 -25.443 213 3HD2 LEU 27 3HD2 LEU 27 -28.840 35.166 -25.691 214 H SER 28 H SER 28 -30.676 29.760 -22.428 215 HA SER 28 HA SER 28 -30.512 27.550 -21.981 216 1HB SER 28 HB2 SER 28 -31.105 27.206 -24.933 217 2HB SER 28 HB3 SER 28 -31.290 25.966 -23.663 218 HG SER 28 HG SER 28 -33.259 27.090 -24.186 219 H GLN 29 H GLN 29 -28.047 28.910 -22.551 220 HA GLN 29 HA GLN 29 -26.301 27.239 -24.150 221 1HB GLN 29 HB2 GLN 29 -26.294 29.820 -23.571 222 2HB GLN 29 HB3 GLN 29 -25.417 29.333 -22.112 223 1HG GLN 29 HG2 GLN 29 -23.605 28.409 -23.522 224 2HG GLN 29 HG3 GLN 29 -24.567 28.709 -24.970 225 1HE2 GLN 29 1HE2 GLN 29 -22.558 31.634 -25.231 226 2HE2 GLN 29 2HE2 GLN 29 -22.733 29.978 -25.792 227 H SER 30 H SER 30 -24.056 26.599 -23.000 228 HA SER 30 HA SER 30 -24.623 25.187 -20.445 229 1HB SER 30 HB2 SER 30 -23.054 23.378 -21.251 230 2HB SER 30 HB3 SER 30 -24.538 23.518 -22.209 231 HG SER 30 HG SER 30 -22.646 23.338 -23.514 232 H VAL 31 H VAL 31 -23.007 24.991 -18.990 233 HA VAL 31 HA VAL 31 -20.564 26.736 -19.306 234 HB VAL 31 HB VAL 31 -22.705 27.103 -17.134 235 1HG1 VAL 31 1HG1 VAL 31 -20.492 27.434 -16.125 236 2HG1 VAL 31 2HG1 VAL 31 -20.007 28.474 -17.499 237 3HG1 VAL 31 3HG1 VAL 31 -21.258 28.988 -16.354 238 1HG2 VAL 31 1HG2 VAL 31 -21.728 28.969 -19.360 239 2HG2 VAL 31 2HG2 VAL 31 -23.334 28.247 -19.221 240 3HG2 VAL 31 3HG2 VAL 31 -22.825 29.421 -18.029 241 H THR 32 H THR 32 -18.825 26.019 -18.216 242 HA THR 32 HA THR 32 -19.096 23.743 -16.293 243 HB THR 32 HB THR 32 -16.595 24.634 -17.775 244 HG1 THR 32 HG1 THR 32 -17.013 23.053 -19.227 245 1HG2 THR 32 1HG2 THR 32 -17.322 22.054 -16.289 246 2HG2 THR 32 2HG2 THR 32 -15.891 22.258 -17.317 247 3HG2 THR 32 3HG2 THR 32 -16.062 23.225 -15.855 248 H LEU 33 H LEU 33 -18.098 23.759 -14.340 249 HA LEU 33 HA LEU 33 -16.243 25.813 -13.508 250 1HB LEU 33 HB2 LEU 33 -17.541 26.588 -11.553 251 2HB LEU 33 HB3 LEU 33 -18.155 27.097 -13.097 252 HG LEU 33 HG LEU 33 -20.029 25.500 -12.979 253 1HD1 LEU 33 1HD1 LEU 33 -20.544 24.479 -10.775 254 2HD1 LEU 33 2HD1 LEU 33 -19.192 23.720 -11.597 255 3HD1 LEU 33 3HD1 LEU 33 -18.912 24.837 -10.236 256 1HD2 LEU 33 1HD2 LEU 33 -20.256 27.813 -12.147 257 2HD2 LEU 33 2HD2 LEU 33 -21.228 26.689 -11.205 258 3HD2 LEU 33 3HD2 LEU 33 -19.681 27.305 -10.548 259 H ALA 34 H ALA 34 -15.585 25.261 -11.006 260 HA ALA 34 HA ALA 34 -15.935 22.403 -10.482 261 1HB ALA 34 HB1 ALA 34 -13.585 21.828 -10.941 262 2HB ALA 34 HB2 ALA 34 -14.295 22.524 -12.424 263 3HB ALA 34 HB3 ALA 34 -13.232 23.488 -11.386 264 H CYS 35 H CYS 35 -15.401 21.628 -8.690 265 HA CYS 35 HA CYS 35 -13.696 23.091 -6.707 266 1HB CYS 35 HB2 CYS 35 -16.059 23.045 -6.009 267 2HB CYS 35 HB3 CYS 35 -16.087 21.281 -6.133 268 H ASP 36 H ASP 36 -11.703 22.091 -7.035 269 HA ASP 36 HA ASP 36 -11.697 19.369 -8.097 270 1HB ASP 36 HB2 ASP 36 -9.478 19.795 -8.812 271 2HB ASP 36 HB3 ASP 36 -10.558 21.070 -9.323 272 H ALA 37 H ALA 37 -11.523 17.658 -7.004 273 HA ALA 37 HA ALA 37 -10.012 17.638 -4.427 274 1HB ALA 37 HB1 ALA 37 -12.445 17.159 -4.213 275 2HB ALA 37 HB2 ALA 37 -12.271 15.846 -5.391 276 3HB ALA 37 HB3 ALA 37 -11.458 15.748 -3.823 277 H ASP 38 H ASP 38 -8.735 15.925 -3.866 278 HA ASP 38 HA ASP 38 -8.206 13.707 -5.752 279 1HB ASP 38 HB2 ASP 38 -6.050 15.504 -4.574 280 2HB ASP 38 HB3 ASP 38 -5.730 13.950 -5.343 281 H GLY 39 H GLY 39 -7.063 11.938 -4.619 282 1HA GLY 39 HA2 GLY 39 -6.072 11.764 -2.030 283 2HA GLY 39 HA3 GLY 39 -7.803 11.414 -1.869 284 H PHE 40 H PHE 40 -6.690 9.295 -1.127 285 HA PHE 40 HA PHE 40 -7.115 7.438 -3.342 286 1HB PHE 40 HB2 PHE 40 -4.762 7.955 -3.641 287 2HB PHE 40 HB3 PHE 40 -4.400 7.466 -1.990 288 HD1 PHE 40 HD1 PHE 40 -4.241 5.087 -1.382 289 HD2 PHE 40 HD2 PHE 40 -5.526 6.279 -5.321 290 HE1 PHE 40 HE1 PHE 40 -4.034 2.757 -2.154 291 HE2 PHE 40 HE2 PHE 40 -5.349 3.923 -6.100 292 HZ PHE 40 HZ PHE 40 -4.595 2.163 -4.529 293 HA PRO 41 HA PRO 41 -7.887 5.429 -3.639 294 1HB PRO 41 HB2 PRO 41 -10.170 4.019 -3.316 295 2HB PRO 41 HB3 PRO 41 -8.567 3.351 -2.858 296 1HG PRO 41 HG2 PRO 41 -10.580 4.719 -1.022 297 2HG PRO 41 HG3 PRO 41 -9.753 3.155 -0.752 298 1HD PRO 41 HD2 PRO 41 -8.845 5.486 0.325 299 2HD PRO 41 HD3 PRO 41 -7.720 4.212 -0.200 300 H GLU 42 H GLU 42 -9.561 6.145 -5.115 301 HA GLU 42 HA GLU 42 -10.533 8.498 -5.409 302 1HB GLU 42 HB2 GLU 42 -12.598 7.603 -6.482 303 2HB GLU 42 HB3 GLU 42 -11.062 6.919 -6.973 304 1HG GLU 42 HG2 GLU 42 -11.455 4.894 -5.626 305 2HG GLU 42 HG3 GLU 42 -13.021 5.499 -5.126 306 HA PRO 43 HA PRO 43 -12.312 9.402 -1.384 307 1HB PRO 43 HB2 PRO 43 -12.479 12.117 -2.739 308 2HB PRO 43 HB3 PRO 43 -12.121 11.749 -1.004 309 1HG PRO 43 HG2 PRO 43 -10.090 12.182 -2.692 310 2HG PRO 43 HG3 PRO 43 -10.042 10.719 -1.630 311 1HD PRO 43 HD2 PRO 43 -10.819 10.872 -4.550 312 2HD PRO 43 HD3 PRO 43 -9.730 9.725 -3.702 313 H THR 44 H THR 44 -14.121 10.329 -0.385 314 HA THR 44 HA THR 44 -16.693 10.016 -1.907 315 HB THR 44 HB THR 44 -16.235 10.130 1.096 316 HG1 THR 44 HG1 THR 44 -15.442 8.279 -0.041 317 1HG2 THR 44 1HG2 THR 44 -18.565 9.276 1.188 318 2HG2 THR 44 2HG2 THR 44 -18.496 10.898 0.442 319 3HG2 THR 44 3HG2 THR 44 -18.683 9.447 -0.575 320 H MET 45 H MET 45 -16.795 11.989 -2.968 321 HA MET 45 HA MET 45 -16.815 14.426 -1.246 322 1HB MET 45 HB2 MET 45 -15.771 15.699 -2.925 323 2HB MET 45 HB3 MET 45 -14.872 14.203 -2.827 324 1HG MET 45 HG2 MET 45 -14.997 14.410 -5.068 325 2HG MET 45 HG3 MET 45 -16.445 13.440 -4.825 326 1HE MET 45 HE1 MET 45 -15.668 17.414 -4.424 327 2HE MET 45 HE2 MET 45 -14.864 16.806 -5.888 328 3HE MET 45 HE3 MET 45 -16.232 17.934 -6.020 329 H THR 46 H THR 46 -18.262 15.978 -1.486 330 HA THR 46 HA THR 46 -20.550 15.753 -3.335 331 HB THR 46 HB THR 46 -22.216 15.850 -1.468 332 HG1 THR 46 HG1 THR 46 -21.540 15.047 0.562 333 1HG2 THR 46 1HG2 THR 46 -22.364 13.516 -1.014 334 2HG2 THR 46 2HG2 THR 46 -21.747 13.737 -2.674 335 3HG2 THR 46 3HG2 THR 46 -20.629 13.266 -1.386 336 H TRP 47 H TRP 47 -22.051 17.581 -3.084 337 HA TRP 47 HA TRP 47 -21.222 19.929 -1.646 338 1HB TRP 47 HB2 TRP 47 -20.671 21.311 -3.657 339 2HB TRP 47 HB3 TRP 47 -19.507 20.129 -3.161 340 HD1 TRP 47 HD1 TRP 47 -19.450 17.756 -4.640 341 HE1 TRP 47 HE1 TRP 47 -18.749 17.763 -7.085 342 HE3 TRP 47 HE3 TRP 47 -20.869 22.521 -5.822 343 HZ2 TRP 47 HZ2 TRP 47 -18.392 19.776 -9.132 344 HZ3 TRP 47 HZ3 TRP 47 -20.262 23.501 -8.020 345 HH2 TRP 47 HH2 TRP 47 -19.032 22.145 -9.680 346 H THR 48 H THR 48 -22.530 21.837 -1.971 347 HA THR 48 HA THR 48 -25.312 21.003 -2.663 348 HB THR 48 HB THR 48 -26.041 22.490 -0.865 349 HG1 THR 48 HG1 THR 48 -24.424 23.474 0.422 350 1HG2 THR 48 1HG2 THR 48 -25.202 21.301 1.050 351 2HG2 THR 48 2HG2 THR 48 -25.312 20.140 -0.299 352 3HG2 THR 48 3HG2 THR 48 -23.724 20.790 0.178 353 H LYS 49 H LYS 49 -26.836 22.591 -3.187 354 HA LYS 49 HA LYS 49 -25.870 24.958 -4.751 355 1HB LYS 49 HB2 LYS 49 -27.201 23.085 -5.927 356 2HB LYS 49 HB3 LYS 49 -28.571 23.530 -4.944 357 1HG LYS 49 HG2 LYS 49 -28.327 25.892 -5.906 358 2HG LYS 49 HG3 LYS 49 -27.085 25.208 -6.989 359 1HD LYS 49 HD2 LYS 49 -28.748 23.620 -7.920 360 2HD LYS 49 HD3 LYS 49 -30.000 24.333 -6.890 361 1HE LYS 49 HE2 LYS 49 -28.404 25.841 -9.021 362 2HE LYS 49 HE3 LYS 49 -30.011 25.133 -9.244 363 1HZ LYS 49 HZ1 LYS 49 -30.644 26.632 -7.264 364 2HZ LYS 49 HZ2 LYS 49 -29.260 27.461 -7.564 365 3HZ LYS 49 HZ3 LYS 49 -30.414 27.322 -8.722 366 H ASP 50 H ASP 50 -25.628 26.116 -2.695 367 HA ASP 50 HA ASP 50 -26.159 27.450 -0.992 368 1HB ASP 50 HB2 ASP 50 -27.611 28.515 -2.678 369 2HB ASP 50 HB3 ASP 50 -28.966 27.578 -2.085 370 H GLY 51 H GLY 51 -27.918 24.464 -1.239 371 1HA GLY 51 HA2 GLY 51 -27.598 23.861 1.509 372 2HA GLY 51 HA3 GLY 51 -29.237 24.441 1.288 373 H GLU 52 H GLU 52 -29.502 23.187 -1.425 374 HA GLU 52 HA GLU 52 -30.051 20.390 -0.585 375 1HB GLU 52 HB2 GLU 52 -31.327 20.216 -2.654 376 2HB GLU 52 HB3 GLU 52 -31.845 21.591 -1.676 377 1HG GLU 52 HG2 GLU 52 -30.487 23.108 -3.111 378 2HG GLU 52 HG3 GLU 52 -30.099 21.730 -4.165 379 HA PRO 53 HA PRO 53 -26.377 18.933 -2.417 380 1HB PRO 53 HB2 PRO 53 -26.783 16.300 -2.805 381 2HB PRO 53 HB3 PRO 53 -26.866 17.065 -1.189 382 1HG PRO 53 HG2 PRO 53 -29.197 16.403 -3.020 383 2HG PRO 53 HG3 PRO 53 -29.004 15.995 -1.299 384 1HD PRO 53 HD2 PRO 53 -30.380 18.212 -2.127 385 2HD PRO 53 HD3 PRO 53 -29.389 18.215 -0.633 386 H ILE 54 H ILE 54 -25.167 18.590 -4.206 387 HA ILE 