NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280949 | 2kq8 | 16592 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -6.239 21.047 4.126 2 H2 MET 1 2H MET 1 -5.524 20.048 2.957 3 H3 MET 1 3H MET 1 -5.658 19.512 4.561 4 HA MET 1 HA MET 1 -7.319 18.419 3.305 5 HB2 MET 1 2HB MET 1 -7.948 19.195 5.562 6 HB3 MET 1 1HB MET 1 -8.523 20.710 4.879 7 HG2 MET 1 2HG MET 1 -10.261 19.547 3.673 8 HG3 MET 1 1HG MET 1 -9.652 17.994 4.243 9 HE1 MET 1 3HE MET 1 -8.923 18.605 7.277 10 HE2 MET 1 1HE MET 1 -9.782 17.168 6.724 11 HE3 MET 1 2HE MET 1 -10.428 18.123 8.060 12 H ILE 2 H ILE 2 -9.016 18.451 1.789 13 HA ILE 2 HA ILE 2 -10.064 19.070 -0.125 14 HB ILE 2 HB ILE 2 -9.551 21.952 0.657 15 HG12 ILE 2 2HG1 ILE 2 -11.905 20.191 1.383 16 HG13 ILE 2 1HG1 ILE 2 -10.633 20.679 2.497 17 HG21 ILE 2 1HG2 ILE 2 -10.333 21.699 -1.624 18 HG22 ILE 2 2HG2 ILE 2 -11.625 22.369 -0.627 19 HG23 ILE 2 3HG2 ILE 2 -11.655 20.665 -1.082 20 HD11 ILE 2 3HD1 ILE 2 -11.295 23.010 2.219 21 HD12 ILE 2 1HD1 ILE 2 -12.630 22.016 2.800 22 HD13 ILE 2 2HD1 ILE 2 -12.571 22.512 1.109 23 H GLY 3 H GLY 3 -7.034 18.955 0.321 24 HA2 GLY 3 2HA GLY 3 -6.155 20.367 -2.107 25 HA3 GLY 3 1HA GLY 3 -5.100 19.673 -0.878 26 H ASP 4 H ASP 4 -7.581 17.590 -1.436 27 HA ASP 4 HA ASP 4 -5.944 15.676 -2.755 28 HB2 ASP 4 2HB ASP 4 -7.788 15.121 -1.139 29 HB3 ASP 4 1HB ASP 4 -8.948 15.600 -2.373 30 H TYR 5 H TYR 5 -5.321 16.268 -4.735 31 HA TYR 5 HA TYR 5 -7.418 16.558 -6.773 32 HB2 TYR 5 2HB TYR 5 -6.341 18.763 -6.259 33 HB3 TYR 5 1HB TYR 5 -4.792 18.076 -6.723 34 HD1 TYR 5 HD1 TYR 5 -8.236 18.303 -8.189 35 HD2 TYR 5 HD2 TYR 5 -4.044 18.676 -8.815 36 HE1 TYR 5 HE1 TYR 5 -8.649 18.968 -10.521 37 HE2 TYR 5 HE2 TYR 5 -4.446 19.336 -11.149 38 HH TYR 5 HH TYR 5 -6.196 19.092 -12.864 39 H TYR 6 H TYR 6 -5.962 14.267 -5.790 40 HA TYR 6 HA TYR 6 -3.823 13.594 -7.533 41 HB2 TYR 6 2HB TYR 6 -5.626 11.865 -5.825 42 HB3 TYR 6 1HB TYR 6 -4.205 11.273 -6.679 43 HD1 TYR 6 HD2 TYR 6 -1.959 11.964 -5.973 44 HD2 TYR 6 HD1 TYR 6 -5.416 13.147 -3.796 45 HE1 TYR 6 HE2 TYR 6 -0.538 12.578 -4.063 46 HE2 TYR 6 HE1 TYR 6 -4.005 13.768 -1.880 47 HH TYR 6 HH TYR 6 -1.765 13.197 -0.969 48 H ILE 7 H ILE 7 -3.819 12.175 -9.292 49 HA ILE 7 HA ILE 7 -5.973 12.353 -11.078 50 HB ILE 7 HB ILE 7 -3.696 10.354 -11.062 51 HG12 ILE 7 2HG1 ILE 7 -2.922 11.870 -12.996 52 HG13 ILE 7 1HG1 ILE 7 -4.064 13.049 -12.364 53 HG21 ILE 7 1HG2 ILE 7 -5.533 9.497 -12.377 54 HG22 ILE 7 2HG2 ILE 7 -4.226 10.017 -13.441 55 HG23 ILE 7 3HG2 ILE 7 -5.660 11.026 -13.248 56 HD11 ILE 7 3HD1 ILE 7 -1.727 11.874 -10.881 57 HD12 ILE 7 1HD1 ILE 7 -2.876 13.043 -10.232 58 HD13 ILE 7 2HD1 ILE 7 -1.824 13.494 -11.574 59 H ASN 8 H ASN 8 -4.841 9.716 -9.016 60 HA ASN 8 HA ASN 8 -5.908 8.044 -7.941 61 HB2 ASN 8 2HB ASN 8 -7.525 9.897 -7.391 62 HB3 ASN 8 1HB ASN 8 -8.508 9.358 -8.748 63 HD21 ASN 8 1HD2 ASN 8 -7.144 8.381 -5.658 64 HD22 ASN 8 2HD2 ASN 8 -8.354 7.196 -5.299 65 H ALA 9 H ALA 9 -8.305 8.613 -10.504 66 HA ALA 9 HA ALA 9 -9.059 7.330 -12.216 67 HB1 ALA 9 3HB ALA 9 -7.389 6.148 -13.537 68 HB2 ALA 9 1HB ALA 9 -6.229 6.284 -12.217 69 HB3 ALA 9 2HB ALA 9 -6.793 7.734 -13.046 70 H SER 10 H SER 10 -8.186 4.679 -12.966 71 HA SER 10 HA SER 10 -8.732 3.037 -10.614 72 HB2 SER 10 2HB SER 10 -10.309 2.776 -13.191 73 HB3 SER 10 1HB SER 10 -10.508 1.803 -11.731 74 HG SER 10 HG SER 10 -10.704 4.278 -10.933 75 H ALA 11 H ALA 11 -6.754 2.094 -10.642 76 HA ALA 11 HA ALA 11 -6.163 0.332 -12.903 77 HB1 ALA 11 3HB ALA 11 -3.808 1.022 -12.907 78 HB2 ALA 11 1HB ALA 11 -4.162 2.251 -11.696 79 HB3 ALA 11 2HB ALA 11 -4.868 2.371 -13.305 80 H LEU 12 H LEU 12 -3.595 -0.421 -11.827 81 HA LEU 12 HA LEU 12 -4.374 -2.209 -9.745 82 HB2 LEU 12 2HB LEU 12 -1.602 -1.463 -10.699 83 HB3 LEU 12 1HB LEU 12 -1.999 -2.837 -9.685 84 HG LEU 12 HG LEU 12 -2.921 -2.449 -12.534 85 HD11 LEU 12 1HD1 LEU 12 -0.856 -4.313 -11.371 86 HD12 LEU 12 2HD1 LEU 12 -0.528 -2.901 -12.378 87 HD13 LEU 12 3HD1 LEU 12 -1.396 -4.282 -13.051 88 HD21 LEU 12 3HD2 LEU 12 -4.528 -3.701 -11.185 89 HD22 LEU 12 1HD2 LEU 12 -3.245 -4.792 -10.663 90 HD23 LEU 12 2HD2 LEU 12 -3.727 -4.744 -12.359 91 H ASN 13 H ASN 13 -5.102 -1.096 -7.995 92 HA ASN 13 HA ASN 13 -3.560 1.182 -7.011 93 HB2 ASN 13 2HB ASN 13 -6.354 0.264 -6.300 94 HB3 ASN 13 1HB ASN 13 -5.592 1.755 -5.754 95 HD21 ASN 13 1HD2 ASN 13 -8.028 1.314 -7.310 96 HD22 ASN 13 2HD2 ASN 13 -7.819 2.220 -8.764 97 H VAL 14 H VAL 14 -4.584 -2.014 -6.037 98 HA VAL 14 HA VAL 14 -4.143 -1.736 -3.252 99 HB VAL 14 HB VAL 14 -3.960 -4.250 -4.930 100 HG11 VAL 14 1HG1 VAL 14 -4.380 -5.432 -2.820 101 HG12 VAL 14 2HG1 VAL 14 -4.309 -3.898 -1.953 102 HG13 VAL 14 3HG1 VAL 14 -2.873 -4.519 -2.768 103 HG21 VAL 14 3HG2 VAL 14 -6.275 -3.073 -3.395 104 HG22 VAL 14 1HG2 VAL 14 -6.264 -4.652 -4.178 105 HG23 VAL 14 2HG2 VAL 14 -6.132 -3.187 -5.148 106 H ARG 15 H ARG 15 -2.163 -3.169 -5.809 107 HA ARG 15 HA ARG 15 0.177 -1.838 -4.814 108 HB2 ARG 15 2HB ARG 15 -0.025 -4.845 -4.749 109 HB3 ARG 15 1HB ARG 15 1.521 -4.049 -5.006 110 HG2 ARG 15 2HG ARG 15 0.627 -2.736 -2.813 111 HG3 ARG 15 1HG ARG 15 -0.074 -4.337 -2.565 112 HD2 ARG 15 2HD ARG 15 2.082 -4.269 -1.515 113 HD3 ARG 15 1HD ARG 15 2.179 -5.318 -2.928 114 HE ARG 15 HE ARG 15 2.980 -2.958 -3.937 115 HH11 ARG 15 1HH1 ARG 15 3.970 -4.737 -1.084 116 HH12 ARG 15 2HH1 ARG 15 5.573 -4.059 -1.064 117 HH21 ARG 15 1HH2 ARG 15 5.043 -2.077 -3.920 118 HH22 ARG 15 2HH2 ARG 15 6.181 -2.512 -2.675 119 H SER 16 H SER 16 2.102 -2.765 -6.342 120 HA SER 16 HA SER 16 2.926 -3.070 -8.438 121 HB2 SER 16 2HB SER 16 1.195 -4.836 -8.717 122 HB3 SER 16 1HB SER 16 0.066 -3.616 -9.292 123 HG SER 16 HG SER 16 2.124 -4.877 -10.593 124 H GLY 17 H GLY 17 1.063 -0.679 -7.354 125 HA2 GLY 17 2HA GLY 17 1.195 0.890 -9.846 126 HA3 GLY 17 1HA GLY 17 0.135 1.243 -8.488 127 H GLU 18 H GLU 18 3.298 0.279 -7.664 128 HA GLU 18 HA GLU 18 3.904 3.031 -6.836 129 HB2 GLU 18 2HB GLU 18 5.744 0.859 -6.047 130 HB3 GLU 18 1HB GLU 18 5.075 2.163 -5.080 131 HG2 GLU 18 2HG GLU 18 4.168 0.290 -4.097 132 HG3 GLU 18 1HG GLU 18 2.881 0.796 -5.193 133 H GLY 19 H GLY 19 5.247 0.218 -8.461 134 HA2 GLY 19 2HA GLY 19 6.675 0.356 -10.380 135 HA3 GLY 19 1HA GLY 19 7.198 1.946 -9.832 136 H THR 20 H THR 20 6.926 -0.036 -7.219 137 HA THR 20 HA THR 20 9.823 -0.433 -7.129 138 HB THR 20 HB THR 20 7.935 -0.738 -4.811 139 HG1 THR 20 HG1 THR 20 9.132 1.647 -5.844 140 HG21 THR 20 3HG2 THR 20 9.942 -0.048 -3.532 141 HG22 THR 20 1HG2 THR 20 10.862 -0.013 -5.037 142 HG23 THR 20 2HG2 THR 20 10.199 -1.536 -4.442 143 H ASN 21 H ASN 21 6.803 -2.129 -6.307 144 HA ASN 21 HA ASN 21 8.036 -4.671 -7.063 145 HB2 ASN 21 2HB ASN 21 6.634 -4.157 -4.428 146 HB3 ASN 21 1HB ASN 21 6.972 -5.764 -5.057 147 HD21 ASN 21 1HD2 ASN 21 9.061 -6.538 -5.048 148 HD22 ASN 21 2HD2 ASN 21 10.327 -5.782 -4.136 149 H TYR 22 H TYR 22 6.742 -4.747 -8.900 150 HA TYR 22 HA TYR 22 3.911 -4.127 -8.537 151 HB2 TYR 22 2HB TYR 22 3.786 -3.852 -10.938 152 HB3 TYR 22 1HB TYR 22 5.127 -2.917 -10.293 153 HD1 TYR 22 HD1 TYR 22 4.324 -6.110 -12.041 154 HD2 TYR 22 HD2 TYR 22 7.275 -3.169 -11.184 155 HE1 TYR 22 HE1 TYR 22 5.816 -7.132 -13.705 156 HE2 TYR 22 HE2 TYR 22 8.779 -4.189 -12.845 157 HH TYR 22 HH TYR 22 9.140 -6.082 -14.113 158 H ARG 23 H ARG 23 5.553 -6.891 -8.252 159 HA ARG 23 HA ARG 23 3.655 -8.451 -9.871 160 HB2 ARG 23 2HB ARG 23 6.303 -8.694 -9.903 161 HB3 ARG 23 1HB ARG 23 5.970 -9.757 -8.541 162 HG2 ARG 23 2HG ARG 23 4.129 -10.595 -10.357 163 HG3 ARG 23 1HG ARG 23 5.480 -10.138 -11.389 164 HD2 ARG 23 2HD ARG 23 5.848 -12.395 -10.891 165 HD3 ARG 23 1HD ARG 23 6.932 -11.517 -9.810 166 HE ARG 23 HE ARG 23 4.665 -11.853 -8.336 167 HH11 ARG 23 1HH1 ARG 23 6.781 -14.020 -10.085 168 HH12 ARG 23 2HH1 ARG 23 6.455 -15.382 -9.048 169 HH21 ARG 23 1HH2 ARG 23 4.220 -13.633 -6.973 170 HH22 ARG 23 2HH2 ARG 23 5.014 -15.153 -7.273 171 H ILE 24 H ILE 24 3.857 -7.334 -6.845 172 HA ILE 24 HA ILE 24 3.483 -9.751 -5.349 173 HB ILE 24 HB ILE 24 3.136 -6.874 -4.494 174 HG12 ILE 24 2HG1 ILE 24 5.401 -8.850 -4.128 175 HG13 ILE 24 1HG1 ILE 24 5.428 -7.415 -5.147 176 HG21 ILE 24 1HG2 ILE 24 1.835 -8.380 -3.082 177 HG22 ILE 24 2HG2 ILE 24 3.221 -7.740 -2.203 178 HG23 ILE 24 3HG2 ILE 24 3.258 -9.389 -2.824 179 HD11 ILE 24 3HD1 ILE 24 5.193 -6.016 -3.140 180 HD12 ILE 24 1HD1 ILE 24 6.644 -7.020 -3.100 181 HD13 ILE 24 2HD1 ILE 24 5.230 -7.473 -2.145 182 H ILE 25 H ILE 25 1.306 -6.980 -6.074 183 HA ILE 25 HA ILE 25 -0.960 -8.833 -5.961 184 HB ILE 25 HB ILE 25 -1.326 -6.187 -4.589 185 HG12 ILE 25 2HG1 ILE 25 -0.525 -8.635 -3.039 186 HG13 ILE 25 1HG1 ILE 25 0.685 -7.486 -3.601 187 HG21 ILE 25 1HG2 ILE 25 -2.577 -8.899 -4.227 188 HG22 ILE 25 2HG2 ILE 25 -3.268 -7.548 -5.125 189 HG23 ILE 25 3HG2 ILE 25 -3.045 -7.426 -3.379 190 HD11 ILE 25 3HD1 ILE 25 0.081 -7.022 -1.321 191 HD12 ILE 25 1HD1 ILE 25 -1.622 -6.894 -1.768 192 HD13 ILE 25 2HD1 ILE 25 -0.460 -5.709 -2.369 193 H GLY 26 H GLY 26 -3.044 -7.354 -6.534 194 HA2 GLY 26 2HA GLY 26 -2.242 -5.699 -8.837 195 HA3 GLY 26 1HA GLY 26 -3.517 -6.902 -8.956 196 H ALA 27 H ALA 27 -5.519 -6.132 -8.816 197 HA ALA 27 HA ALA 27 -6.001 -3.765 -7.155 198 HB1 ALA 27 3HB ALA 27 -5.553 -2.942 -9.412 199 HB2 ALA 27 1HB ALA 27 -7.222 -2.644 -8.928 200 HB3 ALA 27 2HB ALA 27 -6.848 -3.960 -10.040 201 H LEU 28 H LEU 28 -7.358 -4.656 -5.722 202 HA LEU 28 HA LEU 28 -10.020 -5.191 -6.700 203 HB2 LEU 28 2HB LEU 28 -10.065 -7.224 -5.018 204 HB3 LEU 28 1HB LEU 28 -9.586 -7.424 -6.688 205 HG LEU 28 HG LEU 28 -7.185 -7.249 -5.926 206 HD11 LEU 28 1HD1 LEU 28 -6.704 -7.684 -3.577 207 HD12 LEU 28 2HD1 LEU 28 -8.424 -7.573 -3.198 208 HD13 LEU 28 3HD1 LEU 28 -7.557 -6.154 -3.785 209 HD21 LEU 28 3HD2 LEU 28 -7.110 -9.557 -5.106 210 HD22 LEU 28 1HD2 LEU 28 -8.208 -9.381 -6.474 211 HD23 LEU 28 2HD2 LEU 28 -8.853 -9.513 -4.837 212 HA PRO 29 HA PRO 29 -9.874 -3.080 -2.572 213 HB2 PRO 29 2HB PRO 29 -9.881 -0.455 -3.450 214 HB3 PRO 29 1HB PRO 29 -8.435 -1.374 -3.029 215 HG2 PRO 29 2HG PRO 29 -9.197 -0.410 -5.608 216 HG3 PRO 29 1HG PRO 29 -7.792 -1.406 -5.196 217 HD2 PRO 29 2HD PRO 29 -10.435 -2.220 -6.291 218 HD3 PRO 29 1HD PRO 29 -8.841 -2.984 -6.492 219 H GLN 30 H GLN 30 -11.491 -1.697 -1.553 220 HA GLN 30 HA GLN 30 -13.587 -0.946 -1.139 221 HB2 GLN 30 2HB GLN 30 -13.081 0.602 -3.024 222 HB3 GLN 30 1HB GLN 30 -13.812 -0.554 -4.128 223 HG2 GLN 30 2HG GLN 30 -15.377 1.199 -3.631 224 HG3 GLN 30 1HG GLN 30 -15.949 -0.314 -2.929 225 HE21 GLN 30 1HE2 GLN 30 -14.614 2.828 -2.287 226 HE22 GLN 30 2HE2 GLN 30 -14.968 2.848 -0.589 227 H GLY 31 H GLY 31 -14.748 -2.563 -0.361 228 HA2 GLY 31 2HA GLY 31 -16.751 -3.869 -0.625 229 HA3 GLY 31 1HA GLY 31 -16.269 -4.207 -2.284 230 H GLN 32 H GLN 32 -13.524 -4.755 -1.605 231 HA GLN 32 HA GLN 32 -13.858 -7.441 -0.506 232 HB2 GLN 32 2HB GLN 32 -11.561 -6.180 -2.022 233 HB3 GLN 32 1HB GLN 32 -11.535 -7.812 -1.374 234 HG2 GLN 32 2HG GLN 32 -12.054 -8.053 -3.643 235 HG3 GLN 32 1HG GLN 32 -13.584 -8.262 -2.797 236 HE21 GLN 32 1HE2 GLN 32 -11.989 -5.204 -3.370 237 HE22 GLN 32 2HE2 GLN 32 -13.194 -4.560 -4.435 238 H LYS 33 H LYS 33 -11.422 -8.013 0.482 239 HA LYS 33 HA LYS 33 -11.455 -6.528 2.968 240 HB2 LYS 33 2HB LYS 33 -11.390 -9.019 2.908 241 HB3 LYS 33 1HB LYS 33 -9.805 -8.933 2.157 242 HG2 LYS 33 2HG LYS 33 -8.861 -7.948 4.135 243 HG3 LYS 33 1HG LYS 33 -10.455 -7.832 4.884 244 HD2 LYS 33 2HD LYS 33 -9.274 -9.743 5.783 245 HD3 LYS 33 1HD LYS 33 -10.633 -10.295 4.805 246 HE2 LYS 33 2HE LYS 33 -9.061 -10.643 2.914 247 HE3 LYS 33 1HE LYS 33 -7.731 -10.222 3.995 248 HZ1 LYS 33 3HZ LYS 33 -9.601 -12.507 4.320 249 HZ2 LYS 33 1HZ LYS 33 -8.379 -12.085 5.422 250 HZ3 LYS 33 2HZ LYS 33 -7.967 -12.599 3.859 251 H VAL 34 H VAL 34 -9.496 -5.714 3.948 252 HA VAL 34 HA VAL 34 -7.477 -4.673 4.044 253 HB VAL 34 HB VAL 34 -7.016 -5.772 1.268 254 HG11 VAL 34 1HG1 VAL 34 -5.074 -4.419 3.140 255 HG12 VAL 34 2HG1 VAL 34 -5.695 -3.754 1.631 256 HG13 VAL 34 3HG1 VAL 34 -4.666 -5.185 1.605 257 HG21 VAL 34 3HG2 VAL 34 -6.009 -6.662 3.970 258 HG22 VAL 34 1HG2 VAL 34 -5.516 -7.342 2.419 259 HG23 VAL 34 2HG2 VAL 34 -7.186 -7.506 2.963 260 H GLN 35 H GLN 35 -7.268 -2.578 4.011 261 HA GLN 35 HA GLN 35 -7.886 -1.057 1.585 262 HB2 GLN 35 2HB GLN 35 -9.086 0.635 2.865 263 HB3 GLN 35 1HB GLN 35 -9.866 -0.928 3.059 264 HG2 GLN 35 2HG GLN 35 -8.910 -1.201 5.242 265 HG3 GLN 35 1HG GLN 35 -7.951 0.265 5.050 266 HE21 GLN 35 1HE2 GLN 35 -8.835 1.229 6.855 267 HE22 GLN 35 2HE2 GLN 35 -10.459 1.834 6.886 268 H VAL 36 H VAL 36 -7.136 1.324 1.978 269 HA VAL 36 HA VAL 36 -4.405 1.248 2.849 270 HB VAL 36 HB VAL 36 -4.414 3.703 2.320 271 HG11 VAL 36 1HG1 VAL 36 -4.666 3.409 -0.109 272 HG12 VAL 36 2HG1 VAL 36 -5.466 1.861 0.174 273 HG13 VAL 36 3HG1 VAL 36 -3.776 2.080 0.634 274 HG21 VAL 36 3HG2 VAL 36 -6.354 4.647 1.157 275 HG22 VAL 36 1HG2 VAL 36 -6.756 4.187 2.810 276 HG23 VAL 36 2HG2 VAL 36 -7.260 3.166 1.464 277 H ILE 37 H ILE 37 -3.641 1.691 4.819 278 HA ILE 37 HA ILE 37 -5.527 2.343 6.908 279 HB ILE 37 HB ILE 37 -2.542 1.893 7.111 280 HG12 ILE 37 2HG1 ILE 37 -4.393 -0.164 8.112 281 HG13 ILE 37 1HG1 ILE 37 -4.426 0.046 6.365 282 HG21 ILE 37 1HG2 ILE 37 -3.005 1.477 9.492 283 HG22 ILE 37 2HG2 ILE 37 -4.689 1.935 9.229 284 HG23 ILE 37 3HG2 ILE 37 -3.405 3.125 9.009 285 HD11 ILE 37 3HD1 ILE 37 -2.869 -1.690 6.999 286 HD12 ILE 37 1HD1 ILE 37 -1.997 -0.559 8.034 287 HD13 ILE 37 2HD1 ILE 37 -2.010 -0.324 6.286 288 H SER 38 H SER 38 -2.444 3.743 5.790 289 HA SER 38 HA SER 38 -3.376 6.405 5.885 290 HB2 SER 38 2HB SER 38 -1.746 7.082 7.786 291 HB3 SER 38 1HB SER 38 -3.300 6.381 8.233 292 HG SER 38 HG SER 38 -0.744 5.135 8.210 293 H GLU 39 H GLU 39 -1.894 7.888 5.131 294 HA GLU 39 HA GLU 39 0.200 6.767 3.521 295 HB2 GLU 39 2HB GLU 39 -0.390 9.695 3.949 296 HB3 GLU 39 1HB GLU 39 0.398 8.947 2.576 297 HG2 GLU 39 2HG GLU 39 -1.638 9.290 1.656 298 HG3 GLU 39 1HG GLU 39 -1.933 7.710 2.376 299 H ASN 40 H ASN 40 2.346 6.748 3.935 300 HA ASN 40 HA ASN 40 3.345 8.380 6.163 301 HB2 ASN 40 2HB ASN 40 2.936 6.103 7.029 302 HB3 ASN 40 1HB ASN 40 3.983 5.445 5.777 303 HD21 ASN 40 1HD2 ASN 40 5.434 4.568 7.247 304 HD22 ASN 40 2HD2 ASN 40 6.510 5.544 8.187 305 H SER 41 H SER 41 4.783 9.672 5.324 306 HA SER 41 HA SER 41 6.757 10.373 4.460 307 HB2 SER 41 2HB SER 41 7.716 8.305 5.392 308 HB3 SER 41 1HB SER 41 7.298 7.446 3.911 309 HG SER 41 HG SER 41 8.658 9.078 2.830 310 H GLY 42 H GLY 42 4.266 9.257 2.758 311 HA2 GLY 42 2HA GLY 42 4.105 10.547 0.580 312 HA3 GLY 42 1HA GLY 42 5.577 9.685 0.148 313 H TRP 43 H TRP 43 5.126 7.168 0.969 314 HA TRP 43 HA TRP 43 3.049 6.254 -0.837 315 HB2 TRP 43 2HB TRP 43 5.132 4.811 0.806 316 HB3 TRP 43 1HB TRP 43 3.899 3.962 -0.117 317 HD1 TRP 43 HD1 TRP 43 4.417 6.466 -2.483 318 HE1 TRP 43 HE1 TRP 43 6.319 5.940 -4.142 319 HE3 TRP 43 HE3 TRP 43 6.808 2.827 0.164 320 HZ2 TRP 43 HZ2 TRP 43 8.548 4.193 -4.301 321 HZ3 TRP 43 HZ3 TRP 43 8.818 1.780 -0.798 322 HH2 TRP 43 HH2 TRP 43 9.667 2.451 -2.986 323 H SER 44 H SER 44 1.515 4.582 -0.146 324 HA SER 44 HA SER 44 0.366 5.329 2.442 325 HB2 SER 44 2HB SER 44 -0.838 3.832 0.103 326 HB3 SER 44 1HB SER 44 -1.690 4.224 1.595 327 HG SER 44 HG SER 44 -0.441 6.282 0.132 328 H LYS 45 H LYS 45 0.012 3.915 4.066 329 HA LYS 45 HA LYS 45 1.459 1.431 4.043 330 HB2 LYS 45 2HB LYS 45 -0.025 3.078 6.048 331 HB3 LYS 45 1HB LYS 45 0.325 1.402 6.417 332 HG2 LYS 45 2HG LYS 45 2.468 3.302 5.558 333 HG3 LYS 45 1HG LYS 45 1.955 3.172 7.241 334 HD2 LYS 45 2HD LYS 45 3.043 0.941 5.529 335 HD3 LYS 45 1HD LYS 45 3.894 1.773 6.832 336 HE2 LYS 45 2HE LYS 45 1.997 1.025 8.342 337 HE3 LYS 45 1HE LYS 45 1.510 -0.043 7.028 338 HZ1 LYS 45 3HZ LYS 45 4.023 -0.099 8.589 339 HZ2 LYS 45 1HZ LYS 45 3.864 -0.921 7.113 340 HZ3 LYS 45 2HZ LYS 45 2.865 -1.327 8.423 341 H ILE 46 H ILE 46 0.574 -0.392 3.283 342 HA ILE 46 HA ILE 46 -2.178 -0.998 4.096 343 HB ILE 46 HB ILE 46 -2.636 -2.186 2.022 344 HG12 ILE 46 2HG1 ILE 46 -0.199 -2.630 1.463 345 HG13 ILE 46 1HG1 ILE 46 -1.241 -2.199 0.115 346 HG21 ILE 46 1HG2 ILE 46 -3.416 0.063 2.157 347 HG22 ILE 46 2HG2 ILE 46 -2.860 -0.243 0.512 348 HG23 ILE 46 3HG2 ILE 46 -1.855 0.686 1.624 349 HD11 ILE 46 3HD1 ILE 46 0.919 -1.122 -0.052 350 HD12 ILE 46 1HD1 ILE 46 0.681 -0.361 1.522 351 HD13 ILE 46 2HD1 ILE 46 -0.360 0.074 0.164 352 H ASN 47 H ASN 47 -2.547 -3.080 4.710 353 HA ASN 47 HA ASN 47 -0.276 -4.950 4.566 354 HB2 ASN 47 2HB ASN 47 -0.802 -4.083 6.894 355 HB3 ASN 47 1HB ASN 47 -2.365 -4.880 6.756 356 HD21 ASN 47 1HD2 ASN 47 -0.129 -5.307 8.597 357 HD22 ASN 47 2HD2 ASN 47 0.287 -6.983 8.457 358 H TYR 48 H TYR 48 -0.750 -6.569 3.240 359 HA TYR 48 HA TYR 48 -3.585 -6.945 2.566 360 HB2 TYR 48 2HB TYR 48 -2.091 -6.107 0.765 361 HB3 TYR 48 1HB TYR 48 -1.137 -7.577 0.904 362 HD1 TYR 48 HD2 TYR 48 -4.468 -6.260 -0.030 363 HD2 TYR 48 HD1 TYR 48 -1.797 -9.561 -0.216 364 HE1 TYR 48 HE2 TYR 48 -5.926 -7.339 -1.685 365 HE2 TYR 48 HE1 TYR 48 -3.245 -10.649 -1.877 366 HH TYR 48 HH TYR 48 -5.616 -10.584 -2.580 367 H ASN 49 H ASN 49 -3.925 -8.430 4.280 368 HA ASN 49 HA ASN 49 -4.306 -10.549 5.021 369 HB2 ASN 49 2HB ASN 49 -4.698 -10.814 2.458 370 HB3 ASN 49 1HB ASN 49 -3.142 -11.628 2.462 371 HD21 ASN 49 1HD2 ASN 49 -2.995 -13.690 3.153 372 HD22 ASN 49 2HD2 ASN 49 -4.345 -14.625 3.710 373 H GLY 50 H GLY 50 -1.957 -9.377 5.880 374 HA2 GLY 50 2HA GLY 50 -0.449 -10.343 7.421 375 HA3 GLY 50 1HA GLY 50 -0.474 -11.826 6.484 376 H GLN 51 H GLN 51 -0.053 -9.996 4.008 377 HA GLN 51 HA GLN 51 2.841 -9.736 4.404 378 HB2 GLN 51 2HB GLN 51 2.908 -9.603 1.863 379 HB3 GLN 51 1HB GLN 51 2.494 -11.155 2.570 380 HG2 GLN 51 2HG GLN 51 0.076 -10.530 2.212 381 HG3 GLN 51 1HG GLN 51 0.667 -9.170 1.264 382 HE21 GLN 51 1HE2 GLN 51 1.559 -9.531 -0.730 383 HE22 GLN 51 2HE2 GLN 51 1.415 -11.037 -1.557 384 H THR 52 H THR 52 3.815 -7.862 4.345 385 HA THR 52 HA THR 52 2.099 -5.515 4.434 386 HB THR 52 HB THR 52 5.030 -5.334 4.961 387 HG1 THR 52 HG1 THR 52 4.396 -6.136 7.189 388 HG21 THR 52 3HG2 THR 52 3.553 -3.393 5.244 389 HG22 THR 52 1HG2 THR 52 4.254 -3.895 6.781 390 HG23 THR 52 2HG2 THR 52 2.581 -4.303 6.402 391 H GLY 53 H GLY 53 2.534 -3.571 3.268 392 HA2 GLY 53 2HA GLY 53 4.644 -3.533 1.301 393 HA3 GLY 53 1HA GLY 53 3.041 -3.718 0.610 394 H TYR 54 H TYR 54 4.428 -1.618 -0.179 395 HA TYR 54 HA TYR 54 2.901 0.607 0.988 396 HB2 TYR 54 2HB TYR 54 5.787 0.620 0.116 397 HB3 TYR 54 1HB TYR 54 4.841 2.090 0.235 398 HD1 TYR 54 HD1 TYR 54 4.193 2.982 2.397 399 HD2 TYR 54 HD2 TYR 54 6.558 -0.543 2.099 400 HE1 TYR 54 HE1 TYR 54 4.827 3.216 4.759 401 HE2 TYR 54 HE2 TYR 54 7.187 -0.324 4.466 402 HH TYR 54 HH TYR 54 7.368 1.480 6.167 403 H ILE 55 H ILE 55 2.045 2.027 -0.547 404 HA ILE 55 HA ILE 55 2.750 1.537 -3.349 405 HB ILE 55 HB ILE 55 0.339 1.784 -3.999 406 HG12 ILE 55 2HG1 ILE 55 -1.224 0.887 -2.083 407 HG13 ILE 55 1HG1 ILE 55 -0.006 1.592 -1.026 408 HG21 ILE 55 1HG2 ILE 55 -0.220 -0.571 -3.509 409 HG22 ILE 55 2HG2 ILE 55 1.147 -0.629 -2.395 410 HG23 ILE 55 3HG2 ILE 55 1.421 -0.347 -4.115 411 HD11 ILE 55 3HD1 ILE 55 -0.361 3.766 -2.067 412 HD12 ILE 55 1HD1 ILE 55 -1.860 3.116 -1.402 413 HD13 ILE 55 2HD1 ILE 55 -1.568 3.058 -3.141 414 H GLY 56 H GLY 56 2.004 3.281 -4.804 415 HA2 GLY 56 2HA GLY 56 2.649 5.815 -3.603 416 HA3 GLY 56 1HA GLY 56 2.335 5.517 -5.303 417 H THR 57 H THR 57 1.271 7.212 -2.792 418 HA THR 57 HA THR 57 -1.498 