54 HA ILE 54 -26.421 18.044 -6.839 388 HB ILE 54 HB ILE 54 -23.799 19.487 -6.355 389 1HG1 ILE 54 2HG1 ILE 54 -26.320 21.067 -7.015 390 2HG1 ILE 54 3HG1 ILE 54 -25.835 20.798 -5.325 391 1HG2 ILE 54 1HG2 ILE 54 -24.177 20.446 -8.663 392 2HG2 ILE 54 2HG2 ILE 54 -24.141 18.695 -8.711 393 3HG2 ILE 54 3HG2 ILE 54 -25.700 19.528 -8.757 394 1HD1 ILE 54 1HD1 ILE 54 -23.945 22.060 -7.340 395 2HD1 ILE 54 2HD1 ILE 54 -24.949 22.942 -6.194 396 3HD1 ILE 54 3HD1 ILE 54 -23.717 21.811 -5.616 397 H GLU 55 H GLU 55 -25.762 15.979 -5.007 398 HA GLU 55 HA GLU 55 -23.154 14.898 -5.731 399 1HB GLU 55 HB2 GLU 55 -23.648 13.094 -4.240 400 2HB GLU 55 HB3 GLU 55 -23.898 14.658 -3.481 401 1HG GLU 55 HG2 GLU 55 -26.383 14.334 -3.724 402 2HG GLU 55 HG3 GLU 55 -26.085 12.759 -4.431 403 H GLN 56 H GLN 56 -22.749 13.868 -7.530 404 HA GLN 56 HA GLN 56 -24.693 13.373 -9.473 405 1HB GLN 56 HB2 GLN 56 -21.794 12.484 -9.300 406 2HB GLN 56 HB3 GLN 56 -22.794 12.305 -10.731 407 1HG GLN 56 HG2 GLN 56 -22.077 14.918 -9.380 408 2HG GLN 56 HG3 GLN 56 -21.331 14.273 -10.833 409 1HE2 GLN 56 1HE2 GLN 56 -24.395 14.929 -12.802 410 2HE2 GLN 56 2HE2 GLN 56 -23.436 13.496 -12.456 411 H GLU 57 H GLU 57 -24.167 11.403 -6.876 412 HA GLU 57 HA GLU 57 -24.515 8.702 -7.669 413 1HB GLU 57 HB2 GLU 57 -25.671 10.376 -5.398 414 2HB GLU 57 HB3 GLU 57 -25.728 8.608 -5.440 415 1HG GLU 57 HG2 GLU 57 -23.176 10.289 -5.307 416 2HG GLU 57 HG3 GLU 57 -23.942 9.417 -3.961 417 H ASP 58 H ASP 58 -26.803 11.301 -7.476 418 HA ASP 58 HA ASP 58 -28.819 9.877 -9.084 419 1HB ASP 58 HB2 ASP 58 -29.264 9.233 -6.697 420 2HB ASP 58 HB3 ASP 58 -29.455 10.950 -6.291 421 H ASN 59 H ASN 59 -27.408 12.843 -7.915 422 HA ASN 59 HA ASN 59 -29.556 14.526 -9.096 423 1HB ASN 59 HB2 ASN 59 -27.008 15.331 -7.649 424 2HB ASN 59 HB3 ASN 59 -28.329 16.402 -8.164 425 1HD2 ASN 59 1HD2 ASN 59 -28.720 14.243 -4.741 426 2HD2 ASN 59 2HD2 ASN 59 -27.342 14.023 -5.835 427 H GLU 60 H GLU 60 -29.485 14.268 -11.241 428 HA GLU 60 HA GLU 60 -26.993 15.016 -12.738 429 1HB GLU 60 HB2 GLU 60 -28.854 12.663 -13.276 430 2HB GLU 60 HB3 GLU 60 -27.469 13.168 -14.255 431 1HG GLU 60 HG2 GLU 60 -25.943 12.729 -12.354 432 2HG GLU 60 HG3 GLU 60 -27.310 12.160 -11.411 433 H GLU 61 H GLU 61 -30.005 16.012 -12.202 434 HA GLU 61 HA GLU 61 -31.752 16.094 -14.162 435 1HB GLU 61 HB2 GLU 61 -30.802 18.611 -12.753 436 2HB GLU 61 HB3 GLU 61 -32.344 18.413 -13.586 437 1HG GLU 61 HG2 GLU 61 -31.459 16.850 -11.123 438 2HG GLU 61 HG3 GLU 61 -32.513 18.242 -11.123 439 H LYS 62 H LYS 62 -28.957 18.240 -14.470 440 HA LYS 62 HA LYS 62 -28.895 17.942 -17.359 441 1HB LYS 62 HB2 LYS 62 -29.215 20.320 -17.967 442 2HB LYS 62 HB3 LYS 62 -30.663 19.559 -17.377 443 1HG LYS 62 HG2 LYS 62 -30.088 20.678 -15.065 444 2HG LYS 62 HG3 LYS 62 -28.904 21.621 -15.983 445 1HD LYS 62 HD2 LYS 62 -30.862 22.242 -17.555 446 2HD LYS 62 HD3 LYS 62 -31.913 21.464 -16.349 447 1HE LYS 62 HE2 LYS 62 -31.992 23.716 -15.702 448 2HE LYS 62 HE3 LYS 62 -30.776 23.016 -14.612 449 1HZ LYS 62 HZ1 LYS 62 -29.834 24.978 -15.429 450 2HZ LYS 62 HZ2 LYS 62 -29.093 23.815 -16.348 451 3HZ LYS 62 HZ3 LYS 62 -30.320 24.715 -16.978 452 H TYR 63 H TYR 63 -27.126 17.147 -15.551 453 HA TYR 63 HA TYR 63 -24.768 18.631 -16.189 454 1HB TYR 63 HB2 TYR 63 -24.262 19.065 -13.663 455 2HB TYR 63 HB3 TYR 63 -25.186 20.191 -14.590 456 HD1 TYR 63 HD1 TYR 63 -27.420 20.792 -14.046 457 HD2 TYR 63 HD2 TYR 63 -25.522 17.478 -12.094 458 HE1 TYR 63 HE1 TYR 63 -29.220 20.799 -12.341 459 HE2 TYR 63 HE2 TYR 63 -27.320 17.472 -10.362 460 HH TYR 63 HH TYR 63 -29.245 18.506 -9.611 461 H SER 64 H SER 64 -22.862 17.793 -15.658 462 HA SER 64 HA SER 64 -22.413 15.332 -14.187 463 1HB SER 64 HB2 SER 64 -21.808 13.962 -16.137 464 2HB SER 64 HB3 SER 64 -23.536 14.389 -16.139 465 HG SER 64 HG SER 64 -22.494 14.653 -18.175 466 H PHE 65 H PHE 65 -20.141 14.665 -14.112 467 HA PHE 65 HA PHE 65 -18.251 16.719 -15.065 468 1HB PHE 65 HB2 PHE 65 -17.372 16.720 -12.875 469 2HB PHE 65 HB3 PHE 65 -19.090 17.030 -12.895 470 HD1 PHE 65 HD1 PHE 65 -18.775 16.854 -10.431 471 HD2 PHE 65 HD2 PHE 65 -18.336 13.390 -12.971 472 HE1 PHE 65 HE1 PHE 65 -18.962 15.363 -8.445 473 HE2 PHE 65 HE2 PHE 65 -18.580 11.932 -11.026 474 HZ PHE 65 HZ PHE 65 -18.888 12.896 -8.737 475 H ASN 66 H ASN 66 -15.949 15.997 -14.184 476 HA ASN 66 HA ASN 66 -15.110 13.829 -15.985 477 1HB ASN 66 HB2 ASN 66 -12.927 14.827 -15.763 478 2HB ASN 66 HB3 ASN 66 -14.105 16.099 -15.976 479 1HD2 ASN 66 1HD2 ASN 66 -12.152 17.547 -13.343 480 2HD2 ASN 66 2HD2 ASN 66 -12.219 17.467 -15.100 481 H TYR 67 H TYR 67 -12.866 12.806 -15.015 482 HA TYR 67 HA TYR 67 -13.768 10.754 -13.239 483 1HB TYR 67 HB2 TYR 67 -12.276 10.440 -15.191 484 2HB TYR 67 HB3 TYR 67 -11.016 11.339 -14.368 485 HD1 TYR 67 HD1 TYR 67 -9.559 10.255 -12.781 486 HD2 TYR 67 HD2 TYR 67 -13.113 8.277 -14.203 487 HE1 TYR 67 HE1 TYR 67 -8.760 8.093 -11.817 488 HE2 TYR 67 HE2 TYR 67 -12.293 6.108 -13.281 489 HH TYR 67 HH TYR 67 -10.560 5.036 -12.175 490 H ASP 68 H ASP 68 -12.179 13.745 -12.571 491 HA ASP 68 HA ASP 68 -11.227 12.904 -9.836 492 1HB ASP 68 HB2 ASP 68 -11.065 15.567 -11.285 493 2HB ASP 68 HB3 ASP 68 -10.319 15.171 -9.736 494 H GLY 69 H GLY 69 -14.139 13.888 -11.248 495 1HA GLY 69 HA2 GLY 69 -16.150 14.451 -10.312 496 2HA GLY 69 HA3 GLY 69 -15.477 14.418 -8.706 497 H SER 70 H SER 70 -13.858 16.441 -11.069 498 HA SER 70 HA SER 70 -14.498 18.757 -9.357 499 1HB SER 70 HB2 SER 70 -12.508 19.769 -10.208 500 2HB SER 70 HB3 SER 70 -12.164 18.136 -9.603 501 HG SER 70 HG SER 70 -11.112 18.173 -11.433 502 H GLU 71 H GLU 71 -14.034 18.400 -12.909 503 HA GLU 71 HA GLU 71 -15.267 20.970 -13.444 504 1HB GLU 71 HB2 GLU 71 -14.411 18.714 -15.281 505 2HB GLU 71 HB3 GLU 71 -14.981 20.319 -15.814 506 1HG GLU 71 HG2 GLU 71 -13.107 21.417 -14.737 507 2HG GLU 71 HG3 GLU 71 -12.538 19.902 -14.025 508 H LEU 72 H LEU 72 -17.337 20.858 -12.531 509 HA LEU 72 HA LEU 72 -19.338 19.016 -13.642 510 1HB LEU 72 HB2 LEU 72 -19.393 19.709 -11.242 511 2HB LEU 72 HB3 LEU 72 -19.615 21.386 -11.764 512 HG LEU 72 HG LEU 72 -21.775 20.633 -12.886 513 1HD1 LEU 72 1HD1 LEU 72 -21.384 18.226 -13.061 514 2HD1 LEU 72 2HD1 LEU 72 -21.214 18.096 -11.297 515 3HD1 LEU 72 3HD1 LEU 72 -22.779 18.536 -12.023 516 1HD2 LEU 72 1HD2 LEU 72 -21.755 21.733 -10.646 517 2HD2 LEU 72 2HD2 LEU 72 -23.045 20.530 -10.813 518 3HD2 LEU 72 3HD2 LEU 72 -21.580 20.144 -9.883 519 H ILE 73 H ILE 73 -20.240 19.262 -15.481 520 HA ILE 73 HA ILE 73 -20.368 21.939 -16.784 521 HB ILE 73 HB ILE 73 -20.930 19.153 -17.923 522 1HG1 ILE 73 2HG1 ILE 73 -18.455 20.738 -18.646 523 2HG1 ILE 73 3HG1 ILE 73 -18.417 19.824 -17.150 524 1HG2 ILE 73 1HG2 ILE 73 -20.514 21.899 -19.235 525 2HG2 ILE 73 2HG2 ILE 73 -20.716 20.359 -20.109 526 3HG2 ILE 73 3HG2 ILE 73 -22.042 20.993 -19.138 527 1HD1 ILE 73 1HD1 ILE 73 -19.047 18.611 -19.881 528 2HD1 ILE 73 2HD1 ILE 73 -17.495 18.523 -18.980 529 3HD1 ILE 73 3HD1 ILE 73 -18.955 17.772 -18.286 530 H ILE 74 H ILE 74 -22.286 22.962 -16.823 531 HA ILE 74 HA ILE 74 -24.816 21.454 -16.298 532 HB ILE 74 HB ILE 74 -24.137 24.379 -15.727 533 1HG1 ILE 74 2HG1 ILE 74 -25.040 22.257 -13.734 534 2HG1 ILE 74 3HG1 ILE 74 -23.336 22.489 -14.060 535 1HG2 ILE 74 1HG2 ILE 74 -26.450 24.232 -16.490 536 2HG2 ILE 74 2HG2 ILE 74 -26.792 22.933 -15.321 537 3HG2 ILE 74 3HG2 ILE 74 -26.427 24.577 -14.770 538 1HD1 ILE 74 1HD1 ILE 74 -23.454 24.834 -13.351 539 2HD1 ILE 74 2HD1 ILE 74 -25.176 24.610 -12.895 540 3HD1 ILE 74 3HD1 ILE 74 -23.923 23.713 -12.062 541 H LYS 75 H LYS 75 -26.219 21.385 -17.955 542 HA LYS 75 HA LYS 75 -25.872 23.338 -20.168 543 1HB LYS 75 HB2 LYS 75 -26.912 21.711 -21.652 544 2HB LYS 75 HB3 LYS 75 -25.482 21.048 -20.849 545 1HG LYS 75 HG2 LYS 75 -27.023 19.904 -19.202 546 2HG LYS 75 HG3 LYS 75 -28.401 20.413 -20.189 547 1HD LYS 75 HD2 LYS 75 -27.308 19.221 -22.146 548 2HD LYS 75 HD3 LYS 75 -26.015 18.697 -21.035 549 1HE LYS 75 HE2 LYS 75 -27.651 17.500 -19.638 550 2HE LYS 75 HE3 LYS 75 -28.970 18.075 -20.682 551 1HZ LYS 75 HZ1 LYS 75 -28.317 15.822 -21.257 552 2HZ LYS 75 HZ2 LYS 75 -28.028 16.827 -22.512 553 3HZ LYS 75 HZ3 LYS 75 -26.790 16.272 -21.569 554 H LYS 76 H LYS 76 -27.623 24.186 -21.149 555 HA LYS 76 HA LYS 76 -29.587 25.289 -21.378 556 1HB LYS 76 HB2 LYS 76 -30.981 23.337 -19.533 557 2HB LYS 76 HB3 LYS 76 -31.693 24.357 -20.776 558 1HG LYS 76 HG2 LYS 76 -30.253 23.066 -22.480 559 2HG LYS 76 HG3 LYS 76 -29.986 21.900 -21.155 560 1HD LYS 76 HD2 LYS 76 -32.684 22.639 -22.343 561 2HD LYS 76 HD3 LYS 76 -31.759 21.175 -22.613 562 1HE LYS 76 HE2 LYS 76 -31.954 20.578 -20.191 563 2HE LYS 76 HE3 LYS 76 -32.845 22.080 -19.903 564 1HZ LYS 76 HZ1 LYS 76 -34.607 21.300 -21.397 565 2HZ LYS 76 HZ2 LYS 76 -33.806 19.909 -21.671 566 3HZ LYS 76 HZ3 LYS 76 -34.393 20.236 -20.178 567 H VAL 77 H VAL 77 -27.956 26.635 -19.962 568 HA VAL 77 HA VAL 77 -28.683 27.060 -17.233 569 HB VAL 77 HB VAL 77 -26.837 28.606 -19.077 570 1HG1 VAL 77 1HG1 VAL 77 -25.959 29.678 -16.968 571 2HG1 VAL 77 2HG1 VAL 77 -27.594 30.218 -17.362 572 3HG1 VAL 77 3HG1 VAL 77 -27.342 29.034 -16.079 573 1HG2 VAL 77 1HG2 VAL 77 -26.352 26.690 -16.749 574 2HG2 VAL 77 2HG2 VAL 77 -26.081 26.351 -18.464 575 3HG2 VAL 77 3HG2 VAL 77 -25.100 27.570 -17.644 576 H ASP 78 H ASP 78 -29.946 28.438 -16.219 577 HA ASP 78 HA ASP 78 -30.814 30.954 -17.405 578 1HB ASP 78 HB2 ASP 78 -32.502 28.997 -18.022 579 2HB ASP 78 HB3 ASP 78 -33.028 29.228 -16.347 580 H LYS 79 H LYS 79 -32.573 31.889 -15.551 581 HA LYS 79 HA LYS 79 -30.875 32.627 -13.405 582 1HB LYS 79 HB2 LYS 79 -33.852 32.897 -13.957 583 2HB LYS 79 HB3 LYS 79 -33.142 33.496 -12.464 584 1HG LYS 79 HG2 LYS 79 -32.177 34.408 -15.219 585 2HG LYS 79 HG3 LYS 79 -33.432 35.222 -14.294 586 1HD LYS 79 HD2 LYS 79 -31.767 35.401 -12.364 587 2HD LYS 79 HD3 LYS 79 -30.528 34.813 -13.480 588 1HE LYS 79 HE2 LYS 79 -30.300 37.143 -13.437 589 2HE LYS 79 HE3 LYS 79 -31.028 36.748 -14.977 590 1HZ LYS 79 HZ1 LYS 79 -32.140 38.662 -13.876 591 2HZ LYS 79 HZ2 LYS 79 -33.178 37.439 -14.059 592 3HZ LYS 79 HZ3 LYS 79 -32.543 37.741 -12.606 593 H SER 80 H SER 80 -32.920 29.821 -13.590 594 HA SER 80 HA SER 80 -33.083 29.331 -10.749 595 1HB SER 80 HB2 SER 80 -33.757 27.027 -11.566 596 2HB SER 80 HB3 SER 80 -34.747 28.369 -12.151 597 HG SER 80 HG SER 80 -34.125 26.869 -13.826 598 H ASP 81 H ASP 81 -30.447 29.035 -12.942 599 HA ASP 81 HA ASP 81 -29.069 26.942 -11.389 600 1HB ASP 81 HB2 ASP 81 -28.194 28.539 -13.803 601 2HB ASP 81 HB3 ASP 81 -27.274 27.241 -13.087 602 H GLU 82 H GLU 82 -29.482 30.180 -10.802 603 HA GLU 82 HA GLU 82 -26.821 30.979 -9.974 604 1HB GLU 82 HB2 GLU 82 -28.648 32.524 -10.425 605 2HB GLU 82 HB3 GLU 82 -29.598 31.923 -9.082 606 1HG GLU 82 HG2 GLU 82 -28.133 32.852 -7.479 607 2HG GLU 82 HG3 GLU 82 -26.806 33.013 -8.628 608 H ALA 83 H ALA 83 -25.722 30.599 -8.069 609 HA ALA 83 HA ALA 83 -26.942 29.133 -5.836 610 1HB ALA 83 HB1 ALA 83 -26.658 27.400 -7.633 611 2HB ALA 83 HB2 ALA 83 -24.932 27.743 -7.690 612 3HB ALA 83 HB3 ALA 83 -25.635 27.040 -6.224 613 H GLU 84 H GLU 84 -25.438 28.501 -4.162 614 HA GLU 84 HA GLU 84 -22.701 29.656 -4.267 615 1HB GLU 84 HB2 GLU 84 -24.075 31.165 -2.876 616 2HB GLU 84 HB3 GLU 84 -24.511 29.803 -1.823 617 1HG GLU 84 HG2 GLU 84 -22.174 29.521 -1.146 618 2HG GLU 84 HG3 GLU 84 -21.627 30.590 -2.410 619 H TYR 85 H TYR 85 -21.306 28.048 -4.012 620 HA TYR 85 HA TYR 85 -22.398 25.354 -3.292 621 1HB TYR 85 HB2 TYR 85 -19.838 26.043 -4.732 622 2HB TYR 85 HB3 TYR 85 -20.579 24.478 -4.580 623 HD1 TYR 85 HD1 TYR 85 -22.681 23.928 -5.820 624 HD2 TYR 85 HD2 TYR 85 -20.502 27.571 -6.520 625 HE1 TYR 85 HE1 TYR 85 -23.737 24.116 -8.073 626 HE2 TYR 85 HE2 TYR 85 -21.578 27.770 -8.752 627 HH TYR 85 HH TYR 85 -23.916 25.400 -10.012 628 H ILE 86 H ILE 86 -21.889 24.498 -1.458 629 HA ILE 86 HA ILE 86 -19.201 25.050 -0.210 630 HB ILE 86 HB ILE 86 -21.739 24.010 1.100 631 1HG1 ILE 86 2HG1 ILE 86 -21.316 25.899 2.685 632 2HG1 ILE 86 3HG1 ILE 86 -20.079 26.527 1.602 633 1HG2 ILE 86 1HG2 ILE 86 -20.311 23.885 3.182 634 2HG2 ILE 86 2HG2 ILE 86 -19.765 22.744 1.936 635 3HG2 ILE 86 3HG2 ILE 86 -18.890 24.269 2.195 636 1HD1 ILE 86 1HD1 ILE 86 -22.993 26.163 0.796 637 2HD1 ILE 86 2HD1 ILE 86 -22.351 27.645 1.541 638 3HD1 ILE 86 3HD1 ILE 86 -21.735 27.114 -0.032 639 H CYS 87 H CYS 87 -17.780 23.454 -0.509 640 HA CYS 87 HA CYS 87 -18.796 20.799 -1.341 641 1HB CYS 87 HB2 CYS 87 -16.967 20.695 -3.015 642 2HB CYS 87 HB3 CYS 87 -18.220 21.857 -3.382 643 H ILE 88 H ILE 88 -17.921 19.010 -0.660 644 HA ILE 88 HA ILE 88 -15.661 19.197 1.307 645 HB ILE 88 HB ILE 88 -18.271 17.670 1.608 646 1HG1 ILE 88 2HG1 ILE 88 -17.384 20.266 2.949 647 2HG1 ILE 88 3HG1 ILE 88 -18.688 20.087 1.780 648 1HG2 ILE 88 1HG2 ILE 88 -16.003 18.204 3.618 649 2HG2 ILE 88 2HG2 ILE 88 -17.463 17.235 3.900 650 3HG2 ILE 88 3HG2 ILE 88 -16.307 16.645 2.764 651 1HD1 ILE 88 1HD1 ILE 88 -19.711 20.257 3.914 652 2HD1 ILE 88 2HD1 ILE 88 -19.911 18.590 3.355 653 3HD1 ILE 88 3HD1 ILE 88 -18.700 18.976 4.611 654 H ALA 89 H ALA 89 -14.305 17.464 1.329 655 HA ALA 89 HA ALA 89 -14.978 15.017 -0.230 656 1HB ALA 89 HB1 ALA 89 -12.282 16.387 -0.167 657 2HB ALA 89 HB2 ALA 89 -12.672 14.856 -1.004 658 3HB ALA 89 HB3 ALA 89 -13.398 16.384 -1.557 659 H GLU 90 H GLU 90 -14.712 13.182 0.893 660 HA GLU 90 HA GLU 90 -13.277 13.213 3.511 661 1HB GLU 90 HB2 GLU 90 -15.841 13.519 3.518 662 2HB GLU 90 HB3 GLU 90 -15.925 11.895 2.855 663 1HG GLU 90 HG2 GLU 90 -14.684 11.062 4.872 664 2HG GLU 90 HG3 GLU 90 -14.767 12.694 5.551 665 H ASN 91 H ASN 91 -12.410 11.208 4.175 666 HA ASN 91 HA ASN 91 -12.853 8.795 2.565 667 1HB ASN 91 HB2 ASN 91 -10.588 10.318 1.934 668 2HB ASN 91 HB3 ASN 91 -9.955 9.139 3.110 669 1HD2 ASN 91 1HD2 ASN 91 -9.871 7.910 -0.485 670 2HD2 ASN 91 2HD2 ASN 91 -9.262 9.339 0.316 671 H LYS 92 H LYS 92 -11.755 6.896 3.787 672 HA LYS 92 HA LYS 92 -12.261 7.007 6.594 673 1HB LYS 92 HB2 LYS 92 -11.403 4.831 6.710 674 2HB LYS 92 HB3 LYS 92 -12.221 4.966 5.159 675 1HG LYS 92 HG2 LYS 92 -9.207 4.979 5.659 676 2HG LYS 92 HG3 LYS 92 -10.159 3.646 5.044 677 1HD LYS 92 HD2 LYS 92 -10.714 5.091 2.998 678 2HD LYS 92 HD3 LYS 92 -9.562 6.297 3.619 679 1HE LYS 92 HE2 LYS 92 -8.277 5.023 2.141 680 2HE LYS 92 HE3 LYS 92 -7.839 4.384 3.717 681 1HZ LYS 92 HZ1 LYS 92 -8.350 2.603 2.038 682 2HZ LYS 92 HZ2 LYS 92 -9.322 2.461 3.328 683 3HZ LYS 92 HZ3 LYS 92 -9.906 3.100 1.946 684 H ALA 93 H ALA 93 -9.439 7.876 4.884 685 HA ALA 93 HA ALA 93 -7.660 8.035 7.199 686 1HB ALA 93 HB1 ALA 93 -6.012 8.685 5.555 687 2HB ALA 93 HB2 ALA 93 -6.920 7.309 4.943 688 3HB ALA 93 HB3 ALA 93 -7.267 8.946 4.319 689 H GLY 94 H GLY 94 -9.929 10.352 5.842 690 1HA GLY 94 HA2 GLY 94 -9.283 12.446 7.595 691 2HA GLY 94 HA3 GLY 94 -8.315 12.700 6.163 692 H GLU 95 H GLU 95 -9.512 14.752 6.085 693 HA GLU 95 HA GLU 95 -11.934 14.723 4.475 694 1HB GLU 95 HB2 GLU 95 -12.727 14.246 6.812 695 2HB GLU 95 HB3 GLU 95 -12.079 15.808 7.308 696 1HG GLU 95 HG2 GLU 95 -13.628 16.911 5.627 697 2HG GLU 95 HG3 GLU 95 -14.312 15.320 5.306 698 H GLN 96 H GLN 96 -12.326 16.758 3.503 699 HA GLN 96 HA GLN 96 -11.048 19.205 4.503 700 1HB GLN 96 HB2 GLN 96 -9.289 17.926 3.146 701 2HB GLN 96 HB3 GLN 96 -10.289 18.193 1.734 702 1HG GLN 96 HG2 GLN 96 -8.416 19.820 1.915 703 2HG GLN 96 HG3 GLN 96 -9.983 20.617 1.937 704 1HE2 GLN 96 1HE2 GLN 96 -7.759 19.156 4.428 705 2HE2 GLN 96 2HE2 GLN 96 -7.925 20.514 5.516 706 H ASP 97 H ASP 97 -11.666 21.147 3.064 707 HA ASP 97 HA ASP 97 -14.017 20.801 1.330 708 1HB ASP 97 HB2 ASP 97 -15.454 22.248 2.666 709 2HB ASP 97 HB3 ASP 97 -15.049 20.763 3.514 710 H ALA 98 H ALA 98 -14.666 22.597 0.152 711 HA ALA 98 HA ALA 98 -13.245 25.197 0.406 712 1HB ALA 98 HB1 ALA 98 -12.725 25.278 -2.011 713 2HB ALA 98 HB2 ALA 98 -11.953 23.899 -1.296 714 3HB ALA 98 HB3 ALA 98 -13.433 23.692 -2.244 715 H THR 99 H THR 99 -14.303 26.760 -1.425 716 HA THR 99 HA THR 99 -17.246 26.481 -1.442 717 HB THR 99 HB THR 99 -15.765 28.857 -0.259 718 HG1 THR 99 HG1 THR 99 -16.909 26.612 0.992 719 1HG2 THR 99 1HG2 THR 99 -17.997 29.450 0.725 720 2HG2 THR 99 2HG2 THR 99 -17.975 29.502 -1.032 721 3HG2 THR 99 3HG2 THR 99 -18.732 28.120 -0.214 722 H ILE 100 H ILE 100 -18.233 27.623 -3.070 723 HA ILE 100 HA ILE 100 -16.762 29.522 -4.843 724 HB ILE 100 HB ILE 100 -18.229 27.006 -5.805 725 1HG1 ILE 100 2HG1 ILE 100 -15.258 27.565 -5.816 726 2HG1 ILE 100 3HG1 ILE 100 -16.082 26.371 -4.818 727 1HG2 ILE 100 1HG2 ILE 100 -18.528 28.679 -7.522 728 2HG2 ILE 100 2HG2 ILE 100 -16.848 29.243 -7.349 729 3HG2 ILE 100 3HG2 ILE 100 -17.235 27.684 -8.079 730 1HD1 ILE 100 1HD1 ILE 100 -15.675 26.227 -7.767 731 2HD1 ILE 100 2HD1 ILE 100 -15.071 25.163 -6.498 732 3HD1 ILE 100 3HD1 ILE 100 -16.821 25.186 -6.892 733 