6.760 -2.672 419 HB THR 57 HB THR 57 -0.170 9.422 -2.156 420 HG1 THR 57 HG1 THR 57 0.990 8.450 -0.666 421 HG21 THR 57 3HG2 THR 57 -2.495 7.987 -0.853 422 HG22 THR 57 1HG2 THR 57 -2.601 9.391 -1.917 423 HG23 THR 57 2HG2 THR 57 -1.839 9.540 -0.333 424 H ARG 58 H ARG 58 0.297 7.942 -5.228 425 HA ARG 58 HA ARG 58 -1.324 10.013 -6.229 426 HB2 ARG 58 2HB ARG 58 0.490 8.096 -7.700 427 HB3 ARG 58 1HB ARG 58 -0.155 9.588 -8.350 428 HG2 ARG 58 2HG ARG 58 1.071 10.841 -6.608 429 HG3 ARG 58 1HG ARG 58 1.778 9.318 -6.063 430 HD2 ARG 58 2HD ARG 58 2.699 8.995 -8.346 431 HD3 ARG 58 1HD ARG 58 2.093 10.591 -8.779 432 HE ARG 58 HE ARG 58 3.881 10.441 -6.485 433 HH11 ARG 58 1HH1 ARG 58 3.477 11.178 -9.898 434 HH12 ARG 58 2HH1 ARG 58 4.984 12.037 -10.013 435 HH21 ARG 58 1HH2 ARG 58 5.830 11.584 -6.634 436 HH22 ARG 58 2HH2 ARG 58 6.320 12.295 -8.142 437 H TYR 59 H TYR 59 -1.411 6.497 -6.596 438 HA TYR 59 HA TYR 59 -3.878 6.797 -8.141 439 HB2 TYR 59 2HB TYR 59 -1.513 5.035 -8.621 440 HB3 TYR 59 1HB TYR 59 -3.108 4.506 -9.125 441 HD1 TYR 59 HD2 TYR 59 -0.631 7.226 -9.506 442 HD2 TYR 59 HD1 TYR 59 -4.091 5.350 -11.107 443 HE1 TYR 59 HE2 TYR 59 -0.428 8.605 -11.533 444 HE2 TYR 59 HE1 TYR 59 -3.904 6.721 -13.140 445 HH TYR 59 HH TYR 59 -1.128 8.542 -13.887 446 H LEU 60 H LEU 60 -5.539 6.006 -7.245 447 HA LEU 60 HA LEU 60 -5.614 3.513 -5.794 448 HB2 LEU 60 2HB LEU 60 -6.143 6.166 -4.425 449 HB3 LEU 60 1HB LEU 60 -6.827 4.660 -3.846 450 HG LEU 60 HG LEU 60 -3.866 5.206 -4.084 451 HD11 LEU 60 1HD1 LEU 60 -5.646 5.231 -1.652 452 HD12 LEU 60 2HD1 LEU 60 -4.898 6.642 -2.399 453 HD13 LEU 60 3HD1 LEU 60 -3.891 5.400 -1.655 454 HD21 LEU 60 3HD2 LEU 60 -4.444 2.848 -4.255 455 HD22 LEU 60 1HD2 LEU 60 -5.399 2.963 -2.778 456 HD23 LEU 60 2HD2 LEU 60 -3.651 3.189 -2.718 457 H SER 61 H SER 61 -8.106 3.275 -5.066 458 HA SER 61 HA SER 61 -9.653 4.553 -7.210 459 HB2 SER 61 2HB SER 61 -11.268 2.594 -6.790 460 HB3 SER 61 1HB SER 61 -9.756 2.254 -7.628 461 HG SER 61 HG SER 61 -10.663 1.094 -5.472 462 H LYS 62 H LYS 62 -10.889 6.103 -6.605 463 HA LYS 62 HA LYS 62 -12.901 5.773 -4.636 464 HB2 LYS 62 2HB LYS 62 -12.303 7.602 -3.129 465 HB3 LYS 62 1HB LYS 62 -11.073 6.350 -3.102 466 HG2 LYS 62 2HG LYS 62 -9.742 8.181 -3.171 467 HG3 LYS 62 1HG LYS 62 -9.942 7.922 -4.903 468 HD2 LYS 62 2HD LYS 62 -11.713 9.597 -4.961 469 HD3 LYS 62 1HD LYS 62 -11.576 9.820 -3.216 470 HE2 LYS 62 2HE LYS 62 -9.194 10.498 -3.576 471 HE3 LYS 62 1HE LYS 62 -9.505 10.461 -5.311 472 HZ1 LYS 62 3HZ LYS 62 -9.695 12.699 -4.304 473 HZ2 LYS 62 1HZ LYS 62 -11.006 12.145 -3.376 474 HZ3 LYS 62 2HZ LYS 62 -11.130 12.192 -5.067 475 H LEU 63 H LEU 63 -11.206 7.554 -7.030 476 HA LEU 63 HA LEU 63 -13.283 9.521 -7.433 477 HB2 LEU 63 2HB LEU 63 -10.862 9.949 -7.899 478 HB3 LEU 63 1HB LEU 63 -10.939 8.772 -9.195 479 HG LEU 63 HG LEU 63 -12.592 10.194 -10.364 480 HD11 LEU 63 1HD1 LEU 63 -12.951 12.485 -9.617 481 HD12 LEU 63 2HD1 LEU 63 -12.006 12.165 -8.162 482 HD13 LEU 63 3HD1 LEU 63 -13.538 11.327 -8.422 483 HD21 LEU 63 3HD2 LEU 63 -11.013 11.934 -11.040 484 HD22 LEU 63 1HD2 LEU 63 -10.227 10.359 -10.903 485 HD23 LEU 63 2HD2 LEU 63 -10.011 11.566 -9.633 486 H GLU 64 H GLU 64 -14.069 6.752 -7.470 487 HA GLU 64 HA GLU 64 -14.572 5.959 -10.157 488 HB2 GLU 64 2HB GLU 64 -16.279 4.423 -9.025 489 HB3 GLU 64 1HB GLU 64 -14.586 4.188 -8.625 490 HG2 GLU 64 2HG GLU 64 -14.947 5.511 -6.560 491 HG3 GLU 64 1HG GLU 64 -16.664 5.583 -6.958 492 H HIS 65 H HIS 65 -17.155 5.444 -10.516 493 HA HIS 65 HA HIS 65 -19.003 6.421 -11.392 494 HB2 HIS 65 2HB HIS 65 -18.560 7.984 -8.959 495 HB3 HIS 65 1HB HIS 65 -19.360 8.907 -10.225 496 HD1 HIS 65 HD1 HIS 65 -19.796 5.634 -8.327 497 HD2 HIS 65 HD2 HIS 65 -22.030 8.463 -10.410 498 HE1 HIS 65 HE1 HIS 65 -22.201 4.980 -8.001 499 HE2 HIS 65 HE2 HIS 65 -23.535 6.814 -9.100 500 H HIS 66 H HIS 66 -16.236 6.923 -12.251 501 HA HIS 66 HA HIS 66 -16.374 9.580 -13.444 502 HB2 HIS 66 2HB HIS 66 -14.073 9.100 -14.270 503 HB3 HIS 66 1HB HIS 66 -14.214 9.010 -12.521 504 HD1 HIS 66 HD1 HIS 66 -13.669 6.841 -15.561 505 HD2 HIS 66 HD2 HIS 66 -13.634 6.525 -11.412 506 HE1 HIS 66 HE1 HIS 66 -12.642 4.606 -15.059 507 HE2 HIS 66 HE2 HIS 66 -12.447 4.526 -12.547 508 H HIS 67 H HIS 67 -16.715 9.969 -15.549 509 HA HIS 67 HA HIS 67 -17.882 7.786 -17.062 510 HB2 HIS 67 2HB HIS 67 -17.737 10.758 -17.580 511 HB3 HIS 67 1HB HIS 67 -18.529 9.611 -18.656 512 HD1 HIS 67 HD1 HIS 67 -19.007 11.547 -15.558 513 HD2 HIS 67 HD2 HIS 67 -20.906 8.444 -17.571 514 HE1 HIS 67 HE1 HIS 67 -21.304 11.386 -14.545 515 HE2 HIS 67 HE2 HIS 67 -22.497 9.650 -15.932 516 H HIS 68 H HIS 68 -17.222 7.094 -19.051 517 HA HIS 68 HA HIS 68 -14.453 7.716 -19.794 518 HB2 HIS 68 2HB HIS 68 -14.686 5.745 -21.325 519 HB3 HIS 68 1HB HIS 68 -14.944 5.345 -19.633 520 HD1 HIS 68 HD1 HIS 68 -16.920 3.936 -19.203 521 HD2 HIS 68 HD2 HIS 68 -17.339 6.124 -22.717 522 HE1 HIS 68 HE1 HIS 68 -19.094 3.188 -20.218 523 HE2 HIS 68 HE2 HIS 68 -19.427 4.680 -22.213 524 H HIS 69 H HIS 69 -16.279 9.750 -20.199 525 HA HIS 69 HA HIS 69 -17.227 11.170 -21.686 526 HB2 HIS 69 2HB HIS 69 -15.112 10.935 -22.971 527 HB3 HIS 69 1HB HIS 69 -15.797 9.554 -23.817 528 HD1 HIS 69 HD1 HIS 69 -17.389 10.012 -25.755 529 HD2 HIS 69 HD2 HIS 69 -16.238 13.449 -23.700 530 HE1 HIS 69 HE1 HIS 69 -18.148 11.947 -27.176 531 HE2 HIS 69 HE2 HIS 69 -17.531 14.015 -25.869 532 H HIS 70 H HIS 70 -19.240 10.522 -21.186 533 HA HIS 70 HA HIS 70 -21.304 9.648 -21.384 534 HB2 HIS 70 2HB HIS 70 -20.999 10.513 -23.762 535 HB3 HIS 70 1HB HIS 70 -20.628 8.850 -24.210 536 HD1 HIS 70 HD1 HIS 70 -22.577 7.138 -24.156 537 HD2 HIS 70 HD2 HIS 70 -23.682 11.035 -23.220 538 HE1 HIS 70 HE1 HIS 70 -25.087 7.166 -24.225 539 HE2 HIS 70 HE2 HIS 70 -25.716 9.579 -23.876 Start of MODEL 2 1 H1 MET 1 1H MET 1 8.640 6.562 -9.321 2 H2 MET 1 2H MET 1 7.162 5.760 -9.553 3 H3 MET 1 3H MET 1 7.200 7.446 -9.377 4 HA MET 1 HA MET 1 8.420 5.953 -11.619 5 HB2 MET 1 2HB MET 1 6.585 6.603 -12.960 6 HB3 MET 1 1HB MET 1 5.868 6.001 -11.473 7 HG2 MET 1 2HG MET 1 6.270 8.898 -12.196 8 HG3 MET 1 1HG MET 1 4.751 8.013 -12.263 9 HE1 MET 1 3HE MET 1 5.105 10.805 -10.744 10 HE2 MET 1 1HE MET 1 4.170 10.475 -9.288 11 HE3 MET 1 2HE MET 1 3.593 9.910 -10.856 12 H ILE 2 H ILE 2 8.598 7.659 -13.510 13 HA ILE 2 HA ILE 2 9.998 9.966 -12.353 14 HB ILE 2 HB ILE 2 10.917 10.269 -14.689 15 HG12 ILE 2 2HG1 ILE 2 9.828 7.471 -15.089 16 HG13 ILE 2 1HG1 ILE 2 9.170 8.918 -15.845 17 HG21 ILE 2 1HG2 ILE 2 11.545 7.686 -13.263 18 HG22 ILE 2 2HG2 ILE 2 12.213 9.274 -12.885 19 HG23 ILE 2 3HG2 ILE 2 12.591 8.505 -14.426 20 HD11 ILE 2 3HD1 ILE 2 10.592 7.695 -17.382 21 HD12 ILE 2 1HD1 ILE 2 11.939 7.816 -16.251 22 HD13 ILE 2 2HD1 ILE 2 11.289 9.270 -17.007 23 H GLY 3 H GLY 3 7.860 9.262 -15.105 24 HA2 GLY 3 2HA GLY 3 6.193 11.530 -14.477 25 HA3 GLY 3 1HA GLY 3 7.150 11.736 -15.943 26 H ASP 4 H ASP 4 6.167 8.619 -14.958 27 HA ASP 4 HA ASP 4 4.984 7.935 -17.386 28 HB2 ASP 4 2HB ASP 4 4.542 6.636 -14.691 29 HB3 ASP 4 1HB ASP 4 4.325 5.884 -16.268 30 H TYR 5 H TYR 5 3.173 8.743 -18.187 31 HA TYR 5 HA TYR 5 1.141 9.725 -16.317 32 HB2 TYR 5 2HB TYR 5 2.154 11.302 -17.988 33 HB3 TYR 5 1HB TYR 5 1.420 10.340 -19.265 34 HD1 TYR 5 HD1 TYR 5 0.732 12.593 -16.427 35 HD2 TYR 5 HD2 TYR 5 -0.913 10.549 -19.776 36 HE1 TYR 5 HE1 TYR 5 -1.325 13.923 -16.225 37 HE2 TYR 5 HE2 TYR 5 -2.971 11.878 -19.583 38 HH TYR 5 HH TYR 5 -3.204 14.654 -17.636 39 H TYR 6 H TYR 6 0.004 7.891 -15.868 40 HA TYR 6 HA TYR 6 -1.593 6.830 -18.112 41 HB2 TYR 6 2HB TYR 6 -0.767 5.462 -15.538 42 HB3 TYR 6 1HB TYR 6 -1.944 4.808 -16.666 43 HD1 TYR 6 HD2 TYR 6 -1.220 4.051 -18.907 44 HD2 TYR 6 HD1 TYR 6 1.580 5.277 -15.950 45 HE1 TYR 6 HE2 TYR 6 0.573 2.912 -20.143 46 HE2 TYR 6 HE1 TYR 6 3.383 4.138 -17.174 47 HH TYR 6 HH TYR 6 3.594 2.241 -18.803 48 H ILE 7 H ILE 7 -1.590 7.316 -14.619 49 HA ILE 7 HA ILE 7 -3.199 7.695 -13.086 50 HB ILE 7 HB ILE 7 -4.579 9.250 -15.276 51 HG12 ILE 7 2HG1 ILE 7 -2.505 10.151 -13.261 52 HG13 ILE 7 1HG1 ILE 7 -2.218 9.927 -14.984 53 HG21 ILE 7 1HG2 ILE 7 -5.993 8.847 -13.335 54 HG22 ILE 7 2HG2 ILE 7 -5.516 10.541 -13.399 55 HG23 ILE 7 3HG2 ILE 7 -4.728 9.447 -12.264 56 HD11 ILE 7 3HD1 ILE 7 -4.116 11.919 -13.762 57 HD12 ILE 7 1HD1 ILE 7 -3.800 11.707 -15.485 58 HD13 ILE 7 2HD1 ILE 7 -2.516 12.273 -14.417 59 H ASN 8 H ASN 8 -3.762 5.515 -12.990 60 HA ASN 8 HA ASN 8 -5.145 3.732 -12.951 61 HB2 ASN 8 2HB ASN 8 -7.182 5.776 -13.856 62 HB3 ASN 8 1HB ASN 8 -7.588 4.092 -13.545 63 HD21 ASN 8 1HD2 ASN 8 -6.677 7.124 -12.133 64 HD22 ASN 8 2HD2 ASN 8 -6.993 6.685 -10.492 65 H ALA 9 H ALA 9 -6.807 2.500 -14.508 66 HA ALA 9 HA ALA 9 -7.136 1.379 -16.462 67 HB1 ALA 9 3HB ALA 9 -6.011 3.847 -17.791 68 HB2 ALA 9 1HB ALA 9 -7.707 3.582 -17.381 69 HB3 ALA 9 2HB ALA 9 -6.919 2.555 -18.579 70 H SER 10 H SER 10 -4.712 1.045 -14.979 71 HA SER 10 HA SER 10 -3.109 -0.282 -16.986 72 HB2 SER 10 2HB SER 10 -2.235 2.089 -16.876 73 HB3 SER 10 1HB SER 10 -1.817 1.790 -15.191 74 HG SER 10 HG SER 10 -0.883 0.158 -17.313 75 H ALA 11 H ALA 11 -1.033 -1.202 -15.609 76 HA ALA 11 HA ALA 11 -2.083 -2.937 -13.656 77 HB1 ALA 11 3HB ALA 11 0.229 -3.568 -13.216 78 HB2 ALA 11 1HB ALA 11 0.795 -2.164 -14.119 79 HB3 ALA 11 2HB ALA 11 -0.074 -3.456 -14.949 80 H LEU 12 H LEU 12 -0.270 0.084 -13.398 81 HA LEU 12 HA LEU 12 -0.457 0.103 -10.522 82 HB2 LEU 12 2HB LEU 12 0.446 2.436 -10.716 83 HB3 LEU 12 1HB LEU 12 1.473 1.178 -11.363 84 HG LEU 12 HG LEU 12 -0.293 2.847 -13.149 85 HD11 LEU 12 1HD1 LEU 12 1.680 4.250 -13.560 86 HD12 LEU 12 2HD1 LEU 12 2.540 3.398 -12.275 87 HD13 LEU 12 3HD1 LEU 12 1.121 4.373 -11.891 88 HD21 LEU 12 3HD2 LEU 12 0.620 0.793 -14.116 89 HD22 LEU 12 1HD2 LEU 12 2.244 1.283 -13.635 90 HD23 LEU 12 2HD2 LEU 12 1.363 2.219 -14.842 91 H ASN 13 H ASN 13 -2.763 -0.309 -10.679 92 HA ASN 13 HA ASN 13 -4.330 2.164 -11.030 93 HB2 ASN 13 2HB ASN 13 -4.784 0.217 -12.611 94 HB3 ASN 13 1HB ASN 13 -5.397 -0.658 -11.212 95 HD21 ASN 13 1HD2 ASN 13 -7.326 0.027 -10.256 96 HD22 ASN 13 2HD2 ASN 13 -8.426 1.079 -11.068 97 H VAL 14 H VAL 14 -3.975 -0.810 -9.117 98 HA VAL 14 HA VAL 14 -5.433 0.527 -6.932 99 HB VAL 14 HB VAL 14 -5.482 -2.448 -7.470 100 HG11 VAL 14 1HG1 VAL 14 -7.335 -2.467 -5.890 101 HG12 VAL 14 2HG1 VAL 14 -7.179 -0.724 -5.670 102 HG13 VAL 14 3HG1 VAL 14 -5.882 -1.799 -5.147 103 HG21 VAL 14 3HG2 VAL 14 -7.755 -2.140 -8.303 104 HG22 VAL 14 1HG2 VAL 14 -6.583 -1.280 -9.300 105 HG23 VAL 14 2HG2 VAL 14 -7.580 -0.391 -8.149 106 H ARG 15 H ARG 15 -3.487 -2.447 -7.370 107 HA ARG 15 HA ARG 15 -1.741 -1.535 -5.180 108 HB2 ARG 15 2HB ARG 15 -3.317 -4.018 -5.364 109 HB3 ARG 15 1HB ARG 15 -1.645 -4.224 -4.878 110 HG2 ARG 15 2HG ARG 15 -2.662 -4.017 -2.849 111 HG3 ARG 15 1HG ARG 15 -2.210 -2.342 -3.162 112 HD2 ARG 15 2HD ARG 15 -4.855 -3.200 -4.149 113 HD3 ARG 15 1HD ARG 15 -4.668 -3.101 -2.400 114 HE ARG 15 HE ARG 15 -3.822 -0.784 -3.961 115 HH11 ARG 15 1HH1 ARG 15 -6.267 -2.305 -1.971 116 HH12 ARG 15 2HH1 ARG 15 -7.068 -0.813 -1.590 117 HH21 ARG 15 1HH2 ARG 15 -4.886 1.181 -3.498 118 HH22 ARG 15 2HH2 ARG 15 -6.276 1.186 -2.457 119 H SER 16 H SER 16 0.374 -1.921 -5.417 120 HA SER 16 HA SER 16 2.349 -2.359 -6.430 121 HB2 SER 16 2HB SER 16 2.677 -4.782 -6.967 122 HB3 SER 16 1HB SER 16 1.993 -4.480 -5.372 123 HG SER 16 HG SER 16 0.382 -5.016 -7.634 124 H GLY 17 H GLY 17 1.727 -0.827 -8.169 125 HA2 GLY 17 2HA GLY 17 1.876 -2.275 -10.735 126 HA3 GLY 17 1HA GLY 17 0.942 -0.796 -10.556 127 H GLU 18 H GLU 18 3.293 -0.051 -8.638 128 HA GLU 18 HA GLU 18 5.477 0.469 -10.399 129 HB2 GLU 18 2HB GLU 18 3.573 2.121 -11.045 130 HB3 GLU 18 1HB GLU 18 3.935 2.909 -9.519 131 HG2 GLU 18 2HG GLU 18 5.933 2.478 -11.728 132 HG3 GLU 18 1HG GLU 18 5.014 3.960 -11.477 133 H GLY 19 H GLY 19 7.115 0.206 -9.003 134 HA2 GLY 19 2HA GLY 19 8.048 1.753 -7.104 135 HA3 GLY 19 1HA GLY 19 6.739 0.991 -6.208 136 H THR 20 H THR 20 8.214 0.072 -4.757 137 HA THR 20 HA THR 20 10.415 -1.499 -5.554 138 HB THR 20 HB THR 20 9.052 -1.883 -2.918 139 HG1 THR 20 HG1 THR 20 10.726 0.193 -2.775 140 HG21 THR 20 3HG2 THR 20 11.350 -1.958 -2.110 141 HG22 THR 20 1HG2 THR 20 11.946 -1.563 -3.721 142 HG23 THR 20 2HG2 THR 20 11.134 -3.102 -3.436 143 H ASN 21 H ASN 21 7.047 -2.247 -4.920 144 HA ASN 21 HA ASN 21 7.531 -4.990 -5.852 145 HB2 ASN 21 2HB ASN 21 7.214 -4.954 -3.356 146 HB3 ASN 21 1HB ASN 21 5.608 -4.289 -3.619 147 HD21 ASN 21 1HD2 ASN 21 6.559 -6.809 -2.403 148 HD22 ASN 21 2HD2 ASN 21 5.717 -8.069 -3.232 149 H TYR 22 H TYR 22 6.275 -5.503 -7.523 150 HA TYR 22 HA TYR 22 3.925 -3.808 -8.040 151 HB2 TYR 22 2HB TYR 22 4.676 -3.885 -10.501 152 HB3 TYR 22 1HB TYR 22 5.534 -2.800 -9.413 153 HD1 TYR 22 HD1 TYR 22 5.766 -5.890 -11.385 154 HD2 TYR 22 HD2 TYR 22 7.830 -3.231 -8.782 155 HE1 TYR 22 HE1 TYR 22 7.897 -6.948 -11.999 156 HE2 TYR 22 HE2 TYR 22 9.965 -4.280 -9.394 157 HH TYR 22 HH TYR 22 10.385 -6.224 -12.017 158 H ARG 23 H ARG 23 4.624 -6.867 -7.379 159 HA ARG 23 HA ARG 23 3.000 -7.926 -9.604 160 HB2 ARG 23 2HB ARG 23 5.481 -8.669 -9.216 161 HB3 ARG 23 1HB ARG 23 4.767 -9.705 -7.986 162 HG2 ARG 23 2HG ARG 23 3.149 -10.385 -9.926 163 HG3 ARG 23 1HG ARG 23 4.455 -9.784 -10.948 164 HD2 ARG 23 2HD ARG 23 4.898 -12.071 -10.712 165 HD3 ARG 23 1HD ARG 23 5.987 -11.290 -9.565 166 HE ARG 23 HE ARG 23 3.396 -12.290 -8.612 167 HH11 ARG 23 1HH1 ARG 23 6.893 -12.598 -8.708 168 HH12 ARG 23 2HH1 ARG 23 6.965 -13.634 -7.309 169 HH21 ARG 23 1HH2 ARG 23 3.491 -13.677 -6.795 170 HH22 ARG 23 2HH2 ARG 23 5.033 -14.265 -6.238 171 H ILE 24 H ILE 24 2.831 -7.330 -6.297 172 HA ILE 24 HA ILE 24 1.943 -9.858 -5.402 173 HB ILE 24 HB ILE 24 1.092 -8.522 -3.365 174 HG12 ILE 24 2HG1 ILE 24 2.814 -6.432 -4.717 175 HG13 ILE 24 1HG1 ILE 24 1.075 -6.314 -4.460 176 HG21 ILE 24 1HG2 ILE 24 3.367 -8.462 -2.470 177 HG22 ILE 24 2HG2 ILE 24 4.013 -8.608 -4.103 178 HG23 ILE 24 3HG2 ILE 24 3.076 -9.928 -3.404 179 HD11 ILE 24 3HD1 ILE 24 3.186 -6.431 -2.316 180 HD12 ILE 24 1HD1 ILE 24 1.447 -6.335 -2.040 181 HD13 ILE 24 2HD1 ILE 24 2.290 -4.999 -2.829 182 H ILE 25 H ILE 25 -0.077 -6.865 -5.919 183 HA ILE 25 HA ILE 25 -2.331 -8.765 -5.838 184 HB ILE 25 HB ILE 25 -2.291 -5.885 -4.947 185 HG12 ILE 25 2HG1 ILE 25 -3.450 -7.046 -2.949 186 HG13 ILE 25 1HG1 ILE 25 -2.834 -8.538 -3.649 187 HG21 ILE 25 1HG2 ILE 25 -4.278 -6.193 -6.331 188 HG22 ILE 25 2HG2 ILE 25 -4.712 -6.041 -4.629 189 HG23 ILE 25 3HG2 ILE 25 -4.710 -7.626 -5.399 190 HD11 ILE 25 3HD1 ILE 25 -1.142 -6.194 -2.814 191 HD12 ILE 25 1HD1 ILE 25 -0.566 -7.747 -3.418 192 HD13 ILE 25 2HD1 ILE 25 -1.402 -7.659 -1.869 193 H GLY 26 H GLY 26 -1.722 -5.516 -7.261 194 HA2 GLY 26 2HA GLY 26 -1.616 -5.291 -9.667 195 HA3 GLY 26 1HA GLY 26 -2.739 -6.637 -9.792 196 H ALA 27 H ALA 27 -4.181 -5.503 -11.070 197 HA ALA 27 HA ALA 27 -5.414 -3.121 -9.846 198 HB1 ALA 27 3HB ALA 27 -4.280 -2.684 -11.973 199 HB2 ALA 27 1HB ALA 27 -6.020 -2.421 -12.095 200 HB3 ALA 27 2HB ALA 27 -5.301 -3.886 -12.763 201 H LEU 28 H LEU 28 -7.046 -4.034 -8.682 202 HA LEU 28 HA LEU 28 -9.374 -4.801 -10.160 203 HB2 LEU 28 2HB LEU 28 -8.202 -6.977 -9.949 204 HB3 LEU 28 1HB LEU 28 -8.214 -6.793 -8.206 205 HG LEU 28 HG LEU 28 -10.683 -6.843 -8.229 206 HD11 LEU 28 1HD1 LEU 28 -11.054 -5.968 -10.471 207 HD12 LEU 28 2HD1 LEU 28 -11.865 -7.518 -10.255 208 HD13 LEU 28 3HD1 LEU 28 -10.359 -7.431 -11.170 209 HD21 LEU 28 3HD2 LEU 28 -10.906 -9.226 -8.730 210 HD22 LEU 28 1HD2 LEU 28 -9.418 -8.891 -7.848 211 HD23 LEU 28 2HD2 LEU 28 -9.365 -9.193 -9.583 212 HA PRO 29 HA PRO 29 -10.261 -2.547 -6.300 213 HB2 PRO 29 2HB PRO 29 -12.013 -0.802 -7.670 214 HB3 PRO 29 1HB PRO 29 -10.360 -0.461 -7.164 215 HG2 PRO 29 2HG PRO 29 -11.278 -0.690 -9.805 216 HG3 PRO 29 1HG PRO 29 -9.589 -0.649 -9.279 217 HD2 PRO 29 2HD PRO 29 -11.281 -2.970 -10.044 218 HD3 PRO 29 1HD PRO 29 -9.527 -2.744 -10.209 219 H GLN 30 H GLN 30 -11.391 -4.541 -5.735 220 HA GLN 30 HA GLN 30 -14.222 -4.599 -6.521 221 HB2 GLN 30 2HB GLN 30 -12.827 -6.618 -6.952 222 HB3 GLN 30 1HB GLN 30 -12.562 -6.764 -5.221 223 HG2 GLN 30 2HG GLN 30 -14.944 -7.101 -4.871 224 HG3 GLN 30 1HG GLN 30 -15.236 -6.911 -6.598 225 HE21 GLN 30 1HE2 GLN 30 -13.969 -8.964 -4.107 226 HE22 GLN 30 2HE2 GLN 30 -13.836 -10.399 -5.074 227 H GLY 31 H GLY 31 -12.093 -4.947 -3.698 228 HA2 GLY 31 2HA GLY 31 -14.243 -3.820 -2.042 229 HA3 GLY 31 1HA GLY 31 -13.524 -5.350 -1.563 230 H GLN 32 H GLN 32 -13.288 -1.980 -1.426 231 HA GLN 32 HA GLN 32 -10.477 -2.030 -0.647 232 HB2 GLN 32 2HB GLN 32 -11.616 -0.224 -2.155 233 HB3 GLN 32 1HB GLN 32 -12.189 0.438 -0.633 234 HG2 GLN 32 2HG GLN 32 -9.311 0.036 -1.438 235 HG3 GLN 32 1HG GLN 32 -10.177 1.568 -1.362 236 HE21 GLN 32 1HE2 GLN 32 -10.645 2.470 0.655 237 HE22 GLN 32 2HE2 GLN 32 -9.831 1.964 2.093 238 H LYS 33 H LYS 33 -10.421 -2.972 1.328 239 HA LYS 33 HA LYS 33 -11.267 -1.253 3.507 240 HB2 LYS 33 2HB LYS 33 -13.095 -2.961 3.157 241 HB3 LYS 33 1HB LYS 33 -11.918 -4.210 3.543 242 HG2 LYS 33 2HG LYS 33 -11.607 -3.224 5.760 243 HG3 LYS 33 1HG LYS 33 -12.793 -1.981 5.367 244 HD2 LYS 33 2HD LYS 33 -14.522 -3.675 5.135 245 HD3 LYS 33 1HD LYS 33 -13.337 -4.946 5.453 246 HE2 LYS 33 2HE LYS 33 -14.134 -2.747 7.360 247 HE3 LYS 33 1HE LYS 33 -14.658 -4.429 7.448 248 HZ1 LYS 33 3HZ LYS 33 -12.772 -3.813 8.945 249 HZ2 LYS 33 1HZ LYS 33 -11.811 -3.612 7.566 250 HZ3 LYS 33 2HZ LYS 33 -12.465 -5.132 7.924 251 H VAL 34 H VAL 34 -8.767 -1.548 2.448 252 HA VAL 34 HA VAL 34 -7.396 -3.223 4.440 253 HB VAL 34 HB VAL 34 -7.150 -4.318 2.313 254 HG11 VAL 34 1HG1 VAL 34 -6.077 -1.698 1.273 255 HG12 VAL 34 2HG1 VAL 34 -7.600 -2.463 0.820 256 HG13 VAL 34 3HG1 VAL 34 -6.068 -3.227 0.393 257 HG21 VAL 34 3HG2 VAL 34 -5.220 -4.379 3.778 258 HG22 VAL 34 1HG2 VAL 34 -4.617 -2.874 3.084 259 HG23 VAL 34 2HG2 VAL 34 -4.701 -4.330 2.093 260 H GLN 35 H GLN 35 -7.047 -0.350 2.344 261 HA GLN 35 HA GLN 35 -4.808 0.540 3.940 262 HB2 GLN 35 2HB GLN 35 -5.310 2.687 2.396 263 HB3 GLN 35 1HB GLN 35 -4.311 1.333 1.893 264 HG2 GLN 35 2HG GLN 35 -6.208 0.348 0.740 265 HG3 GLN 35 1HG GLN 35 -7.234 1.678 1.271 266 HE21 GLN 35 1HE2 GLN 35 -3.936 2.258 0.385 267 HE22 GLN 35 2HE2 GLN 35 -4.266 3.061 -1.109 268 H VAL 36 H VAL 36 -6.054 0.504 5.877 269 HA VAL 36 HA VAL 36 -7.303 3.130 6.324 270 HB VAL 36 HB VAL 36 -8.961 1.238 6.394 271 HG11 VAL 36 1HG1 VAL 36 -8.939 -0.258 8.353 272 HG12 VAL 36 2HG1 VAL 36 -7.354 0.377 8.796 273 HG13 VAL 36 3HG1 VAL 36 -7.556 -0.512 7.286 274 HG21 VAL 36 3HG2 VAL 36 -9.408 3.311 7.589 275 HG22 VAL 36 1HG2 VAL 36 -8.549 2.697 9.002 276 HG23 VAL 36 2HG2 VAL 36 -10.046 1.928 8.475 277 H ILE 37 H ILE 37 -4.635 1.399 6.753 278 HA ILE 37 HA ILE 37 -4.230 1.621 9.588 279 HB ILE 37 HB ILE 37 -2.204 1.066 7.414 280 HG12 ILE 37 2HG1 ILE 37 -3.114 -1.128 9.145 281 HG13 ILE 37 1HG1 ILE 37 -4.363 -0.484 8.084 282 HG21 ILE 37 1HG2 ILE 37 -0.866 0.095 9.226 283 HG22 ILE 37 2HG2 ILE 37 -2.088 0.600 10.393 284 HG23 ILE 37 3HG2 ILE 37 -1.174 1.811 9.490 285 HD11 ILE 37 3HD1 ILE 37 -2.966 -0.907 6.150 286 HD12 ILE 37 1HD1 ILE 37 -3.201 -2.381 7.089 287 HD13 ILE 37 2HD1 ILE 37 -1.675 -1.501 7.196 288 H SER 38 H SER 38 -2.610 3.148 6.779 289 HA SER 38 HA SER 38 -2.852 5.759 7.725 290 HB2 SER 38 2HB SER 38 -0.409 6.156 8.305 291 HB3 SER 38 1HB SER 38 -1.353 5.278 9.505 292 HG SER 38 HG SER 38 0.021 3.710 9.313 293 H GLU 39 H GLU 39 -2.018 7.280 