H HIS 101 H HIS 101 -18.364 30.648 -6.329 734 HA HIS 101 HA HIS 101 -21.234 30.388 -5.615 735 1HB HIS 101 HB2 HIS 101 -20.114 32.309 -4.333 736 2HB HIS 101 HB3 HIS 101 -19.837 33.077 -5.888 737 HD1 HIS 101 HD1 HIS 101 -22.293 32.997 -3.137 738 HD2 HIS 101 HD2 HIS 101 -22.242 33.708 -7.278 739 HE1 HIS 101 HE1 HIS 101 -24.462 34.178 -3.655 740 H LEU 102 H LEU 102 -22.681 30.958 -7.351 741 HA LEU 102 HA LEU 102 -21.449 31.690 -9.947 742 1HB LEU 102 HB2 LEU 102 -21.789 29.371 -10.174 743 2HB LEU 102 HB3 LEU 102 -23.381 29.433 -9.378 744 HG LEU 102 HG LEU 102 -24.316 30.659 -11.327 745 1HD1 LEU 102 1HD1 LEU 102 -23.077 30.836 -13.403 746 2HD1 LEU 102 2HD1 LEU 102 -22.212 31.733 -12.144 747 3HD1 LEU 102 3HD1 LEU 102 -21.634 30.141 -12.660 748 1HD2 LEU 102 1HD2 LEU 102 -22.891 28.106 -12.145 749 2HD2 LEU 102 2HD2 LEU 102 -24.416 28.191 -11.225 750 3HD2 LEU 102 3HD2 LEU 102 -24.328 28.799 -12.900 751 H LYS 103 H LYS 103 -22.164 33.645 -10.284 752 HA LYS 103 HA LYS 103 -24.986 34.430 -9.703 753 1HB LYS 103 HB2 LYS 103 -22.680 35.973 -10.973 754 2HB LYS 103 HB3 LYS 103 -24.276 36.624 -10.604 755 1HG LYS 103 HG2 LYS 103 -23.870 36.017 -8.136 756 2HG LYS 103 HG3 LYS 103 -22.209 35.622 -8.616 757 1HD LYS 103 HD2 LYS 103 -23.539 38.366 -8.940 758 2HD LYS 103 HD3 LYS 103 -22.451 37.882 -7.634 759 1HE LYS 103 HE2 LYS 103 -20.637 37.433 -9.290 760 2HE LYS 103 HE3 LYS 103 -21.719 37.923 -10.594 761 1HZ LYS 103 HZ1 LYS 103 -20.294 39.767 -9.900 762 2HZ LYS 103 HZ2 LYS 103 -21.864 40.144 -9.596 763 3HZ LYS 103 HZ3 LYS 103 -20.864 39.700 -8.374 764 H VAL 104 H VAL 104 -26.518 34.954 -11.344 765 HA VAL 104 HA VAL 104 -25.787 34.315 -14.188 766 HB VAL 104 HB VAL 104 -28.345 33.529 -12.767 767 1HG1 VAL 104 1HG1 VAL 104 -28.783 32.254 -14.887 768 2HG1 VAL 104 2HG1 VAL 104 -28.734 33.993 -15.129 769 3HG1 VAL 104 3HG1 VAL 104 -27.351 32.979 -15.610 770 1HG2 VAL 104 1HG2 VAL 104 -27.608 31.176 -13.168 771 2HG2 VAL 104 2HG2 VAL 104 -26.043 31.770 -13.734 772 3HG2 VAL 104 3HG2 VAL 104 -26.535 32.022 -12.043 773 H PHE 105 H PHE 105 -26.380 35.883 -15.677 774 HA PHE 105 HA PHE 105 -28.292 37.976 -14.820 775 1HB PHE 105 HB2 PHE 105 -27.066 39.394 -16.360 776 2HB PHE 105 HB3 PHE 105 -26.087 38.882 -14.987 777 HD1 PHE 105 HD1 PHE 105 -24.220 37.239 -15.314 778 HD2 PHE 105 HD2 PHE 105 -26.422 38.929 -18.637 779 HE1 PHE 105 HE1 PHE 105 -22.382 36.613 -16.873 780 HE2 PHE 105 HE2 PHE 105 -24.548 38.325 -20.172 781 HZ PHE 105 HZ PHE 105 -22.526 37.171 -19.272 782 H ALA 106 H ALA 106 -29.849 38.686 -16.232 783 HA ALA 106 HA ALA 106 -30.620 36.779 -18.382 784 1HB ALA 106 HB1 ALA 106 -32.827 37.829 -18.165 785 2HB ALA 106 HB2 ALA 106 -32.246 37.179 -16.640 786 3HB ALA 106 HB3 ALA 106 -32.173 38.940 -16.947 787 H LYS 107 H LYS 107 -28.559 37.952 -19.252 788 HA LYS 107 HA LYS 107 -27.615 38.978 -21.060 789 1HB LYS 107 HB2 LYS 107 -30.457 39.446 -22.044 790 2HB LYS 107 HB3 LYS 107 -28.977 39.563 -22.982 791 1HG LYS 107 HG2 LYS 107 -28.562 37.189 -22.793 792 2HG LYS 107 HG3 LYS 107 -29.862 36.993 -21.625 793 1HD LYS 107 HD2 LYS 107 -30.574 36.180 -23.809 794 2HD LYS 107 HD3 LYS 107 -31.521 37.593 -23.317 795 1HE LYS 107 HE2 LYS 107 -30.085 39.018 -24.802 796 2HE LYS 107 HE3 LYS 107 -29.160 37.594 -25.273 797 1HZ LYS 107 HZ1 LYS 107 -30.893 38.114 -26.900 798 2HZ LYS 107 HZ2 LYS 107 -31.212 36.661 -26.229 799 3HZ LYS 107 HZ3 LYS 107 -32.066 37.992 -25.784 Start of MODEL 20 1 1H GLY 1 H1 GLY 1 4.001 14.009 0.773 2 2H GLY 1 H2 GLY 1 3.492 14.658 -0.638 3 3H GLY 1 H3 GLY 1 2.399 14.227 0.497 4 1HA GLY 1 HA2 GLY 1 4.162 12.375 -0.924 5 2HA GLY 1 HA3 GLY 1 2.929 11.913 0.262 6 H LYS 2 H LYS 2 2.800 10.681 -2.092 7 HA LYS 2 HA LYS 2 0.240 11.500 -3.259 8 1HB LYS 2 HB2 LYS 2 1.030 11.710 -5.560 9 2HB LYS 2 HB3 LYS 2 1.739 12.931 -4.540 10 1HG LYS 2 HG2 LYS 2 3.835 11.530 -4.421 11 2HG LYS 2 HG3 LYS 2 3.083 10.358 -5.487 12 1HD LYS 2 HD2 LYS 2 2.889 12.108 -7.250 13 2HD LYS 2 HD3 LYS 2 3.720 13.248 -6.152 14 1HE LYS 2 HE2 LYS 2 5.680 11.762 -6.071 15 2HE LYS 2 HE3 LYS 2 4.878 10.580 -7.126 16 1HZ LYS 2 HZ1 LYS 2 6.372 12.045 -8.365 17 2HZ LYS 2 HZ2 LYS 2 4.829 12.292 -8.872 18 3HZ LYS 2 HZ3 LYS 2 5.581 13.374 -7.898 19 H ASP 3 H ASP 3 -0.582 9.896 -4.827 20 HA ASP 3 HA ASP 3 0.184 7.147 -4.138 21 1HB ASP 3 HB2 ASP 3 -1.668 6.469 -5.497 22 2HB ASP 3 HB3 ASP 3 -2.182 7.783 -4.493 23 H ILE 4 H ILE 4 1.139 5.638 -5.697 24 HA ILE 4 HA ILE 4 2.717 6.967 -7.895 25 HB ILE 4 HB ILE 4 3.575 4.556 -6.260 26 1HG1 ILE 4 2HG1 ILE 4 3.476 6.503 -4.750 27 2HG1 ILE 4 3HG1 ILE 4 5.102 5.949 -5.053 28 1HG2 ILE 4 1HG2 ILE 4 5.794 5.054 -7.244 29 2HG2 ILE 4 2HG2 ILE 4 4.609 4.644 -8.484 30 3HG2 ILE 4 3HG2 ILE 4 5.089 6.341 -8.225 31 1HD1 ILE 4 1HD1 ILE 4 5.568 7.857 -6.501 32 2HD1 ILE 4 2HD1 ILE 4 3.878 8.355 -6.449 33 3HD1 ILE 4 3HD1 ILE 4 4.873 8.422 -4.961 34 H GLN 5 H GLN 5 2.232 3.544 -7.237 35 HA GLN 5 HA GLN 5 0.173 3.088 -9.177 36 1HB GLN 5 HB2 GLN 5 1.365 1.698 -10.777 37 2HB GLN 5 HB3 GLN 5 2.007 3.319 -10.798 38 1HG GLN 5 HG2 GLN 5 3.949 2.543 -9.352 39 2HG GLN 5 HG3 GLN 5 3.310 0.903 -9.457 40 1HE2 GLN 5 1HE2 GLN 5 5.427 2.466 -12.583 41 2HE2 GLN 5 2HE2 GLN 5 5.109 3.416 -11.143 42 H VAL 6 H VAL 6 0.640 2.681 -6.494 43 HA VAL 6 HA VAL 6 0.134 -0.120 -5.866 44 HB VAL 6 HB VAL 6 2.664 1.249 -4.792 45 1HG1 VAL 6 1HG1 VAL 6 3.092 -1.014 -3.779 46 2HG1 VAL 6 2HG1 VAL 6 1.737 -0.178 -3.065 47 3HG1 VAL 6 3HG1 VAL 6 1.459 -1.517 -4.243 48 1HG2 VAL 6 1HG2 VAL 6 3.921 -0.621 -5.861 49 2HG2 VAL 6 2HG2 VAL 6 2.425 -1.156 -6.645 50 3HG2 VAL 6 3HG2 VAL 6 3.149 0.429 -7.047 51 H ILE 7 H ILE 7 -0.498 -0.211 -3.566 52 HA ILE 7 HA ILE 7 -2.137 1.989 -2.721 53 HB ILE 7 HB ILE 7 -1.158 -0.355 -1.073 54 1HG1 ILE 7 2HG1 ILE 7 -3.718 -0.065 -2.756 55 2HG1 ILE 7 3HG1 ILE 7 -2.336 -1.062 -3.167 56 1HG2 ILE 7 1HG2 ILE 7 -3.546 1.524 -0.652 57 2HG2 ILE 7 2HG2 ILE 7 -3.101 0.111 0.359 58 3HG2 ILE 7 3HG2 ILE 7 -2.035 1.481 0.313 59 1HD1 ILE 7 1HD1 ILE 7 -4.206 -1.486 -0.819 60 2HD1 ILE 7 2HD1 ILE 7 -4.047 -2.495 -2.255 61 3HD1 ILE 7 3HD1 ILE 7 -2.724 -2.418 -1.078 62 H VAL 8 H VAL 8 -1.273 3.896 -2.329 63 HA VAL 8 HA VAL 8 0.541 4.390 -0.072 64 HB VAL 8 HB VAL 8 1.111 5.493 -2.884 65 1HG1 VAL 8 1HG1 VAL 8 2.512 5.884 -0.178 66 2HG1 VAL 8 2HG1 VAL 8 3.089 6.541 -1.706 67 3HG1 VAL 8 3HG1 VAL 8 1.551 7.122 -1.014 68 1HG2 VAL 8 1HG2 VAL 8 3.289 4.378 -2.732 69 2HG2 VAL 8 2HG2 VAL 8 2.775 3.565 -1.246 70 3HG2 VAL 8 3HG2 VAL 8 1.974 3.225 -2.801 71 H ASN 9 H ASN 9 -1.033 5.415 1.025 72 HA ASN 9 HA ASN 9 -3.207 6.658 -0.320 73 1HB ASN 9 HB2 ASN 9 -4.258 6.827 1.835 74 2HB ASN 9 HB3 ASN 9 -3.436 5.257 1.727 75 1HD2 ASN 9 1HD2 ASN 9 -1.132 6.107 4.315 76 2HD2 ASN 9 2HD2 ASN 9 -1.653 4.863 3.184 77 H VAL 10 H VAL 10 -4.209 8.592 0.099 78 HA VAL 10 HA VAL 10 -2.573 10.945 0.814 79 HB VAL 10 HB VAL 10 -4.064 10.868 -1.847 80 1HG1 VAL 10 1HG1 VAL 10 -1.938 12.779 -0.745 81 2HG1 VAL 10 2HG1 VAL 10 -2.719 12.858 -2.347 82 3HG1 VAL 10 3HG1 VAL 10 -3.679 13.135 -0.878 83 1HG2 VAL 10 1HG2 VAL 10 -2.194 9.294 -2.095 84 2HG2 VAL 10 2HG2 VAL 10 -1.937 10.781 -3.011 85 3HG2 VAL 10 3HG2 VAL 10 -1.068 10.519 -1.479 86 HA PRO 11 HA PRO 11 -6.642 12.028 2.515 87 1HB PRO 11 HB2 PRO 11 -5.373 14.764 2.374 88 2HB PRO 11 HB3 PRO 11 -6.357 14.089 3.722 89 1HG PRO 11 HG2 PRO 11 -3.681 14.055 3.985 90 2HG PRO 11 HG3 PRO 11 -4.594 12.549 4.321 91 1HD PRO 11 HD2 PRO 11 -3.095 13.287 1.761 92 2HD PRO 11 HD3 PRO 11 -3.033 11.785 2.707 93 HA PRO 12 HA PRO 12 -8.893 13.744 -0.955 94 1HB PRO 12 HB2 PRO 12 -11.336 14.004 0.104 95 2HB PRO 12 HB3 PRO 12 -10.456 12.440 0.256 96 1HG PRO 12 HG2 PRO 12 -10.721 14.625 2.333 97 2HG PRO 12 HG3 PRO 12 -10.921 12.868 2.529 98 1HD PRO 12 HD2 PRO 12 -8.561 14.281 3.024 99 2HD PRO 12 HD3 PRO 12 -8.678 12.527 2.745 100 H SER 13 H SER 13 -7.388 15.668 -0.947 101 HA SER 13 HA SER 13 -8.012 18.012 0.650 102 1HB SER 13 HB2 SER 13 -5.904 17.545 -1.487 103 2HB SER 13 HB3 SER 13 -6.005 18.957 -0.420 104 HG SER 13 HG SER 13 -4.573 17.304 0.338 105 H VAL 14 H VAL 14 -10.301 17.998 -0.470 106 HA VAL 14 HA VAL 14 -10.416 19.159 -3.051 107 HB VAL 14 HB VAL 14 -12.343 18.000 -2.062 108 1HG1 VAL 14 1HG1 VAL 14 -12.881 20.518 -0.426 109 2HG1 VAL 14 2HG1 VAL 14 -13.947 19.119 -0.575 110 3HG1 VAL 14 3HG1 VAL 14 -12.384 18.945 0.215 111 1HG2 VAL 14 1HG2 VAL 14 -14.057 19.341 -3.019 112 2HG2 VAL 14 2HG2 VAL 14 -13.129 20.827 -2.804 113 3HG2 VAL 14 3HG2 VAL 14 -12.594 19.619 -3.995 114 H ARG 15 H ARG 15 -10.496 21.139 -3.788 115 HA ARG 15 HA ARG 15 -10.460 23.562 -2.024 116 1HB ARG 15 HB2 ARG 15 -8.465 22.810 -4.198 117 2HB ARG 15 HB3 ARG 15 -8.684 24.484 -3.639 118 1HG ARG 15 HG2 ARG 15 -8.201 23.827 -1.329 119 2HG ARG 15 HG3 ARG 15 -8.007 22.138 -1.832 120 1HD ARG 15 HD2 ARG 15 -6.099 22.865 -3.311 121 2HD ARG 15 HD3 ARG 15 -6.234 24.486 -2.598 122 HE ARG 15 HE ARG 15 -6.098 22.557 -0.475 123 1HH1 ARG 15 1HH1 ARG 15 -2.480 23.282 -1.994 124 2HH1 ARG 15 2HH1 ARG 15 -3.878 23.704 -2.965 125 1HH2 ARG 15 1HH2 ARG 15 -4.278 22.181 0.706 126 2HH2 ARG 15 2HH2 ARG 15 -2.709 22.476 -0.010 127 H ALA 16 H ALA 16 -10.625 25.528 -3.572 128 HA ALA 16 HA ALA 16 -12.959 25.102 -5.412 129 1HB ALA 16 HB1 ALA 16 -11.829 27.645 -4.184 130 2HB ALA 16 HB2 ALA 16 -13.210 27.520 -5.288 131 3HB ALA 16 HB3 ALA 16 -13.298 26.763 -3.679 132 H ARG 17 H ARG 17 -12.549 24.917 -7.550 133 HA ARG 17 HA ARG 17 -9.950 25.598 -8.663 134 1HB ARG 17 HB2 ARG 17 -11.530 23.689 -9.389 135 2HB ARG 17 HB3 ARG 17 -12.394 24.922 -10.294 136 1HG ARG 17 HG2 ARG 17 -10.280 25.508 -11.478 137 2HG ARG 17 HG3 ARG 17 -9.450 24.204 -10.613 138 1HD ARG 17 HD2 ARG 17 -11.796 23.879 -12.527 139 2HD ARG 17 HD3 ARG 17 -10.100 23.652 -12.963 140 HE ARG 17 HE ARG 17 -11.840 21.791 -11.536 141 1HH1 ARG 17 1HH1 ARG 17 -8.443 22.488 -12.091 142 2HH1 ARG 17 2HH1 ARG 17 -7.987 20.825 -11.907 143 1HH2 ARG 17 1HH2 ARG 17 -11.175 19.677 -11.290 144 2HH2 ARG 17 2HH2 ARG 17 -9.457 19.316 -11.395 145 H GLN 18 H GLN 18 -13.011 27.196 -8.473 146 HA GLN 18 HA GLN 18 -11.867 29.818 -9.149 147 1HB GLN 18 HB2 GLN 18 -14.226 28.549 -10.621 148 2HB GLN 18 HB3 GLN 18 -14.099 30.297 -10.429 149 1HG GLN 18 HG2 GLN 18 -11.956 28.659 -11.820 150 2HG GLN 18 HG3 GLN 18 -13.284 29.456 -12.627 151 1HE2 GLN 18 1HE2 GLN 18 -11.973 32.803 -12.075 152 2HE2 GLN 18 2HE2 GLN 18 -13.495 31.935 -12.183 153 H SER 19 H SER 19 -12.775 31.382 -7.741 154 HA SER 19 HA SER 19 -14.563 30.316 -5.657 155 1HB SER 19 HB2 SER 19 -14.101 32.486 -4.569 156 2HB SER 19 HB3 SER 19 -12.618 31.595 -4.989 157 HG SER 19 HG SER 19 -12.511 33.834 -5.539 158 H THR 20 H THR 20 -14.883 32.533 -8.374 159 HA THR 20 HA THR 20 -17.839 32.615 -7.937 160 HB THR 20 HB THR 20 -16.181 35.056 -8.636 161 HG1 THR 20 HG1 THR 20 -16.161 34.581 -6.412 162 1HG2 THR 20 1HG2 THR 20 -19.156 34.597 -8.392 163 2HG2 THR 20 2HG2 THR 20 -18.417 36.205 -8.353 164 3HG2 THR 20 3HG2 THR 20 -18.259 35.210 -9.797 165 H MET 21 H MET 21 -18.756 31.882 -9.625 166 HA MET 21 HA MET 21 -17.582 32.055 -12.389 167 1HB MET 21 HB2 MET 21 -19.611 30.157 -11.105 168 2HB MET 21 HB3 MET 21 -19.235 30.175 -12.834 169 1HG MET 21 HG2 MET 21 -17.212 29.658 -10.646 170 2HG MET 21 HG3 MET 21 -18.023 28.420 -11.591 171 1HE MET 21 HE1 MET 21 -16.486 29.059 -15.210 172 2HE MET 21 HE2 MET 21 -17.792 28.236 -14.305 173 3HE MET 21 HE3 MET 21 -17.875 29.975 -14.640 174 H ASN 22 H ASN 22 -19.156 32.388 -14.093 175 HA ASN 22 HA ASN 22 -21.749 33.508 -13.434 176 1HB ASN 22 HB2 ASN 22 -21.351 35.702 -14.458 177 2HB ASN 22 HB3 ASN 22 -20.230 35.428 -13.136 178 1HD2 ASN 22 1HD2 ASN 22 -17.353 35.699 -15.179 179 2HD2 ASN 22 2HD2 ASN 22 -17.979 35.399 -13.581 180 H ALA 23 H ALA 23 -23.033 33.976 -15.334 181 HA ALA 23 HA ALA 23 -22.420 32.724 -17.900 182 1HB ALA 23 HB1 ALA 23 -24.228 31.295 -15.867 183 2HB ALA 23 HB2 ALA 23 -23.972 30.778 -17.558 184 3HB ALA 23 HB3 ALA 23 -22.642 30.725 -16.381 185 H THR 24 H THR 24 -24.311 32.646 -19.320 186 HA THR 24 HA THR 24 -26.090 34.970 -18.743 187 HB THR 24 HB THR 24 -25.517 33.809 -21.502 188 HG1 THR 24 HG1 THR 24 -23.549 34.367 -20.557 189 1HG2 THR 24 1HG2 THR 24 -26.420 36.518 -20.424 190 2HG2 THR 24 2HG2 THR 24 -26.017 36.185 -22.135 191 3HG2 THR 24 3HG2 THR 24 -27.379 35.355 -21.377 192 H ALA 25 H ALA 25 -28.109 34.583 -18.315 193 HA ALA 25 HA ALA 25 -29.550 32.087 -18.992 194 1HB ALA 25 HB1 ALA 25 -30.342 34.644 -17.522 195 2HB ALA 25 HB2 ALA 25 -31.370 33.210 -17.696 196 3HB ALA 25 HB3 ALA 25 -29.852 33.086 -16.790 197 H ASN 26 H ASN 26 -31.721 32.259 -19.951 198 HA ASN 26 HA ASN 26 -33.043 32.492 -21.730 199 1HB ASN 26 HB2 ASN 26 -31.947 35.286 -22.193 200 2HB ASN 26 HB3 ASN 26 -33.451 34.621 -22.769 201 1HD2 ASN 26 1HD2 ASN 26 -33.276 36.243 -19.077 202 2HD2 ASN 26 2HD2 ASN 26 -31.838 36.122 -20.105 203 H LEU 27 H LEU 27 -29.681 32.678 -22.167 204 HA LEU 27 HA LEU 27 -29.849 32.069 -25.067 205 1HB LEU 27 HB2 LEU 27 -27.422 32.596 -23.316 206 2HB LEU 27 HB3 LEU 27 -27.396 32.347 -25.067 207 HG LEU 27 HG LEU 27 -28.594 34.695 -23.524 208 1HD1 LEU 27 1HD1 LEU 27 -26.929 35.984 -24.742 209 2HD1 LEU 27 2HD1 LEU 27 -26.109 34.628 -23.935 210 3HD1 LEU 27 3HD1 LEU 27 -26.438 34.565 -25.684 211 1HD2 LEU 27 1HD2 LEU 27 -28.717 34.125 -26.510 212 2HD2 LEU 27 2HD2 LEU 27 -30.104 34.297 -25.421 213 3HD2 LEU 27 3HD2 LEU 27 -29.097 35.712 -25.781 214 H SER 28 H SER 28 -29.989 30.332 -22.245 215 HA SER 28 HA SER 28 -29.758 28.140 -21.666 216 1HB SER 28 HB2 SER 28 -30.003 27.699 -24.677 217 2HB SER 28 HB3 SER 28 -30.328 26.511 -23.385 218 HG SER 28 HG SER 28 -32.226 27.655 -24.187 219 H GLN 29 H GLN 29 -27.287 29.334 -21.686 220 HA GLN 29 HA GLN 29 -25.313 28.031 -23.275 221 1HB GLN 29 HB2 GLN 29 -25.168 29.568 -20.656 222 2HB GLN 29 HB3 GLN 29 -23.719 28.919 -21.450 223 1HG GLN 29 HG2 GLN 29 -24.270 30.138 -23.517 224 2HG GLN 29 HG3 GLN 29 -25.655 30.891 -22.710 225 1HE2 GLN 29 1HE2 GLN 29 -22.612 33.158 -22.528 226 2HE2 GLN 29 2HE2 GLN 29 -23.291 32.241 -23.866 227 H SER 30 H SER 30 -23.643 26.621 -22.693 228 HA SER 30 HA SER 30 -24.181 24.694 -20.468 229 1HB SER 30 HB2 SER 30 -22.684 24.222 -23.061 230 2HB SER 30 HB3 SER 30 -22.779 23.076 -21.717 231 HG SER 30 HG SER 30 -24.367 22.701 -23.372 232 H VAL 31 H VAL 31 -22.765 24.691 -18.832 233 HA VAL 31 HA VAL 31 -20.160 26.171 -19.152 234 HB VAL 31 HB VAL 31 -22.224 26.671 -16.964 235 1HG1 VAL 31 1HG1 VAL 31 -19.602 28.080 -17.601 236 2HG1 VAL 31 2HG1 VAL 31 -20.789 28.583 -16.363 237 3HG1 VAL 31 3HG1 VAL 31 -19.932 27.059 -16.160 238 1HG2 VAL 31 1HG2 VAL 31 -21.446 28.457 -19.315 239 2HG2 VAL 31 2HG2 VAL 31 -23.040 27.688 -19.036 240 3HG2 VAL 31 3HG2 VAL 31 -22.458 28.934 -17.946 241 H THR 32 H THR 32 -18.508 25.503 -17.923 242 HA THR 32 HA THR 32 -18.918 23.161 -16.096 243 HB THR 32 HB THR 32 -16.318 23.975 -17.396 244 HG1 THR 32 HG1 THR 32 -17.774 23.339 -18.966 245 1HG2 THR 32 1HG2 THR 32 -17.230 21.397 -16.000 246 2HG2 THR 32 2HG2 THR 32 -15.735 21.585 -16.918 247 3HG2 THR 32 3HG2 THR 32 -15.993 22.540 -15.437 248 H LEU 33 H LEU 33 -18.247 23.244 -14.024 249 HA LEU 33 HA LEU 33 -16.368 25.264 -13.039 250 1HB LEU 33 HB2 LEU 33 -17.862 26.050 -11.223 251 2HB LEU 33 HB3 LEU 33 -18.289 26.581 -12.855 252 HG LEU 33 HG LEU 33 -20.154 24.918 -12.916 253 1HD1 LEU 33 1HD1 LEU 33 -19.490 24.553 -9.979 254 2HD1 LEU 33 2HD1 LEU 33 -21.019 24.042 -10.749 255 3HD1 LEU 33 3HD1 LEU 33 -19.498 23.293 -11.230 256 1HD2 LEU 33 1HD2 LEU 33 -20.490 27.320 -12.297 257 2HD2 LEU 33 2HD2 LEU 33 -21.609 26.244 -11.460 258 3HD2 LEU 33 3HD2 LEU 33 -20.204 26.885 -10.597 259 H ALA 34 H ALA 34 -15.802 24.764 -10.627 260 HA ALA 34 HA ALA 34 -16.176 21.912 -9.979 261 1HB ALA 34 HB1 ALA 34 -13.504 22.958 -10.995 262 2HB ALA 34 HB2 ALA 34 -13.904 21.263 -10.515 263 3HB ALA 34 HB3 ALA 34 -14.603 21.986 -11.984 264 H CYS 35 H CYS 35 -15.491 21.177 -8.157 265 HA CYS 35 HA CYS 35 -13.796 22.885 -6.337 266 1HB CYS 35 HB2 CYS 35 -15.983 20.891 -5.742 267 2HB CYS 35 HB3 CYS 35 -14.644 21.084 -4.624 268 H ASP 36 H ASP 36 -11.686 22.287 -6.764 269 HA ASP 36 HA ASP 36 -11.131 19.830 -8.156 270 1HB ASP 36 HB2 ASP 36 -8.921 20.583 -8.405 271 2HB ASP 36 HB3 ASP 36 -10.071 21.802 -8.879 272 H ALA 37 H ALA 37 -11.856 18.289 -6.675 273 HA ALA 37 HA ALA 37 -10.185 17.667 -4.337 274 1HB ALA 37 HB1 ALA 37 -12.656 17.292 -4.340 275 2HB ALA 37 HB2 ALA 37 -12.462 16.141 -5.684 276 3HB ALA 37 HB3 ALA 37 -11.778 15.781 -4.094 277 H ASP 38 H ASP 38 -8.879 16.042 -4.075 278 HA ASP 38 HA ASP 38 -8.469 13.888 -6.032 279 1HB ASP 38 HB2 ASP 38 -7.005 15.748 -6.928 280 2HB ASP 38 HB3 ASP 38 -6.245 15.886 -5.347 281 H GLY 39 H GLY 39 -7.175 12.176 -5.047 282 1HA GLY 39 HA2 GLY 39 -5.868 12.128 -2.612 283 2HA GLY 39 HA3 GLY 39 -7.591 11.847 -2.224 284 H PHE 40 H