6.372 294 HA GLU 39 HA GLU 39 -0.786 6.264 3.903 295 HB2 GLU 39 2HB GLU 39 -2.307 8.859 4.228 296 HB3 GLU 39 1HB GLU 39 -1.773 8.112 2.738 297 HG2 GLU 39 2HG GLU 39 -4.038 7.676 2.758 298 HG3 GLU 39 1HG GLU 39 -3.339 6.180 3.373 299 H ASN 40 H ASN 40 1.244 6.993 3.465 300 HA ASN 40 HA ASN 40 2.303 9.001 5.321 301 HB2 ASN 40 2HB ASN 40 3.783 6.993 3.616 302 HB3 ASN 40 1HB ASN 40 4.535 8.145 4.708 303 HD21 ASN 40 1HD2 ASN 40 2.542 7.892 6.780 304 HD22 ASN 40 2HD2 ASN 40 2.793 6.346 7.521 305 H SER 41 H SER 41 4.170 10.274 4.368 306 HA SER 41 HA SER 41 3.146 11.966 2.367 307 HB2 SER 41 2HB SER 41 4.829 12.440 4.256 308 HB3 SER 41 1HB SER 41 6.048 11.803 3.158 309 HG SER 41 HG SER 41 5.539 14.195 3.196 310 H GLY 42 H GLY 42 5.030 9.087 2.207 311 HA2 GLY 42 2HA GLY 42 5.742 9.601 -0.600 312 HA3 GLY 42 1HA GLY 42 6.456 8.362 0.421 313 H TRP 43 H TRP 43 4.964 6.619 1.141 314 HA TRP 43 HA TRP 43 3.024 5.982 -0.981 315 HB2 TRP 43 2HB TRP 43 4.674 4.052 0.652 316 HB3 TRP 43 1HB TRP 43 3.482 3.606 -0.557 317 HD1 TRP 43 HD1 TRP 43 4.506 5.660 -2.869 318 HE1 TRP 43 HE1 TRP 43 6.709 5.080 -4.081 319 HE3 TRP 43 HE3 TRP 43 6.501 2.551 0.609 320 HZ2 TRP 43 HZ2 TRP 43 9.013 3.478 -3.597 321 HZ3 TRP 43 HZ3 TRP 43 8.706 1.523 0.186 322 HH2 TRP 43 HH2 TRP 43 9.931 1.981 -1.880 323 H SER 44 H SER 44 1.282 4.559 -0.336 324 HA SER 44 HA SER 44 0.265 5.213 2.316 325 HB2 SER 44 2HB SER 44 -1.244 5.391 0.358 326 HB3 SER 44 1HB SER 44 -1.030 3.672 0.046 327 HG SER 44 HG SER 44 -2.079 4.732 2.462 328 H LYS 45 H LYS 45 0.346 3.825 3.997 329 HA LYS 45 HA LYS 45 1.784 1.364 3.644 330 HB2 LYS 45 2HB LYS 45 2.299 2.941 5.435 331 HB3 LYS 45 1HB LYS 45 0.676 2.743 6.079 332 HG2 LYS 45 2HG LYS 45 1.116 0.484 6.675 333 HG3 LYS 45 1HG LYS 45 2.678 0.520 5.844 334 HD2 LYS 45 2HD LYS 45 1.896 2.246 8.175 335 HD3 LYS 45 1HD LYS 45 2.906 0.815 8.253 336 HE2 LYS 45 2HE LYS 45 4.584 1.825 6.885 337 HE3 LYS 45 1HE LYS 45 3.543 3.206 6.554 338 HZ1 LYS 45 3HZ LYS 45 5.298 3.622 8.233 339 HZ2 LYS 45 1HZ LYS 45 4.547 2.500 9.260 340 HZ3 LYS 45 2HZ LYS 45 3.724 3.915 8.809 341 H ILE 46 H ILE 46 0.900 -0.561 3.463 342 HA ILE 46 HA ILE 46 -1.783 -1.047 4.532 343 HB ILE 46 HB ILE 46 -2.597 -2.093 2.514 344 HG12 ILE 46 2HG1 ILE 46 0.063 -1.346 1.280 345 HG13 ILE 46 1HG1 ILE 46 -0.503 -2.974 1.628 346 HG21 ILE 46 1HG2 ILE 46 -1.485 0.640 1.898 347 HG22 ILE 46 2HG2 ILE 46 -3.001 0.293 2.728 348 HG23 ILE 46 3HG2 ILE 46 -2.802 -0.153 1.034 349 HD11 ILE 46 3HD1 ILE 46 -0.685 -2.437 -0.740 350 HD12 ILE 46 1HD1 ILE 46 -1.735 -1.076 -0.355 351 HD13 ILE 46 2HD1 ILE 46 -2.271 -2.721 -0.025 352 H ASN 47 H ASN 47 -2.268 -3.284 4.809 353 HA ASN 47 HA ASN 47 -0.012 -5.131 4.472 354 HB2 ASN 47 2HB ASN 47 -1.942 -4.901 6.790 355 HB3 ASN 47 1HB ASN 47 -0.978 -6.338 6.499 356 HD21 ASN 47 1HD2 ASN 47 -0.997 -4.471 8.746 357 HD22 ASN 47 2HD2 ASN 47 0.626 -3.900 8.896 358 H TYR 48 H TYR 48 -0.552 -6.562 2.940 359 HA TYR 48 HA TYR 48 -3.406 -7.136 2.587 360 HB2 TYR 48 2HB TYR 48 -1.224 -6.761 0.727 361 HB3 TYR 48 1HB TYR 48 -2.022 -8.306 0.453 362 HD1 TYR 48 HD1 TYR 48 -2.478 -4.666 0.510 363 HD2 TYR 48 HD2 TYR 48 -4.280 -8.406 -0.386 364 HE1 TYR 48 HE1 TYR 48 -4.304 -3.501 -0.640 365 HE2 TYR 48 HE2 TYR 48 -6.119 -7.251 -1.546 366 HH TYR 48 HH TYR 48 -7.188 -5.110 -1.651 367 H ASN 49 H ASN 49 -3.499 -8.531 4.340 368 HA ASN 49 HA ASN 49 -3.731 -10.575 5.259 369 HB2 ASN 49 2HB ASN 49 -3.030 -11.544 2.485 370 HB3 ASN 49 1HB ASN 49 -3.694 -12.548 3.772 371 HD21 ASN 49 1HD2 ASN 49 -4.784 -11.982 1.163 372 HD22 ASN 49 2HD2 ASN 49 -6.332 -11.248 1.424 373 H GLY 50 H GLY 50 -1.484 -9.507 6.054 374 HA2 GLY 50 2HA GLY 50 0.102 -10.507 7.481 375 HA3 GLY 50 1HA GLY 50 0.121 -11.916 6.439 376 H GLN 51 H GLN 51 0.472 -9.941 4.074 377 HA GLN 51 HA GLN 51 3.323 -9.464 4.587 378 HB2 GLN 51 2HB GLN 51 3.442 -9.254 2.013 379 HB3 GLN 51 1HB GLN 51 3.342 -10.846 2.740 380 HG2 GLN 51 2HG GLN 51 0.780 -9.598 2.000 381 HG3 GLN 51 1HG GLN 51 1.845 -10.056 0.672 382 HE21 GLN 51 1HE2 GLN 51 -0.736 -11.166 1.463 383 HE22 GLN 51 2HE2 GLN 51 -0.459 -12.853 1.751 384 H THR 52 H THR 52 4.101 -7.523 4.627 385 HA THR 52 HA THR 52 2.337 -5.280 4.586 386 HB THR 52 HB THR 52 5.359 -5.221 4.667 387 HG1 THR 52 HG1 THR 52 4.166 -6.605 6.312 388 HG21 THR 52 3HG2 THR 52 3.281 -3.319 5.758 389 HG22 THR 52 1HG2 THR 52 4.269 -3.049 4.321 390 HG23 THR 52 2HG2 THR 52 5.029 -3.141 5.912 391 H GLY 53 H GLY 53 1.986 -3.816 3.007 392 HA2 GLY 53 2HA GLY 53 3.724 -3.909 0.630 393 HA3 GLY 53 1HA GLY 53 1.975 -3.956 0.460 394 H TYR 54 H TYR 54 3.663 -1.979 -0.671 395 HA TYR 54 HA TYR 54 2.450 0.363 0.602 396 HB2 TYR 54 2HB TYR 54 5.317 0.266 -0.369 397 HB3 TYR 54 1HB TYR 54 4.485 1.689 0.242 398 HD1 TYR 54 HD1 TYR 54 3.745 1.687 2.677 399 HD2 TYR 54 HD2 TYR 54 6.430 -1.198 1.077 400 HE1 TYR 54 HE1 TYR 54 4.525 1.161 4.950 401 HE2 TYR 54 HE2 TYR 54 7.215 -1.734 3.341 402 HH TYR 54 HH TYR 54 5.616 -0.792 6.125 403 H ILE 55 H ILE 55 1.669 1.837 -0.843 404 HA ILE 55 HA ILE 55 2.406 1.540 -3.660 405 HB ILE 55 HB ILE 55 -0.033 1.908 -4.275 406 HG12 ILE 55 2HG1 ILE 55 -1.539 0.734 -2.451 407 HG13 ILE 55 1HG1 ILE 55 -0.310 1.338 -1.346 408 HG21 ILE 55 1HG2 ILE 55 0.724 -0.707 -2.990 409 HG22 ILE 55 2HG2 ILE 55 1.116 -0.202 -4.634 410 HG23 ILE 55 3HG2 ILE 55 -0.566 -0.470 -4.172 411 HD11 ILE 55 3HD1 ILE 55 -2.209 2.850 -1.499 412 HD12 ILE 55 1HD1 ILE 55 -1.948 3.011 -3.238 413 HD13 ILE 55 2HD1 ILE 55 -0.736 3.611 -2.104 414 H GLY 56 H GLY 56 2.158 3.423 -4.917 415 HA2 GLY 56 2HA GLY 56 2.567 5.835 -3.423 416 HA3 GLY 56 1HA GLY 56 2.495 5.689 -5.177 417 H THR 57 H THR 57 1.078 7.211 -2.696 418 HA THR 57 HA THR 57 -1.674 6.791 -3.001 419 HB THR 57 HB THR 57 -1.484 9.379 -2.181 420 HG1 THR 57 HG1 THR 57 0.439 9.761 -1.296 421 HG21 THR 57 3HG2 THR 57 -2.606 7.548 -0.991 422 HG22 THR 57 1HG2 THR 57 -1.590 8.490 0.097 423 HG23 THR 57 2HG2 THR 57 -1.037 6.921 -0.487 424 H ARG 58 H ARG 58 0.564 8.439 -4.991 425 HA ARG 58 HA ARG 58 -1.096 10.325 -6.226 426 HB2 ARG 58 2HB ARG 58 1.369 8.865 -7.147 427 HB3 ARG 58 1HB ARG 58 0.581 10.094 -8.117 428 HG2 ARG 58 2HG ARG 58 0.951 11.746 -6.381 429 HG3 ARG 58 1HG ARG 58 1.678 10.512 -5.351 430 HD2 ARG 58 2HD ARG 58 3.528 10.264 -6.805 431 HD3 ARG 58 1HD ARG 58 2.745 11.204 -8.077 432 HE ARG 58 HE ARG 58 2.882 12.998 -6.092 433 HH11 ARG 58 1HH1 ARG 58 5.322 10.771 -7.263 434 HH12 ARG 58 2HH1 ARG 58 6.638 11.877 -7.009 435 HH21 ARG 58 1HH2 ARG 58 4.591 14.460 -5.781 436 HH22 ARG 58 2HH2 ARG 58 6.217 13.986 -6.173 437 H TYR 59 H TYR 59 -0.648 6.874 -6.785 438 HA TYR 59 HA TYR 59 -2.711 7.030 -8.880 439 HB2 TYR 59 2HB TYR 59 -0.318 5.289 -8.498 440 HB3 TYR 59 1HB TYR 59 -1.733 4.587 -9.263 441 HD1 TYR 59 HD2 TYR 59 0.542 7.536 -9.520 442 HD2 TYR 59 HD1 TYR 59 -2.032 4.818 -11.531 443 HE1 TYR 59 HE2 TYR 59 1.206 8.516 -11.678 444 HE2 TYR 59 HE1 TYR 59 -1.381 5.782 -13.689 445 HH TYR 59 HH TYR 59 1.263 7.907 -14.055 446 H LEU 60 H LEU 60 -4.631 6.499 -8.115 447 HA LEU 60 HA LEU 60 -5.038 4.029 -6.703 448 HB2 LEU 60 2HB LEU 60 -5.445 6.683 -5.353 449 HB3 LEU 60 1HB LEU 60 -6.434 5.303 -4.925 450 HG LEU 60 HG LEU 60 -3.422 5.397 -4.710 451 HD11 LEU 60 1HD1 LEU 60 -3.785 5.531 -2.308 452 HD12 LEU 60 2HD1 LEU 60 -5.530 5.591 -2.565 453 HD13 LEU 60 3HD1 LEU 60 -4.509 6.914 -3.132 454 HD21 LEU 60 3HD2 LEU 60 -4.318 3.154 -5.104 455 HD22 LEU 60 1HD2 LEU 60 -5.421 3.354 -3.743 456 HD23 LEU 60 2HD2 LEU 60 -3.679 3.315 -3.469 457 H SER 61 H SER 61 -7.147 3.291 -6.869 458 HA SER 61 HA SER 61 -9.094 5.014 -8.203 459 HB2 SER 61 2HB SER 61 -9.369 2.116 -7.340 460 HB3 SER 61 1HB SER 61 -10.468 3.009 -8.392 461 HG SER 61 HG SER 61 -8.225 3.278 -9.586 462 H LYS 62 H LYS 62 -10.427 6.192 -6.954 463 HA LYS 62 HA LYS 62 -10.422 5.596 -4.089 464 HB2 LYS 62 2HB LYS 62 -9.889 7.917 -5.344 465 HB3 LYS 62 1HB LYS 62 -11.617 8.121 -5.069 466 HG2 LYS 62 2HG LYS 62 -11.323 7.779 -2.703 467 HG3 LYS 62 1HG LYS 62 -9.611 7.431 -2.937 468 HD2 LYS 62 2HD LYS 62 -9.762 9.659 -2.165 469 HD3 LYS 62 1HD LYS 62 -9.382 9.743 -3.885 470 HE2 LYS 62 2HE LYS 62 -11.667 10.252 -4.418 471 HE3 LYS 62 1HE LYS 62 -12.160 9.991 -2.745 472 HZ1 LYS 62 3HZ LYS 62 -10.491 12.193 -3.821 473 HZ2 LYS 62 1HZ LYS 62 -10.621 11.863 -2.161 474 HZ3 LYS 62 2HZ LYS 62 -11.994 12.302 -3.041 475 H LEU 63 H LEU 63 -12.451 6.136 -2.882 476 HA LEU 63 HA LEU 63 -14.583 4.601 -4.125 477 HB2 LEU 63 2HB LEU 63 -13.668 4.126 -1.830 478 HB3 LEU 63 1HB LEU 63 -14.370 5.638 -1.296 479 HG LEU 63 HG LEU 63 -16.619 4.774 -1.823 480 HD11 LEU 63 1HD1 LEU 63 -15.954 3.238 -3.630 481 HD12 LEU 63 2HD1 LEU 63 -16.937 2.438 -2.404 482 HD13 LEU 63 3HD1 LEU 63 -15.192 2.186 -2.437 483 HD21 LEU 63 3HD2 LEU 63 -14.959 2.995 -0.038 484 HD22 LEU 63 1HD2 LEU 63 -16.720 3.103 -0.019 485 HD23 LEU 63 2HD2 LEU 63 -15.746 4.504 0.427 486 H GLU 64 H GLU 64 -13.906 7.547 -4.649 487 HA GLU 64 HA GLU 64 -16.282 8.898 -3.700 488 HB2 GLU 64 2HB GLU 64 -14.065 10.039 -3.795 489 HB3 GLU 64 1HB GLU 64 -14.127 9.935 -5.547 490 HG2 GLU 64 2HG GLU 64 -14.789 12.127 -4.896 491 HG3 GLU 64 1HG GLU 64 -16.210 11.279 -5.504 492 H HIS 65 H HIS 65 -17.448 7.097 -4.968 493 HA HIS 65 HA HIS 65 -18.318 8.416 -7.447 494 HB2 HIS 65 2HB HIS 65 -17.158 6.227 -7.936 495 HB3 HIS 65 1HB HIS 65 -18.427 5.419 -7.019 496 HD1 HIS 65 HD1 HIS 65 -19.842 4.273 -8.713 497 HD2 HIS 65 HD2 HIS 65 -18.845 8.147 -9.862 498 HE1 HIS 65 HE1 HIS 65 -21.126 4.709 -10.832 499 HE2 HIS 65 HE2 HIS 65 -20.612 7.104 -11.435 500 H HIS 66 H HIS 66 -19.597 9.525 -5.886 501 HA HIS 66 HA HIS 66 -22.206 8.590 -5.442 502 HB2 HIS 66 2HB HIS 66 -20.325 7.564 -3.565 503 HB3 HIS 66 1HB HIS 66 -21.268 8.791 -2.732 504 HD1 HIS 66 HD1 HIS 66 -23.902 8.367 -2.630 505 HD2 HIS 66 HD2 HIS 66 -21.586 5.178 -3.955 506 HE1 HIS 66 HE1 HIS 66 -25.367 6.334 -2.439 507 HE2 HIS 66 HE2 HIS 66 -23.852 4.395 -2.993 508 H HIS 67 H HIS 67 -19.587 10.693 -4.971 509 HA HIS 67 HA HIS 67 -19.278 12.813 -4.320 510 HB2 HIS 67 2HB HIS 67 -22.207 12.994 -5.024 511 HB3 HIS 67 1HB HIS 67 -21.255 14.391 -4.526 512 HD1 HIS 67 HD1 HIS 67 -22.321 12.696 -7.484 513 HD2 HIS 67 HD2 HIS 67 -18.841 14.647 -6.308 514 HE1 HIS 67 HE1 HIS 67 -21.079 13.213 -9.611 515 HE2 HIS 67 HE2 HIS 67 -18.891 14.210 -8.860 516 H HIS 68 H HIS 68 -18.718 12.117 -2.269 517 HA HIS 68 HA HIS 68 -20.478 11.769 -0.118 518 HB2 HIS 68 2HB HIS 68 -17.578 12.561 -0.266 519 HB3 HIS 68 1HB HIS 68 -18.413 12.411 1.275 520 HD1 HIS 68 HD1 HIS 68 -17.506 10.283 -1.750 521 HD2 HIS 68 HD2 HIS 68 -18.501 9.881 2.278 522 HE1 HIS 68 HE1 HIS 68 -17.155 7.851 -1.195 523 HE2 HIS 68 HE2 HIS 68 -17.516 7.696 1.295 524 H HIS 69 H HIS 69 -21.685 13.153 0.970 525 HA HIS 69 HA HIS 69 -21.574 15.959 0.361 526 HB2 HIS 69 2HB HIS 69 -23.327 14.302 2.167 527 HB3 HIS 69 1HB HIS 69 -23.412 16.061 2.149 528 HD1 HIS 69 HD1 HIS 69 -24.579 17.170 0.193 529 HD2 HIS 69 HD2 HIS 69 -24.273 13.039 -0.197 530 HE1 HIS 69 HE1 HIS 69 -26.078 16.555 -1.731 531 HE2 HIS 69 HE2 HIS 69 -26.037 14.039 -1.808 532 H HIS 70 H HIS 70 -20.303 17.353 1.314 533 HA HIS 70 HA HIS 70 -19.811 17.385 4.120 534 HB2 HIS 70 2HB HIS 70 -18.278 15.541 3.462 535 HB3 HIS 70 1HB HIS 70 -17.476 16.631 2.337 536 HD1 HIS 70 HD1 HIS 70 -15.339 17.432 3.258 537 HD2 HIS 70 HD2 HIS 70 -18.191 16.864 6.232 538 HE1 HIS 70 HE1 HIS 70 -14.209 18.070 5.414 539 HE2 HIS 70 HE2 HIS 70 -15.989 17.835 7.182 Start of MODEL 3 1 H1 MET 1 1H MET 1 8.042 -0.919 -26.906 2 H2 MET 1 2H MET 1 8.555 0.359 -25.920 3 H3 MET 1 3H MET 1 7.491 0.656 -27.207 4 HA MET 1 HA MET 1 6.406 0.665 -25.024 5 HB2 MET 1 2HB MET 1 4.532 -0.815 -25.637 6 HB3 MET 1 1HB MET 1 5.068 0.160 -26.995 7 HG2 MET 1 2HG MET 1 5.995 -2.663 -26.595 8 HG3 MET 1 1HG MET 1 4.497 -2.274 -27.437 9 HE1 MET 1 3HE MET 1 6.897 -3.285 -30.359 10 HE2 MET 1 1HE MET 1 5.337 -3.576 -29.591 11 HE3 MET 1 2HE MET 1 6.828 -3.991 -28.745 12 H ILE 2 H ILE 2 5.024 -1.495 -24.006 13 HA ILE 2 HA ILE 2 5.127 -3.137 -22.446 14 HB ILE 2 HB ILE 2 7.889 -3.818 -23.486 15 HG12 ILE 2 2HG1 ILE 2 6.256 -3.861 -25.318 16 HG13 ILE 2 1HG1 ILE 2 6.761 -5.496 -24.898 17 HG21 ILE 2 1HG2 ILE 2 5.859 -5.461 -21.963 18 HG22 ILE 2 2HG2 ILE 2 7.366 -4.810 -21.317 19 HG23 ILE 2 3HG2 ILE 2 7.409 -6.046 -22.572 20 HD11 ILE 2 3HD1 ILE 2 4.686 -5.799 -23.629 21 HD12 ILE 2 1HD1 ILE 2 4.371 -5.403 -25.319 22 HD13 ILE 2 2HD1 ILE 2 4.185 -4.168 -24.074 23 H GLY 3 H GLY 3 5.491 -0.724 -21.630 24 HA2 GLY 3 2HA GLY 3 6.972 -1.088 -19.183 25 HA3 GLY 3 1HA GLY 3 7.644 0.174 -20.222 26 H ASP 4 H ASP 4 4.326 -0.844 -19.798 27 HA ASP 4 HA ASP 4 3.603 1.982 -19.447 28 HB2 ASP 4 2HB ASP 4 2.048 -0.282 -20.714 29 HB3 ASP 4 1HB ASP 4 1.494 1.383 -20.575 30 H TYR 5 H TYR 5 4.206 0.731 -17.126 31 HA TYR 5 HA TYR 5 1.876 -0.440 -15.945 32 HB2 TYR 5 2HB TYR 5 3.108 -0.350 -13.836 33 HB3 TYR 5 1HB TYR 5 4.135 -0.987 -15.113 34 HD1 TYR 5 HD1 TYR 5 5.824 0.635 -16.186 35 HD2 TYR 5 HD2 TYR 5 3.800 1.448 -12.535 36 HE1 TYR 5 HE1 TYR 5 7.536 2.305 -15.613 37 HE2 TYR 5 HE2 TYR 5 5.501 3.122 -11.956 38 HH TYR 5 HH TYR 5 7.637 4.412 -14.124 39 H TYR 6 H TYR 6 0.102 0.718 -15.666 40 HA TYR 6 HA TYR 6 0.397 3.543 -14.952 41 HB2 TYR 6 2HB TYR 6 -1.708 2.062 -16.477 42 HB3 TYR 6 1HB TYR 6 -2.131 3.555 -15.643 43 HD1 TYR 6 HD1 TYR 6 0.033 2.115 -18.280 44 HD2 TYR 6 HD2 TYR 6 -1.473 5.668 -16.491 45 HE1 TYR 6 HE1 TYR 6 0.929 3.435 -20.155 46 HE2 TYR 6 HE2 TYR 6 -0.581 6.995 -18.355 47 HH TYR 6 HH TYR 6 0.583 5.568 -21.245 48 H ILE 7 H ILE 7 0.662 3.343 -12.781 49 HA ILE 7 HA ILE 7 -1.262 2.054 -11.093 50 HB ILE 7 HB ILE 7 1.035 2.407 -10.320 51 HG12 ILE 7 2HG1 ILE 7 -0.956 4.025 -8.712 52 HG13 ILE 7 1HG1 ILE 7 -0.749 2.279 -8.637 53 HG21 ILE 7 1HG2 ILE 7 0.409 5.354 -10.425 54 HG22 ILE 7 2HG2 ILE 7 1.517 4.485 -11.487 55 HG23 ILE 7 3HG2 ILE 7 1.877 4.632 -9.767 56 HD11 ILE 7 3HD1 ILE 7 0.313 3.397 -6.758 57 HD12 ILE 7 1HD1 ILE 7 1.318 4.325 -7.870 58 HD13 ILE 7 2HD1 ILE 7 1.503 2.575 -7.768 59 H ASN 8 H ASN 8 -1.040 4.972 -12.790 60 HA ASN 8 HA ASN 8 -3.043 6.381 -11.229 61 HB2 ASN 8 2HB ASN 8 -2.709 8.171 -12.963 62 HB3 ASN 8 1HB ASN 8 -1.257 7.753 -12.062 63 HD21 ASN 8 1HD2 ASN 8 -1.633 8.994 -14.707 64 HD22 ASN 8 2HD2 ASN 8 -0.725 8.009 -15.810 65 H ALA 9 H ALA 9 -3.561 3.855 -12.712 66 HA ALA 9 HA ALA 9 -5.653 4.779 -14.560 67 HB1 ALA 9 3HB ALA 9 -4.009 3.231 -15.526 68 HB2 ALA 9 1HB ALA 9 -5.626 2.526 -15.488 69 HB3 ALA 9 2HB ALA 9 -4.422 2.036 -14.296 70 H SER 10 H SER 10 -7.207 2.427 -14.496 71 HA SER 10 HA SER 10 -8.325 2.603 -11.776 72 HB2 SER 10 2HB SER 10 -9.716 1.795 -14.340 73 HB3 SER 10 1HB SER 10 -10.474 2.039 -12.768 74 HG SER 10 HG SER 10 -9.027 4.213 -13.486 75 H ALA 11 H ALA 11 -6.148 0.790 -12.646 76 HA ALA 11 HA ALA 11 -7.414 -1.713 -11.844 77 HB1 ALA 11 3HB ALA 11 -7.407 -1.771 -14.286 78 HB2 ALA 11 1HB ALA 11 -6.341 -3.000 -13.606 79 HB3 ALA 11 2HB ALA 11 -5.663 -1.522 -14.289 80 H LEU 12 H LEU 12 -4.204 -0.629 -13.006 81 HA LEU 12 HA LEU 12 -2.902 -2.375 -11.114 82 HB2 LEU 12 2HB LEU 12 -1.805 -0.420 -13.136 83 HB3 LEU 12 1HB LEU 12 -0.798 -1.414 -12.105 84 HG LEU 12 HG LEU 12 -2.012 -3.422 -13.165 85 HD11 LEU 12 1HD1 LEU 12 -3.831 -2.206 -14.214 86 HD12 LEU 12 2HD1 LEU 12 -2.857 -3.029 -15.432 87 HD13 LEU 12 3HD1 LEU 12 -2.680 -1.291 -15.189 88 HD21 LEU 12 3HD2 LEU 12 -0.171 -1.705 -14.827 89 HD22 LEU 12 1HD2 LEU 12 -0.455 -3.433 -15.046 90 HD23 LEU 12 2HD2 LEU 12 0.322 -2.846 -13.575 91 H ASN 13 H ASN 13 -4.358 -0.587 -9.667 92 HA ASN 13 HA ASN 13 -2.858 1.753 -9.030 93 HB2 ASN 13 2HB ASN 13 -5.183 0.507 -7.564 94 HB3 ASN 13 1HB ASN 13 -4.522 2.106 -7.244 95 HD21 ASN 13 1HD2 ASN 13 -4.715 3.713 -8.860 96 HD22 ASN 13 2HD2 ASN 13 -5.975 3.628 -10.047 97 H VAL 14 H VAL 14 -3.053 -1.457 -7.741 98 HA VAL 14 HA VAL 14 -1.533 -0.681 -5.384 99 HB VAL 14 HB VAL 14 -1.805 -3.233 -4.889 100 HG11 VAL 14 1HG1 VAL 14 -2.869 -1.478 -3.591 101 HG12 VAL 14 2HG1 VAL 14 -4.020 -2.784 -3.884 102 HG13 VAL 14 3HG1 VAL 14 -4.119 -1.294 -4.823 103 HG21 VAL 14 3HG2 VAL 14 -4.023 -2.790 -6.883 104 HG22 VAL 14 1HG2 VAL 14 -3.813 -4.210 -5.856 105 HG23 VAL 14 2HG2 VAL 14 -2.624 -3.843 -7.108 106 H ARG 15 H ARG 15 -0.249 -0.589 -7.995 107 HA ARG 15 HA ARG 15 1.340 -2.981 -8.250 108 HB2 ARG 15 2HB ARG 15 0.522 -1.391 -10.126 109 HB3 ARG 15 1HB ARG 15 1.909 -0.406 -9.684 110 HG2 ARG 15 2HG ARG 15 2.380 -1.894 -11.577 111 HG3 ARG 15 1HG ARG 15 3.413 -2.238 -10.186 112 HD2 ARG 15 2HD ARG 15 2.001 -4.109 -9.565 113 HD3 ARG 15 1HD ARG 15 0.890 -3.734 -10.880 114 HE ARG 15 HE ARG 15 3.149 -4.136 -12.237 115 HH11 ARG 15 1HH1 ARG 15 1.812 -5.941 -9.557 116 HH12 ARG 15 2HH1 ARG 15 2.338 -7.485 -10.152 117 HH21 ARG 15 1HH2 ARG 15 3.867 -6.189 -13.027 118 HH22 ARG 15 2HH2 ARG 15 3.512 -7.618 -12.102 119 H SER 16 H SER 16 1.728 -2.024 -5.748 120 HA SER 16 HA SER 16 3.373 -1.762 -4.226 121 HB2 SER 16 2HB SER 16 4.566 -3.362 -5.711 122 HB3 SER 16 1HB SER 16 5.278 -1.993 -6.559 123 HG SER 16 HG SER 16 5.982 -1.365 -4.311 124 H GLY 17 H GLY 17 2.583 0.567 -6.304 125 HA2 GLY 17 2HA GLY 17 2.867 2.866 -6.143 126 HA3 GLY 17 1HA GLY 17 4.045 2.593 -4.866 127 H GLU 18 H GLU 18 3.551 2.579 -8.339 128 HA GLU 18 HA GLU 18 4.908 3.011 -10.101 129 HB2 GLU 18 2HB GLU 18 5.804 4.850 -8.603 130 HB3 GLU 18 1HB GLU 18 7.081 3.741 -8.126 131 HG2 GLU 18 2HG GLU 18 7.880 3.637 -10.407 132 HG3 GLU 18 1HG GLU 18 6.556 4.672 -10.939 133 H GLY 19 H GLY 19 7.279 2.296 -10.929 134 HA2 GLY 19 2HA GLY 19 7.173 -0.567 -10.643 135 HA3 GLY 19 1HA GLY 19 8.210 0.337 -11.735 136 H THR 20 H THR 20 7.832 0.052 -8.198 137 HA THR 20 HA THR 20 10.733 -0.042 -7.977 138 HB THR 20 HB THR 20 9.465 1.463 -6.465 139 HG1 THR 20 HG1 THR 20 11.096 1.150 -5.190 140 HG21 THR 20 3HG2 THR 20 8.419 -1.098 -5.260 141 HG22 THR 20 1HG2 THR 20 7.470 0.112 -6.122 142 HG23 THR 20 2HG2 THR 20 8.222 0.516 -4.579 143 H ASN 21 H ASN 21 7.901 -2.012 -7.459 144 HA ASN 21 HA ASN 21 9.508 -4.403 -7.743 145 HB2 ASN 21 2HB ASN 21 9.402 -3.987 -5.259 146 HB3 ASN 21 1HB ASN 21 7.649 -4.116 -5.366 147 HD21 ASN 21 1HD2 ASN 21 10.647 -5.815 -5.362 148 HD22 ASN 21 2HD2 ASN 21 9.984 -7.415 -5.331 149 H TYR 22 H TYR 22 8.221 -6.155 -8.561 150 HA TYR 22 HA TYR 22 5.559 -5.220 -9.411 151 HB2 TYR 22 2HB TYR 22 7.020 -7.119 -11.164 152 HB3 TYR 22 1HB TYR 22 5.918 -5.820 -11.585 153 HD1 TYR 22 HD2 TYR 22 7.100 -3.368 -10.707 154 HD2 TYR 22 HD1 TYR 22 9.065 -6.882 -12.116 155 HE1 TYR 22 HE2 TYR 22 9.024 -2.015 -11.406 156 HE2 TYR 22 HE1 TYR 22 10.993 -5.526 -12.800 157 HH TYR 22 HH TYR 22 11.432 -3.150 -13.444 158 H ARG 23 H ARG 23 6.803 -7.338 -7.345 159 HA ARG 23 HA ARG 23 5.073 -9.535 -8.272 160 HB2 ARG 23 2HB ARG 23 7.595 -9.950 -8.195 161 HB3 ARG 23 1HB ARG 23 7.419 -9.954 -6.443 162 HG2 ARG 23 2HG ARG 23 5.784 -11.769 -6.619 163 HG3 ARG 23 1HG ARG 23 5.995 -11.778 -8.370 164 HD2 ARG 23 2HD ARG 23 8.430 -12.245 -7.975 165 HD3 ARG 23 1HD ARG 23 8.041 -12.457 -6.266 166 HE ARG 23 HE ARG 23 7.099 -14.167 -8.474 167 HH11 ARG 23 1HH1 ARG 23 7.568 -13.593 -5.048 168 HH12 ARG 23 2HH1 ARG 23 7.253 -15.250 -4.603 169 HH21 ARG 23 1HH2 ARG 23 6.635 -16.325 -7.891 170 HH22 ARG 23 2HH2 ARG 23 6.678 -16.786 -6.211 171 H ILE 24 H ILE 24 6.005 -7.591 -5.497 172 HA ILE 24 HA ILE 24 4.772 -9.136 -3.498 173 HB ILE 24 HB ILE 24 5.159 -6.136 -3.534 174 HG12 ILE 24 2HG1 ILE 24 6.884 -8.326 -2.353 175 HG13 ILE 24 1HG1 ILE 24 7.249 -7.423 -3.819 176 HG21 ILE 24 1HG2 ILE 24 3.524 -6.794 -1.865 177 HG22 ILE 24 2HG2 ILE 24 5.029 -6.303 -1.085 178 HG23 ILE 24 3HG2 ILE 24 4.629 -8.015 -1.234 179 HD11 ILE 24 3HD1 ILE 24 7.440 -5.375 -2.540 180 HD12 ILE 24 1HD1 ILE 24 8.514 -6.613 -1.890 181 HD13 ILE 24 2HD1 ILE 24 7.003 -6.234 -1.063 182 H ILE 25 H ILE 25 3.504 -6.237 -5.156 183 HA ILE 25 HA ILE 25 0.792 -7.289 -4.713 184 HB ILE 25 HB ILE 25 1.379 -4.339 -4.604 185 HG12 ILE 25 2HG1 ILE 25 1.083 -6.172 -2.226 186 HG13 ILE 25 1HG1 ILE 25 2.606 -5.471 -2.760 187 HG21 ILE 25 1HG2 ILE 25 -0.778 -4.211 -3.523 188 HG22 ILE 25 2HG2 ILE 25 -0.949 -5.960 -3.673 189 HG23 ILE 25 3HG2 ILE 25 -0.883 -4.953 -5.120 190 HD11 ILE 25 3HD1 ILE 25 0.204 -3.926 -1.814 191 HD12 ILE 25 1HD1 ILE 25 1.749 -3.240 -2.315 192 HD13 ILE 25 2HD1 ILE 25 1.660 -4.254 -0.875 193 H GLY 26 H GLY 26 -0.794 -6.340 -6.347 194 HA2 GLY 26 2HA GLY 26 0.650 -5.831 -8.867 195 HA3 GLY 26 1HA GLY 26 -0.540 -7.110 -8.750 196 H ALA 27 H ALA 27 -2.598 -6.683 -9.132 197 HA ALA 27 HA ALA 27 -3.581 -3.923 -9.077 198 HB1 ALA 27 3HB ALA 27 -2.674 -4.213 -11.339 199 HB2 ALA 27 1HB ALA 27 -4.431 -4.063 -11.358 200 HB3 ALA 27 2HB ALA 27 -3.679 -5.645 -11.562 201 H LEU 28 H LEU 28 -5.001 -4.553 -7.461 202 HA LEU 28 HA LEU 28 -7.327 -6.029 -8.328 203 HB2 LEU 28 2HB LEU 28 -5.541 -7.641 -7.310 204 HB3 LEU 28 1HB LEU 28 -6.027 -6.946 -5.778 205 HG LEU 28 HG LEU 28 -7.110 -9.136 -6.363 206 HD11 LEU 28 1HD1 LEU 28 -8.985 -6.812 -5.973 207 HD12 LEU 28 2HD1 LEU 28 -8.088 -7.643 -4.701 208 HD13 LEU 28 3HD1 LEU 28 -9.331 -8.503 -5.611 209 HD21 LEU 28 3HD2 LEU 28 -7.422 -8.781 -8.742 210 HD22 LEU 28 1HD2 LEU 28 -8.538 -7.455 -8.416 211 HD23 LEU 28 2HD2 LEU 28 -8.969 -9.103 -7.957 212 HA PRO 29 HA PRO 29 -8.227 -2.484 -5.533 213 HB2 PRO 29 2HB PRO 29 -10.233 -1.824 -7.556 214 HB3 PRO 29 1HB PRO 29 -8.893 -0.845 -6.952 215 HG2 PRO 29 2HG PRO 29 -8.899 -1.836 -9.452 216 HG3 PRO 29 1HG PRO 29 -7.401 -1.681 -8.508 217 HD2 PRO 29 2HD PRO 29 -9.117 -4.118 -8.931 218 HD3 PRO 29 1HD PRO 29 -7.350 -3.954 -9.071 219 H GLN 30 H GLN 30 -9.077 -4.074 -4.112 220 HA GLN 30 HA GLN 30 -11.980 -4.486 -4.414 221 HB2 GLN 30 2HB GLN 30 -10.521 -6.555 -4.411 222 HB3 GLN 30 1HB GLN 30 -10.110 -6.171 -2.748 223 HG2 GLN 30 2HG GLN 30 -12.453 -6.356 -2.113 224 HG3 GLN 30 1HG GLN 30 -12.877 -6.721 -3.785 225 HE21 GLN 30 1HE2 GLN 30 -12.318 -8.718 -4.653 226 HE22 GLN 30 2HE2 GLN 30 -11.853 -10.056 -3.664 227 H GLY 31 H GLY 31 -9.398 -4.117 -1.986 228 HA2 GLY 31 2HA GLY 31 -9.210 -2.559 -0.308 229 HA3 GLY 31 1HA GLY 31 -10.692 -1.824 -0.889 230 H GLN 32 H GLN 32 -10.934 -5.176 -0.114 231 HA GLN 32 HA GLN 32 -12.665 -4.522 2.101 232 HB2 GLN 32 2HB GLN 32 -11.831 -7.250 1.092 233 HB3 GLN 32 1HB GLN 32 -13.123 -6.922 2.235 234 HG2 GLN 32 2HG GLN 32 -14.142 -5.503 0.356 235 HG3 GLN 32 1HG GLN 32 -13.020 -6.364 -0.698 236 HE21 GLN 32 1HE2 GLN 32 -13.233 -8.641 -0.904 237 HE22 GLN 32 2HE2 GLN 32 -14.738 -9.422 -0.559 238 H LYS 33 H LYS 33 -9.894 -6.755 1.792 239 HA LYS 33 HA LYS 33 -9.269 -6.212 4.610 240 HB2 LYS 33 2HB LYS 33 -8.617 -8.479 2.761 241 HB3 LYS 33 1HB LYS 33 -7.585 -8.172 4.150 242 HG2 LYS 33 2HG LYS 33 -9.215 -9.853 4.704 243 HG3 LYS 33 1HG LYS 33 -9.547 -8.386 5.625 244 HD2 LYS 33 2HD LYS 33 -11.234 -7.790 3.846 245 HD3 LYS 33 1HD LYS 33 -11.009 -9.418 3.201 246 HE2 LYS 33 2HE LYS 33 -12.937 -9.410 4.636 247 HE3 LYS 33 1HE LYS 33 -11.652 -10.328 5.414 248 HZ1 LYS 33 3HZ LYS 33 -12.783 -8.846 6.963 249 HZ2 LYS 33 1HZ LYS 33 -12.349 -7.503 6.024 250 HZ3 LYS 33 2HZ LYS 33 -11.147 -8.418 6.797 251 H VAL 34 H VAL 34 -8.542 -5.060 1.677 252 HA VAL 34 HA VAL 34 -5.743 -4.478 2.247 253 HB VAL 34 HB VAL 34 -7.411 -3.569 -0.107 254 HG11 VAL 34 1HG1 VAL 34 -5.231 -3.140 -1.166 255 HG12 VAL 34 2HG1 VAL 34 -4.428 -3.574 0.344 256 HG13 VAL 34 3HG1 VAL 34 -5.479 -2.159 0.277 257 HG21 VAL 34 3HG2 VAL 34 -6.273 -5.338 -1.378 258 HG22 VAL 34 1HG2 VAL 34 -7.272 -5.994 -0.083 259 HG23 VAL 34 2HG2 VAL 34 -5.521 -5.912 0.111 260 H GLN 35 H GLN 35 -5.813 -3.125 3.980 261 HA GLN 35 HA GLN 35 -7.466 -0.700 3.730 262 HB2 GLN 35 2HB GLN 35 -7.462 -0.594 6.182 263 HB3 GLN 35 1HB GLN 35 -8.136 -2.113 5.607 264 HG2 GLN 35 2HG GLN 35 -6.025 -3.236 6.093 265 HG3 GLN 35 1HG GLN 35 -5.344 -1.712 6.658 266 HE21 GLN 35 1HE2 GLN 35 -4.960 -2.458 8.714 267 HE22 GLN 35 2HE2 GLN 35 -6.227 -2.780 9.847 268 H VAL 36 H VAL 36 -6.559 1.268 4.006 269 HA VAL 36 HA VAL 36 -3.672 1.438 4.027 270 HB VAL 36 HB VAL 36 -4.064 3.909 3.810 271 HG11 VAL 36 1HG1 VAL 36 -3.715 2.572 1.833 272 HG12 VAL 36 2HG1 VAL 36 -4.951 3.787 1.499 273 HG13 VAL 36 3HG1 VAL 36 -5.417 2.113 1.802 274 HG21 VAL 36 3HG2 VAL 36 -6.967 3.091 3.638 275 HG22 VAL 36 1HG2 VAL 36 -6.328 4.695 3.278 276 HG23 VAL 36 2HG2 VAL 36 -6.233 4.056 4.919 277 H ILE 37 H ILE 37 -2.473 1.786 5.790 278 HA ILE 37 HA ILE 37 -3.849 2.309 8.313 279 HB ILE 37 HB ILE 37 -0.949 1.596 7.828 280 HG12 ILE 37 2HG1 ILE 37 -2.721 -0.361 9.126 281 HG13 ILE 37 1HG1 ILE 37 -3.112 -0.041 7.440 282 HG21 ILE 37 1HG2 ILE 37 -1.277 2.779 9.924 283 HG22 ILE 37 2HG2 ILE 37 -0.896 1.084 10.220 284 HG23 ILE 37 3HG2 ILE 37 -2.558 1.654 10.375 285 HD11 ILE 37 3HD1 ILE 37 -1.611 -1.937 7.668 286 HD12 ILE 37 1HD1 ILE 37 -0.427 -0.911 8.478 287 HD13 ILE 37 2HD1 ILE 37 -0.843 -0.614 6.790 288 H SER 38 H SER 38 -1.113 3.537 6.438 289 HA SER 38 HA SER 38 -1.712 6.253 7.077 290 HB2 SER 38 2HB SER 38 -0.535 5.505 9.166 291 HB3 SER 38 1HB SER 38 0.876 5.115 8.184 292 HG SER 38 HG SER 38 0.129 7.473 9.202 293 H GLU 39 H GLU 39 0.058 7.685 6.109 294 HA GLU 39 HA GLU 39 1.457 6.329 3.941 295 HB2 GLU 39 2HB GLU 39 0.600 8.047 2.310 296 HB3 GLU 39 1HB GLU 39 -0.566 6.851 2.835 297 HG2 GLU 39 2HG GLU 39 -1.759 8.833 2.835 298 HG3 GLU 39 1HG GLU 39 -1.319 8.617 4.527 299 H ASN 40 H ASN 40 3.136 7.545 2.974 300 HA ASN 40 HA ASN 40 3.944 10.049 4.185 301 HB2 ASN 40 2HB ASN 40 4.655 8.184 5.782 302 HB3 ASN 40 1HB ASN 40 5.748 7.643 4.516 303 HD21 ASN 40 1HD2 ASN 40 6.389 8.544 7.164 304 HD22 ASN 40 2HD2 ASN 40 7.430 9.921 6.983 305 H SER 41 H SER 41 4.962 11.197 2.678 306 HA SER 41 HA SER 41 6.285 11.802 0.942 307 HB2 SER 41 2HB SER 41 7.946 10.231 1.844 308 HB3 SER 41 1HB SER 41 7.195 8.911 0.946 309 HG SER 41 HG SER 41 7.634 10.619 -0.891 310 H GLY 42 H GLY 42 3.691 9.825 0.699 311 HA2 GLY 42 2HA GLY 42 2.335 10.178 -1.335 312 HA3 GLY 42 1HA GLY 42 3.799 9.849 -2.253 313 H TRP 43 H TRP 43 4.483 7.721 -0.227 314 HA TRP 43 HA TRP 43 2.820 5.608 -1.382 315 HB2 TRP 43 2HB TRP 43 5.431 5.551 0.137 316 HB3 TRP 43 1HB TRP 43 4.516 4.094 -0.231 317 HD1 TRP 43 HD1 TRP 43 4.149 6.251 -3.159 318 HE1 TRP 43 HE1 TRP 43 5.844 5.612 -4.993 319 HE3 TRP 43 HE3 TRP 43 7.257 3.283 -0.394 320 HZ2 TRP 43 HZ2 TRP 43 8.180 4.043 -5.235 321 HZ3 TRP 43 HZ3 TRP 43 9.197 2.245 -1.502 322 HH2 TRP 43 HH2 TRP 43 9.645 2.620 -3.873 323 H SER 44 H SER 44 1.791 4.052 -0.050 324 HA SER 44 HA SER 44 1.261 5.048 2.669 325 HB2 SER 44 2HB SER 44 -0.654 5.257 1.067 326 HB3 SER 44 1HB SER 44 -0.645 3.503 0.901 327 HG SER 44 HG SER 44 -0.725 4.420 3.508 328 H LYS 45 H LYS 45 1.364 3.680 4.328 329 HA LYS 45 HA LYS 45 2.342 0.991 3.969 330 HB2 LYS 45 2HB LYS 45 1.752 2.813 6.274 331 HB3 LYS 45 1HB LYS 45 1.935 1.095 6.557 332 HG2 LYS 45 2HG LYS 45 4.025 2.646 5.090 333 HG3 LYS 45 1HG LYS 45 3.968 2.618 6.849 334 HD2 LYS 45 2HD LYS 45 4.203 0.213 5.050 335 HD3 LYS 45 1HD LYS 45 5.511 0.933 5.989 336 HE2 LYS 45 2HE LYS 45 3.762 0.550 7.960 337 HE3 LYS 45 1HE LYS 45 3.220 -0.725 6.871 338 HZ1 LYS 45 3HZ LYS 45 5.914 -0.383 8.052 339 HZ2 LYS 45 1HZ LYS 45 5.587 -1.484 6.806 340 HZ3 LYS 45 2HZ LYS 45 4.824 -1.659 8.311 341 H ILE 46 H ILE 46 0.886 -0.522 3.390 342 HA ILE 46 HA ILE 46 -1.774 -0.397 4.634 343 HB ILE 46 HB ILE 46 -2.937 -0.882 2.646 344 HG12 ILE 46 2HG1 ILE 46 -1.278 -2.514 1.727 345 HG13 ILE 46 1HG1 ILE 46 -1.964 -1.439 0.517 346 HG21 ILE 46 1HG2 ILE 46 -0.836 1.173 2.001 347 HG22 ILE 46 2HG2 ILE 46 -2.368 1.449 2.831 348 HG23 ILE 46 3HG2 ILE 46 -2.356 0.968 1.134 349 HD11 ILE 46 3HD1 ILE 46 0.758 -1.177 1.778 350 HD12 ILE 46 1HD1 ILE 46 0.079 -0.101 0.557 351 HD13 ILE 46 2HD1 ILE 46 0.411 -1.786 0.160 352 H ASN 47 H ASN 47 -2.956 -2.408 4.570 353 HA ASN 47 HA ASN 47 -1.194 -4.754 4.636 354 HB2 ASN 47 2HB ASN 47 -2.496 -4.433 6.666 355 HB3 ASN 47 1HB ASN 47 -3.986 -4.315 5.737 356 HD21 ASN 47 1HD2 ASN 47 -4.983 -6.172 5.019 357 HD22 ASN 47 2HD2 ASN 47 -4.478 -7.750 5.521 358 H TYR 48 H TYR 48 -1.128 -5.860 2.797 359 HA TYR 48 HA TYR 48 -3.466 -5.743 1.018 360 HB2 TYR 48 2HB TYR 48 -1.384 -4.883 0.047 361 HB3 TYR 48 1HB TYR 48 -0.581 -6.413 0.386 362 HD1 TYR 48 HD2 TYR 48 -3.321 -4.877 -1.588 363 HD2 TYR 48 HD1 TYR 48 -0.678 -8.181 -1.169 364 HE1 TYR 48 HE2 TYR 48 -4.028 -5.716 -3.786 365 HE2 TYR 48 HE1 TYR 48 -1.378 -9.028 -3.366 366 HH TYR 48 HH TYR 48 -3.283 -8.857 -4.892 367 H ASN 49 H ASN 49 -4.712 -7.394 1.730 368 HA ASN 49 HA ASN 49 -5.470 -9.528 1.945 369 HB2 ASN 49 2HB ASN 49 -4.567 -9.472 -0.462 370 HB3 ASN 49 1HB ASN 49 -3.188 -10.373 0.162 371 HD21 ASN 49 1HD2 ASN 49 -3.618 -12.212 -1.011 372 HD22 ASN 49 2HD2 ASN 49 -4.979 -13.237 -0.680 373 H GLY 50 H GLY 50 -3.503 -8.586 3.870 374 HA2 GLY 50 2HA GLY 50 -2.983 -9.738 5.870 375 HA3 GLY 50 1HA GLY 50 -2.880 -11.229 4.955 376 H GLN 51 H GLN 51 -1.156 -8.952 3.246 377 HA GLN 51 HA GLN 51 1.287 -9.433 4.819 378 HB2 GLN 51 2HB GLN 51 2.580 -9.507 2.734 379 HB3 GLN 51 1HB GLN 51 1.375 -10.783 2.781 380 HG2 GLN 51 2HG GLN 51 -0.052 -9.551 1.289 381 HG3 GLN 51 1HG GLN 51 1.054 -8.180 1.316 382 HE21 GLN 51 1HE2 GLN 51 1.287 -8.247 -0.896 383 HE22 GLN 51 2HE2 GLN 51 2.218 -9.461 -1.699 384 H THR 52 H THR 52 2.936 -7.779 4.616 385 HA THR 52 HA THR 52 1.701 -5.142 4.550 386 HB THR 52 HB THR 52 4.550 -5.765 5.313 387 HG1 THR 52 HG1 THR 52 2.140 -6.178 6.751 388 HG21 THR 52 3HG2 THR 52 4.291 -3.779 6.728 389 HG22 THR 52 1HG2 THR 52 2.624 -3.602 6.177 390 HG23 THR 52 2HG2 THR 52 3.956 -3.402 5.038 391 H GLY 53 H GLY 53 2.311 -3.486 3.160 392 HA2 GLY 53 2HA GLY 53 4.625 -3.740 1.465 393 HA3 GLY 53 1HA GLY 53 3.110 -3.961 0.602 394 H TYR 54 H TYR 54 4.073 -2.036 -0.525 395 HA TYR 54 HA TYR 54 3.033 0.412 0.730 396 HB2 TYR 54 2HB TYR 54 5.552 0.150 -0.934 397 HB3 TYR 54 1HB TYR 54 4.824 1.682 -0.473 398 HD1 TYR 54 HD2 TYR 54 6.719 -1.231 0.709 399 HD2 TYR 54 HD1 TYR 54 5.019 2.519 1.790 400 HE1 TYR 54 HE2 TYR 54 8.038 -1.233 2.783 401 HE2 TYR 54 HE1 TYR 54 6.339 2.526 3.863 402 HH TYR 54 HH TYR 54 8.921 0.371 4.410 403 H ILE 55 H ILE 55 1.952 1.806 -0.661 404 HA ILE 55 HA ILE 55 1.916 1.207 -3.514 405 HB ILE 55 HB ILE 55 -0.601 1.509 -3.559 406 HG12 ILE 55 2HG1 ILE 55 -1.672 0.545 -1.388 407 HG13 ILE 55 1HG1 ILE 55 -0.201 1.114 -0.611 408 HG21 ILE 55 1HG2 ILE 55 -1.054 -0.859 -3.095 409 HG22 ILE 55 2HG2 ILE 55 0.521 -0.989 -2.314 410 HG23 ILE 55 3HG2 ILE 55 0.418 -0.619 -4.036 411 HD11 ILE 55 3HD1 ILE 55 -2.151 2.807 -2.152 412 HD12 ILE 55 1HD1 ILE 55 -0.679 3.382 -1.369 413 HD13 ILE 55 2HD1 ILE 55 -1.996 2.725 -0.397 414 H GLY 56 H GLY 56 0.545 2.961 -4.676 415 HA2 GLY 56 2HA GLY 56 1.489 5.523 -3.668 416 HA3 GLY 56 1HA GLY 56 0.793 5.218 -5.255 417 H THR 57 H THR 57 0.250 6.555 -2.236 418 HA THR 57 HA THR 57 -2.457 5.979 -1.760 419 HB THR 57 HB THR 57 -1.234 8.600 -0.977 420 HG1 THR 57 HG1 THR 57 -0.271 7.335 0.805 421 HG21 THR 57 3HG2 THR 57 -2.965 6.599 0.485 422 HG22 THR 57 1HG2 THR 57 -3.522 8.098 -0.257 423 HG23 THR 57 2HG2 THR 57 -2.423 8.151 1.122 424 H ARG 58 H ARG 58 -0.960 8.126 -4.011 425 HA ARG 58 HA ARG 58 -2.985 10.087 -4.162 426 HB2 ARG 58 2HB ARG 58 -0.792 9.290 -6.068 427 HB3 ARG 58 1HB ARG 58 -1.849 10.664 -6.328 428 HG2 ARG 58 2HG ARG 58 -1.069 11.695 -4.279 429 HG3 ARG 58 1HG ARG 58 -0.042 10.297 -3.955 430 HD2 ARG 58 2HD ARG 58 1.207 10.745 -6.010 431 HD3 ARG 58 1HD ARG 58 0.181 12.143 -6.330 432 HE ARG 58 HE ARG 58 1.109 12.806 -3.952 433 HH11 ARG 58 1HH1 ARG 58 2.821 11.380 -6.655 434 HH12 ARG 58 2HH1 ARG 58 4.338 12.107 -6.246 435 HH21 ARG 58 1HH2 ARG 58 3.108 13.792 -3.429 436 HH22 ARG 58 2HH2 ARG 58 4.506 13.483 -4.417 437 H TYR 59 H TYR 59 -2.355 7.146 -6.082 438 HA TYR 59 HA TYR 59 -5.001 7.530 -7.291 439 HB2 TYR 59 2HB TYR 59 -2.437 6.524 -8.509 440 HB3 TYR 59 1HB TYR 59 -4.006 6.218 -9.230 441 HD1 TYR 59 HD2 TYR 59 -1.682 8.867 -8.206 442 HD2 TYR 59 HD1 TYR 59 -5.096 7.899 -10.536 443 HE1 TYR 59 HE2 TYR 59 -1.536 11.064 -9.308 444 HE2 TYR 59 HE1 TYR 59 -4.976 10.095 -11.637 445 HH TYR 59 HH TYR 59 -2.268 12.070 -11.490 446 H LEU 60 H LEU 60 -6.348 6.072 -6.667 447 HA LEU 60 HA LEU 60 -5.657 3.266 -6.474 448 HB2 LEU 60 2HB LEU 60 -6.533 4.881 -4.074 449 HB3 LEU 60 1HB LEU 60 -6.672 3.136 -4.156 450 HG LEU 60 HG LEU 60 -4.056 4.631 -4.360 451 HD11 LEU 60 1HD1 LEU 60 -3.671 3.852 -2.063 452 HD12 LEU 60 2HD1 LEU 60 -5.319 3.225 -2.010 453 HD13 LEU 60 3HD1 LEU 60 -5.042 4.959 -2.162 454 HD21 LEU 60 3HD2 LEU 60 -4.683 1.707 -3.946 455 HD22 LEU 60 1HD2 LEU 60 -3.073 2.428 -3.964 456 HD23 LEU 60 2HD2 LEU 60 -4.055 2.428 -5.429 457 H SER 61 H SER 61 -7.511 1.928 -6.466 458 HA SER 61 HA SER 61 -10.064 3.327 -6.844 459 HB2 SER 61 2HB SER 61 -9.301 0.516 -7.700 460 HB3 SER 61 1HB SER 61 -10.835 1.325 -8.034 461 HG SER 61 HG SER 61 -8.323 1.699 -9.194 462 H LYS 62 H LYS 62 -11.524 3.140 -5.269 463 HA LYS 62 HA LYS 62 -10.712 1.469 -2.995 464 HB2 LYS 62 2HB LYS 62 -10.978 4.054 -2.927 465 HB3 LYS 62 1HB LYS 62 -12.698 3.705 -2.819 466 HG2 LYS 62 2HG LYS 62 -12.435 2.556 -0.776 467 HG3 LYS 62 1HG LYS 62 -10.682 2.501 -0.952 468 HD2 LYS 62 2HD LYS 62 -11.284 4.169 0.669 469 HD3 LYS 62 1HD LYS 62 -10.612 4.955 -0.757 470 HE2 LYS 62 2HE LYS 62 -12.848 5.510 -1.529 471 HE3 LYS 62 1HE LYS 62 -13.554 4.656 -0.158 472 HZ1 LYS 62 3HZ LYS 62 -11.786 7.034 0.045 473 HZ2 LYS 62 1HZ LYS 62 -12.542 6.231 1.336 474 HZ3 LYS 62 2HZ LYS 62 -13.475 7.060 0.182 475 H LEU 63 H LEU 63 -12.827 1.140 -1.494 476 HA LEU 63 HA LEU 63 -14.393 -0.727 -3.073 477 HB2 LEU 63 2HB LEU 63 -15.009 -1.760 -1.001 478 HB3 LEU 63 1HB LEU 63 -13.280 -1.489 -1.008 479 HG LEU 63 HG LEU 63 -15.170 0.391 0.395 480 HD11 LEU 63 1HD1 LEU 63 -15.528 -1.868 1.281 481 HD12 LEU 63 2HD1 LEU 63 -14.711 -0.834 2.453 482 HD13 LEU 63 3HD1 LEU 63 -13.791 -2.035 1.547 483 HD21 LEU 63 3HD2 LEU 63 -13.168 0.923 1.700 484 HD22 LEU 63 1HD2 LEU 63 -12.912 1.218 -0.022 485 HD23 LEU 63 2HD2 LEU 63 -12.235 -0.224 0.737 486 H GLU 64 H GLU 64 -14.848 2.348 -2.760 487 HA GLU 64 HA GLU 64 -17.528 2.385 -1.675 488 HB2 GLU 64 2HB GLU 64 -17.430 4.800 -2.719 489 HB3 GLU 64 1HB GLU 64 -16.588 4.423 -1.226 490 HG2 GLU 64 2HG GLU 64 -15.175 5.746 -2.623 491 HG3 GLU 64 1HG GLU 64 -14.510 4.120 -2.509 492 H HIS 65 H HIS 65 -16.154 1.479 -4.543 493 HA HIS 65 HA HIS 65 -18.741 1.739 -5.926 494 HB2 HIS 65 2HB HIS 65 -15.941 1.463 -7.025 495 HB3 HIS 65 1HB HIS 65 -17.369 1.161 -8.006 496 HD1 HIS 65 HD1 HIS 65 -15.114 3.542 -8.161 497 HD2 HIS 65 HD2 HIS 65 -19.106 3.803 -7.006 498 HE1 HIS 65 HE1 HIS 65 -15.785 5.935 -8.560 499 HE2 HIS 65 HE2 HIS 65 -18.185 6.091 -7.796 500 H HIS 66 H HIS 66 -19.302 -0.144 -7.304 501 HA HIS 66 HA HIS 66 -19.302 -2.516 -5.800 502 HB2 HIS 66 2HB HIS 66 -20.070 -1.887 -8.637 503 HB3 HIS 66 1HB HIS 66 -20.120 -3.543 -8.034 504 HD1 HIS 66 HD1 HIS 66 -22.158 -0.571 -8.276 505 HD2 HIS 66 HD2 HIS 66 -21.803 -3.721 -5.588 506 HE1 HIS 66 HE1 HIS 66 -24.282 -0.560 -6.936 507 HE2 HIS 66 HE2 HIS 66 -23.942 -2.334 -5.175 508 H HIS 67 H HIS 67 -18.172 -4.371 -5.910 509 HA HIS 67 HA HIS 67 -15.429 -3.956 -6.694 510 HB2 HIS 67 2HB HIS 67 -16.692 -6.374 -5.383 511 HB3 HIS 67 1HB HIS 67 -14.973 -6.011 -5.471 512 HD1 HIS 67 HD1 HIS 67 -16.243 -2.847 -4.742 513 HD2 HIS 67 HD2 HIS 67 -15.932 -6.339 -2.503 514 HE1 HIS 67 HE1 HIS 67 -16.358 -2.122 -2.344 515 HE2 HIS 67 HE2 HIS 67 -16.312 -4.258 -1.003 516 H HIS 68 H HIS 68 -15.171 -4.121 -8.849 517 HA HIS 68 HA HIS 68 -16.360 -6.250 -10.374 518 HB2 HIS 68 2HB HIS 68 -16.045 -4.040 -11.380 519 HB3 HIS 68 1HB HIS 68 -14.305 -4.163 -11.143 520 HD1 HIS 68 HD1 HIS 68 -13.084 -4.831 -13.185 521 HD2 HIS 68 HD2 HIS 68 -16.974 -6.324 -13.146 522 HE1 HIS 68 HE1 HIS 68 -13.365 -6.064 -15.364 523 HE2 HIS 68 HE2 HIS 68 -15.699 -7.014 -15.293 524 H HIS 69 H HIS 69 -15.596 -8.217 -9.878 525 HA HIS 69 HA HIS 69 -12.716 -8.654 -9.709 526 HB2 HIS 69 2HB HIS 69 -13.265 -10.934 -9.032 527 HB3 HIS 69 1HB HIS 69 -14.169 -9.785 -8.059 528 HD1 HIS 69 HD1 HIS 69 -14.567 -12.672 -10.274 529 HD2 HIS 69 HD2 HIS 69 -16.983 -9.643 -8.763 530 HE1 HIS 69 HE1 HIS 69 -16.936 -13.438 -10.650 531 HE2 HIS 69 HE2 HIS 69 -18.369 -11.506 -9.897 532 H HIS 70 H HIS 70 -11.664 -10.267 -11.071 533 HA HIS 70 HA HIS 70 -13.070 -10.741 -13.611 534 HB2 HIS 70 2HB HIS 70 -11.511 -8.698 -13.641 535 HB3 HIS 70 1HB HIS 70 -10.190 -9.853 -13.517 536 HD1 HIS 70 HD1 HIS 70 -9.441 -10.981 -15.649 537 HD2 HIS 70 HD2 HIS 70 -13.022 -8.908 -16.086 538 HE1 HIS 70 HE1 HIS 70 -9.901 -10.938 -18.120 539 HE2 HIS 70 HE2 HIS 70 -11.972 -9.512 -18.370 Start of MODEL 4 1 H1 MET 1 1H MET 1 -4.039 17.680 -23.964 2 H2 MET 1 2H MET 1 -4.740 16.493 -22.975 3 H3 MET 1 3H MET 1 -3.658 16.047 -24.201 4 HA MET 1 HA MET 1 -1.867 17.206 -23.084 5 HB2 MET 1 2HB MET 1 -4.006 17.698 -21.006 6 HB3 MET 1 1HB MET 1 -2.287 17.875 -20.685 7 HG2 MET 1 2HG MET 1 -3.857 19.415 -22.739 8 HG3 MET 1 1HG MET 1 -3.368 20.014 -21.156 9 HE1 MET 1 3HE MET 1 0.512 20.192 -21.471 10 HE2 MET 1 1HE MET 1 -0.455 18.876 -20.804 11 HE3 MET 1 2HE MET 1 -0.889 20.552 -20.464 12 H ILE 2 H ILE 2 -0.518 15.724 -22.385 13 HA ILE 2 HA ILE 2 -1.383 13.087 -21.854 14 HB ILE 2 HB ILE 2 1.001 12.631 -21.296 15 HG12 ILE 2 2HG1 ILE 2 1.364 15.581 -21.879 16 HG13 ILE 2 1HG1 ILE 2 1.501 14.843 -20.288 17 HG21 ILE 2 1HG2 ILE 2 0.507 14.199 -23.827 18 HG22 ILE 2 2HG2 ILE 2 0.203 12.478 -23.586 19 HG23 ILE 2 3HG2 ILE 2 1.854 13.095 -23.552 20 HD11 ILE 2 3HD1 ILE 2 3.264 14.283 -22.662 21 HD12 ILE 2 1HD1 ILE 2 3.400 13.519 -21.077 22 HD13 ILE 2 2HD1 ILE 2 3.683 15.252 -21.249 23 H GLY 3 H GLY 3 -1.584 11.927 -20.014 24 HA2 GLY 3 2HA GLY 3 -1.205 11.521 -17.685 25 HA3 GLY 3 1HA GLY 3 -0.963 13.248 -17.456 26 H ASP 4 H ASP 4 -3.367 13.612 -19.287 27 HA ASP 4 HA ASP 4 -5.593 13.990 -19.140 28 HB2 ASP 4 2HB ASP 4 -5.485 11.659 -17.217 29 HB3 ASP 4 1HB ASP 4 -6.984 12.448 -17.696 30 H TYR 5 H TYR 5 -7.412 14.447 -17.415 31 HA TYR 5 HA TYR 5 -6.173 16.283 -15.494 32 HB2 TYR 5 2HB TYR 5 -8.926 16.160 -16.718 33 HB3 TYR 5 1HB TYR 5 -8.546 17.214 -15.360 34 HD1 TYR 5 HD2 TYR 5 -7.326 16.401 -18.799 35 HD2 TYR 5 HD1 TYR 5 -7.836 19.366 -15.792 36 HE1 TYR 5 HE2 TYR 5 -6.520 18.115 -20.363 37 HE2 TYR 5 HE1 TYR 5 -7.035 21.091 -17.350 38 HH TYR 5 HH TYR 5 -5.756 21.328 -19.347 39 H TYR 6 H TYR 6 -8.317 13.527 -15.704 40 HA TYR 6 HA TYR 6 -8.596 13.597 -12.782 41 HB2 TYR 6 2HB TYR 6 -10.385 12.523 -14.933 42 HB3 TYR 6 1HB TYR 6 -10.485 11.886 -13.293 43 HD1 TYR 6 HD1 TYR 6 -10.868 14.939 -15.347 44 HD2 TYR 6 HD2 TYR 6 -11.507 13.133 -11.546 45 HE1 TYR 6 HE1 TYR 6 -12.288 16.837 -14.685 46 HE2 TYR 6 HE2 TYR 6 -12.924 15.027 -10.878 47 HH TYR 6 HH TYR 6 -14.093 17.330 -13.080 48 H ILE 7 H ILE 7 -6.953 12.529 -12.002 49 HA ILE 7 HA ILE 7 -6.638 9.723 -12.818 50 HB ILE 7 HB ILE 7 -4.324 9.794 -11.987 51 HG12 ILE 7 2HG1 ILE 7 -4.721 11.782 -10.443 