PHE 40 -6.142 9.812 -1.519 285 HA PHE 40 HA PHE 40 -6.926 7.696 -3.374 286 1HB PHE 40 HB2 PHE 40 -4.663 8.365 -4.118 287 2HB PHE 40 HB3 PHE 40 -4.016 7.856 -2.567 288 HD1 PHE 40 HD1 PHE 40 -4.263 5.381 -1.871 289 HD2 PHE 40 HD2 PHE 40 -5.124 6.781 -5.870 290 HE1 PHE 40 HE1 PHE 40 -4.179 3.043 -2.706 291 HE2 PHE 40 HE2 PHE 40 -4.975 4.454 -6.702 292 HZ PHE 40 HZ PHE 40 -4.508 2.590 -5.139 293 HA PRO 41 HA PRO 41 -7.533 5.496 -3.273 294 1HB PRO 41 HB2 PRO 41 -9.654 4.597 -1.358 295 2HB PRO 41 HB3 PRO 41 -8.868 3.682 -2.692 296 1HG PRO 41 HG2 PRO 41 -8.159 3.203 -0.122 297 2HG PRO 41 HG3 PRO 41 -6.883 3.354 -1.373 298 1HD PRO 41 HD2 PRO 41 -7.856 5.472 0.568 299 2HD PRO 41 HD3 PRO 41 -6.180 4.982 0.167 300 H GLU 42 H GLU 42 -9.431 5.906 -4.434 301 HA GLU 42 HA GLU 42 -10.335 8.297 -5.002 302 1HB GLU 42 HB2 GLU 42 -12.320 7.331 -6.019 303 2HB GLU 42 HB3 GLU 42 -10.828 6.494 -6.358 304 1HG GLU 42 HG2 GLU 42 -11.472 4.742 -4.581 305 2HG GLU 42 HG3 GLU 42 -13.046 5.518 -4.503 306 HA PRO 43 HA PRO 43 -12.304 9.693 -1.228 307 1HB PRO 43 HB2 PRO 43 -12.604 12.167 -2.946 308 2HB PRO 43 HB3 PRO 43 -12.182 12.060 -1.208 309 1HG PRO 43 HG2 PRO 43 -10.243 12.423 -3.045 310 2HG PRO 43 HG3 PRO 43 -10.005 11.177 -1.760 311 1HD PRO 43 HD2 PRO 43 -10.929 10.780 -4.620 312 2HD PRO 43 HD3 PRO 43 -9.672 9.884 -3.710 313 H THR 44 H THR 44 -14.255 10.338 -0.411 314 HA THR 44 HA THR 44 -16.700 10.118 -2.210 315 HB THR 44 HB THR 44 -16.422 9.973 0.831 316 HG1 THR 44 HG1 THR 44 -15.667 8.112 -0.298 317 1HG2 THR 44 1HG2 THR 44 -18.661 10.850 0.128 318 2HG2 THR 44 2HG2 THR 44 -18.863 9.466 -0.948 319 3HG2 THR 44 3HG2 THR 44 -18.789 9.223 0.802 320 H MET 45 H MET 45 -17.981 12.001 -2.477 321 HA MET 45 HA MET 45 -17.550 14.290 -0.693 322 1HB MET 45 HB2 MET 45 -16.690 15.785 -2.490 323 2HB MET 45 HB3 MET 45 -15.579 14.501 -2.120 324 1HG MET 45 HG2 MET 45 -16.289 13.231 -4.073 325 2HG MET 45 HG3 MET 45 -17.419 14.509 -4.523 326 1HE MET 45 HE1 MET 45 -16.780 16.840 -5.309 327 2HE MET 45 HE2 MET 45 -15.702 17.231 -3.948 328 3HE MET 45 HE3 MET 45 -15.137 17.441 -5.608 329 H THR 46 H THR 46 -18.936 16.080 -1.073 330 HA THR 46 HA THR 46 -20.859 16.052 -3.276 331 HB THR 46 HB THR 46 -22.885 16.295 -1.876 332 HG1 THR 46 HG1 THR 46 -21.188 15.356 0.223 333 1HG2 THR 46 1HG2 THR 46 -23.327 14.041 -1.353 334 2HG2 THR 46 2HG2 THR 46 -22.351 14.071 -2.827 335 3HG2 THR 46 3HG2 THR 46 -21.618 13.596 -1.274 336 H TRP 47 H TRP 47 -22.487 17.986 -2.893 337 HA TRP 47 HA TRP 47 -21.418 20.281 -1.554 338 1HB TRP 47 HB2 TRP 47 -21.004 21.646 -3.629 339 2HB TRP 47 HB3 TRP 47 -19.839 20.519 -3.083 340 HD1 TRP 47 HD1 TRP 47 -20.860 17.923 -4.889 341 HE1 TRP 47 HE1 TRP 47 -19.799 17.882 -7.223 342 HE3 TRP 47 HE3 TRP 47 -19.909 22.897 -5.406 343 HZ2 TRP 47 HZ2 TRP 47 -18.679 19.784 -9.066 344 HZ3 TRP 47 HZ3 TRP 47 -19.026 23.801 -7.541 345 HH2 TRP 47 HH2 TRP 47 -18.453 22.205 -9.399 346 H THR 48 H THR 48 -22.643 22.408 -2.388 347 HA THR 48 HA THR 48 -25.534 21.613 -2.406 348 HB THR 48 HB THR 48 -25.899 23.518 -0.887 349 HG1 THR 48 HG1 THR 48 -24.146 24.431 0.123 350 1HG2 THR 48 1HG2 THR 48 -23.865 21.571 0.281 351 2HG2 THR 48 2HG2 THR 48 -25.102 22.518 1.154 352 3HG2 THR 48 3HG2 THR 48 -25.586 21.215 0.052 353 H LYS 49 H LYS 49 -27.086 22.892 -3.213 354 HA LYS 49 HA LYS 49 -26.300 25.002 -5.177 355 1HB LYS 49 HB2 LYS 49 -27.530 22.789 -5.856 356 2HB LYS 49 HB3 LYS 49 -28.908 23.430 -4.978 357 1HG LYS 49 HG2 LYS 49 -29.336 23.942 -7.194 358 2HG LYS 49 HG3 LYS 49 -28.719 25.488 -6.547 359 1HD LYS 49 HD2 LYS 49 -26.557 25.113 -7.657 360 2HD LYS 49 HD3 LYS 49 -27.026 23.455 -8.085 361 1HE LYS 49 HE2 LYS 49 -28.878 24.338 -9.485 362 2HE LYS 49 HE3 LYS 49 -28.426 25.986 -9.052 363 1HZ LYS 49 HZ1 LYS 49 -27.551 25.116 -11.235 364 2HZ LYS 49 HZ2 LYS 49 -26.383 25.721 -10.218 365 3HZ LYS 49 HZ3 LYS 49 -26.573 24.105 -10.405 366 H ASP 50 H ASP 50 -26.140 26.090 -2.859 367 HA ASP 50 HA ASP 50 -26.746 27.768 -1.474 368 1HB ASP 50 HB2 ASP 50 -27.710 28.794 -3.527 369 2HB ASP 50 HB3 ASP 50 -29.271 28.099 -3.116 370 H GLY 51 H GLY 51 -28.945 25.094 -1.799 371 1HA GLY 51 HA2 GLY 51 -29.460 24.943 1.039 372 2HA GLY 51 HA3 GLY 51 -30.863 25.592 0.190 373 H GLU 52 H GLU 52 -28.958 23.169 -1.503 374 HA GLU 52 HA GLU 52 -30.373 20.881 -0.545 375 1HB GLU 52 HB2 GLU 52 -31.616 20.330 -2.574 376 2HB GLU 52 HB3 GLU 52 -32.194 21.843 -1.861 377 1HG GLU 52 HG2 GLU 52 -30.851 23.117 -3.585 378 2HG GLU 52 HG3 GLU 52 -30.385 21.586 -4.310 379 HA PRO 53 HA PRO 53 -26.665 19.240 -2.025 380 1HB PRO 53 HB2 PRO 53 -27.046 16.556 -2.156 381 2HB PRO 53 HB3 PRO 53 -27.184 17.508 -0.649 382 1HG PRO 53 HG2 PRO 53 -29.459 16.619 -2.462 383 2HG PRO 53 HG3 PRO 53 -29.328 16.412 -0.704 384 1HD PRO 53 HD2 PRO 53 -30.685 18.490 -1.807 385 2HD PRO 53 HD3 PRO 53 -29.740 18.684 -0.305 386 H ILE 54 H ILE 54 -25.496 19.247 -3.754 387 HA ILE 54 HA ILE 54 -26.402 18.397 -6.433 388 HB ILE 54 HB ILE 54 -23.811 19.699 -5.456 389 1HG1 ILE 54 2HG1 ILE 54 -26.209 20.923 -6.909 390 2HG1 ILE 54 3HG1 ILE 54 -25.921 21.116 -5.178 391 1HG2 ILE 54 1HG2 ILE 54 -23.289 20.191 -7.777 392 2HG2 ILE 54 2HG2 ILE 54 -23.530 18.452 -7.641 393 3HG2 ILE 54 3HG2 ILE 54 -24.830 19.460 -8.314 394 1HD1 ILE 54 1HD1 ILE 54 -24.194 22.189 -7.429 395 2HD1 ILE 54 2HD1 ILE 54 -25.142 23.087 -6.259 396 3HD1 ILE 54 3HD1 ILE 54 -23.736 22.169 -5.693 397 H GLU 55 H GLU 55 -26.706 16.288 -5.245 398 HA GLU 55 HA GLU 55 -24.504 14.479 -4.915 399 1HB GLU 55 HB2 GLU 55 -26.329 12.760 -4.915 400 2HB GLU 55 HB3 GLU 55 -26.461 14.057 -3.710 401 1HG GLU 55 HG2 GLU 55 -28.174 15.149 -5.239 402 2HG GLU 55 HG3 GLU 55 -28.128 13.690 -6.207 403 H GLN 56 H GLN 56 -23.612 15.408 -7.034 404 HA GLN 56 HA GLN 56 -24.300 14.986 -9.609 405 1HB GLN 56 HB2 GLN 56 -21.943 14.945 -10.129 406 2HB GLN 56 HB3 GLN 56 -22.298 16.079 -8.833 407 1HG GLN 56 HG2 GLN 56 -21.511 14.270 -7.182 408 2HG GLN 56 HG3 GLN 56 -20.977 13.362 -8.632 409 1HE2 GLN 56 1HE2 GLN 56 -17.883 15.032 -7.910 410 2HE2 GLN 56 2HE2 GLN 56 -18.735 13.485 -7.817 411 H GLU 57 H GLU 57 -23.494 12.357 -7.534 412 HA GLU 57 HA GLU 57 -22.963 10.368 -9.650 413 1HB GLU 57 HB2 GLU 57 -23.373 10.039 -6.656 414 2HB GLU 57 HB3 GLU 57 -22.760 8.797 -7.777 415 1HG GLU 57 HG2 GLU 57 -20.862 10.370 -8.348 416 2HG GLU 57 HG3 GLU 57 -21.387 11.421 -7.040 417 H ASP 58 H ASP 58 -25.774 11.587 -8.091 418 HA ASP 58 HA ASP 58 -27.467 9.296 -9.034 419 1HB ASP 58 HB2 ASP 58 -27.060 9.312 -6.527 420 2HB ASP 58 HB3 ASP 58 -27.851 10.907 -6.482 421 H ASN 59 H ASN 59 -27.184 12.804 -8.638 422 HA ASN 59 HA ASN 59 -29.802 13.161 -9.977 423 1HB ASN 59 HB2 ASN 59 -29.562 15.499 -9.604 424 2HB ASN 59 HB3 ASN 59 -29.047 14.691 -8.145 425 1HD2 ASN 59 1HD2 ASN 59 -26.500 17.195 -8.403 426 2HD2 ASN 59 2HD2 ASN 59 -28.069 16.859 -7.682 427 H GLU 60 H GLU 60 -30.060 14.342 -11.991 428 HA GLU 60 HA GLU 60 -27.847 14.409 -13.940 429 1HB GLU 60 HB2 GLU 60 -29.190 12.002 -13.430 430 2HB GLU 60 HB3 GLU 60 -30.130 12.655 -14.763 431 1HG GLU 60 HG2 GLU 60 -28.004 12.954 -16.052 432 2HG GLU 60 HG3 GLU 60 -27.129 12.305 -14.656 433 H GLU 61 H GLU 61 -30.586 15.925 -12.918 434 HA GLU 61 HA GLU 61 -32.272 16.078 -15.143 435 1HB GLU 61 HB2 GLU 61 -31.877 18.005 -12.825 436 2HB GLU 61 HB3 GLU 61 -33.197 18.153 -14.005 437 1HG GLU 61 HG2 GLU 61 -33.967 15.838 -13.383 438 2HG GLU 61 HG3 GLU 61 -32.661 15.735 -12.216 439 H LYS 62 H LYS 62 -29.411 18.035 -14.657 440 HA LYS 62 HA LYS 62 -29.344 18.712 -17.469 441 1HB LYS 62 HB2 LYS 62 -29.386 21.177 -17.274 442 2HB LYS 62 HB3 LYS 62 -30.929 20.457 -16.884 443 1HG LYS 62 HG2 LYS 62 -30.299 20.676 -14.405 444 2HG LYS 62 HG3 LYS 62 -28.885 21.593 -14.912 445 1HD LYS 62 HD2 LYS 62 -31.781 22.326 -15.466 446 2HD LYS 62 HD3 LYS 62 -30.754 23.020 -14.207 447 1HE LYS 62 HE2 LYS 62 -29.162 23.796 -16.025 448 2HE LYS 62 HE3 LYS 62 -30.327 23.213 -17.211 449 1HZ LYS 62 HZ1 LYS 62 -31.949 24.774 -15.966 450 2HZ LYS 62 HZ2 LYS 62 -30.585 25.445 -15.336 451 3HZ LYS 62 HZ3 LYS 62 -30.812 25.449 -16.951 452 H TYR 63 H TYR 63 -27.625 17.226 -16.018 453 HA TYR 63 HA TYR 63 -25.120 18.642 -16.310 454 1HB TYR 63 HB2 TYR 63 -24.710 18.175 -13.666 455 2HB TYR 63 HB3 TYR 63 -25.153 19.720 -14.348 456 HD1 TYR 63 HD1 TYR 63 -26.793 16.579 -13.001 457 HD2 TYR 63 HD2 TYR 63 -26.895 20.901 -13.359 458 HE1 TYR 63 HE1 TYR 63 -28.787 16.673 -11.549 459 HE2 TYR 63 HE2 TYR 63 -28.894 20.968 -11.874 460 HH TYR 63 HH TYR 63 -30.394 19.711 -10.574 461 H SER 64 H SER 64 -23.254 17.555 -15.618 462 HA SER 64 HA SER 64 -23.077 14.743 -14.926 463 1HB SER 64 HB2 SER 64 -22.739 15.628 -17.804 464 2HB SER 64 HB3 SER 64 -21.855 14.237 -17.172 465 HG SER 64 HG SER 64 -24.655 14.442 -16.805 466 H PHE 65 H PHE 65 -20.743 14.120 -14.694 467 HA PHE 65 HA PHE 65 -18.865 16.401 -14.652 468 1HB PHE 65 HB2 PHE 65 -18.544 15.949 -12.349 469 2HB PHE 65 HB3 PHE 65 -20.272 16.008 -12.651 470 HD1 PHE 65 HD1 PHE 65 -21.603 13.802 -12.711 471 HD2 PHE 65 HD2 PHE 65 -17.503 14.061 -11.377 472 HE1 PHE 65 HE1 PHE 65 -21.764 11.527 -11.715 473 HE2 PHE 65 HE2 PHE 65 -17.695 11.815 -10.318 474 HZ PHE 65 HZ PHE 65 -19.828 10.539 -10.520 475 H ASN 66 H ASN 66 -16.678 15.641 -13.690 476 HA ASN 66 HA ASN 66 -15.590 13.790 -15.665 477 1HB ASN 66 HB2 ASN 66 -13.532 14.937 -15.238 478 2HB ASN 66 HB3 ASN 66 -14.763 16.162 -15.165 479 1HD2 ASN 66 1HD2 ASN 66 -12.500 16.774 -12.287 480 2HD2 ASN 66 2HD2 ASN 66 -12.482 16.971 -14.051 481 H TYR 67 H TYR 67 -13.370 12.688 -14.849 482 HA TYR 67 HA TYR 67 -14.268 10.484 -13.175 483 1HB TYR 67 HB2 TYR 67 -11.584 10.934 -14.542 484 2HB TYR 67 HB3 TYR 67 -12.208 9.400 -13.920 485 HD1 TYR 67 HD1 TYR 67 -14.444 8.528 -14.880 486 HD2 TYR 67 HD2 TYR 67 -12.001 11.489 -16.818 487 HE1 TYR 67 HE1 TYR 67 -15.486 7.947 -17.073 488 HE2 TYR 67 HE2 TYR 67 -13.071 10.939 -19.006 489 HH TYR 67 HH TYR 67 -15.539 8.380 -19.318 490 H ASP 68 H ASP 68 -12.551 13.317 -12.467 491 HA ASP 68 HA ASP 68 -11.146 12.274 -10.044 492 1HB ASP 68 HB2 ASP 68 -11.474 15.074 -11.180 493 2HB ASP 68 HB3 ASP 68 -10.511 14.676 -9.765 494 H GLY 69 H GLY 69 -14.262 13.485 -10.892 495 1HA GLY 69 HA2 GLY 69 -16.193 13.554 -9.561 496 2HA GLY 69 HA3 GLY 69 -15.203 13.400 -8.107 497 H SER 70 H SER 70 -14.040 15.804 -10.271 498 HA SER 70 HA SER 70 -14.860 17.903 -8.289 499 1HB SER 70 HB2 SER 70 -12.876 19.073 -9.140 500 2HB SER 70 HB3 SER 70 -12.523 17.480 -8.432 501 HG SER 70 HG SER 70 -11.368 17.448 -10.264 502 H GLU 71 H GLU 71 -14.460 17.560 -11.844 503 HA GLU 71 HA GLU 71 -15.632 20.239 -12.264 504 1HB GLU 71 HB2 GLU 71 -14.615 18.228 -14.282 505 2HB GLU 71 HB3 GLU 71 -15.185 19.851 -14.633 506 1HG GLU 71 HG2 GLU 71 -13.333 20.862 -13.491 507 2HG GLU 71 HG3 GLU 71 -12.817 19.350 -12.790 508 H LEU 72 H LEU 72 -17.677 20.514 -12.094 509 HA LEU 72 HA LEU 72 -19.618 18.516 -13.138 510 1HB LEU 72 HB2 LEU 72 -19.929 19.225 -10.823 511 2HB LEU 72 HB3 LEU 72 -19.928 20.923 -11.318 512 HG LEU 72 HG LEU 72 -22.036 20.443 -12.659 513 1HD1 LEU 72 1HD1 LEU 72 -21.796 17.753 -11.215 514 2HD1 LEU 72 2HD1 LEU 72 -23.296 18.353 -11.924 515 3HD1 LEU 72 3HD1 LEU 72 -21.885 18.016 -12.958 516 1HD2 LEU 72 1HD2 LEU 72 -22.122 21.469 -10.430 517 2HD2 LEU 72 2HD2 LEU 72 -23.468 20.356 -10.666 518 3HD2 LEU 72 3HD2 LEU 72 -22.082 19.851 -9.689 519 H ILE 73 H ILE 73 -20.601 18.878 -14.990 520 HA ILE 73 HA ILE 73 -20.373 21.513 -16.335 521 HB ILE 73 HB ILE 73 -21.058 18.841 -17.585 522 1HG1 ILE 73 2HG1 ILE 73 -18.298 20.045 -17.902 523 2HG1 ILE 73 3HG1 ILE 73 -18.615 19.003 -16.510 524 1HG2 ILE 73 1HG2 ILE 73 -20.118 21.514 -18.715 525 2HG2 ILE 73 2HG2 ILE 73 -20.482 20.052 -19.685 526 3HG2 ILE 73 3HG2 ILE 73 -21.751 20.900 -18.788 527 1HD1 ILE 73 1HD1 ILE 73 -17.675 17.717 -18.256 528 2HD1 ILE 73 2HD1 ILE 73 -19.308 17.161 -17.872 529 3HD1 ILE 73 3HD1 ILE 73 -19.019 18.098 -19.367 530 H ILE 74 H ILE 74 -22.211 22.673 -16.481 531 HA ILE 74 HA ILE 74 -24.864 21.383 -15.991 532 HB ILE 74 HB ILE 74 -23.979 24.253 -15.550 533 1HG1 ILE 74 2HG1 ILE 74 -24.766 22.169 -13.462 534 2HG1 ILE 74 3HG1 ILE 74 -23.098 22.547 -13.859 535 1HG2 ILE 74 1HG2 ILE 74 -26.253 24.503 -14.504 536 2HG2 ILE 74 2HG2 ILE 74 -26.326 24.154 -16.211 537 3HG2 ILE 74 3HG2 ILE 74 -26.667 22.861 -15.026 538 1HD1 ILE 74 1HD1 ILE 74 -23.538 24.971 -13.184 539 2HD1 ILE 74 2HD1 ILE 74 -25.129 24.400 -12.587 540 3HD1 ILE 74 3HD1 ILE 74 -23.662 23.739 -11.875 541 H LYS 75 H LYS 75 -26.151 21.286 -17.735 542 HA LYS 75 HA LYS 75 -25.573 22.985 -20.104 543 1HB LYS 75 HB2 LYS 75 -26.984 21.472 -21.370 544 2HB LYS 75 HB3 LYS 75 -25.629 20.652 -20.611 545 1HG LYS 75 HG2 LYS 75 -27.107 19.811 -18.812 546 2HG LYS 75 HG3 LYS 75 -28.499 20.627 -19.550 547 1HD LYS 75 HD2 LYS 75 -26.816 18.454 -20.831 548 2HD LYS 75 HD3 LYS 75 -28.346 18.188 -19.997 549 1HE LYS 75 HE2 LYS 75 -29.498 19.656 -21.670 550 2HE LYS 75 HE3 LYS 75 -27.972 19.881 -22.513 551 1HZ LYS 75 HZ1 LYS 75 -29.275 18.126 -23.532 552 2HZ LYS 75 HZ2 LYS 75 -27.918 17.490 -22.937 553 3HZ LYS 75 HZ3 LYS 75 -29.325 17.254 -22.149 554 H LYS 76 H LYS 76 -27.260 23.972 -21.179 555 HA LYS 76 HA LYS 76 -28.827 25.582 -21.300 556 1HB LYS 76 HB2 LYS 76 -31.097 24.855 -21.223 557 2HB LYS 76 HB3 LYS 76 -30.079 23.599 -21.907 558 1HG LYS 76 HG2 LYS 76 -30.131 22.340 -19.788 559 2HG LYS 76 HG3 LYS 76 -31.200 23.555 -19.060 560 1HD LYS 76 HD2 LYS 76 -31.836 21.930 -21.558 561 2HD LYS 76 HD3 LYS 76 -32.382 21.521 -19.918 562 1HE LYS 76 HE2 LYS 76 -33.588 23.694 -19.759 563 2HE LYS 76 HE3 LYS 76 -33.055 24.101 -21.393 564 1HZ LYS 76 HZ1 LYS 76 -34.770 21.762 -20.720 565 2HZ LYS 76 HZ2 LYS 76 -35.292 23.173 -21.391 566 3HZ LYS 76 HZ3 LYS 76 -34.316 22.187 -22.225 567 H VAL 77 H VAL 77 -27.351 26.336 -19.381 568 HA VAL 77 HA VAL 77 -28.434 26.860 -16.827 569 HB VAL 77 HB VAL 77 -26.443 28.405 -18.515 570 1HG1 VAL 77 1HG1 VAL 77 -27.282 30.054 -16.935 571 2HG1 VAL 77 2HG1 VAL 77 -27.181 28.865 -15.609 572 3HG1 VAL 77 3HG1 VAL 77 -25.699 29.459 -16.356 573 1HG2 VAL 77 1HG2 VAL 77 -24.792 27.386 -16.982 574 2HG2 VAL 77 2HG2 VAL 77 -26.117 26.572 -16.102 575 3HG2 VAL 77 3HG2 VAL 77 -25.741 26.136 -17.779 576 H ASP 78 H ASP 78 -29.670 28.340 -15.908 577 HA ASP 78 HA ASP 78 -30.363 30.823 -17.233 578 1HB ASP 78 HB2 ASP 78 -32.160 28.895 -17.797 579 2HB ASP 78 HB3 ASP 78 -32.718 29.283 -16.164 580 H LYS 79 H LYS 79 -32.138 31.925 -15.426 581 HA LYS 79 HA LYS 79 -30.331 32.362 -13.194 582 1HB LYS 79 HB2 LYS 79 -33.102 33.421 -13.874 583 2HB LYS 79 HB3 LYS 79 -32.361 33.725 -12.316 584 1HG LYS 79 HG2 LYS 79 -30.275 34.578 -13.667 585 2HG LYS 79 HG3 LYS 79 -31.381 34.615 -15.038 586 1HD LYS 79 HD2 LYS 79 -31.321 36.832 -14.058 587 2HD LYS 79 HD3 LYS 79 -32.899 36.101 -13.688 588 1HE LYS 79 HE2 LYS 79 -32.257 37.132 -11.670 589 2HE LYS 79 HE3 LYS 79 -31.924 35.434 -11.421 590 1HZ LYS 79 HZ1 LYS 79 -29.536 36.073 -12.210 591 2HZ LYS 79 HZ2 LYS 79 -29.983 37.589 -11.820 592 3HZ LYS 79 HZ3 LYS 79 -29.982 36.384 -10.682 593 H SER 80 H SER 80 -32.603 29.866 -13.540 594 HA SER 80 HA SER 80 -33.095 29.359 -10.709 595 1HB SER 80 HB2 SER 80 -33.766 27.132 -11.590 596 2HB SER 80 HB3 SER 80 -34.596 28.491 -12.338 597 HG SER 80 HG SER 80 -33.848 26.952 -13.899 598 H ASP 81 H ASP 81 -30.250 29.101 -12.664 599 HA ASP 81 HA ASP 81 -29.023 27.043 -10.953 600 1HB ASP 81 HB2 ASP 81 -28.132 28.359 -13.530 601 2HB ASP 81 HB3 ASP 81 -27.076 27.332 -12.593 602 H GLU 82 H GLU 82 -29.355 30.402 -10.795 603 HA GLU 82 HA GLU 82 -26.840 31.298 -9.812 604 1HB GLU 82 HB2 GLU 82 -28.885 32.676 -10.329 605 2HB GLU 82 HB3 GLU 82 -29.595 32.077 -8.820 606 1HG GLU 82 HG2 GLU 82 -27.585 33.088 -7.617 607 2HG GLU 82 HG3 GLU 82 -27.068 33.727 -9.151 608 H ALA 83 H ALA 83 -25.659 30.654 -7.984 609 HA ALA 83 HA ALA 83 -27.034 29.414 -5.691 610 1HB ALA 83 HB1 ALA 83 -26.913 27.577 -7.359 611 2HB ALA 83 HB2 ALA 83 -25.194 27.883 -7.594 612 3HB ALA 83 HB3 ALA 83 -25.765 27.239 -6.054 613 H GLU 84 H GLU 84 -25.724 28.861 -3.947 614 HA GLU 84 HA GLU 84 -22.888 29.808 -3.950 615 1HB GLU 84 HB2 GLU 84 -24.404 31.348 -2.658 616 2HB GLU 84 HB3 GLU 84 -24.808 29.987 -1.585 617 1HG GLU 84 HG2 GLU 84 -22.362 29.783 -0.999 618 2HG GLU 84 HG3 GLU 84 -22.020 31.156 -2.072 619 H TYR 85 H TYR 85 -21.526 28.171 -3.576 620 HA TYR 85 HA TYR 85 -22.693 25.529 -2.810 621 1HB TYR 85 HB2 TYR 85 -20.156 26.178 -4.330 622 2HB TYR 85 HB3 TYR 85 -20.871 24.617 -4.079 623 HD1 TYR 85 HD1 TYR 85 -22.070 23.682 -5.894 624 HD2 TYR 85 HD2 TYR 85 -21.556 27.966 -5.710 625 HE1 TYR 85 HE1 TYR 85 -22.964 23.874 -8.185 626 HE2 TYR 85 HE2 TYR 85 -22.505 28.153 -7.984 627 HH TYR 85 HH TYR 85 -23.588 25.307 -9.856 628 H ILE 86 H ILE 86 -21.918 24.453 -1.079 629 HA ILE 86 HA ILE 86 -19.150 25.079 -0.122 