52 HG13 ILE 7 1HG1 ILE 7 -3.201 11.770 -11.326 53 HG21 ILE 7 1HG2 ILE 7 -4.919 11.821 -14.130 54 HG22 ILE 7 2HG2 ILE 7 -4.716 10.082 -14.347 55 HG23 ILE 7 3HG2 ILE 7 -3.349 11.074 -13.838 56 HD11 ILE 7 3HD1 ILE 7 -5.642 13.383 -12.050 57 HD12 ILE 7 1HD1 ILE 7 -4.098 13.395 -12.903 58 HD13 ILE 7 2HD1 ILE 7 -4.196 13.994 -11.247 59 H ASN 8 H ASN 8 -5.184 8.795 -10.688 60 HA ASN 8 HA ASN 8 -5.423 7.962 -8.580 61 HB2 ASN 8 2HB ASN 8 -5.016 10.448 -8.099 62 HB3 ASN 8 1HB ASN 8 -6.753 10.584 -7.859 63 HD21 ASN 8 1HD2 ASN 8 -4.539 11.000 -6.006 64 HD22 ASN 8 2HD2 ASN 8 -4.824 9.942 -4.671 65 H ALA 9 H ALA 9 -7.227 7.035 -10.253 66 HA ALA 9 HA ALA 9 -9.403 6.224 -8.673 67 HB1 ALA 9 3HB ALA 9 -11.259 7.257 -9.882 68 HB2 ALA 9 1HB ALA 9 -10.120 8.194 -10.849 69 HB3 ALA 9 2HB ALA 9 -10.251 8.484 -9.115 70 H SER 10 H SER 10 -8.119 6.751 -11.896 71 HA SER 10 HA SER 10 -9.236 4.174 -12.763 72 HB2 SER 10 2HB SER 10 -10.138 5.964 -14.097 73 HB3 SER 10 1HB SER 10 -8.540 6.667 -14.334 74 HG SER 10 HG SER 10 -9.691 4.384 -15.506 75 H ALA 11 H ALA 11 -7.822 2.609 -12.947 76 HA ALA 11 HA ALA 11 -6.025 1.388 -13.548 77 HB1 ALA 11 3HB ALA 11 -6.027 2.698 -15.614 78 HB2 ALA 11 1HB ALA 11 -4.395 2.249 -15.115 79 HB3 ALA 11 2HB ALA 11 -4.977 3.893 -14.852 80 H LEU 12 H LEU 12 -4.067 0.768 -12.734 81 HA LEU 12 HA LEU 12 -2.277 0.669 -11.340 82 HB2 LEU 12 2HB LEU 12 -2.227 3.668 -11.693 83 HB3 LEU 12 1HB LEU 12 -0.917 2.691 -11.061 84 HG LEU 12 HG LEU 12 -2.010 2.571 -13.874 85 HD11 LEU 12 1HD1 LEU 12 0.615 3.608 -12.814 86 HD12 LEU 12 2HD1 LEU 12 -0.723 4.595 -13.402 87 HD13 LEU 12 3HD1 LEU 12 0.135 3.523 -14.509 88 HD21 LEU 12 3HD2 LEU 12 -0.148 1.059 -14.322 89 HD22 LEU 12 1HD2 LEU 12 -1.235 0.386 -13.106 90 HD23 LEU 12 2HD2 LEU 12 0.303 1.096 -12.617 91 H ASN 13 H ASN 13 -5.027 1.226 -10.272 92 HA ASN 13 HA ASN 13 -5.082 3.003 -8.165 93 HB2 ASN 13 2HB ASN 13 -6.489 0.332 -8.275 94 HB3 ASN 13 1HB ASN 13 -6.933 1.697 -7.256 95 HD21 ASN 13 1HD2 ASN 13 -7.802 3.574 -8.248 96 HD22 ASN 13 2HD2 ASN 13 -8.552 3.473 -9.806 97 H VAL 14 H VAL 14 -4.057 -0.406 -8.087 98 HA VAL 14 HA VAL 14 -2.636 0.220 -5.607 99 HB VAL 14 HB VAL 14 -3.168 -2.361 -5.124 100 HG11 VAL 14 1HG1 VAL 14 -3.529 -0.479 -3.597 101 HG12 VAL 14 2HG1 VAL 14 -4.895 -1.594 -3.574 102 HG13 VAL 14 3HG1 VAL 14 -5.016 -0.070 -4.452 103 HG21 VAL 14 3HG2 VAL 14 -5.614 -1.338 -6.568 104 HG22 VAL 14 1HG2 VAL 14 -5.534 -2.817 -5.610 105 HG23 VAL 14 2HG2 VAL 14 -4.577 -2.668 -7.083 106 H ARG 15 H ARG 15 -1.369 0.393 -7.944 107 HA ARG 15 HA ARG 15 -0.202 -2.119 -8.776 108 HB2 ARG 15 2HB ARG 15 -0.693 -0.102 -10.251 109 HB3 ARG 15 1HB ARG 15 0.694 0.671 -9.504 110 HG2 ARG 15 2HG ARG 15 1.301 -0.248 -11.644 111 HG3 ARG 15 1HG ARG 15 2.138 -1.118 -10.359 112 HD2 ARG 15 2HD ARG 15 0.958 -3.040 -10.703 113 HD3 ARG 15 1HD ARG 15 -0.467 -2.188 -11.302 114 HE ARG 15 HE ARG 15 1.288 -1.713 -13.259 115 HH11 ARG 15 1HH1 ARG 15 0.639 -4.717 -11.578 116 HH12 ARG 15 2HH1 ARG 15 0.816 -5.696 -13.003 117 HH21 ARG 15 1HH2 ARG 15 1.536 -3.010 -15.130 118 HH22 ARG 15 2HH2 ARG 15 1.368 -4.741 -15.005 119 H SER 16 H SER 16 0.173 -1.220 -5.989 120 HA SER 16 HA SER 16 1.738 -1.189 -4.354 121 HB2 SER 16 2HB SER 16 2.278 -3.355 -5.513 122 HB3 SER 16 1HB SER 16 3.539 -2.499 -6.397 123 HG SER 16 HG SER 16 4.097 -1.864 -4.015 124 H GLY 17 H GLY 17 1.592 1.116 -6.107 125 HA2 GLY 17 2HA GLY 17 2.811 3.118 -5.456 126 HA3 GLY 17 1HA GLY 17 4.287 2.164 -5.540 127 H GLU 18 H GLU 18 5.481 2.726 -7.185 128 HA GLU 18 HA GLU 18 4.317 4.032 -9.497 129 HB2 GLU 18 2HB GLU 18 7.222 3.323 -9.110 130 HB3 GLU 18 1HB GLU 18 6.538 4.619 -10.082 131 HG2 GLU 18 2HG GLU 18 6.630 4.461 -7.083 132 HG3 GLU 18 1HG GLU 18 7.550 5.546 -8.122 133 H GLY 19 H GLY 19 4.178 1.016 -8.798 134 HA2 GLY 19 2HA GLY 19 4.062 -0.903 -10.120 135 HA3 GLY 19 1HA GLY 19 4.853 -0.025 -11.428 136 H THR 20 H THR 20 6.260 0.311 -8.375 137 HA THR 20 HA THR 20 8.749 -0.690 -9.160 138 HB THR 20 HB THR 20 7.831 -0.334 -6.309 139 HG1 THR 20 HG1 THR 20 8.888 1.674 -8.048 140 HG21 THR 20 3HG2 THR 20 10.064 -1.321 -6.621 141 HG22 THR 20 1HG2 THR 20 10.169 0.303 -5.938 142 HG23 THR 20 2HG2 THR 20 10.517 0.040 -7.646 143 H ASN 21 H ASN 21 6.414 -2.034 -6.805 144 HA ASN 21 HA ASN 21 7.676 -4.656 -7.180 145 HB2 ASN 21 2HB ASN 21 7.350 -3.746 -4.836 146 HB3 ASN 21 1HB ASN 21 5.617 -3.910 -5.095 147 HD21 ASN 21 1HD2 ASN 21 7.372 -5.227 -3.165 148 HD22 ASN 21 2HD2 ASN 21 7.184 -6.927 -3.431 149 H TYR 22 H TYR 22 6.810 -5.574 -8.912 150 HA TYR 22 HA TYR 22 4.010 -5.086 -9.567 151 HB2 TYR 22 2HB TYR 22 4.653 -6.207 -11.742 152 HB3 TYR 22 1HB TYR 22 5.503 -4.707 -11.387 153 HD1 TYR 22 HD2 TYR 22 7.872 -4.741 -10.745 154 HD2 TYR 22 HD1 TYR 22 5.827 -8.312 -11.818 155 HE1 TYR 22 HE2 TYR 22 10.028 -5.888 -11.015 156 HE2 TYR 22 HE1 TYR 22 7.978 -9.470 -12.090 157 HH TYR 22 HH TYR 22 10.823 -8.345 -10.860 158 H ARG 23 H ARG 23 5.431 -7.203 -7.631 159 HA ARG 23 HA ARG 23 4.132 -9.593 -8.720 160 HB2 ARG 23 2HB ARG 23 6.241 -9.249 -6.594 161 HB3 ARG 23 1HB ARG 23 5.456 -10.787 -6.929 162 HG2 ARG 23 2HG ARG 23 6.305 -10.715 -9.225 163 HG3 ARG 23 1HG ARG 23 7.100 -9.177 -8.880 164 HD2 ARG 23 2HD ARG 23 8.493 -10.226 -7.208 165 HD3 ARG 23 1HD ARG 23 7.637 -11.752 -7.406 166 HE ARG 23 HE ARG 23 8.600 -11.204 -9.902 167 HH11 ARG 23 1HH1 ARG 23 10.015 -11.505 -6.710 168 HH12 ARG 23 2HH1 ARG 23 11.539 -12.098 -7.300 169 HH21 ARG 23 1HH2 ARG 23 10.632 -11.973 -10.685 170 HH22 ARG 23 2HH2 ARG 23 11.895 -12.341 -9.542 171 H ILE 24 H ILE 24 4.083 -7.488 -5.876 172 HA ILE 24 HA ILE 24 2.547 -9.428 -4.384 173 HB ILE 24 HB ILE 24 4.222 -8.188 -3.177 174 HG12 ILE 24 2HG1 ILE 24 1.440 -7.365 -2.313 175 HG13 ILE 24 1HG1 ILE 24 2.203 -8.913 -1.962 176 HG21 ILE 24 1HG2 ILE 24 4.019 -5.775 -2.753 177 HG22 ILE 24 2HG2 ILE 24 2.654 -5.705 -3.868 178 HG23 ILE 24 3HG2 ILE 24 4.258 -6.132 -4.464 179 HD11 ILE 24 3HD1 ILE 24 3.925 -7.742 -0.661 180 HD12 ILE 24 1HD1 ILE 24 2.299 -7.455 -0.039 181 HD13 ILE 24 2HD1 ILE 24 3.111 -6.212 -0.991 182 H ILE 25 H ILE 25 1.870 -6.075 -5.512 183 HA ILE 25 HA ILE 25 -0.990 -6.705 -5.204 184 HB ILE 25 HB ILE 25 0.157 -3.983 -4.639 185 HG12 ILE 25 2HG1 ILE 25 -0.606 -6.023 -2.568 186 HG13 ILE 25 1HG1 ILE 25 1.056 -5.701 -3.051 187 HG21 ILE 25 1HG2 ILE 25 -2.490 -5.225 -3.972 188 HG22 ILE 25 2HG2 ILE 25 -2.184 -4.013 -5.218 189 HG23 ILE 25 3HG2 ILE 25 -1.973 -3.601 -3.516 190 HD11 ILE 25 3HD1 ILE 25 -0.834 -3.715 -1.812 191 HD12 ILE 25 1HD1 ILE 25 0.834 -3.396 -2.289 192 HD13 ILE 25 2HD1 ILE 25 0.491 -4.543 -0.993 193 H GLY 26 H GLY 26 -2.393 -5.651 -6.698 194 HA2 GLY 26 2HA GLY 26 -1.202 -4.161 -8.891 195 HA3 GLY 26 1HA GLY 26 -1.866 -5.740 -9.295 196 H ALA 27 H ALA 27 -2.878 -3.368 -10.414 197 HA ALA 27 HA ALA 27 -5.057 -2.391 -8.822 198 HB1 ALA 27 3HB ALA 27 -5.586 -0.986 -10.717 199 HB2 ALA 27 1HB ALA 27 -4.475 -1.901 -11.736 200 HB3 ALA 27 2HB ALA 27 -3.854 -0.942 -10.392 201 H LEU 28 H LEU 28 -6.466 -4.018 -8.388 202 HA LEU 28 HA LEU 28 -8.303 -4.585 -10.559 203 HB2 LEU 28 2HB LEU 28 -6.730 -6.505 -10.528 204 HB3 LEU 28 1HB LEU 28 -7.150 -6.798 -8.852 205 HG LEU 28 HG LEU 28 -9.454 -7.312 -9.500 206 HD11 LEU 28 1HD1 LEU 28 -9.630 -5.884 -11.463 207 HD12 LEU 28 2HD1 LEU 28 -10.053 -7.551 -11.858 208 HD13 LEU 28 3HD1 LEU 28 -8.478 -6.906 -12.325 209 HD21 LEU 28 3HD2 LEU 28 -7.846 -9.124 -9.364 210 HD22 LEU 28 1HD2 LEU 28 -7.370 -8.856 -11.041 211 HD23 LEU 28 2HD2 LEU 28 -8.997 -9.423 -10.666 212 HA PRO 29 HA PRO 29 -10.193 -3.507 -6.459 213 HB2 PRO 29 2HB PRO 29 -11.739 -1.551 -7.981 214 HB3 PRO 29 1HB PRO 29 -10.666 -1.294 -6.606 215 HG2 PRO 29 2HG PRO 29 -10.050 -0.464 -9.102 216 HG3 PRO 29 1HG PRO 29 -8.816 -0.980 -7.938 217 HD2 PRO 29 2HD PRO 29 -10.027 -2.505 -10.219 218 HD3 PRO 29 1HD PRO 29 -8.328 -2.410 -9.704 219 H GLN 30 H GLN 30 -11.228 -5.509 -6.533 220 HA GLN 30 HA GLN 30 -13.649 -5.757 -8.158 221 HB2 GLN 30 2HB GLN 30 -13.548 -8.150 -7.371 222 HB3 GLN 30 1HB GLN 30 -12.171 -7.626 -8.331 223 HG2 GLN 30 2HG GLN 30 -11.073 -7.136 -6.038 224 HG3 GLN 30 1HG GLN 30 -12.324 -8.206 -5.405 225 HE21 GLN 30 1HE2 GLN 30 -9.467 -7.961 -7.339 226 HE22 GLN 30 2HE2 GLN 30 -9.165 -9.659 -7.485 227 H GLY 31 H GLY 31 -14.351 -3.950 -6.548 228 HA2 GLY 31 2HA GLY 31 -15.875 -3.402 -4.885 229 HA3 GLY 31 1HA GLY 31 -16.006 -5.113 -4.491 230 H GLN 32 H GLN 32 -14.291 -6.082 -3.245 231 HA GLN 32 HA GLN 32 -13.243 -4.388 -1.193 232 HB2 GLN 32 2HB GLN 32 -12.770 -7.295 -1.864 233 HB3 GLN 32 1HB GLN 32 -12.023 -6.488 -0.491 234 HG2 GLN 32 2HG GLN 32 -14.256 -5.988 0.403 235 HG3 GLN 32 1HG GLN 32 -14.975 -6.855 -0.953 236 HE21 GLN 32 1HE2 GLN 32 -15.103 -7.340 1.942 237 HE22 GLN 32 2HE2 GLN 32 -14.558 -8.972 2.164 238 H LYS 33 H LYS 33 -11.189 -3.611 -0.966 239 HA LYS 33 HA LYS 33 -9.473 -3.890 -3.344 240 HB2 LYS 33 2HB LYS 33 -9.722 -1.492 -1.510 241 HB3 LYS 33 1HB LYS 33 -8.771 -1.587 -2.988 242 HG2 LYS 33 2HG LYS 33 -10.698 -1.640 -4.346 243 HG3 LYS 33 1HG LYS 33 -11.751 -1.968 -2.971 244 HD2 LYS 33 2HD LYS 33 -11.287 0.258 -2.077 245 HD3 LYS 33 1HD LYS 33 -10.217 0.587 -3.441 246 HE2 LYS 33 2HE LYS 33 -12.397 1.606 -3.799 247 HE3 LYS 33 1HE LYS 33 -12.106 0.332 -4.981 248 HZ1 LYS 33 3HZ LYS 33 -14.332 0.147 -4.189 249 HZ2 LYS 33 1HZ LYS 33 -13.837 0.168 -2.568 250 HZ3 LYS 33 2HZ LYS 33 -13.458 -1.157 -3.552 251 H VAL 34 H VAL 34 -9.010 -2.468 -0.155 252 HA VAL 34 HA VAL 34 -7.557 -4.400 1.127 253 HB VAL 34 HB VAL 34 -5.884 -4.278 -0.670 254 HG11 VAL 34 1HG1 VAL 34 -6.224 -1.973 -1.384 255 HG12 VAL 34 2HG1 VAL 34 -4.527 -2.290 -1.028 256 HG13 VAL 34 3HG1 VAL 34 -5.518 -1.395 0.125 257 HG21 VAL 34 3HG2 VAL 34 -3.901 -3.925 0.708 258 HG22 VAL 34 1HG2 VAL 34 -5.145 -4.820 1.583 259 HG23 VAL 34 2HG2 VAL 34 -4.886 -3.110 1.922 260 H GLN 35 H GLN 35 -8.021 -1.071 0.355 261 HA GLN 35 HA GLN 35 -8.652 0.698 1.590 262 HB2 GLN 35 2HB GLN 35 -8.685 -1.331 3.809 263 HB3 GLN 35 1HB GLN 35 -9.019 0.370 4.103 264 HG2 GLN 35 2HG GLN 35 -11.101 -0.739 3.870 265 HG3 GLN 35 1HG GLN 35 -10.853 0.221 2.416 266 HE21 GLN 35 1HE2 GLN 35 -11.032 -2.971 3.750 267 HE22 GLN 35 2HE2 GLN 35 -11.142 -3.820 2.249 268 H VAL 36 H VAL 36 -7.496 2.394 2.124 269 HA VAL 36 HA VAL 36 -4.681 1.993 2.679 270 HB VAL 36 HB VAL 36 -6.209 4.572 2.276 271 HG11 VAL 36 1HG1 VAL 36 -3.989 5.526 1.799 272 HG12 VAL 36 2HG1 VAL 36 -3.252 3.993 2.262 273 HG13 VAL 36 3HG1 VAL 36 -4.136 4.944 3.456 274 HG21 VAL 36 3HG2 VAL 36 -4.604 2.935 0.313 275 HG22 VAL 36 1HG2 VAL 36 -5.276 4.536 0.002 276 HG23 VAL 36 2HG2 VAL 36 -6.353 3.170 0.298 277 H ILE 37 H ILE 37 -4.109 1.653 4.706 278 HA ILE 37 HA ILE 37 -5.723 2.488 6.914 279 HB ILE 37 HB ILE 37 -2.939 1.313 6.972 280 HG12 ILE 37 2HG1 ILE 37 -5.238 -0.397 7.621 281 HG13 ILE 37 1HG1 ILE 37 -5.183 0.115 5.937 282 HG21 ILE 37 1HG2 ILE 37 -3.555 0.606 9.239 283 HG22 ILE 37 2HG2 ILE 37 -5.100 1.441 9.075 284 HG23 ILE 37 3HG2 ILE 37 -3.595 2.361 9.074 285 HD11 ILE 37 3HD1 ILE 37 -2.990 -1.303 7.430 286 HD12 ILE 37 1HD1 ILE 37 -2.922 -0.789 5.743 287 HD13 ILE 37 2HD1 ILE 37 -4.082 -2.021 6.246 288 H SER 38 H SER 38 -2.448 3.382 5.784 289 HA SER 38 HA SER 38 -2.848 6.050 6.837 290 HB2 SER 38 2HB SER 38 -0.536 4.363 7.826 291 HB3 SER 38 1HB SER 38 -0.842 6.051 8.230 292 HG SER 38 HG SER 38 -3.052 4.764 8.807 293 H GLU 39 H GLU 39 -1.402 7.569 6.034 294 HA GLU 39 HA GLU 39 0.246 6.636 3.777 295 HB2 GLU 39 2HB GLU 39 -1.006 9.375 3.997 296 HB3 GLU 39 1HB GLU 39 -0.255 8.643 2.596 297 HG2 GLU 39 2HG GLU 39 -2.443 8.438 2.031 298 HG3 GLU 39 1HG GLU 39 -2.181 6.897 2.843 299 H ASN 40 H ASN 40 2.372 7.064 3.983 300 HA ASN 40 HA ASN 40 3.246 9.335 5.593 301 HB2 ASN 40 2HB ASN 40 3.050 7.443 7.178 302 HB3 ASN 40 1HB ASN 40 4.137 6.499 6.168 303 HD21 ASN 40 1HD2 ASN 40 3.868 9.132 8.419 304 HD22 ASN 40 2HD2 ASN 40 5.569 9.308 8.718 305 H SER 41 H SER 41 5.135 10.193 4.908 306 HA SER 41 HA SER 41 7.139 10.450 3.886 307 HB2 SER 41 2HB SER 41 7.724 8.189 4.641 308 HB3 SER 41 1HB SER 41 6.939 7.500 3.223 309 HG SER 41 HG SER 41 9.181 9.256 3.229 310 H GLY 42 H GLY 42 5.084 8.301 1.922 311 HA2 GLY 42 2HA GLY 42 4.614 10.260 -0.065 312 HA3 GLY 42 1HA GLY 42 5.922 9.203 -0.585 313 H TRP 43 H TRP 43 5.252 6.784 0.200 314 HA TRP 43 HA TRP 43 2.871 6.176 -1.339 315 HB2 TRP 43 2HB TRP 43 5.081 4.513 -0.165 316 HB3 TRP 43 1HB TRP 43 3.593 3.764 -0.726 317 HD1 TRP 43 HD1 TRP 43 3.768 6.233 -3.211 318 HE1 TRP 43 HE1 TRP 43 5.124 5.506 -5.289 319 HE3 TRP 43 HE3 TRP 43 6.276 2.308 -1.149 320 HZ2 TRP 43 HZ2 TRP 43 7.032 3.500 -5.934 321 HZ3 TRP 43 HZ3 TRP 43 7.851 1.031 -2.547 322 HH2 TRP 43 HH2 TRP 43 8.218 1.619 -4.893 323 H SER 44 H SER 44 1.270 4.682 -0.532 324 HA SER 44 HA SER 44 0.584 5.222 2.254 325 HB2 SER 44 2HB SER 44 -0.997 3.818 0.079 326 HB3 SER 44 1HB SER 44 -1.606 4.269 1.671 327 HG SER 44 HG SER 44 -0.469 6.295 0.118 328 H LYS 45 H LYS 45 0.402 3.611 3.807 329 HA LYS 45 HA LYS 45 1.686 1.082 3.077 330 HB2 LYS 45 2HB LYS 45 2.880 2.429 4.725 331 HB3 LYS 45 1HB LYS 45 1.447 2.492 5.738 332 HG2 LYS 45 2HG LYS 45 2.547 -0.169 5.019 333 HG3 LYS 45 1HG LYS 45 3.402 0.810 6.214 334 HD2 LYS 45 2HD LYS 45 0.494 0.021 6.335 335 HD3 LYS 45 1HD LYS 45 1.798 -0.704 7.265 336 HE2 LYS 45 2HE LYS 45 2.271 1.646 8.111 337 HE3 LYS 45 1HE LYS 45 0.697 2.073 7.455 338 HZ1 LYS 45 3HZ LYS 45 0.441 1.543 9.753 339 HZ2 LYS 45 1HZ LYS 45 1.268 0.072 9.571 340 HZ3 LYS 45 2HZ LYS 45 -0.254 0.279 8.860 341 H ILE 46 H ILE 46 0.629 -0.758 3.281 342 HA ILE 46 HA ILE 46 -1.845 -0.890 4.812 343 HB ILE 46 HB ILE 46 -3.149 -1.883 3.034 344 HG12 ILE 46 2HG1 ILE 46 -1.161 -2.831 1.780 345 HG13 ILE 46 1HG1 ILE 46 -2.445 -2.158 0.785 346 HG21 ILE 46 1HG2 ILE 46 -3.329 0.504 3.294 347 HG22 ILE 46 2HG2 ILE 46 -3.497 0.064 1.594 348 HG23 ILE 46 3HG2 ILE 46 -1.984 0.754 2.181 349 HD11 ILE 46 3HD1 ILE 46 -1.118 -0.127 0.469 350 HD12 ILE 46 1HD1 ILE 46 -0.265 -1.569 -0.084 351 HD13 ILE 46 2HD1 ILE 46 0.169 -0.823 1.455 352 H ASN 47 H ASN 47 -2.708 -3.200 4.762 353 HA ASN 47 HA ASN 47 -0.435 -5.073 4.783 354 HB2 ASN 47 2HB ASN 47 -1.556 -4.783 6.973 355 HB3 ASN 47 1HB ASN 47 -3.082 -5.280 6.246 356 HD21 ASN 47 1HD2 ASN 47 0.014 -6.306 7.414 357 HD22 ASN 47 2HD2 ASN 47 -0.296 -8.006 7.342 358 H TYR 48 H TYR 48 -0.377 -6.404 3.097 359 HA TYR 48 HA TYR 48 -2.915 -6.947 1.700 360 HB2 TYR 48 2HB TYR 48 -0.930 -5.603 0.584 361 HB3 TYR 48 1HB TYR 48 -0.268 -7.210 0.331 362 HD1 TYR 48 HD1 TYR 48 -3.270 -5.128 -0.337 363 HD2 TYR 48 HD2 TYR 48 -0.984 -8.516 -1.488 364 HE1 TYR 48 HE1 TYR 48 -4.686 -5.399 -2.324 365 HE2 TYR 48 HE2 TYR 48 -2.395 -8.793 -3.480 366 HH TYR 48 HH TYR 48 -4.869 -8.134 -4.093 367 H ASN 49 H ASN 49 -3.521 -8.860 2.525 368 HA ASN 49 HA ASN 49 -3.619 -11.105 2.810 369 HB2 ASN 49 2HB ASN 49 -2.714 -10.947 0.374 370 HB3 ASN 49 1HB ASN 49 -1.180 -11.447 1.078 371 HD21 ASN 49 1HD2 ASN 49 -0.953 -13.551 1.841 372 HD22 ASN 49 2HD2 ASN 49 -2.114 -14.792 1.509 373 H GLY 50 H GLY 50 -2.264 -9.580 4.705 374 HA2 GLY 50 2HA GLY 50 -1.437 -10.384 6.759 375 HA3 GLY 50 1HA GLY 50 -0.720 -11.745 5.916 376 H GLN 51 H GLN 51 0.361 -9.564 3.941 377 HA GLN 51 HA GLN 51 2.699 -8.990 5.634 378 HB2 GLN 51 2HB GLN 51 4.028 -9.014 3.528 379 HB3 GLN 51 1HB GLN 51 3.306 -10.557 3.944 380 HG2 GLN 51 2HG GLN 51 1.432 -9.922 2.340 381 HG3 GLN 51 1HG GLN 51 2.522 -8.654 1.775 382 HE21 GLN 51 1HE2 GLN 51 1.949 -12.069 1.962 383 HE22 GLN 51 2HE2 GLN 51 3.130 -12.543 0.791 384 H THR 52 H THR 52 3.750 -7.026 5.491 385 HA THR 52 HA THR 52 2.024 -4.806 5.008 386 HB THR 52 HB THR 52 4.993 -4.730 5.585 387 HG1 THR 52 HG1 THR 52 2.766 -5.232 7.229 388 HG21 THR 52 3HG2 THR 52 2.802 -2.713 6.094 389 HG22 THR 52 1HG2 THR 52 4.025 -2.606 4.830 390 HG23 THR 52 2HG2 THR 52 4.503 -2.529 6.526 391 H GLY 53 H GLY 53 1.735 -3.733 3.177 392 HA2 GLY 53 2HA GLY 53 3.887 -3.818 1.157 393 HA3 GLY 53 1HA GLY 53 2.196 -4.012 0.720 394 H TYR 54 H TYR 54 3.619 -2.074 -0.501 395 HA TYR 54 HA TYR 54 2.437 0.351 0.657 396 HB2 TYR 54 2HB TYR 54 5.187 0.038 -0.540 397 HB3 TYR 54 1HB TYR 54 4.395 1.601 -0.412 398 HD1 TYR 54 HD2 TYR 54 5.969 -1.136 1.460 399 HD2 TYR 54 HD1 TYR 54 4.109 2.679 1.723 400 HE1 TYR 54 HE2 TYR 54 6.799 -0.897 3.764 401 HE2 TYR 54 HE1 TYR 54 4.936 2.933 4.023 402 HH TYR 54 HH TYR 54 7.283 0.804 5.381 403 H ILE 55 H ILE 55 1.552 1.772 -0.756 404 HA ILE 55 HA ILE 55 1.644 1.146 -3.614 405 HB ILE 55 HB ILE 55 -0.852 1.651 -3.718 406 HG12 ILE 55 2HG1 ILE 55 -1.386 0.573 -1.089 407 HG13 ILE 55 1HG1 ILE 55 -0.488 2.083 -0.976 408 HG21 ILE 55 1HG2 ILE 55 0.014 -0.572 -4.119 409 HG22 ILE 55 2HG2 ILE 55 -1.494 -0.665 -3.207 410 HG23 ILE 55 3HG2 ILE 55 0.051 -0.895 -2.387 411 HD11 ILE 55 3HD1 ILE 55 -3.074 1.673 -2.452 412 HD12 ILE 55 1HD1 ILE 55 -2.176 3.187 -2.342 413 HD13 ILE 55 2HD1 ILE 55 -2.876 2.469 -0.891 414 H GLY 56 H GLY 56 0.927 2.985 -4.952 415 HA2 GLY 56 2HA GLY 56 2.107 5.381 -3.936 416 HA3 GLY 56 1HA GLY 56 1.382 5.167 -5.522 417 H THR 57 H THR 57 1.158 7.082 -2.990 418 HA THR 57 HA THR 57 -1.663 6.995 -2.450 419 HB THR 57 HB THR 57 0.148 9.344 -1.884 420 HG1 THR 57 HG1 THR 57 1.309 8.057 -0.667 421 HG21 THR 57 3HG2 THR 57 -1.279 9.545 0.116 422 HG22 THR 57 1HG2 THR 57 -2.211 8.150 -0.421 423 HG23 THR 57 2HG2 THR 57 -2.220 9.635 -1.373 424 H ARG 58 H ARG 58 0.253 8.242 -4.966 425 HA ARG 58 HA ARG 58 -1.559 10.372 -5.631 426 HB2 ARG 58 2HB ARG 58 -0.070 10.750 -7.525 427 HB3 ARG 58 1HB ARG 58 0.803 10.697 -6.012 428 HG2 ARG 58 2HG ARG 58 1.454 8.360 -6.546 429 HG3 ARG 58 1HG ARG 58 0.695 8.563 -8.129 430 HD2 ARG 58 2HD ARG 58 2.169 10.626 -8.387 431 HD3 ARG 58 1HD ARG 58 3.058 10.033 -6.988 432 HE ARG 58 HE ARG 58 3.627 8.054 -8.313 433 HH11 ARG 58 1HH1 ARG 58 2.455 10.906 -9.995 434 HH12 ARG 58 2HH1 ARG 58 3.192 10.468 -11.506 435 HH21 ARG 58 1HH2 ARG 58 4.607 7.494 -10.284 436 HH22 ARG 58 2HH2 ARG 58 4.396 8.515 -11.686 437 H TYR 59 H TYR 59 -1.251 7.019 -6.336 438 HA TYR 59 HA TYR 59 -3.560 7.293 -8.128 439 HB2 TYR 59 2HB TYR 59 -1.191 5.455 -8.300 440 HB3 TYR 59 1HB TYR 59 -2.736 4.977 -8.968 441 HD1 TYR 59 HD2 TYR 59 -0.194 7.667 -9.122 442 HD2 TYR 59 HD1 TYR 59 -3.322 5.632 -11.150 443 HE1 TYR 59 HE2 TYR 59 0.375 8.873 -11.192 444 HE2 TYR 59 HE1 TYR 59 -2.766 6.830 -13.224 445 HH TYR 59 HH TYR 59 0.110 8.527 -13.651 446 H LEU 60 H LEU 60 -5.307 6.523 -7.146 447 HA LEU 60 HA LEU 60 -5.068 4.253 -5.319 448 HB2 LEU 60 2HB LEU 60 -6.306 6.911 -4.601 449 HB3 LEU 60 1HB LEU 60 -6.525 5.446 -3.666 450 HG LEU 60 HG LEU 60 -3.866 6.784 -4.159 451 HD11 LEU 60 1HD1 LEU 60 -5.340 8.189 -2.806 452 HD12 LEU 60 2HD1 LEU 60 -4.018 7.527 -1.843 453 HD13 LEU 60 3HD1 LEU 60 -5.634 6.832 -1.719 454 HD21 LEU 60 3HD2 LEU 60 -4.681 4.569 -2.284 455 HD22 LEU 60 1HD2 LEU 60 -3.083 5.308 -2.378 456 HD23 LEU 60 2HD2 LEU 60 -3.709 4.384 -3.745 457 H SER 61 H SER 61 -7.336 3.634 -4.531 458 HA SER 61 HA SER 61 -9.218 3.867 -6.771 459 HB2 SER 61 2HB SER 61 -8.354 1.557 -6.161 460 HB3 SER 61 1HB SER 61 -9.209 1.729 -4.629 461 HG SER 61 HG SER 61 -10.718 2.280 -6.881 462 H LYS 62 H LYS 62 -11.088 4.871 -6.415 463 HA LYS 62 HA LYS 62 -11.490 6.151 -3.866 464 HB2 LYS 62 2HB LYS 62 -13.082 6.274 -6.431 465 HB3 LYS 62 1HB LYS 62 -13.410 7.254 -5.008 466 HG2 LYS 62 2HG LYS 62 -10.878 7.303 -6.639 467 HG3 LYS 62 1HG LYS 62 -12.173 8.502 -6.690 468 HD2 LYS 62 2HD LYS 62 -11.773 8.985 -4.297 469 HD3 LYS 62 1HD LYS 62 -10.427 7.844 -4.317 470 HE2 LYS 62 2HE LYS 62 -9.289 9.195 -5.994 471 HE3 LYS 62 1HE LYS 62 -10.647 10.320 -6.027 472 HZ1 LYS 62 3HZ LYS 62 -10.212 10.886 -3.731 473 HZ2 LYS 62 1HZ LYS 62 -8.813 11.132 -4.659 474 HZ3 LYS 62 2HZ LYS 62 -8.937 9.767 -3.657 475 H LEU 63 H LEU 63 -13.553 6.115 -2.738 476 HA LEU 63 HA LEU 63 -14.619 3.400 -2.699 477 HB2 LEU 63 2HB LEU 63 -15.651 4.078 -0.501 478 HB3 LEU 63 1HB LEU 63 -13.911 3.966 -0.543 479 HG LEU 63 HG LEU 63 -14.707 5.819 0.842 480 HD11 LEU 63 1HD1 LEU 63 -13.216 6.733 -1.603 481 HD12 LEU 63 2HD1 LEU 63 -12.524 6.027 -0.141 482 HD13 LEU 63 3HD1 LEU 63 -13.314 7.602 -0.071 483 HD21 LEU 63 3HD2 LEU 63 -15.742 7.790 -0.112 484 HD22 LEU 63 1HD2 LEU 63 -16.753 6.367 -0.353 485 HD23 LEU 63 2HD2 LEU 63 -15.805 7.012 -1.694 486 H GLU 64 H GLU 64 -15.349 6.331 -3.984 487 HA GLU 64 HA GLU 64 -17.063 6.989 -5.303 488 HB2 GLU 64 2HB GLU 64 -17.382 4.602 -5.839 489 HB3 GLU 64 1HB GLU 64 -18.459 4.445 -4.458 490 HG2 GLU 64 2HG GLU 64 -19.624 4.666 -6.619 491 HG3 GLU 64 1HG GLU 64 -20.052 5.919 -5.453 492 H HIS 65 H HIS 65 -18.903 8.275 -5.070 493 HA HIS 65 HA HIS 65 -19.538 8.714 -2.227 494 HB2 HIS 65 2HB HIS 65 -18.205 10.485 -3.360 495 HB3 HIS 65 1HB HIS 65 -19.553 10.749 -4.459 496 HD1 HIS 65 HD1 HIS 65 -19.013 10.749 -0.682 497 HD2 HIS 65 HD2 HIS 65 -21.177 12.740 -3.624 498 HE1 HIS 65 HE1 HIS 65 -20.266 12.574 0.514 499 HE2 HIS 65 HE2 HIS 65 -21.390 13.892 -1.318 500 H HIS 66 H HIS 66 -20.971 7.559 -5.012 501 HA HIS 66 HA HIS 66 -23.504 8.851 -4.742 502 HB2 HIS 66 2HB HIS 66 -24.382 7.259 -6.328 503 HB3 HIS 66 1HB HIS 66 -22.812 7.807 -6.877 504 HD1 HIS 66 HD1 HIS 66 -21.917 5.914 -8.173 505 HD2 HIS 66 HD2 HIS 66 -23.589 4.649 -4.574 506 HE1 HIS 66 HE1 HIS 66 -21.505 3.432 -8.059 507 HE2 HIS 66 HE2 HIS 66 -22.574 2.673 -5.905 508 H HIS 67 H HIS 67 -25.417 8.090 -3.857 509 HA HIS 67 HA HIS 67 -25.254 5.674 -2.197 510 HB2 HIS 67 2HB HIS 67 -26.337 8.353 -1.275 511 HB3 HIS 67 1HB HIS 67 -26.511 6.843 -0.390 512 HD1 HIS 67 HD1 HIS 67 -24.203 9.637 -0.989 513 HD2 HIS 67 HD2 HIS 67 -24.036 5.837 0.693 514 HE1 HIS 67 HE1 HIS 67 -22.066 9.574 0.341 515 HE2 HIS 67 HE2 HIS 67 -21.896 7.211 1.188 516 H HIS 68 H HIS 68 -27.363 4.716 -1.768 517 HA HIS 68 HA HIS 68 -29.122 5.225 -4.044 518 HB2 HIS 68 2HB HIS 68 -28.603 2.874 -2.304 519 HB3 HIS 68 1HB HIS 68 -30.205 3.024 -3.017 520 HD1 HIS 68 HD1 HIS 68 -30.469 2.224 -5.365 521 HD2 HIS 68 HD2 HIS 68 -26.480 2.824 -4.321 522 HE1 HIS 68 HE1 HIS 68 -29.110 1.342 -7.301 523 HE2 HIS 68 HE2 HIS 68 -26.710 1.866 -6.713 524 H HIS 69 H HIS 69 -30.620 6.706 -3.668 525 HA HIS 69 HA HIS 69 -32.115 6.778 -1.188 526 HB2 HIS 69 2HB HIS 69 -31.659 8.822 -2.586 527 HB3 HIS 69 1HB HIS 69 -32.716 8.156 -3.822 528 HD1 HIS 69 HD1 HIS 69 -32.729 10.236 -0.839 529 HD2 HIS 69 HD2 HIS 69 -35.492 7.907 -2.901 530 HE1 HIS 69 HE1 HIS 69 -34.993 10.988 -0.032 531 HE2 HIS 69 HE2 HIS 69 -36.645 9.692 -1.428 532 H HIS 70 H HIS 70 -32.284 5.430 -4.364 533 HA HIS 70 HA HIS 70 -34.183 3.479 -3.493 534 HB2 HIS 70 2HB HIS 70 -35.766 3.867 -5.416 535 HB3 HIS 70 1HB HIS 70 -35.833 5.080 -4.146 536 HD1 HIS 70 HD1 HIS 70 -34.855 4.612 -7.737 537 HD2 HIS 70 HD2 HIS 70 -35.089 7.659 -4.918 538 HE1 HIS 70 HE1 HIS 70 -34.643 6.757 -9.034 539 HE2 HIS 70 HE2 HIS 70 -35.029 8.576 -7.338 Start of MODEL 5 1 H1 MET 1 1H MET 1 -8.812 18.068 -3.105 2 H2 MET 1 2H MET 1 -8.140 16.851 -4.073 3 H3 MET 1 3H MET 1 -9.795 16.824 -3.706 4 HA MET 1 HA MET 1 -10.124 18.873 -4.932 5 HB2 MET 1 2HB MET 1 -7.177 18.518 -5.509 6 HB3 MET 1 1HB MET 1 -8.223 19.544 -6.477 7 HG2 MET 1 2HG MET 1 -7.010 20.881 -4.893 8 HG3 MET 1 1HG MET 1 -8.724 20.888 -4.483 9 HE1 MET 1 3HE MET 1 -6.445 21.871 -2.492 10 HE2 MET 1 1HE MET 1 -6.991 21.145 -0.980 11 HE3 MET 1 2HE MET 1 -8.162 21.868 -2.085 12 H ILE 2 H ILE 2 -11.465 18.038 -6.319 13 HA ILE 2 HA ILE 2 -12.482 16.624 -7.751 14 HB ILE 2 HB ILE 2 -11.546 16.419 -9.952 15 HG12 ILE 2 2HG1 ILE 2 -8.928 17.407 -8.800 16 HG13 ILE 2 1HG1 ILE 2 -9.240 15.760 -9.342 17 HG21 ILE 2 1HG2 ILE 2 -11.058 18.788 -10.415 18 HG22 ILE 2 2HG2 ILE 2 -10.883 19.069 -8.684 19 HG23 ILE 2 3HG2 ILE 2 -12.441 18.570 -9.343 20 HD11 ILE 2 3HD1 ILE 2 -9.277 18.226 -11.070 21 HD12 ILE 2 1HD1 ILE 2 -9.589 16.579 -11.614 22 HD13 ILE 2 2HD1 ILE 2 -7.993 17.018 -11.004 23 H GLY 3 H GLY 3 -11.765 14.607 -9.442 24 HA2 GLY 3 2HA GLY 3 -10.088 12.649 -9.059 25 HA3 GLY 3 1HA GLY 3 -10.936 12.546 -7.523 26 H ASP 4 H ASP 4 -11.224 12.181 -10.993 27 HA ASP 4 HA ASP 4 -13.005 9.973 -10.676 28 HB2 ASP 4 2HB ASP 4 -14.658 11.771 -10.436 29 HB3 ASP 4 1HB ASP 4 -14.134 12.472 -11.962 30 H TYR 5 H TYR 5 -11.484 12.335 -12.792 31 HA TYR 5 HA TYR 5 -11.290 10.250 -14.868 32 HB2 TYR 5 2HB TYR 5 -11.560 13.227 -15.068 33 HB3 TYR 5 1HB TYR 5 -10.759 12.336 -16.356 34 HD1 TYR 5 HD1 TYR 5 -12.026 10.658 -17.667 35 HD2 TYR 5 HD2 TYR 5 -13.939 13.162 -14.806 36 HE1 TYR 5 HE1 TYR 5 -14.205 10.137 -18.677 37 HE2 TYR 5 HE2 TYR 5 -16.127 12.642 -15.810 38 HH TYR 5 HH TYR 5 -17.059 11.861 -17.915 39 H TYR 6 H TYR 6 -9.380 9.508 -15.391 40 HA TYR 6 HA TYR 6 -7.168 9.290 -15.756 41 HB2 TYR 6 2HB TYR 6 -7.130 12.308 -15.612 42 HB3 TYR 6 1HB TYR 6 -5.857 11.291 -16.284 43 HD1 TYR 6 HD2 TYR 6 -6.729 9.589 -18.145 44 HD2 TYR 6 HD1 TYR 6 -8.644 13.234 -17.084 45 HE1 TYR 6 HE2 TYR 6 -7.874 9.611 -20.318 46 HE2 TYR 6 HE1 TYR 6 -9.800 13.264 -19.254 47 HH TYR 6 HH TYR 6 -10.042 10.610 -21.237 48 H ILE 7 H ILE 7 -8.268 9.658 -12.934 49 HA ILE 7 HA ILE 7 -5.649 9.467 -11.687 50 HB ILE 7 HB ILE 7 -6.323 11.825 -11.342 51 HG12 ILE 7 2HG1 ILE 7 -6.449 10.196 -8.794 52 HG13 ILE 7 1HG1 ILE 7 -4.967 10.624 -9.643 53 HG21 ILE 7 1HG2 ILE 7 -8.731 11.553 -11.408 54 HG22 ILE 7 2HG2 ILE 7 -8.243 12.362 -9.919 55 HG23 ILE 7 3HG2 ILE 7 -8.692 10.656 -9.889 56 HD11 ILE 7 3HD1 ILE 7 -5.314 12.088 -7.757 57 HD12 ILE 7 1HD1 ILE 7 -6.907 12.537 -8.368 58 HD13 ILE 7 2HD1 ILE 7 -5.459 12.996 -9.263 59 H ASN 8 H ASN 8 -5.661 8.166 -9.819 60 HA ASN 8 HA ASN 8 -6.310 6.484 -8.452 61 HB2 ASN 8 2HB ASN 8 -9.118 7.386 -9.135 62 HB3 ASN 8 1HB ASN 8 -8.748 6.101 -7.989 63 HD21 ASN 8 1HD2 ASN 8 -7.806 6.611 -6.024 64 HD22 ASN 8 2HD2 ASN 8 -7.812 8.230 -5.392 65 H ALA 9 H ALA 9 -8.594 6.544 -11.177 66 HA ALA 9 HA ALA 9 -9.081 5.052 -12.812 67 HB1 ALA 9 3HB ALA 9 -6.712 5.321 -13.351 68 HB2 ALA 9 1HB ALA 9 -7.260 3.677 -13.685 69 HB3 ALA 9 2HB ALA 9 -6.306 4.013 -12.240 70 H SER 10 H SER 10 -8.355 2.345 -13.116 71 HA SER 10 HA SER 10 -9.249 1.073 -10.622 72 HB2 SER 10 2HB SER 10 -10.229 0.386 -13.407 73 HB3 SER 10 1HB SER 10 -10.682 -0.445 -11.918 74 HG SER 10 HG SER 10 -11.058 2.201 -11.647 75 H ALA 11 H ALA 11 -6.645 1.485 -11.879 76 HA ALA 11 HA ALA 11 -5.769 -1.303 -11.858 77 HB1 ALA 11 3HB ALA 11 -5.898 -0.724 -14.222 78 HB2 ALA 11 1HB ALA 11 -4.213 -0.888 -13.724 79 HB3 ALA 11 2HB ALA 11 -4.918 0.715 -13.941 80 H LEU 12 H LEU 12 -3.694 -1.583 -10.989 81 HA LEU 12 HA LEU 12 -1.940 -1.138 -9.603 82 HB2 LEU 12 2HB LEU 12 -2.235 1.549 -10.914 83 HB3 LEU 12 1HB LEU 12 -1.125 1.342 -9.573 84 HG LEU 12 HG LEU 12 0.073 1.198 -11.665 85 HD11 LEU 12 1HD1 LEU 12 0.859 -0.188 -9.836 86 HD12 LEU 12 2HD1 LEU 12 1.145 -0.972 -11.390 87 HD13 LEU 12 3HD1 LEU 12 -0.190 -1.504 -10.367 88 HD21 LEU 12 3HD2 LEU 12 -1.761 -1.088 -12.355 89 HD22 LEU 12 1HD2 LEU 12 -0.357 -0.573 -13.288 90 HD23 LEU 12 2HD2 LEU 12 -1.746 0.501 -13.120 91 H ASN 13 H ASN 13 -4.688 -1.002 -8.758 92 HA ASN 13 HA ASN 13 -5.249 1.190 -7.098 93 HB2 ASN 13 2HB ASN 13 -6.297 -1.642 -7.011 94 HB3 ASN 13 1HB ASN 13 -6.977 -0.300 -6.097 95 HD21 ASN 13 1HD2 ASN 13 -8.153 -2.009 -8.174 96 HD22 ASN 13 2HD2 ASN 13 -8.711 -0.932 -9.399 97 H VAL 14 H VAL 14 -4.016 -2.063 -6.260 98 HA VAL 14 HA VAL 14 -3.003 -0.890 -3.756 99 HB VAL 14 HB VAL 14 -3.892 -3.765 -3.977 100 HG11 VAL 14 1HG1 VAL 14 -2.410 -3.224 -2.130 101 HG12 VAL 14 2HG1 VAL 14 -4.026 -3.604 -1.534 102 HG13 VAL 14 3HG1 VAL 14 -3.491 -1.926 -1.620 103 HG21 VAL 14 3HG2 VAL 14 -5.580 -1.464 -3.002 104 HG22 VAL 14 1HG2 VAL 14 -6.008 -3.174 -2.934 105 HG23 VAL 14 2HG2 VAL 14 -5.836 -2.369 -4.495 106 H ARG 15 H ARG 15 -2.070 -1.822 -6.625 107 HA ARG 15 HA ARG 15 -0.344 -4.041 -6.179 108 HB2 ARG 15 2HB ARG 15 -0.179 -2.042 -8.435 109 HB3 ARG 15 1HB ARG 15 0.488 -3.667 -8.411 110 HG2 ARG 15 2HG ARG 15 -2.040 -4.320 -8.037 111 HG3 ARG 15 1HG ARG 15 -2.305 -2.761 -8.823 112 HD2 ARG 15 2HD ARG 15 -2.291 -4.392 -10.544 113 HD3 ARG 15 1HD ARG 15 -0.750 -3.538 -10.643 114 HE ARG 15 HE ARG 15 -0.561 -5.867 -9.005 115 HH11 ARG 15 1HH1 ARG 15 -0.537 -4.773 -12.334 116 HH12 ARG 15 2HH1 ARG 15 0.285 -6.188 -12.916 117 HH21 ARG 15 1HH2 ARG 15 0.498 -7.727 -9.787 118 HH22 ARG 15 2HH2 ARG 15 0.862 -7.862 -11.481 119 H SER 16 H SER 16 2.038 -3.750 -6.977 120 HA SER 16 HA SER 16 4.135 -2.952 -6.628 121 HB2 SER 16 2HB SER 16 2.922 -0.327 -5.765 122 HB3 SER 16 1HB SER 16 4.505 -0.617 -6.479 123 HG SER 16 HG SER 16 2.022 -0.402 -7.682 124 H GLY 17 H GLY 17 3.018 -4.441 -4.637 125 HA2 GLY 17 2HA GLY 17 2.791 -3.344 -2.099 126 HA3 GLY 17 1HA GLY 17 3.223 -5.010 -2.434 127 H GLU 18 H GLU 18 5.738 -4.398 -3.758 128 HA GLU 18 HA GLU 18 7.286 -3.888 -1.345 129 HB2 GLU 18 2HB GLU 18 8.155 -4.859 -4.076 130 HB3 GLU 18 1HB GLU 18 9.235 -4.641 -2.705 131 HG2 GLU 18 2HG GLU 18 7.808 -6.286 -1.453 132 HG3 GLU 18 1HG GLU 18 6.982 -6.608 -2.976 133 H GLY 19 H GLY 19 5.886 -1.908 -3.330 134 HA2 GLY 19 2HA GLY 19 6.243 0.323 -3.768 135 HA3 GLY 19 1HA GLY 19 7.818 0.187 -3.002 136 H THR 20 H THR 20 9.391 -1.211 -4.338 137 HA THR 20 HA THR 20 9.604 0.060 -6.917 138 HB THR 20 HB THR 20 11.775 -1.246 -6.995 139 HG1 THR 20 HG1 THR 20 12.382 -2.331 -5.132 140 HG21 THR 20 3HG2 THR 20 12.880 0.169 -5.327 141 HG22 THR 20 1HG2 THR 20 11.314 0.544 -4.607 142 HG23 THR 20 2HG2 THR 20 11.685 1.085 -6.245 143 H ASN 21 H ASN 21 8.770 -3.064 -5.632 144 HA ASN 21 HA ASN 21 8.629 -4.220 -8.318 145 HB2 ASN 21 2HB ASN 21 9.768 -5.644 -6.714 146 HB3 ASN 21 1HB ASN 21 8.427 -5.503 -5.581 147 HD21 ASN 21 1HD2 ASN 21 8.242 -7.758 -5.523 148 HD22 ASN 21 2HD2 ASN 21 7.503 -8.635 -6.826 149 H TYR 22 H TYR 22 6.764 -4.218 -9.334 150 HA TYR 22 HA TYR 22 4.441 -3.217 -7.879 151 HB2 TYR 22 2HB TYR 22 4.727 -3.569 -10.862 152 HB3 TYR 22 1HB TYR 22 3.606 -2.522 -10.000 153 HD1 TYR 22 HD2 TYR 22 4.731 -0.664 -8.525 154 HD2 TYR 22 HD1 TYR 22 6.668 -2.661 -11.732 155 HE1 TYR 22 HE2 TYR 22 6.312 1.206 -8.720 156 HE2 TYR 22 HE1 TYR 22 8.262 -0.801 -11.938 157 HH TYR 22 HH TYR 22 8.505 1.684 -9.579 158 H ARG 23 H ARG 23 5.474 -6.008 -9.728 159 HA ARG 23 HA ARG 23 2.840 -6.932 -10.336 160 HB2 ARG 23 2HB ARG 23 5.473 -8.391 -10.516 161 HB3 ARG 23 1HB ARG 23 3.960 -8.916 -11.239 162 HG2 ARG 23 2HG ARG 23 3.950 -6.886 -12.631 163 HG3 ARG 23 1HG ARG 23 5.509 -6.430 -11.940 164 HD2 ARG 23 2HD ARG 23 4.909 -8.907 -13.551 165 HD3 ARG 23 1HD ARG 23 5.836 -7.506 -14.084 166 HE ARG 23 HE ARG 23 7.134 -8.370 -11.835 167 HH11 ARG 23 1HH1 ARG 23 6.241 -9.824 -14.899 168 HH12 ARG 23 2HH1 ARG 23 7.568 -10.936 -14.895 169 HH21 ARG 23 1HH2 ARG 23 8.866 -9.830 -11.825 170 HH22 ARG 23 2HH2 ARG 23 9.054 -10.962 -13.134 171 H ILE 24 H ILE 24 4.522 -7.068 -7.464 172 HA ILE 24 HA ILE 24 4.014 -9.756 -6.685 173 HB ILE 24 HB ILE 24 5.787 -8.534 -5.600 174 HG12 ILE 24 2HG1 ILE 24 3.556 -9.070 -3.626 175 HG13 ILE 24 1HG1 ILE 24 4.615 -10.296 -4.313 176 HG21 ILE 24 1HG2 ILE 24 3.648 -6.704 -4.523 177 HG22 ILE 24 2HG2 ILE 24 4.859 -6.291 -5.738 178 HG23 ILE 24 3HG2 ILE 24 5.356 -6.660 -4.086 179 HD11 ILE 24 3HD1 ILE 24 5.297 -9.685 -2.066 180 HD12 ILE 24 1HD1 ILE 24 5.472 -8.003 -2.568 181 HD13 ILE 24 2HD1 ILE 24 6.532 -9.239 -3.244 182 H ILE 25 H ILE 25 2.154 -6.786 -6.403 183 HA ILE 25 HA ILE 25 0.062 -8.289 -4.980 184 HB ILE 25 HB ILE 25 1.140 -5.550 -4.402 185 HG12 ILE 25 2HG1 ILE 25 0.517 -7.938 -2.675 186 HG13 ILE 25 1HG1 ILE 25 2.116 -7.437 -3.208 187 HG21 ILE 25 1HG2 ILE 25 -0.721 -5.139 -2.890 188 HG22 ILE 25 2HG2 ILE 25 -1.530 -6.571 -3.529 189 HG23 ILE 25 3HG2 ILE 25 -1.214 -5.190 -4.583 190 HD11 ILE 25 3HD1 ILE 25 0.300 -5.863 -1.398 191 HD12 ILE 25 1HD1 ILE 25 1.921 -5.392 -1.907 192 HD13 ILE 25 2HD1 ILE 25 1.693 -6.818 -0.892 193 H GLY 26 H GLY 26 -2.176 -7.380 -5.325 194 HA2 GLY 26 2HA GLY 26 -2.351 -6.445 -8.117 195 HA3 GLY 26 1HA GLY 26 -3.443 -7.631 -7.416 196 H ALA 27 H ALA 27 -5.400 -6.663 -7.415 197 HA ALA 27 HA ALA 27 -5.669 -4.171 -5.923 198 HB1 ALA 27 3HB ALA 27 -6.578 -4.392 -8.785 199 HB2 ALA 27 1HB ALA 27 -5.215 -3.433 -8.205 200 HB3 ALA 27 2HB ALA 27 -6.857 -3.028 -7.704 201 H LEU 28 H LEU 28 -6.992 -5.126 -4.421 202 HA LEU 28 HA LEU 28 -9.744 -5.396 -5.230 203 HB2 LEU 28 2HB LEU 28 -8.842 -7.682 -5.570 204 HB3 LEU 28 1HB LEU 28 -8.373 -7.727 -3.882 205 HG LEU 28 HG LEU 28 -10.751 -7.536 -3.233 206 HD11 LEU 28 1HD1 LEU 28 -12.498 -7.821 -4.901 207 HD12 LEU 28 2HD1 LEU 28 -11.291 -7.805 -6.187 208 HD13 LEU 28 3HD1 LEU 28 -11.565 -6.358 -5.215 209 HD21 LEU 28 3HD2 LEU 28 -11.407 -9.799 -3.891 210 HD22 LEU 28 1HD2 LEU 28 -9.714 -9.731 -3.400 211 HD23 LEU 28 2HD2 LEU 28 -10.134 -9.813 -5.112 212 HA PRO 29 HA PRO 29 -9.262 -3.846 -0.924 213 HB2 PRO 29 2HB PRO 29 -9.418 -1.203 -1.328 214 HB3 PRO 29 1HB PRO 29 -7.917 -2.088 -1.608 215 HG2 PRO 29 2HG PRO 29 -9.789 -0.907 -3.556 216 HG3 PRO 29 1HG PRO 29 -8.073 -1.304 -3.743 217 HD2 PRO 29 2HD PRO 29 -10.377 -2.843 -4.566 218 HD3 PRO 29 1HD PRO 29 -8.659 -3.193 -4.840 219 H GLN 30 H GLN 30 -11.542 -5.006 -1.463 220 HA GLN 30 HA GLN 30 -13.571 -3.089 -0.642 221 HB2 GLN 30 2HB GLN 30 -13.421 -3.512 -3.281 222 HB3 GLN 30 1HB GLN 30 -14.381 -4.917 -2.852 223 HG2 GLN 30 2HG GLN 30 -15.090 -2.047 -2.285 224 HG3 GLN 30 1HG GLN 30 -15.784 -3.061 -3.546 225 HE21 GLN 30 1HE2 GLN 30 -15.727 -2.318 -0.169 226 HE22 GLN 30 2HE2 GLN 30 -17.095 -3.283 0.278 227 H GLY 31 H GLY 31 -13.855 -6.352 -2.009 228 HA2 GLY 31 2HA GLY 31 -15.162 -7.273 0.417 229 HA3 GLY 31 1HA GLY 31 -14.973 -8.179 -1.079 230 H GLN 32 H GLN 32 -12.623 -6.592 1.020 231 HA GLN 32 HA GLN 32 -11.462 -9.017 1.979 232 HB2 GLN 32 2HB GLN 32 -10.679 -8.703 -0.507 233 HB3 GLN 32 1HB GLN 32 -9.683 -7.413 0.148 234 HG2 GLN 32 2HG GLN 32 -8.199 -9.119 0.228 235 HG3 GLN 32 1HG GLN 32 -8.933 -9.297 1.820 236 HE21 GLN 32 1HE2 GLN 32 -11.428 -10.385 0.652 237 HE22 GLN 32 2HE2 GLN 32 -11.050 -12.013 0.206 238 H LYS 33 H LYS 33 -9.788 -8.504 3.573 239 HA LYS 33 HA LYS 33 -10.179 -5.865 4.670 240 HB2 LYS 33 2HB LYS 33 -8.889 -6.601 6.570 241 HB3 LYS 33 1HB LYS 33 -10.042 -7.852 6.134 242 HG2 LYS 33 2HG LYS 33 -8.325 -9.193 5.157 243 HG3 LYS 33 1HG LYS 33 -7.142 -7.892 5.335 244 HD2 LYS 33 2HD LYS 33 -7.385 -8.017 7.774 245 HD3 LYS 33 1HD LYS 33 -8.552 -9.326 7.587 246 HE2 LYS 33 2HE LYS 33 -6.840 -10.713 6.550 247 HE3 LYS 33 1HE LYS 33 -5.672 -9.401 6.704 248 HZ1 LYS 33 3HZ LYS 33 -7.068 -10.649 9.009 249 HZ2 LYS 33 1HZ LYS 33 -5.781 -9.547 9.068 250 HZ3 LYS 33 2HZ LYS 33 -5.531 -11.119 8.477 251 H VAL 34 H VAL 34 -8.546 -6.512 2.125 252 HA VAL 34 HA VAL 34 -5.957 -5.422 2.701 253 HB VAL 34 HB VAL 34 -7.374 -5.786 0.052 254 HG11 VAL 34 1HG1 VAL 34 -5.152 -5.537 -0.946 255 HG12 VAL 34 2HG1 VAL 34 -4.485 -5.166 0.644 256 HG13 VAL 34 3HG1 VAL 34 -5.655 -4.074 -0.098 257 HG21 VAL 34 3HG2 VAL 34 -5.297 -7.474 1.443 258 HG22 VAL 34 1HG2 VAL 34 -5.889 -7.732 -0.199 259 HG23 VAL 34 2HG2 VAL 34 -6.987 -7.900 1.170 260 H GLN 35 H GLN 35 -6.086 -3.435 3.585 261 HA GLN 35 HA GLN 35 -7.221 -1.294 1.940 262 HB2 GLN 35 2HB GLN 35 -7.789 -1.749 4.872 263 HB3 GLN 35 1HB GLN 35 -8.084 -0.220 4.059 264 HG2 GLN 35 2HG GLN 35 -9.350 -2.846 3.303 265 HG3 GLN 35 1HG GLN 35 -10.102 -1.608 4.308 266 HE21 GLN 35 1HE2 GLN 35 -10.956 -2.704 1.761 267 HE22 GLN 35 2HE2 GLN 35 -11.086 -1.366 0.672 268 H VAL 36 H VAL 36 -6.530 0.874 2.777 269 HA VAL 36 HA VAL 36 -3.754 0.765 3.690 270 HB VAL 36 HB VAL 36 -4.033 2.033 1.661 271 HG11 VAL 36 1HG1 VAL 36 -5.471 4.002 1.502 272 HG12 VAL 36 2HG1 VAL 36 -6.079 3.690 3.128 273 HG13 VAL 36 3HG1 VAL 36 -6.405 2.542 1.829 274 HG21 VAL 36 3HG2 VAL 36 -2.410 2.919 3.233 275 HG22 VAL 36 1HG2 VAL 36 -3.659 3.903 3.997 276 HG23 VAL 36 2HG2 VAL 36 -3.174 4.228 2.332 277 H ILE 37 H ILE 37 -3.242 1.324 5.717 278 HA ILE 37 HA ILE 37 -5.347 2.070 7.543 279 HB ILE 37 HB ILE 37 -2.396 1.937 8.177 280 HG12 ILE 37 2HG1 ILE 37 -3.341 -0.422 9.096 281 HG13 ILE 37 1HG1 ILE 37 -4.347 -0.227 7.665 282 HG21 ILE 37 1HG2 ILE 37 -4.864 1.630 9.879 283 HG22 ILE 37 2HG2 ILE 37 -3.754 2.999 9.869 284 HG23 ILE 37 3HG2 ILE 37 -3.203 1.426 10.442 285 HD11 ILE 37 3HD1 ILE 37 -1.343 -0.248 7.739 286 HD12 ILE 37 1HD1 ILE 37 -2.325 0.020 6.299 287 HD13 ILE 37 2HD1 ILE 37 -2.394 -1.530 7.138 288 H SER 38 H SER 38 -2.229 3.462 6.645 289 HA SER 38 HA SER 38 -3.402 6.115 6.636 290 HB2 SER 38 2HB SER 38 -2.581 5.937 8.925 291 HB3 SER 38 1HB SER 38 -1.003 5.407 8.352 292 HG SER 38 HG SER 38 -1.616 7.815 8.893 293 H GLU 39 H GLU 39 -2.021 7.660 5.558 294 HA GLU 39 HA GLU 39 -0.090 6.349 3.786 295 HB2 GLU 39 2HB GLU 39 -1.036 8.010 2.005 296 HB3 GLU 39 1HB GLU 39 -1.844 6.483 2.309 297 HG2 GLU 39 2HG GLU 39 -3.470 8.217 2.088 298 HG3 GLU 39 1HG GLU 39 -3.454 7.655 3.755 299 H ASN 40 H ASN 40 1.407 7.779 2.743 300 HA ASN 40 HA ASN 40 1.753 10.375 4.048 301 HB2 ASN 40 2HB ASN 40 3.954 8.364 3.538 302 HB3 ASN 40 1HB ASN 40 4.187 9.999 4.124 303 HD21 ASN 40 1HD2 ASN 40 3.707 10.505 6.248 304 HD22 ASN 40 2HD2 ASN 40 3.383 9.293 7.436 305 H SER 41 H SER 41 3.587 11.559 2.789 306 HA SER 41 HA SER 41 2.579 11.887 0.145 307 HB2 SER 41 2HB SER 41 3.428 13.685 1.764 308 HB3 SER 41 1HB SER 41 5.047 13.185 1.287 309 HG SER 41 HG SER 41 3.100 14.557 -0.171 310 H GLY 42 H GLY 42 3.091 9.731 -0.574 311 HA2 GLY 42 2HA GLY 42 4.835 9.524 -2.572 312 HA3 GLY 42 1HA GLY 42 5.883 9.181 -1.202 313 H TRP 43 H TRP 43 5.092 7.464 0.298 314 HA TRP 43 HA TRP 43 3.688 5.353 -1.203 315 HB2 TRP 43 2HB TRP 43 5.930 5.160 0.804 316 HB3 TRP 43 1HB TRP 43 4.898 3.784 0.440 317 HD1 TRP 43 HD1 TRP 43 5.444 5.674 -2.687 318 HE1 TRP 43 HE1 TRP 43 7.274 4.555 -4.121 319 HE3 TRP 43 HE3 TRP 43 7.342 2.481 0.808 320 HZ2 TRP 43 HZ2 TRP 43 9.267 2.564 -3.795 321 HZ3 TRP 43 HZ3 TRP 43 9.208 1.003 0.176 322 HH2 TRP 43 HH2 TRP 43 10.145 1.044 -2.073 323 H SER 44 H SER 44 2.146 4.141 -0.160 324 HA SER 44 HA SER 44 1.180 5.235 2.405 325 HB2 SER 44 2HB SER 44 -0.462 3.905 0.235 326 HB3 SER 44 1HB SER 44 -1.069 4.693 1.692 327 HG SER 44 HG SER 44 0.448 6.027 -0.300 328 H LYS 45 H LYS 45 0.825 3.822 4.065 329 HA LYS 45 HA LYS 45 1.876 1.173 3.782 330 HB2 LYS 45 2HB LYS 45 2.390 2.583 5.694 331 HB3 LYS 45 1HB LYS 45 0.686 2.664 6.112 332 HG2 LYS 45 2HG LYS 45 0.649 0.326 6.625 333 HG3 LYS 45 1HG LYS 45 2.320 0.145 6.073 334 HD2 LYS 45 2HD LYS 45 1.389 1.877 8.352 335 HD3 LYS 45 1HD LYS 45 2.198 0.327 8.486 336 HE2 LYS 45 2HE LYS 45 4.193 1.172 7.507 337 HE3 LYS 45 1HE LYS 45 3.393 2.679 7.062 338 HZ1 LYS 45 3HZ LYS 45 4.772 2.981 9.021 339 HZ2 LYS 45 1HZ LYS 45 3.929 1.757 9.839 340 HZ3 LYS 45 2HZ LYS 45 3.138 3.197 9.411 341 H ILE 46 H ILE 46 0.769 -0.617 3.486 342 HA ILE 46 HA ILE 46 -2.147 -0.591 3.926 343 HB ILE 46 HB ILE 46 -2.450 -1.969 1.920 344 HG12 ILE 46 2HG1 ILE 46 0.460 -1.387 1.326 345 HG13 ILE 46 1HG1 ILE 46 -0.131 -2.925 1.948 346 HG21 ILE 46 