630 HB ILE 86 HB ILE 86 -21.462 24.154 1.664 631 1HG1 ILE 86 2HG1 ILE 86 -20.831 26.402 2.849 632 2HG1 ILE 86 3HG1 ILE 86 -20.189 26.899 1.308 633 1HG2 ILE 86 1HG2 ILE 86 -19.752 24.450 3.452 634 2HG2 ILE 86 2HG2 ILE 86 -19.224 23.248 2.278 635 3HG2 ILE 86 3HG2 ILE 86 -18.543 24.879 2.222 636 1HD1 ILE 86 1HD1 ILE 86 -23.053 25.970 1.745 637 2HD1 ILE 86 2HD1 ILE 86 -22.507 27.685 1.821 638 3HD1 ILE 86 3HD1 ILE 86 -22.437 26.788 0.314 639 H CYS 87 H CYS 87 -17.860 23.432 -0.551 640 HA CYS 87 HA CYS 87 -19.035 20.774 -1.189 641 1HB CYS 87 HB2 CYS 87 -17.302 20.547 -2.896 642 2HB CYS 87 HB3 CYS 87 -18.246 22.005 -3.162 643 H ILE 88 H ILE 88 -18.252 18.989 -0.362 644 HA ILE 88 HA ILE 88 -16.030 19.173 1.649 645 HB ILE 88 HB ILE 88 -18.678 17.722 2.036 646 1HG1 ILE 88 2HG1 ILE 88 -18.706 19.553 4.053 647 2HG1 ILE 88 3HG1 ILE 88 -17.847 20.515 2.842 648 1HG2 ILE 88 1HG2 ILE 88 -16.361 18.258 3.937 649 2HG2 ILE 88 2HG2 ILE 88 -17.891 17.459 4.370 650 3HG2 ILE 88 3HG2 ILE 88 -16.793 16.677 3.255 651 1HD1 ILE 88 1HD1 ILE 88 -20.271 20.924 2.809 652 2HD1 ILE 88 2HD1 ILE 88 -19.814 20.155 1.281 653 3HD1 ILE 88 3HD1 ILE 88 -20.584 19.181 2.533 654 H ALA 89 H ALA 89 -14.647 17.424 1.654 655 HA ALA 89 HA ALA 89 -15.441 14.975 0.207 656 1HB ALA 89 HB1 ALA 89 -13.273 14.855 -0.906 657 2HB ALA 89 HB2 ALA 89 -14.061 16.399 -1.314 658 3HB ALA 89 HB3 ALA 89 -12.776 16.372 -0.098 659 H GLU 90 H GLU 90 -14.607 13.083 0.979 660 HA GLU 90 HA GLU 90 -12.965 13.087 3.477 661 1HB GLU 90 HB2 GLU 90 -15.449 13.369 3.915 662 2HB GLU 90 HB3 GLU 90 -15.663 11.774 3.187 663 1HG GLU 90 HG2 GLU 90 -14.127 10.836 4.932 664 2HG GLU 90 HG3 GLU 90 -14.022 12.435 5.660 665 H ASN 91 H ASN 91 -11.830 11.124 3.795 666 HA ASN 91 HA ASN 91 -12.739 8.705 2.514 667 1HB ASN 91 HB2 ASN 91 -10.931 8.129 1.123 668 2HB ASN 91 HB3 ASN 91 -11.405 9.734 0.647 669 1HD2 ASN 91 1HD2 ASN 91 -7.765 9.719 0.596 670 2HD2 ASN 91 2HD2 ASN 91 -9.088 8.969 -0.290 671 H LYS 92 H LYS 92 -10.546 7.019 2.919 672 HA LYS 92 HA LYS 92 -10.432 6.771 5.823 673 1HB LYS 92 HB2 LYS 92 -8.719 4.942 5.173 674 2HB LYS 92 HB3 LYS 92 -10.432 4.726 4.844 675 1HG LYS 92 HG2 LYS 92 -8.618 5.826 2.684 676 2HG LYS 92 HG3 LYS 92 -8.513 4.115 3.078 677 1HD LYS 92 HD2 LYS 92 -11.126 5.469 2.248 678 2HD LYS 92 HD3 LYS 92 -10.032 4.645 1.134 679 1HE LYS 92 HE2 LYS 92 -10.255 2.550 2.432 680 2HE LYS 92 HE3 LYS 92 -11.365 3.345 3.541 681 1HZ LYS 92 HZ1 LYS 92 -11.862 2.932 0.624 682 2HZ LYS 92 HZ2 LYS 92 -12.603 2.136 1.851 683 3HZ LYS 92 HZ3 LYS 92 -12.880 3.722 1.648 684 H ALA 93 H ALA 93 -8.349 8.422 3.649 685 HA ALA 93 HA ALA 93 -6.114 8.529 5.555 686 1HB ALA 93 HB1 ALA 93 -4.986 9.769 3.731 687 2HB ALA 93 HB2 ALA 93 -5.721 8.244 3.159 688 3HB ALA 93 HB3 ALA 93 -6.504 9.791 2.810 689 H GLY 94 H GLY 94 -8.828 10.673 4.637 690 1HA GLY 94 HA2 GLY 94 -8.366 12.420 6.869 691 2HA GLY 94 HA3 GLY 94 -7.709 13.123 5.430 692 H GLU 95 H GLU 95 -9.151 14.846 5.751 693 HA GLU 95 HA GLU 95 -11.743 14.631 4.440 694 1HB GLU 95 HB2 GLU 95 -12.182 14.055 6.844 695 2HB GLU 95 HB3 GLU 95 -11.535 15.636 7.297 696 1HG GLU 95 HG2 GLU 95 -13.343 16.721 5.932 697 2HG GLU 95 HG3 GLU 95 -14.003 15.091 5.634 698 H GLN 96 H GLN 96 -12.390 16.725 3.557 699 HA GLN 96 HA GLN 96 -11.149 19.163 4.497 700 1HB GLN 96 HB2 GLN 96 -9.617 17.802 2.703 701 2HB GLN 96 HB3 GLN 96 -10.617 18.709 1.599 702 1HG GLN 96 HG2 GLN 96 -9.345 20.527 1.874 703 2HG GLN 96 HG3 GLN 96 -9.765 20.584 3.576 704 1HE2 GLN 96 1HE2 GLN 96 -6.675 18.614 4.376 705 2HE2 GLN 96 2HE2 GLN 96 -8.393 18.332 4.643 706 H ASP 97 H ASP 97 -11.776 21.063 2.894 707 HA ASP 97 HA ASP 97 -14.287 20.815 1.466 708 1HB ASP 97 HB2 ASP 97 -15.621 22.151 2.920 709 2HB ASP 97 HB3 ASP 97 -15.109 20.725 3.772 710 H ALA 98 H ALA 98 -14.972 22.671 0.363 711 HA ALA 98 HA ALA 98 -13.594 25.253 0.718 712 1HB ALA 98 HB1 ALA 98 -12.165 24.025 -0.867 713 2HB ALA 98 HB2 ALA 98 -13.541 23.714 -1.928 714 3HB ALA 98 HB3 ALA 98 -12.928 25.378 -1.686 715 H THR 99 H THR 99 -14.507 26.839 -1.183 716 HA THR 99 HA THR 99 -17.499 26.651 -1.223 717 HB THR 99 HB THR 99 -15.858 29.022 -0.272 718 HG1 THR 99 HG1 THR 99 -16.786 28.517 1.759 719 1HG2 THR 99 1HG2 THR 99 -18.874 28.527 -0.261 720 2HG2 THR 99 2HG2 THR 99 -18.055 29.872 0.569 721 3HG2 THR 99 3HG2 THR 99 -18.023 29.781 -1.206 722 H ILE 100 H ILE 100 -18.539 27.722 -2.927 723 HA ILE 100 HA ILE 100 -17.025 29.377 -4.872 724 HB ILE 100 HB ILE 100 -18.587 26.884 -5.669 725 1HG1 ILE 100 2HG1 ILE 100 -15.599 27.470 -5.753 726 2HG1 ILE 100 3HG1 ILE 100 -16.428 26.264 -4.778 727 1HG2 ILE 100 1HG2 ILE 100 -17.823 27.396 -8.014 728 2HG2 ILE 100 2HG2 ILE 100 -18.981 28.497 -7.408 729 3HG2 ILE 100 3HG2 ILE 100 -17.272 28.970 -7.426 730 1HD1 ILE 100 1HD1 ILE 100 -15.426 25.098 -6.533 731 2HD1 ILE 100 2HD1 ILE 100 -17.155 25.088 -6.868 732 3HD1 ILE 100 3HD1 ILE 100 -16.067 26.160 -7.786 733 H HIS 101 H HIS 101 -18.486 30.585 -6.285 734 HA HIS 101 HA HIS 101 -21.395 30.526 -5.627 735 1HB HIS 101 HB2 HIS 101 -20.433 32.425 -4.446 736 2HB HIS 101 HB3 HIS 101 -19.581 32.952 -5.897 737 HD1 HIS 101 HD1 HIS 101 -23.429 32.131 -5.639 738 HD2 HIS 101 HD2 HIS 101 -20.694 35.219 -6.434 739 HE1 HIS 101 HE1 HIS 101 -24.786 34.145 -6.298 740 H LEU 102 H LEU 102 -22.761 30.999 -7.402 741 HA LEU 102 HA LEU 102 -21.538 31.558 -10.040 742 1HB LEU 102 HB2 LEU 102 -22.050 29.212 -10.095 743 2HB LEU 102 HB3 LEU 102 -23.649 29.475 -9.354 744 HG LEU 102 HG LEU 102 -24.469 30.575 -11.364 745 1HD1 LEU 102 1HD1 LEU 102 -23.109 30.620 -13.463 746 2HD1 LEU 102 2HD1 LEU 102 -22.454 31.675 -12.215 747 3HD1 LEU 102 3HD1 LEU 102 -21.706 30.093 -12.531 748 1HD2 LEU 102 1HD2 LEU 102 -24.509 28.719 -12.855 749 2HD2 LEU 102 2HD2 LEU 102 -23.044 28.018 -12.126 750 3HD2 LEU 102 3HD2 LEU 102 -24.550 28.096 -11.187 751 H LYS 103 H LYS 103 -22.146 33.547 -10.460 752 HA LYS 103 HA LYS 103 -24.954 34.446 -9.929 753 1HB LYS 103 HB2 LYS 103 -24.094 36.715 -10.504 754 2HB LYS 103 HB3 LYS 103 -23.464 36.023 -9.014 755 1HG LYS 103 HG2 LYS 103 -21.334 35.451 -10.210 756 2HG LYS 103 HG3 LYS 103 -21.953 36.230 -11.664 757 1HD LYS 103 HD2 LYS 103 -21.456 37.579 -8.973 758 2HD LYS 103 HD3 LYS 103 -20.423 37.676 -10.419 759 1HE LYS 103 HE2 LYS 103 -22.308 38.752 -11.664 760 2HE LYS 103 HE3 LYS 103 -23.302 38.664 -10.219 761 1HZ LYS 103 HZ1 LYS 103 -22.294 40.848 -10.462 762 2HZ LYS 103 HZ2 LYS 103 -21.689 40.124 -9.122 763 3HZ LYS 103 HZ3 LYS 103 -20.776 40.218 -10.460 764 H VAL 104 H VAL 104 -26.334 33.945 -11.465 765 HA VAL 104 HA VAL 104 -25.465 33.943 -14.315 766 HB VAL 104 HB VAL 104 -28.100 32.955 -13.214 767 1HG1 VAL 104 1HG1 VAL 104 -28.031 33.481 -15.642 768 2HG1 VAL 104 2HG1 VAL 104 -26.652 32.341 -15.821 769 3HG1 VAL 104 3HG1 VAL 104 -28.239 31.741 -15.327 770 1HG2 VAL 104 1HG2 VAL 104 -27.160 30.667 -13.489 771 2HG2 VAL 104 2HG2 VAL 104 -25.551 31.377 -13.745 772 3HG2 VAL 104 3HG2 VAL 104 -26.393 31.580 -12.186 773 H PHE 105 H PHE 105 -26.034 35.665 -15.648 774 HA PHE 105 HA PHE 105 -28.005 37.635 -14.643 775 1HB PHE 105 HB2 PHE 105 -26.781 39.153 -16.119 776 2HB PHE 105 HB3 PHE 105 -25.849 38.596 -14.733 777 HD1 PHE 105 HD1 PHE 105 -26.144 38.615 -18.382 778 HD2 PHE 105 HD2 PHE 105 -23.887 37.100 -15.063 779 HE1 PHE 105 HE1 PHE 105 -24.293 38.059 -19.933 780 HE2 PHE 105 HE2 PHE 105 -22.038 36.496 -16.618 781 HZ PHE 105 HZ PHE 105 -22.223 36.997 -19.038 782 H ALA 106 H ALA 106 -29.496 38.533 -15.963 783 HA ALA 106 HA ALA 106 -30.458 36.861 -18.191 784 1HB ALA 106 HB1 ALA 106 -31.901 37.512 -16.303 785 2HB ALA 106 HB2 ALA 106 -31.692 39.222 -16.708 786 3HB ALA 106 HB3 ALA 106 -32.524 38.142 -17.846 787 H LYS 107 H LYS 107 -28.227 37.904 -19.103 788 HA LYS 107 HA LYS 107 -27.213 38.890 -20.862 789 1HB LYS 107 HB2 LYS 107 -29.949 39.850 -21.783 790 2HB LYS 107 HB3 LYS 107 -28.466 39.693 -22.743 791 1HG LYS 107 HG2 LYS 107 -28.456 37.258 -22.403 792 2HG LYS 107 HG3 LYS 107 -29.955 37.342 -21.500 793 1HD LYS 107 HD2 LYS 107 -29.596 38.131 -24.405 794 2HD LYS 107 HD3 LYS 107 -30.338 36.647 -23.830 795 1HE LYS 107 HE2 LYS 107 -32.081 38.020 -22.615 796 2HE LYS 107 HE3 LYS 107 -31.381 39.466 -23.323 797 1HZ LYS 107 HZ1 LYS 107 -32.571 37.248 -24.898 798 2HZ LYS 107 HZ2 LYS 107 -33.252 38.713 -24.627 799 3HZ LYS 107 HZ3 LYS 107 -31.899 38.586 -25.523
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