1HG2 ILE 46 -2.758 0.418 1.715 347 HG22 ILE 46 2HG2 ILE 46 -2.042 -0.222 0.234 348 HG23 ILE 46 3HG2 ILE 46 -1.037 0.639 1.400 349 HD11 ILE 46 3HD1 ILE 46 0.243 -3.005 -0.450 350 HD12 ILE 46 1HD1 ILE 46 -0.896 -1.679 -0.682 351 HD13 ILE 46 2HD1 ILE 46 -1.462 -3.231 -0.064 352 H ASN 47 H ASN 47 -3.053 -2.848 3.941 353 HA ASN 47 HA ASN 47 -1.055 -4.853 4.761 354 HB2 ASN 47 2HB ASN 47 -2.539 -4.013 6.665 355 HB3 ASN 47 1HB ASN 47 -3.884 -4.780 5.824 356 HD21 ASN 47 1HD2 ASN 47 -1.017 -5.254 7.666 357 HD22 ASN 47 2HD2 ASN 47 -1.186 -6.962 7.911 358 H TYR 48 H TYR 48 -0.960 -6.392 3.254 359 HA TYR 48 HA TYR 48 -3.319 -6.754 1.540 360 HB2 TYR 48 2HB TYR 48 -1.069 -6.053 0.556 361 HB3 TYR 48 1HB TYR 48 -0.499 -7.668 0.950 362 HD1 TYR 48 HD1 TYR 48 -3.257 -5.970 -0.899 363 HD2 TYR 48 HD2 TYR 48 -0.654 -9.313 -0.671 364 HE1 TYR 48 HE1 TYR 48 -4.106 -6.765 -3.061 365 HE2 TYR 48 HE2 TYR 48 -1.496 -10.125 -2.830 366 HH TYR 48 HH TYR 48 -3.305 -9.898 -4.322 367 H ASN 49 H ASN 49 -4.278 -8.081 3.226 368 HA ASN 49 HA ASN 49 -4.895 -10.075 4.119 369 HB2 ASN 49 2HB ASN 49 -3.498 -10.927 1.611 370 HB3 ASN 49 1HB ASN 49 -4.083 -12.138 2.746 371 HD21 ASN 49 1HD2 ASN 49 -4.916 -11.518 0.009 372 HD22 ASN 49 2HD2 ASN 49 -6.619 -11.199 0.104 373 H GLY 50 H GLY 50 -2.788 -8.945 5.434 374 HA2 GLY 50 2HA GLY 50 -1.720 -9.828 7.338 375 HA3 GLY 50 1HA GLY 50 -1.612 -11.385 6.535 376 H GLN 51 H GLN 51 -0.510 -9.738 4.104 377 HA GLN 51 HA GLN 51 2.231 -9.762 5.141 378 HB2 GLN 51 2HB GLN 51 2.983 -9.933 2.823 379 HB3 GLN 51 1HB GLN 51 1.862 -11.221 3.229 380 HG2 GLN 51 2HG GLN 51 0.078 -9.699 2.171 381 HG3 GLN 51 1HG GLN 51 1.451 -8.851 1.461 382 HE21 GLN 51 1HE2 GLN 51 3.005 -11.347 1.307 383 HE22 GLN 51 2HE2 GLN 51 2.360 -12.213 -0.045 384 H THR 52 H THR 52 3.685 -8.093 4.638 385 HA THR 52 HA THR 52 2.361 -5.532 4.931 386 HB THR 52 HB THR 52 5.308 -6.197 5.113 387 HG1 THR 52 HG1 THR 52 3.875 -7.302 6.669 388 HG21 THR 52 3HG2 THR 52 5.476 -4.114 6.377 389 HG22 THR 52 1HG2 THR 52 3.748 -3.827 6.152 390 HG23 THR 52 2HG2 THR 52 4.832 -3.810 4.764 391 H GLY 53 H GLY 53 2.527 -3.813 3.553 392 HA2 GLY 53 2HA GLY 53 4.433 -3.825 1.385 393 HA3 GLY 53 1HA GLY 53 2.760 -4.021 0.877 394 H TYR 54 H TYR 54 4.379 -1.868 0.117 395 HA TYR 54 HA TYR 54 2.785 0.323 1.264 396 HB2 TYR 54 2HB TYR 54 5.671 0.610 0.387 397 HB3 TYR 54 1HB TYR 54 4.666 1.844 1.134 398 HD1 TYR 54 HD1 TYR 54 4.022 1.588 3.553 399 HD2 TYR 54 HD2 TYR 54 6.903 -0.922 1.687 400 HE1 TYR 54 HE1 TYR 54 4.876 0.932 5.766 401 HE2 TYR 54 HE2 TYR 54 7.766 -1.585 3.889 402 HH TYR 54 HH TYR 54 6.122 -0.928 6.793 403 H ILE 55 H ILE 55 1.984 1.742 -0.300 404 HA ILE 55 HA ILE 55 2.601 0.970 -3.079 405 HB ILE 55 HB ILE 55 0.248 1.454 -3.669 406 HG12 ILE 55 2HG1 ILE 55 -1.324 1.287 -1.550 407 HG13 ILE 55 1HG1 ILE 55 0.061 1.997 -0.729 408 HG21 ILE 55 1HG2 ILE 55 -0.697 -0.587 -2.699 409 HG22 ILE 55 2HG2 ILE 55 0.638 -0.645 -1.546 410 HG23 ILE 55 3HG2 ILE 55 0.953 -0.823 -3.272 411 HD11 ILE 55 3HD1 ILE 55 -1.380 3.180 -3.091 412 HD12 ILE 55 1HD1 ILE 55 -0.002 3.892 -2.252 413 HD13 ILE 55 2HD1 ILE 55 -1.539 3.690 -1.410 414 H GLY 56 H GLY 56 1.921 2.653 -4.701 415 HA2 GLY 56 2HA GLY 56 3.049 5.189 -3.939 416 HA3 GLY 56 1HA GLY 56 2.451 4.748 -5.532 417 H THR 57 H THR 57 1.976 6.802 -3.064 418 HA THR 57 HA THR 57 -0.727 6.691 -2.411 419 HB THR 57 HB THR 57 0.881 9.237 -2.572 420 HG1 THR 57 HG1 THR 57 1.185 8.366 -0.191 421 HG21 THR 57 3HG2 THR 57 -0.443 9.872 -0.613 422 HG22 THR 57 1HG2 THR 57 -1.288 8.323 -0.674 423 HG23 THR 57 2HG2 THR 57 -1.492 9.491 -1.978 424 H ARG 58 H ARG 58 0.683 7.685 -5.381 425 HA ARG 58 HA ARG 58 -1.327 9.538 -6.150 426 HB2 ARG 58 2HB ARG 58 0.951 8.209 -7.504 427 HB3 ARG 58 1HB ARG 58 -0.333 8.847 -8.518 428 HG2 ARG 58 2HG ARG 58 -0.056 11.036 -7.325 429 HG3 ARG 58 1HG ARG 58 1.379 10.350 -6.560 430 HD2 ARG 58 2HD ARG 58 2.477 10.103 -8.653 431 HD3 ARG 58 1HD ARG 58 1.001 10.469 -9.546 432 HE ARG 58 HE ARG 58 1.739 12.621 -7.830 433 HH11 ARG 58 1HH1 ARG 58 2.586 11.096 -10.881 434 HH12 ARG 58 2HH1 ARG 58 3.152 12.579 -11.604 435 HH21 ARG 58 1HH2 ARG 58 2.482 14.559 -8.776 436 HH22 ARG 58 2HH2 ARG 58 3.095 14.548 -10.405 437 H TYR 59 H TYR 59 -1.101 6.061 -6.268 438 HA TYR 59 HA TYR 59 -3.656 6.031 -7.715 439 HB2 TYR 59 2HB TYR 59 -1.292 4.194 -7.882 440 HB3 TYR 59 1HB TYR 59 -2.901 3.620 -8.274 441 HD1 TYR 59 HD2 TYR 59 -0.427 6.237 -9.151 442 HD2 TYR 59 HD1 TYR 59 -3.799 3.974 -10.403 443 HE1 TYR 59 HE2 TYR 59 -0.180 7.145 -11.425 444 HE2 TYR 59 HE1 TYR 59 -3.567 4.873 -12.678 445 HH TYR 59 HH TYR 59 -0.800 6.507 -13.740 446 H LEU 60 H LEU 60 -5.264 5.451 -6.500 447 HA LEU 60 HA LEU 60 -5.119 3.197 -4.717 448 HB2 LEU 60 2HB LEU 60 -5.275 5.998 -3.703 449 HB3 LEU 60 1HB LEU 60 -6.289 4.799 -2.923 450 HG LEU 60 HG LEU 60 -3.292 4.556 -3.201 451 HD11 LEU 60 1HD1 LEU 60 -3.858 6.450 -1.784 452 HD12 LEU 60 2HD1 LEU 60 -3.221 5.119 -0.817 453 HD13 LEU 60 3HD1 LEU 60 -4.956 5.438 -0.844 454 HD21 LEU 60 3HD2 LEU 60 -5.298 3.005 -1.562 455 HD22 LEU 60 1HD2 LEU 60 -3.549 2.781 -1.539 456 HD23 LEU 60 2HD2 LEU 60 -4.465 2.422 -3.003 457 H SER 61 H SER 61 -7.263 2.604 -3.904 458 HA SER 61 HA SER 61 -9.372 3.551 -5.699 459 HB2 SER 61 2HB SER 61 -9.323 1.123 -3.892 460 HB3 SER 61 1HB SER 61 -10.593 1.529 -5.045 461 HG SER 61 HG SER 61 -8.436 1.588 -6.454 462 H LYS 62 H LYS 62 -10.715 5.013 -4.964 463 HA LYS 62 HA LYS 62 -11.372 5.046 -2.100 464 HB2 LYS 62 2HB LYS 62 -10.287 7.105 -3.141 465 HB3 LYS 62 1HB LYS 62 -11.784 7.316 -4.039 466 HG2 LYS 62 2HG LYS 62 -13.023 7.706 -2.069 467 HG3 LYS 62 1HG LYS 62 -11.707 7.134 -1.042 468 HD2 LYS 62 2HD LYS 62 -10.335 9.027 -1.738 469 HD3 LYS 62 1HD LYS 62 -11.640 9.589 -2.779 470 HE2 LYS 62 2HE LYS 62 -13.050 10.011 -0.894 471 HE3 LYS 62 1HE LYS 62 -11.904 9.239 0.200 472 HZ1 LYS 62 3HZ LYS 62 -11.442 11.754 -1.323 473 HZ2 LYS 62 1HZ LYS 62 -10.315 11.002 -0.301 474 HZ3 LYS 62 2HZ LYS 62 -11.753 11.637 0.339 475 H LEU 63 H LEU 63 -13.563 5.050 -1.526 476 HA LEU 63 HA LEU 63 -15.215 3.589 -3.297 477 HB2 LEU 63 2HB LEU 63 -15.315 3.395 -0.833 478 HB3 LEU 63 1HB LEU 63 -15.976 5.017 -0.747 479 HG LEU 63 HG LEU 63 -17.954 4.251 -2.033 480 HD11 LEU 63 1HD1 LEU 63 -16.920 2.401 -3.232 481 HD12 LEU 63 2HD1 LEU 63 -18.330 1.851 -2.326 482 HD13 LEU 63 3HD1 LEU 63 -16.707 1.524 -1.716 483 HD21 LEU 63 3HD2 LEU 63 -18.962 2.957 -0.216 484 HD22 LEU 63 1HD2 LEU 63 -18.023 4.316 0.399 485 HD23 LEU 63 2HD2 LEU 63 -17.362 2.684 0.475 486 H GLU 64 H GLU 64 -15.370 6.892 -2.082 487 HA GLU 64 HA GLU 64 -16.611 8.707 -2.598 488 HB2 GLU 64 2HB GLU 64 -15.771 9.699 -4.435 489 HB3 GLU 64 1HB GLU 64 -14.739 8.292 -4.472 490 HG2 GLU 64 2HG GLU 64 -17.231 8.650 -6.120 491 HG3 GLU 64 1HG GLU 64 -15.602 8.992 -6.673 492 H HIS 65 H HIS 65 -18.253 9.441 -4.767 493 HA HIS 65 HA HIS 65 -20.076 7.189 -5.105 494 HB2 HIS 65 2HB HIS 65 -22.075 8.654 -4.814 495 HB3 HIS 65 1HB HIS 65 -21.164 8.381 -3.342 496 HD1 HIS 65 HD1 HIS 65 -22.713 10.987 -5.267 497 HD2 HIS 65 HD2 HIS 65 -19.452 10.724 -2.698 498 HE1 HIS 65 HE1 HIS 65 -22.290 13.333 -4.463 499 HE2 HIS 65 HE2 HIS 65 -20.438 13.112 -2.768 500 H HIS 66 H HIS 66 -18.655 7.310 -7.024 501 HA HIS 66 HA HIS 66 -20.097 8.818 -9.111 502 HB2 HIS 66 2HB HIS 66 -17.127 8.363 -8.844 503 HB3 HIS 66 1HB HIS 66 -17.868 8.705 -10.399 504 HD1 HIS 66 HD1 HIS 66 -18.526 11.107 -10.884 505 HD2 HIS 66 HD2 HIS 66 -17.085 10.512 -7.031 506 HE1 HIS 66 HE1 HIS 66 -18.166 13.405 -9.933 507 HE2 HIS 66 HE2 HIS 66 -17.538 13.008 -7.529 508 H HIS 67 H HIS 67 -18.307 5.958 -8.145 509 HA HIS 67 HA HIS 67 -18.076 3.880 -8.995 510 HB2 HIS 67 2HB HIS 67 -20.609 4.659 -10.411 511 HB3 HIS 67 1HB HIS 67 -19.784 3.161 -10.828 512 HD1 HIS 67 HD1 HIS 67 -20.260 1.181 -9.400 513 HD2 HIS 67 HD2 HIS 67 -21.420 4.753 -7.601 514 HE1 HIS 67 HE1 HIS 67 -21.483 0.523 -7.300 515 HE2 HIS 67 HE2 HIS 67 -22.325 2.687 -6.326 516 H HIS 68 H HIS 68 -16.165 3.994 -9.882 517 HA HIS 68 HA HIS 68 -15.277 5.710 -11.807 518 HB2 HIS 68 2HB HIS 68 -14.238 2.951 -11.147 519 HB3 HIS 68 1HB HIS 68 -13.374 4.114 -12.154 520 HD1 HIS 68 HD1 HIS 68 -13.129 6.584 -10.835 521 HD2 HIS 68 HD2 HIS 68 -13.523 3.147 -8.538 522 HE1 HIS 68 HE1 HIS 68 -12.310 7.210 -8.543 523 HE2 HIS 68 HE2 HIS 68 -12.911 5.222 -7.120 524 H HIS 69 H HIS 69 -15.056 5.805 -13.940 525 HA HIS 69 HA HIS 69 -17.294 4.877 -15.338 526 HB2 HIS 69 2HB HIS 69 -14.779 6.110 -16.468 527 HB3 HIS 69 1HB HIS 69 -16.320 5.970 -17.307 528 HD1 HIS 69 HD1 HIS 69 -18.354 7.373 -16.157 529 HD2 HIS 69 HD2 HIS 69 -14.485 8.360 -14.988 530 HE1 HIS 69 HE1 HIS 69 -18.519 9.644 -15.091 531 HE2 HIS 69 HE2 HIS 69 -16.210 10.113 -14.198 532 H HIS 70 H HIS 70 -13.956 3.760 -15.393 533 HA HIS 70 HA HIS 70 -12.960 1.933 -16.288 534 HB2 HIS 70 2HB HIS 70 -14.745 0.582 -15.350 535 HB3 HIS 70 1HB HIS 70 -15.814 0.998 -16.681 536 HD1 HIS 70 HD1 HIS 70 -12.599 -0.931 -16.047 537 HD2 HIS 70 HD2 HIS 70 -15.737 -0.742 -18.776 538 HE1 HIS 70 HE1 HIS 70 -12.294 -2.900 -17.578 539 HE2 HIS 70 HE2 HIS 70 -14.069 -2.638 -19.342 Start of MODEL 6 1 H1 MET 1 1H MET 1 -20.028 2.058 -18.361 2 H2 MET 1 2H MET 1 -21.528 2.355 -19.087 3 H3 MET 1 3H MET 1 -21.074 3.213 -17.691 4 HA MET 1 HA MET 1 -19.729 3.364 -20.328 5 HB2 MET 1 2HB MET 1 -21.959 4.406 -20.354 6 HB3 MET 1 1HB MET 1 -21.533 5.357 -18.936 7 HG2 MET 1 2HG MET 1 -19.798 6.496 -20.205 8 HG3 MET 1 1HG MET 1 -20.188 5.524 -21.624 9 HE1 MET 1 3HE MET 1 -21.463 9.129 -22.548 10 HE2 MET 1 1HE MET 1 -20.385 7.809 -22.998 11 HE3 MET 1 2HE MET 1 -20.066 8.750 -21.540 12 H ILE 2 H ILE 2 -17.725 4.064 -20.225 13 HA ILE 2 HA ILE 2 -16.887 5.596 -17.853 14 HB ILE 2 HB ILE 2 -14.641 4.518 -18.067 15 HG12 ILE 2 2HG1 ILE 2 -16.118 2.575 -19.856 16 HG13 ILE 2 1HG1 ILE 2 -14.896 3.724 -20.391 17 HG21 ILE 2 1HG2 ILE 2 -16.211 3.832 -16.342 18 HG22 ILE 2 2HG2 ILE 2 -15.280 2.452 -16.918 19 HG23 ILE 2 3HG2 ILE 2 -16.947 2.674 -17.450 20 HD11 ILE 2 3HD1 ILE 2 -14.461 1.430 -18.491 21 HD12 ILE 2 1HD1 ILE 2 -13.236 2.591 -18.996 22 HD13 ILE 2 2HD1 ILE 2 -13.959 1.502 -20.180 23 H GLY 3 H GLY 3 -15.046 6.981 -18.213 24 HA2 GLY 3 2HA GLY 3 -13.818 7.498 -20.650 25 HA3 GLY 3 1HA GLY 3 -15.284 8.471 -20.618 26 H ASP 4 H ASP 4 -14.834 8.465 -17.541 27 HA ASP 4 HA ASP 4 -13.240 10.904 -17.549 28 HB2 ASP 4 2HB ASP 4 -14.967 9.598 -15.442 29 HB3 ASP 4 1HB ASP 4 -13.994 11.029 -15.129 30 H TYR 5 H TYR 5 -11.164 10.071 -17.837 31 HA TYR 5 HA TYR 5 -10.119 8.323 -15.745 32 HB2 TYR 5 2HB TYR 5 -8.907 9.374 -18.303 33 HB3 TYR 5 1HB TYR 5 -8.007 8.426 -17.125 34 HD1 TYR 5 HD2 TYR 5 -10.701 8.343 -19.627 35 HD2 TYR 5 HD1 TYR 5 -8.370 6.058 -16.895 36 HE1 TYR 5 HE2 TYR 5 -11.516 6.272 -20.670 37 HE2 TYR 5 HE1 TYR 5 -9.171 3.982 -17.941 38 HH TYR 5 HH TYR 5 -10.919 3.150 -19.274 39 H TYR 6 H TYR 6 -10.742 10.306 -14.370 40 HA TYR 6 HA TYR 6 -8.935 12.552 -14.489 41 HB2 TYR 6 2HB TYR 6 -10.240 13.344 -12.517 42 HB3 TYR 6 1HB TYR 6 -11.239 12.979 -13.917 43 HD1 TYR 6 HD1 TYR 6 -12.759 11.059 -13.887 44 HD2 TYR 6 HD2 TYR 6 -10.379 12.009 -10.493 45 HE1 TYR 6 HE1 TYR 6 -14.165 9.595 -12.498 46 HE2 TYR 6 HE2 TYR 6 -11.774 10.545 -9.099 47 HH TYR 6 HH TYR 6 -14.084 8.373 -10.436 48 H ILE 7 H ILE 7 -7.601 10.109 -14.054 49 HA ILE 7 HA ILE 7 -5.925 9.222 -12.800 50 HB ILE 7 HB ILE 7 -6.448 11.462 -10.829 51 HG12 ILE 7 2HG1 ILE 7 -5.808 12.317 -13.037 52 HG13 ILE 7 1HG1 ILE 7 -4.522 12.574 -11.864 53 HG21 ILE 7 1HG2 ILE 7 -4.206 10.998 -9.991 54 HG22 ILE 7 2HG2 ILE 7 -4.065 9.646 -11.115 55 HG23 ILE 7 3HG2 ILE 7 -5.259 9.593 -9.817 56 HD11 ILE 7 3HD1 ILE 7 -3.313 10.659 -12.766 57 HD12 ILE 7 1HD1 ILE 7 -3.643 11.863 -14.012 58 HD13 ILE 7 2HD1 ILE 7 -4.610 10.391 -13.932 59 H ASN 8 H ASN 8 -5.739 7.692 -11.170 60 HA ASN 8 HA ASN 8 -6.347 6.203 -9.570 61 HB2 ASN 8 2HB ASN 8 -8.604 8.122 -8.956 62 HB3 ASN 8 1HB ASN 8 -8.250 6.669 -8.030 63 HD21 ASN 8 1HD2 ASN 8 -7.460 9.940 -8.597 64 HD22 ASN 8 2HD2 ASN 8 -6.203 10.074 -7.414 65 H ALA 9 H ALA 9 -8.901 7.422 -11.645 66 HA ALA 9 HA ALA 9 -10.650 5.213 -11.344 67 HB1 ALA 9 3HB ALA 9 -10.515 7.202 -13.603 68 HB2 ALA 9 1HB ALA 9 -11.375 7.439 -12.082 69 HB3 ALA 9 2HB ALA 9 -11.881 6.167 -13.192 70 H SER 10 H SER 10 -7.677 5.189 -12.725 71 HA SER 10 HA SER 10 -8.157 3.607 -15.042 72 HB2 SER 10 2HB SER 10 -5.642 3.812 -13.370 73 HB3 SER 10 1HB SER 10 -5.754 3.229 -15.032 74 HG SER 10 HG SER 10 -5.863 5.217 -15.742 75 H ALA 11 H ALA 11 -7.670 2.967 -11.642 76 HA ALA 11 HA ALA 11 -8.102 1.174 -10.341 77 HB1 ALA 11 3HB ALA 11 -9.490 -0.620 -11.119 78 HB2 ALA 11 1HB ALA 11 -9.187 -0.178 -12.800 79 HB3 ALA 11 2HB ALA 11 -10.102 0.908 -11.753 80 H LEU 12 H LEU 12 -6.519 0.411 -13.391 81 HA LEU 12 HA LEU 12 -5.411 -2.047 -12.359 82 HB2 LEU 12 2HB LEU 12 -4.801 -0.633 -14.952 83 HB3 LEU 12 1HB LEU 12 -4.433 -2.300 -14.559 84 HG LEU 12 HG LEU 12 -7.184 -1.121 -14.957 85 HD11 LEU 12 1HD1 LEU 12 -5.591 -3.104 -16.575 86 HD12 LEU 12 2HD1 LEU 12 -5.954 -1.438 -17.026 87 HD13 LEU 12 3HD1 LEU 12 -7.257 -2.619 -16.892 88 HD21 LEU 12 3HD2 LEU 12 -7.988 -3.438 -14.729 89 HD22 LEU 12 1HD2 LEU 12 -7.275 -2.826 -13.236 90 HD23 LEU 12 2HD2 LEU 12 -6.363 -3.939 -14.257 91 H ASN 13 H ASN 13 -4.601 0.586 -11.124 92 HA ASN 13 HA ASN 13 -1.721 0.496 -11.771 93 HB2 ASN 13 2HB ASN 13 -3.169 2.601 -12.331 94 HB3 ASN 13 1HB ASN 13 -3.024 2.929 -10.608 95 HD21 ASN 13 1HD2 ASN 13 -0.946 3.336 -9.738 96 HD22 ASN 13 2HD2 ASN 13 0.347 3.877 -10.748 97 H VAL 14 H VAL 14 -3.653 -0.642 -9.483 98 HA VAL 14 HA VAL 14 -2.495 0.619 -7.149 99 HB VAL 14 HB VAL 14 -4.271 -1.822 -7.152 100 HG11 VAL 14 1HG1 VAL 14 -4.967 -0.951 -4.956 101 HG12 VAL 14 2HG1 VAL 14 -3.814 0.373 -5.131 102 HG13 VAL 14 3HG1 VAL 14 -3.237 -1.290 -5.022 103 HG21 VAL 14 3HG2 VAL 14 -6.196 -0.321 -6.960 104 HG22 VAL 14 1HG2 VAL 14 -5.369 -0.115 -8.504 105 HG23 VAL 14 2HG2 VAL 14 -5.139 1.067 -7.216 106 H ARG 15 H ARG 15 -0.412 -0.377 -8.504 107 HA ARG 15 HA ARG 15 0.215 -2.910 -7.148 108 HB2 ARG 15 2HB ARG 15 1.767 -3.314 -9.140 109 HB3 ARG 15 1HB ARG 15 0.038 -3.515 -9.389 110 HG2 ARG 15 2HG ARG 15 -0.032 -1.217 -10.333 111 HG3 ARG 15 1HG ARG 15 1.729 -1.167 -10.214 112 HD2 ARG 15 2HD ARG 15 1.943 -3.009 -11.722 113 HD3 ARG 15 1HD ARG 15 0.201 -3.271 -11.731 114 HE ARG 15 HE ARG 15 1.271 -0.722 -12.717 115 HH11 ARG 15 1HH1 ARG 15 -0.312 -3.771 -13.354 116 HH12 ARG 15 2HH1 ARG 15 -0.915 -3.290 -14.909 117 HH21 ARG 15 1HH2 ARG 15 0.506 -0.075 -14.755 118 HH22 ARG 15 2HH2 ARG 15 -0.428 -1.185 -15.717 119 H SER 16 H SER 16 1.072 -1.720 -5.420 120 HA SER 16 HA SER 16 2.781 -0.938 -4.150 121 HB2 SER 16 2HB SER 16 4.543 -1.741 -6.473 122 HB3 SER 16 1HB SER 16 5.017 -1.584 -4.781 123 HG SER 16 HG SER 16 3.746 -3.653 -6.073 124 H GLY 17 H GLY 17 1.476 0.850 -6.145 125 HA2 GLY 17 2HA GLY 17 1.916 3.260 -6.019 126 HA3 GLY 17 1HA GLY 17 3.611 2.886 -6.307 127 H GLU 18 H GLU 18 3.847 4.067 -8.175 128 HA GLU 18 HA GLU 18 2.101 4.065 -10.366 129 HB2 GLU 18 2HB GLU 18 5.098 4.478 -10.305 130 HB3 GLU 18 1HB GLU 18 4.059 4.869 -11.667 131 HG2 GLU 18 2HG GLU 18 3.812 6.085 -8.924 132 HG3 GLU 18 1HG GLU 18 4.667 6.822 -10.280 133 H GLY 19 H GLY 19 4.495 1.790 -9.335 134 HA2 GLY 19 2HA GLY 19 3.705 -0.456 -10.488 135 HA3 GLY 19 1HA GLY 19 4.457 0.343 -11.864 136 H THR 20 H THR 20 5.155 -0.372 -8.452 137 HA THR 20 HA THR 20 7.992 -0.369 -9.028 138 HB THR 20 HB THR 20 6.710 -0.977 -6.366 139 HG1 THR 20 HG1 THR 20 6.181 1.069 -6.195 140 HG21 THR 20 3HG2 THR 20 9.107 -1.410 -6.551 141 HG22 THR 20 1HG2 THR 20 8.800 -0.035 -5.487 142 HG23 THR 20 2HG2 THR 20 9.370 0.231 -7.136 143 H ASN 21 H ASN 21 5.836 -2.631 -7.314 144 HA ASN 21 HA ASN 21 7.305 -4.842 -8.577 145 HB2 ASN 21 2HB ASN 21 6.397 -4.541 -5.725 146 HB3 ASN 21 1HB ASN 21 6.588 -6.141 -6.439 147 HD21 ASN 21 1HD2 ASN 21 8.803 -5.479 -8.105 148 HD22 ASN 21 2HD2 ASN 21 10.176 -5.263 -7.079 149 H TYR 22 H TYR 22 6.098 -6.284 -9.626 150 HA TYR 22 HA TYR 22 3.272 -5.536 -9.883 151 HB2 TYR 22 2HB TYR 22 4.685 -7.400 -11.756 152 HB3 TYR 22 1HB TYR 22 3.367 -6.285 -12.084 153 HD1 TYR 22 HD2 TYR 22 4.185 -3.680 -11.463 154 HD2 TYR 22 HD1 TYR 22 6.635 -6.883 -12.834 155 HE1 TYR 22 HE2 TYR 22 5.796 -2.062 -12.359 156 HE2 TYR 22 HE1 TYR 22 8.254 -5.263 -13.726 157 HH TYR 22 HH TYR 22 8.144 -1.940 -12.960 158 H ARG 23 H ARG 23 4.835 -7.630 -8.052 159 HA ARG 23 HA ARG 23 3.070 -9.908 -8.631 160 HB2 ARG 23 2HB ARG 23 5.645 -9.800 -7.061 161 HB3 ARG 23 1HB ARG 23 4.650 -11.235 -7.251 162 HG2 ARG 23 2HG ARG 23 4.995 -11.089 -9.700 163 HG3 ARG 23 1HG ARG 23 6.102 -9.743 -9.419 164 HD2 ARG 23 2HD ARG 23 7.304 -11.858 -9.678 165 HD3 ARG 23 1HD ARG 23 7.530 -11.172 -8.070 166 HE ARG 23 HE ARG 23 5.355 -12.975 -8.045 167 HH11 ARG 23 1HH1 ARG 23 8.851 -12.915 -8.205 168 HH12 ARG 23 2HH1 ARG 23 9.036 -14.500 -7.504 169 HH21 ARG 23 1HH2 ARG 23 5.577 -15.038 -7.138 170 HH22 ARG 23 2HH2 ARG 23 7.160 -15.715 -6.899 171 H ILE 24 H ILE 24 4.468 -8.165 -5.864 172 HA ILE 24 HA ILE 24 2.959 -9.435 -3.889 173 HB ILE 24 HB ILE 24 4.932 -8.255 -3.255 174 HG12 ILE 24 2HG1 ILE 24 2.523 -6.801 -2.138 175 HG13 ILE 24 1HG1 ILE 24 3.149 -8.340 -1.560 176 HG21 ILE 24 1HG2 ILE 24 3.590 -5.741 -4.231 177 HG22 ILE 24 2HG2 ILE 24 4.969 -6.552 -4.975 178 HG23 ILE 24 3HG2 ILE 24 5.132 -5.812 -3.382 179 HD11 ILE 24 3HD1 ILE 24 5.221 -7.244 -0.886 180 HD12 ILE 24 1HD1 ILE 24 3.815 -6.516 -0.109 181 HD13 ILE 24 2HD1 ILE 24 4.592 -5.703 -1.467 182 H ILE 25 H ILE 25 2.316 -6.478 -5.707 183 HA ILE 25 HA ILE 25 -0.475 -6.577 -4.824 184 HB ILE 25 HB ILE 25 1.080 -3.997 -4.982 185 HG12 ILE 25 2HG1 ILE 25 0.282 -5.494 -2.496 186 HG13 ILE 25 1HG1 ILE 25 1.921 -5.407 -3.131 187 HG21 ILE 25 1HG2 ILE 25 -1.627 -4.602 -3.864 188 HG22 ILE 25 2HG2 ILE 25 -1.284 -3.742 -5.366 189 HG23 ILE 25 3HG2 ILE 25 -0.822 -3.035 -3.817 190 HD11 ILE 25 3HD1 ILE 25 1.939 -2.995 -2.767 191 HD12 ILE 25 1HD1 ILE 25 1.592 -3.870 -1.273 192 HD13 ILE 25 2HD1 ILE 25 0.287 -3.074 -2.152 193 H GLY 26 H GLY 26 -1.819 -5.033 -6.380 194 HA2 GLY 26 2HA GLY 26 -0.902 -4.560 -8.969 195 HA3 GLY 26 1HA GLY 26 -1.467 -6.224 -8.908 196 H ALA 27 H ALA 27 -3.015 -5.423 -10.529 197 HA ALA 27 HA ALA 27 -4.944 -3.448 -9.686 198 HB1 ALA 27 3HB ALA 27 -5.921 -3.776 -11.892 199 HB2 ALA 27 1HB ALA 27 -4.852 -5.150 -12.169 200 HB3 ALA 27 2HB ALA 27 -4.178 -3.529 -12.000 201 H LEU 28 H LEU 28 -5.952 -4.387 -7.923 202 HA LEU 28 HA LEU 28 -8.399 -5.577 -8.567 203 HB2 LEU 28 2HB LEU 28 -8.281 -7.688 -7.345 204 HB3 LEU 28 1HB LEU 28 -7.205 -7.679 -8.722 205 HG LEU 28 HG LEU 28 -6.209 -7.159 -5.927 206 HD11 LEU 28 1HD1 LEU 28 -6.473 -9.800 -7.356 207 HD12 LEU 28 2HD1 LEU 28 -7.334 -9.304 -5.898 208 HD13 LEU 28 3HD1 LEU 28 -5.586 -9.535 -5.855 209 HD21 LEU 28 3HD2 LEU 28 -4.707 -6.533 -7.750 210 HD22 LEU 28 1HD2 LEU 28 -4.849 -8.152 -8.431 211 HD23 LEU 28 2HD2 LEU 28 -4.083 -7.922 -6.860 212 HA PRO 29 HA PRO 29 -8.210 -3.251 -4.643 213 HB2 PRO 29 2HB PRO 29 -9.707 -1.152 -5.375 214 HB3 PRO 29 1HB PRO 29 -8.010 -1.289 -5.845 215 HG2 PRO 29 2HG PRO 29 -10.462 -1.700 -7.469 216 HG3 PRO 29 1HG PRO 29 -8.868 -1.111 -7.965 217 HD2 PRO 29 2HD PRO 29 -9.883 -3.736 -8.265 218 HD3 PRO 29 1HD PRO 29 -8.220 -3.194 -8.554 219 H GLN 30 H GLN 30 -9.464 -5.021 -3.787 220 HA GLN 30 HA GLN 30 -12.150 -4.317 -3.134 221 HB2 GLN 30 2HB GLN 30 -12.394 -5.301 -5.436 222 HB3 GLN 30 1HB GLN 30 -11.742 -6.806 -4.806 223 HG2 GLN 30 2HG GLN 30 -13.654 -6.780 -3.151 224 HG3 GLN 30 1HG GLN 30 -14.340 -5.475 -4.120 225 HE21 GLN 30 1HE2 GLN 30 -15.343 -8.149 -3.593 226 HE22 GLN 30 2HE2 GLN 30 -15.566 -8.891 -5.140 227 H GLY 31 H GLY 31 -12.988 -5.653 -1.461 228 HA2 GLY 31 2HA GLY 31 -13.041 -7.470 -0.013 229 HA3 GLY 31 1HA GLY 31 -11.542 -8.048 -0.716 230 H GLN 32 H GLN 32 -11.675 -8.337 1.854 231 HA GLN 32 HA GLN 32 -10.565 -6.002 3.205 232 HB2 GLN 32 2HB GLN 32 -11.327 -8.735 4.248 233 HB3 GLN 32 1HB GLN 32 -10.731 -7.412 5.243 234 HG2 GLN 32 2HG GLN 32 -13.260 -7.360 3.608 235 HG3 GLN 32 1HG GLN 32 -13.167 -7.647 5.346 236 HE21 GLN 32 1HE2 GLN 32 -12.639 -5.955 6.716 237 HE22 GLN 32 2HE2 GLN 32 -12.713 -4.293 6.213 238 H LYS 33 H LYS 33 -9.314 -8.163 1.223 239 HA LYS 33 HA LYS 33 -7.099 -9.231 2.620 240 HB2 LYS 33 2HB LYS 33 -6.132 -9.659 0.410 241 HB3 LYS 33 1HB LYS 33 -7.819 -10.146 0.471 242 HG2 LYS 33 2HG LYS 33 -8.459 -8.093 -0.699 243 HG3 LYS 33 1HG LYS 33 -6.765 -7.603 -0.752 244 HD2 LYS 33 2HD LYS 33 -6.204 -9.485 -2.135 245 HD3 LYS 33 1HD LYS 33 -7.835 -10.142 -1.979 246 HE2 LYS 33 2HE LYS 33 -7.539 -9.038 -4.134 247 HE3 LYS 33 1HE LYS 33 -8.732 -8.191 -3.150 248 HZ1 LYS 33 3HZ LYS 33 -7.037 -6.573 -2.560 249 HZ2 LYS 33 1HZ LYS 33 -7.228 -6.650 -4.241 250 HZ3 LYS 33 2HZ LYS 33 -5.893 -7.385 -3.504 251 H VAL 34 H VAL 34 -7.808 -6.082 1.578 252 HA VAL 34 HA VAL 34 -5.174 -5.212 2.427 253 HB VAL 34 HB VAL 34 -4.799 -5.363 0.058 254 HG11 VAL 34 1HG1 VAL 34 -6.162 -4.176 -1.589 255 HG12 VAL 34 2HG1 VAL 34 -7.272 -3.681 -0.311 256 HG13 VAL 34 3HG1 VAL 34 -7.107 -5.387 -0.722 257 HG21 VAL 34 3HG2 VAL 34 -3.833 -3.437 1.166 258 HG22 VAL 34 1HG2 VAL 34 -5.304 -2.509 0.878 259 HG23 VAL 34 2HG2 VAL 34 -4.302 -3.016 -0.482 260 H GLN 35 H GLN 35 -5.436 -3.654 3.843 261 HA GLN 35 HA GLN 35 -7.620 -1.734 3.447 262 HB2 GLN 35 2HB GLN 35 -8.161 -3.368 5.272 263 HB3 GLN 35 1HB GLN 35 -6.739 -2.800 6.136 264 HG2 GLN 35 2HG GLN 35 -7.712 -0.533 6.183 265 HG3 GLN 35 1HG GLN 35 -9.159 -1.170 5.400 266 HE21 GLN 35 1HE2 GLN 35 -7.312 -1.021 8.322 267 HE22 GLN 35 2HE2 GLN 35 -8.517 -1.701 9.366 268 H VAL 36 H VAL 36 -7.001 0.331 3.557 269 HA VAL 36 HA VAL 36 -4.222 0.933 3.859 270 HB VAL 36 HB VAL 36 -5.473 2.152 2.198 271 HG11 VAL 36 1HG1 VAL 36 -7.251 3.735 2.785 272 HG12 VAL 36 2HG1 VAL 36 -7.170 3.193 4.461 273 HG13 VAL 36 3HG1 VAL 36 -7.686 2.075 3.198 274 HG21 VAL 36 3HG2 VAL 36 -4.932 4.473 2.821 275 HG22 VAL 36 1HG2 VAL 36 -3.624 3.354 3.207 276 HG23 VAL 36 2HG2 VAL 36 -4.681 3.951 4.488 277 H ILE 37 H ILE 37 -3.182 1.514 5.652 278 HA ILE 37 HA ILE 37 -4.698 1.931 8.096 279 HB ILE 37 HB ILE 37 -1.702 1.891 7.689 280 HG12 ILE 37 2HG1 ILE 37 -2.983 -0.355 9.082 281 HG13 ILE 37 1HG1 ILE 37 -3.419 -0.228 7.381 282 HG21 ILE 37 1HG2 ILE 37 -1.579 1.566 10.098 283 HG22 ILE 37 2HG2 ILE 37 -3.335 1.675 10.212 284 HG23 ILE 37 3HG2 ILE 37 -2.397 3.078 9.705 285 HD11 ILE 37 3HD1 ILE 37 -0.625 -0.412 8.486 286 HD12 ILE 37 1HD1 ILE 37 -1.051 -0.262 6.780 287 HD13 ILE 37 2HD1 ILE 37 -1.527 -1.699 7.684 288 H SER 38 H SER 38 -2.087 3.615 6.377 289 HA SER 38 HA SER 38 -3.327 6.104 6.269 290 HB2 SER 38 2HB SER 38 -3.006 6.055 8.761 291 HB3 SER 38 1HB SER 38 -1.269 5.979 8.493 292 HG SER 38 HG SER 38 -3.049 8.065 7.734 293 H GLU 39 H GLU 39 -1.890 7.769 5.509 294 HA GLU 39 HA GLU 39 0.144 6.610 3.802 295 HB2 GLU 39 2HB GLU 39 -0.575 9.531 3.940 296 HB3 GLU 39 1HB GLU 39 0.106 8.636 2.596 297 HG2 GLU 39 2HG GLU 39 -2.051 8.917 1.897 298 HG3 GLU 39 1HG GLU 39 -2.150 7.338 2.673 299 H ASN 40 H ASN 40 2.339 7.153 3.844 300 HA ASN 40 HA ASN 40 3.246 9.034 5.876 301 HB2 ASN 40 2HB ASN 40 3.194 6.846 7.037 302 HB3 ASN 40 1HB ASN 40 4.272 6.187 5.813 303 HD21 ASN 40 1HD2 ASN 40 3.971 8.331 8.531 304 HD22 ASN 40 2HD2 ASN 40 5.670 8.557 8.801 305 H SER 41 H SER 41 4.416 10.366 4.749 306 HA SER 41 HA SER 41 6.057 11.218 3.442 307 HB2 SER 41 2HB SER 41 7.416 9.779 4.975 308 HB3 SER 41 1HB SER 41 7.342 8.499 3.766 309 HG SER 41 HG SER 41 8.823 9.474 2.645 310 H GLY 42 H GLY 42 4.113 10.817 1.853 311 HA2 GLY 42 2HA GLY 42 3.937 10.878 -0.482 312 HA3 GLY 42 1HA GLY 42 5.400 9.917 -0.595 313 H TRP 43 H TRP 43 4.993 7.656 0.585 314 HA TRP 43 HA TRP 43 2.812 6.467 -0.935 315 HB2 TRP 43 2HB TRP 43 5.309 5.424 0.325 316 HB3 TRP 43 1HB TRP 43 3.972 4.308 0.061 317 HD1 TRP 43 HD1 TRP 43 3.769 6.649 -2.700 318 HE1 TRP 43 HE1 TRP 43 4.908 5.728 -4.823 319 HE3 TRP 43 HE3 TRP 43 6.434 2.820 -0.591 320 HZ2 TRP 43 HZ2 TRP 43 6.694 3.655 -5.498 321 HZ3 TRP 43 HZ3 TRP 43 7.827 1.414 -2.051 322 HH2 TRP 43 HH2 TRP 43 7.953 1.824 -4.458 323 H SER 44 H SER 44 1.465 4.800 0.062 324 HA SER 44 HA SER 44 0.749 5.592 2.799 325 HB2 SER 44 2HB SER 44 -0.958 5.840 0.936 326 HB3 SER 44 1HB SER 44 -0.980 4.083 0.828 327 HG SER 44 HG SER 44 -2.166 5.729 2.643 328 H LYS 45 H LYS 45 0.495 4.057 4.401 329 HA LYS 45 HA LYS 45 1.881 1.560 3.948 330 HB2 LYS 45 2HB LYS 45 0.994 3.114 6.339 331 HB3 LYS 45 1HB LYS 45 1.345 1.403 6.503 332 HG2 LYS 45 2HG LYS 45 3.500 2.366 5.087 333 HG3 LYS 45 1HG LYS 45 3.142 3.658 6.235 334 HD2 LYS 45 2HD LYS 45 4.729 2.116 7.185 335 HD3 LYS 45 1HD LYS 45 3.209 2.015 8.069 336 HE2 LYS 45 2HE LYS 45 2.641 -0.015 6.873 337 HE3 LYS 45 1HE LYS 45 4.100 0.124 5.892 338 HZ1 LYS 45 3HZ LYS 45 3.877 -0.504 8.778 339 HZ2 LYS 45 1HZ LYS 45 5.332 0.047 8.102 340 HZ3 LYS 45 2HZ LYS 45 4.641 -1.403 7.562 341 H ILE 46 H ILE 46 0.940 -0.338 3.735 342 HA ILE 46 HA ILE 46 -1.836 -0.704 4.589 343 HB ILE 46 HB ILE 46 -2.497 -1.715 2.448 344 HG12 ILE 46 2HG1 ILE 46 0.066 -0.577 1.322 345 HG13 ILE 46 1HG1 ILE 46 -0.159 -2.277 1.725 346 HG21 ILE 46 1HG2 ILE 46 -2.765 0.346 1.160 347 HG22 ILE 46 2HG2 ILE 46 -1.542 1.130 2.159 348 HG23 ILE 46 3HG2 ILE 46 -3.070 0.615 2.876 349 HD11 ILE 46 3HD1 ILE 46 -0.457 -1.882 -0.652 350 HD12 ILE 46 1HD1 ILE 46 -1.733 -0.714 -0.309 351 HD13 ILE 46 2HD1 ILE 46 -1.965 -2.416 0.089 352 H ASN 47 H ASN 47 -2.510 -2.949 4.511 353 HA ASN 47 HA ASN 47 -0.259 -4.849 4.500 354 HB2 ASN 47 2HB ASN 47 -1.410 -4.723 6.680 355 HB3 ASN 47 1HB ASN 47 -2.944 -5.073 5.894 356 HD21 ASN 47 1HD2 ASN 47 0.066 -6.363 7.007 357 HD22 ASN 47 2HD2 ASN 47 -0.330 -8.031 6.799 358 H TYR 48 H TYR 48 -0.212 -6.112 2.741 359 HA TYR 48 HA TYR 48 -2.716 -6.381 1.218 360 HB2 TYR 48 2HB TYR 48 -0.556 -5.195 0.254 361 HB3 TYR 48 1HB TYR 48 -0.048 -6.854 -0.048 362 HD1 TYR 48 HD1 TYR 48 -2.634 -4.341 -0.810 363 HD2 TYR 48 HD2 TYR 48 -1.010 -8.128 -1.823 364 HE1 TYR 48 HE1 TYR 48 -4.042 -4.396 -2.817 365 HE2 TYR 48 HE2 TYR 48 -2.411 -8.196 -3.841 366 HH TYR 48 HH TYR 48 -3.996 -5.534 -5.077 367 H ASN 49 H ASN 49 -3.579 -8.247 1.793 368 HA ASN 49 HA ASN 49 -3.947 -10.478 1.902 369 HB2 ASN 49 2HB ASN 49 -2.770 -10.270 -0.416 370 HB3 ASN 49 1HB ASN 49 -1.396 -11.006 0.402 371 HD21 ASN 49 1HD2 ASN 49 -1.514 -12.880 -0.824 372 HD22 ASN 49 2HD2 ASN 49 -2.775 -14.047 -0.614 373 H GLY 50 H GLY 50 -2.451 -9.196 3.991 374 HA2 GLY 50 2HA GLY 50 -1.857 -10.213 6.041 375 HA3 GLY 50 1HA GLY 50 -1.321 -11.631 5.153 376 H GLN 51 H GLN 51 0.144 -9.612 3.295 377 HA GLN 51 HA GLN 51 2.432 -9.269 5.107 378 HB2 GLN 51 2HB GLN 51 3.796 -9.131 2.977 379 HB3 GLN 51 1HB GLN 51 3.122 -10.697 3.379 380 HG2 GLN 51 2HG GLN 51 1.267 -10.225 1.777 381 HG3 GLN 51 1HG GLN 51 2.138 -8.770 1.294 382 HE21 GLN 51 1HE2 GLN 51 4.058 -8.971 0.134 383 HE22 GLN 51 2HE2 GLN 51 4.504 -10.443 -0.651 384 H THR 52 H THR 52 3.338 -7.332 5.409 385 HA THR 52 HA THR 52 1.685 -5.073 4.817 386 HB THR 52 HB THR 52 4.443 -4.996 6.035 387 HG1 THR 52 HG1 THR 52 3.508 -6.349 7.422 388 HG21 THR 52 3HG2 THR 52 3.533 -3.062 7.246 389 HG22 THR 52 1HG2 THR 52 1.998 -3.262 6.398 390 HG23 THR 52 2HG2 THR 52 3.450 -2.824 5.498 391 H GLY 53 H GLY 53 1.917 -3.557 3.266 392 HA2 GLY 53 2HA GLY 53 4.406 -3.509 1.715 393 HA3 GLY 53 1HA GLY 53 2.893 -3.792 0.872 394 H TYR 54 H TYR 54 3.814 -1.801 -0.237 395 HA TYR 54 HA TYR 54 2.626 0.567 1.024 396 HB2 TYR 54 2HB TYR 54 5.337 0.463 -0.314 397 HB3 TYR 54 1HB TYR 54 4.501 1.950 0.117 398 HD1 TYR 54 HD2 TYR 54 6.352 -0.943 1.394 399 HD2 TYR 54 HD1 TYR 54 4.323 2.650 2.432 400 HE1 TYR 54 HE2 TYR 54 7.368 -1.023 3.629 401 HE2 TYR 54 HE1 TYR 54 5.340 2.582 4.670 402 HH TYR 54 HH TYR 54 7.943 0.661 5.443 403 H ILE 55 H ILE 55 1.631 1.964 -0.392 404 HA ILE 55 HA ILE 55 1.963 1.456 -3.256 405 HB ILE 55 HB ILE 55 -0.522 1.953 -3.541 406 HG12 ILE 55 2HG1 ILE 55 -1.853 0.987 -1.518 407 HG13 ILE 55 1HG1 ILE 55 -0.426 1.413 -0.587 408 HG21 ILE 55 1HG2 ILE 55 0.425 -0.222 -4.004 409 HG22 ILE 55 2HG2 ILE 55 -1.152 -0.401 -3.233 410 HG23 ILE 55 3HG2 ILE 55 0.320 -0.658 -2.297 411 HD11 ILE 55 3HD1 ILE 55 -2.093 3.145 -0.435 412 HD12 ILE 55 1HD1 ILE 55 -2.123 3.305 -2.192 413 HD13 ILE 55 2HD1 ILE 55 -0.671 3.740 -1.291 414 H GLY 56 H GLY 56 1.155 3.274 -4.586 415 HA2 GLY 56 2HA GLY 56 2.134 5.732 -3.452 416 HA3 GLY 56 1HA GLY 56 1.605 5.481 -5.110 417 H THR 57 H THR 57 1.016 7.577 -3.027 418 HA THR 57 HA THR 57 -1.847 7.300 -2.631 419 HB THR 57 HB THR 57 -0.169 9.766 -2.112 420 HG1 THR 57 HG1 THR 57 0.828 8.486 -0.719 421 HG21 THR 57 3HG2 THR 57 -2.725 8.751 -0.852 422 HG22 THR 57 1HG2 THR 57 -2.606 10.073 -2.013 423 HG23 THR 57 2HG2 THR 57 -1.876 10.235 -0.414 424 H ARG 58 H ARG 58 0.157 8.129 -5.116 425 HA ARG 58 HA ARG 58 -1.370 10.244 -6.298 426 HB2 ARG 58 2HB ARG 58 1.119 8.931 -6.804 427 HB3 ARG 58 1HB ARG 58 0.156 8.893 -8.275 428 HG2 ARG 58 2HG ARG 58 0.835 11.357 -6.685 429 HG3 ARG 58 1HG ARG 58 1.604 10.849 -8.190 430 HD2 ARG 58 2HD ARG 58 -0.599 10.973 -9.304 431 HD3 ARG 58 1HD ARG 58 -1.291 11.584 -7.805 432 HE ARG 58 HE ARG 58 0.935 13.085 -8.919 433 HH11 ARG 58 1HH1 ARG 58 -2.515 12.759 -8.514 434 HH12 ARG 58 2HH1 ARG 58 -2.864 14.403 -8.955 435 HH21 ARG 58 1HH2 ARG 58 0.490 15.264 -9.515 436 HH22 ARG 58 2HH2 ARG 58 -1.159 15.813 -9.541 437 H TYR 59 H TYR 59 -1.284 6.737 -6.531 438 HA TYR 59 HA TYR 59 -3.771 6.883 -8.076 439 HB2 TYR 59 2HB TYR 59 -1.239 5.689 -8.901 440 HB3 TYR 59 1HB TYR 59 -2.583 4.559 -8.970 441 HD1 TYR 59 HD2 TYR 59 -1.241 7.708 -10.292 442 HD2 TYR 59 HD1 TYR 59 -4.347 4.822 -10.579 443 HE1 TYR 59 HE2 TYR 59 -1.932 8.679 -12.445 444 HE2 TYR 59 HE1 TYR 59 -5.052 5.782 -12.727 445 HH TYR 59 HH TYR 59 -3.160 7.986 -14.473 446 H LEU 60 H LEU 60 -5.288 5.981 -6.944 447 HA LEU 60 HA LEU 60 -4.839 3.329 -5.790 448 HB2 LEU 60 2HB LEU 60 -6.311 5.557 -4.360 449 HB3 LEU 60 1HB LEU 60 -6.232 3.893 -3.829 450 HG LEU 60 HG LEU 60 -3.623 4.393 -3.832 451 HD11 LEU 60 1HD1 LEU 60 -3.198 6.683 -3.072 452 HD12 LEU 60 2HD1 LEU 60 -4.883 7.097 -3.386 453 HD13 LEU 60 3HD1 LEU 60 -3.821 6.644 -4.719 454 HD21 LEU 60 3HD2 LEU 60 -3.833 4.966 -1.453 455 HD22 LEU 60 1HD2 LEU 60 -4.913 3.649 -1.912 456 HD23 LEU 60 2HD2 LEU 60 -5.553 5.277 -1.687 457 H SER 61 H SER 61 -7.073 2.376 -5.203 458 HA SER 61 HA SER 61 -9.239 3.538 -6.763 459 HB2 SER 61 2HB SER 61 -8.399 0.636 -7.010 460 HB3 SER 61 1HB SER 61 -9.815 1.367 -7.767 461 HG SER 61 HG SER 61 -7.861 2.902 -8.484 462 H LYS 62 H LYS 62 -11.017 3.611 -5.591 463 HA LYS 62 HA LYS 62 -11.030 2.538 -2.950 464 HB2 LYS 62 2HB LYS 62 -12.122 4.725 -3.964 465 HB3 LYS 62 1HB LYS 62 -13.494 3.654 -4.210 466 HG2 LYS 62 2HG LYS 62 -13.862 3.383 -1.954 467 HG3 LYS 62 1HG LYS 62 -12.192 3.779 -1.530 468 HD2 LYS 62 2HD LYS 62 -12.609 6.112 -2.213 469 HD3 LYS 62 1HD LYS 62 -14.287 5.690 -2.544 470 HE2 LYS 62 2HE LYS 62 -14.696 5.209 -0.239 471 HE3 LYS 62 1HE LYS 62 -12.981 5.344 0.151 472 HZ1 LYS 62 3HZ LYS 62 -14.178 7.330 0.810 473 HZ2 LYS 62 1HZ LYS 62 -14.733 7.563 -0.776 474 HZ3 LYS 62 2HZ LYS 62 -13.080 7.698 -0.427 475 H LEU 63 H LEU 63 -12.152 0.813 -2.146 476 HA LEU 63 HA LEU 63 -12.608 -1.307 -3.944 477 HB2 LEU 63 2HB LEU 63 -13.506 -2.468 -1.841 478 HB3 LEU 63 1HB LEU 63 -11.823 -1.983 -1.881 479 HG LEU 63 HG LEU 63 -12.552 0.106 -0.602 480 HD11 LEU 63 1HD1 LEU 63 -14.585 -0.120 0.745 481 HD12 LEU 63 2HD1 LEU 63 -15.008 -1.583 -0.144 482 HD13 LEU 63 3HD1 LEU 63 -14.942 -0.031 -0.979 483 HD21 LEU 63 3HD2 LEU 63 -12.765 -2.602 0.704 484 HD22 LEU 63 1HD2 LEU 63 -12.484 -1.074 1.540 485 HD23 LEU 63 2HD2 LEU 63 -11.283 -1.694 0.406 486 H GLU 64 H GLU 64 -14.633 1.188 -2.968 487 HA GLU 64 HA GLU 64 -16.751 1.762 -3.490 488 HB2 GLU 64 2HB GLU 64 -15.974 1.252 -5.748 489 HB3 GLU 64 1HB GLU 64 -16.440 -0.431 -5.539 490 HG2 GLU 64 2HG GLU 64 -18.800 0.465 -5.120 491 HG3 GLU 64 1HG GLU 64 -18.200 1.981 -5.792 492 H HIS 65 H HIS 65 -17.909 1.222 -1.647 493 HA HIS 65 HA HIS 65 -19.185 -1.403 -1.633 494 HB2 HIS 65 2HB HIS 65 -18.411 -0.285 0.512 495 HB3 HIS 65 1HB HIS 65 -19.714 0.877 0.284 496 HD1 HIS 65 HD1 HIS 65 -21.769 0.297 1.535 497 HD2 HIS 65 HD2 HIS 65 -19.575 -3.085 0.502 498 HE1 HIS 65 HE1 HIS 65 -23.027 -1.656 2.504 499 HE2 HIS 65 HE2 HIS 65 -21.599 -3.671 1.999 500 H HIS 66 H HIS 66 -20.129 -0.951 -3.726 501 HA HIS 66 HA HIS 66 -21.872 1.155 -4.265 502 HB2 HIS 66 2HB HIS 66 -22.787 -0.315 -6.086 503 HB3 HIS 66 1HB HIS 66 -21.042 -0.099 -6.106 504 HD1 HIS 66 HD1 HIS 66 -23.647 -2.663 -6.062 505 HD2 HIS 66 HD2 HIS 66 -19.592 -2.436 -5.183 506 HE1 HIS 66 HE1 HIS 66 -22.829 -5.038 -6.043 507 HE2 HIS 66 HE2 HIS 66 -20.368 -4.884 -5.511 508 H HIS 67 H HIS 67 -24.083 1.383 -4.239 509 HA HIS 67 HA HIS 67 -25.237 0.035 -1.928 510 HB2 HIS 67 2HB HIS 67 -26.099 2.507 -3.443 511 HB3 HIS 67 1HB HIS 67 -26.953 1.853 -2.051 512 HD1 HIS 67 HD1 HIS 67 -26.521 3.471 -0.221 513 HD2 HIS 67 HD2 HIS 67 -23.064 2.586 -2.364 514 HE1 HIS 67 HE1 HIS 67 -24.654 4.676 0.964 515 HE2 HIS 67 HE2 HIS 67 -22.551 3.951 -0.224 516 H HIS 68 H HIS 68 -25.615 -1.943 -3.047 517 HA HIS 68 HA HIS 68 -26.917 -3.490 -4.057 518 HB2 HIS 68 2HB HIS 68 -28.626 -2.515 -2.541 519 HB3 HIS 68 1HB HIS 68 -29.099 -1.407 -3.824 520 HD1 HIS 68 HD1 HIS 68 -30.986 -2.175 -5.220 521 HD2 HIS 68 HD2 HIS 68 -29.011 -5.345 -3.386 522 HE1 HIS 68 HE1 HIS 68 -32.303 -4.238 -5.819 523 HE2 HIS 68 HE2 HIS 68 -31.174 -6.118 -4.575 524 H HIS 69 H HIS 69 -25.842 -3.538 -5.999 525 HA HIS 69 HA HIS 69 -27.275 -2.529 -8.297 526 HB2 HIS 69 2HB HIS 69 -25.771 -0.629 -7.531 527 HB3 HIS 69 1HB HIS 69 -24.399 -1.675 -7.867 528 HD1 HIS 69 HD1 HIS 69 -26.415 0.883 -9.372 529 HD2 HIS 69 HD2 HIS 69 -24.364 -2.457 -10.764 530 HE1 HIS 69 HE1 HIS 69 -26.130 1.240 -11.848 531 HE2 HIS 69 HE2 HIS 69 -24.772 -0.732 -12.648 532 H HIS 70 H HIS 70 -26.743 -3.707 -10.169 533 HA HIS 70 HA HIS 70 -24.625 -5.714 -9.840 534 HB2 HIS 70 2HB HIS 70 -26.018 -7.319 -11.145 535 HB3 HIS 70 1HB HIS 70 -26.694 -6.909 -9.577 536 HD1 HIS 70 HD1 HIS 70 -28.821 -5.311 -9.602 537 HD2 HIS 70 HD2 HIS 70 -27.638 -6.804 -13.300 538 HE1 HIS 70 HE1 HIS 70 -30.781 -4.951 -11.138 539 HE2 HIS 70 HE2 HIS 70 -30.024 -5.805 -13.386 Start of MODEL 7 1 H1 MET 1 1H MET 1 -8.264 18.810 -24.301 2 H2 MET 1 2H MET 1 -8.591 18.408 -22.683 3 H3 MET 1 3H MET 1 -8.472 20.035 -23.146 4 HA MET 1 HA MET 1 -10.770 19.372 -22.830 5 HB2 MET 1 2HB MET 1 -10.277 21.147 -24.416 6 HB3 MET 1 1HB MET 1 -9.946 19.972 -25.681 7 HG2 MET 1 2HG MET 1 -12.283 19.263 -25.642 8 HG3 MET 1 1HG MET 1 -12.616 20.431 -24.361 9 HE1 MET 1 3HE MET 1 -12.104 23.839 -26.156 10 HE2 MET 1 1HE MET 1 -10.953 22.931 -25.173 11 HE3 MET 1 2HE MET 1 -12.649 23.028 -24.690 12 H ILE 2 H ILE 2 -11.931 17.626 -22.626 13 HA ILE 2 HA ILE 2 -12.674 15.505 -22.815 14 HB ILE 2 HB ILE 2 -14.216 16.626 -24.286 15 HG12 ILE 2 2HG1 ILE 2 -14.912 14.691 -25.687 16 HG13 ILE 2 1HG1 ILE 2 -13.368 13.924 -25.340 17 HG21 ILE 2 1HG2 ILE 2 -12.718 17.609 -25.906 18 HG22 ILE 2 2HG2 ILE 2 -13.956 16.652 -26.722 19 HG23 ILE 2 3HG2 ILE 2 -12.321 16.013 -26.546 20 HD11 ILE 2 3HD1 ILE 2 -15.480 14.641 -23.321 21 HD12 ILE 2 1HD1 ILE 2 -13.927 13.888 -22.961 22 HD13 ILE 2 2HD1 ILE 2 -15.122 13.028 -23.934 23 H GLY 3 H GLY 3 -10.895 14.311 -22.338 24 HA2 GLY 3 2HA GLY 3 -10.117 12.311 -24.057 25 HA3 GLY 3 1HA GLY 3 -8.929 13.589 -24.277 26 H ASP 4 H ASP 4 -10.634 12.640 -21.338 27 HA ASP 4 HA ASP 4 -8.009 11.994 -20.161 28 HB2 ASP 4 2HB ASP 4 -8.913 14.005 -19.147 29 HB3 ASP 4 1HB ASP 4 -10.449 13.198 -18.838 30 H TYR 5 H TYR 5 -7.754 9.957 -19.702 31 HA TYR 5 HA TYR 5 -9.874 8.491 -18.367 32 HB2 TYR 5 2HB TYR 5 -9.686 6.540 -19.825 33 HB3 TYR 5 1HB TYR 5 -10.162 7.941 -20.774 34 HD1 TYR 5 HD2 TYR 5 -8.503 9.024 -22.295 35 HD2 TYR 5 HD1 TYR 5 -7.627 5.404 -20.234 36 HE1 TYR 5 HE2 TYR 5 -6.620 8.610 -23.824 37 HE2 TYR 5 HE1 TYR 5 -5.747 4.985 -21.759 38 HH TYR 5 HH TYR 5 -4.591 7.382 -23.955 39 H TYR 6 H TYR 6 -7.013 9.667 -18.142 40 HA TYR 6 HA TYR 6 -5.635 7.228 -17.260 41 HB2 TYR 6 2HB TYR 6 -4.727 8.935 -19.103 42 HB3 TYR 6 1HB TYR 6 -4.144 9.773 -17.670 43 HD1 TYR 6 HD1 TYR 6 -4.244 6.278 -18.994 44 HD2 TYR 6 HD2 TYR 6 -1.976 9.295 -17.030 45 HE1 TYR 6 HE1 TYR 6 -2.296 4.781 -18.959 46 HE2 TYR 6 HE2 TYR 6 -0.021 7.801 -16.989 47 HH TYR 6 HH TYR 6 0.482 5.408 -17.091 48 H ILE 7 H ILE 7 -6.908 7.387 -15.332 49 HA ILE 7 HA ILE 7 -5.558 8.356 -13.125 50 HB ILE 7 HB ILE 7 -6.218 10.609 -13.882 51 HG12 ILE 7 2HG1 ILE 7 -7.697 9.733 -11.390 52 HG13 ILE 7 1HG1 ILE 7 -5.986 10.142 -11.474 53 HG21 ILE 7 1HG2 ILE 7 -8.244 10.077 -15.084 54 HG22 ILE 7 2HG2 ILE 7 -8.579 11.293 -13.849 55 HG23 ILE 7 3HG2 ILE 7 -9.044 9.611 -13.583 56 HD11 ILE 7 3HD1 ILE 7 -7.320 11.962 -10.551 57 HD12 ILE 7 1HD1 ILE 7 -8.262 12.028 -12.041 58 HD13 ILE 7 2HD1 ILE 7 -6.545 12.428 -12.064 59 H ASN 8 H ASN 8 -6.374 7.384 -11.316 60 HA ASN 8 HA ASN 8 -7.585 5.953 -10.046 61 HB2 ASN 8 2HB ASN 8 -9.785 7.334 -11.552 62 HB3 ASN 8 1HB ASN 8 -10.156 6.000 -10.468 63 HD21 ASN 8 1HD2 ASN 8 -10.052 6.297 -8.300 64 HD22 ASN 8 2HD2 ASN 8 -9.800 7.840 -7.554 65 H ALA 9 H ALA 9 -9.719 5.638 -12.855 66 HA ALA 9 HA ALA 9 -9.200 2.754 -12.766 67 HB1 ALA 9 3HB ALA 9 -11.338 2.479 -13.882 68 HB2 ALA 9 1HB ALA 9 -11.508 4.229 -14.028 69 HB3 ALA 9 2HB ALA 9 -11.524 3.471 -12.437 70 H SER 10 H SER 10 -7.257 2.875 -13.950 71 HA SER 10 HA SER 10 -7.710 3.178 -16.837 72 HB2 SER 10 2HB SER 10 -5.142 3.779 -15.345 73 HB3 SER 10 1HB SER 10 -5.386 3.913 -17.085 74 HG SER 10 HG SER 10 -6.933 5.537 -16.685 75 H ALA 11 H ALA 11 -5.505 1.674 -14.458 76 HA ALA 11 HA ALA 11 -6.029 -0.945 -15.399 77 HB1 ALA 11 3HB ALA 11 -3.833 -1.493 -16.328 78 HB2 ALA 11 1HB ALA 11 -3.333 0.190 -16.147 79 HB3 ALA 11 2HB ALA 11 -4.624 -0.226 -17.270 80 H LEU 12 H LEU 12 -2.869 0.242 -14.385 81 HA LEU 12 HA LEU 12 -2.990 -1.516 -12.077 82 HB2 LEU 12 2HB LEU 12 -0.735 0.180 -13.152 83 HB3 LEU 12 1HB LEU 12 -0.599 -1.002 -11.864 84 HG LEU 12 HG LEU 12 -1.415 -1.707 -14.684 85 HD11 LEU 12 1HD1 LEU 12 0.870 -2.563 -14.945 86 HD12 LEU 12 2HD1 LEU 12 1.298 -1.860 -13.386 87 HD13 LEU 12 3HD1 LEU 12 0.834 -0.814 -14.726 88 HD21 LEU 12 3HD2 LEU 12 -0.496 -3.391 -12.358 89 HD22 LEU 12 1HD2 LEU 12 -0.870 -3.985 -13.976 90 HD23 LEU 12 2HD2 LEU 12 -2.145 -3.287 -12.975 91 H ASN 13 H ASN 13 -3.143 -0.846 -9.993 92 HA ASN 13 HA ASN 13 -3.280 2.068 -9.553 93 HB2 ASN 13 2HB ASN 13 -4.902 -0.157 -8.318 94 HB3 ASN 13 1HB ASN 13 -4.872 1.481 -7.674 95 HD21 ASN 13 1HD2 ASN 13 -4.747 2.800 -10.209 96 HD22 ASN 13 2HD2 ASN 13 -6.311 2.638 -10.929 97 H VAL 14 H VAL 14 -2.830 -0.956 -7.701 98 HA VAL 14 HA VAL 14 -1.654 0.446 -5.513 99 HB VAL 14 HB VAL 14 -1.540 -2.537 -5.924 100 HG11 VAL 14 1HG1 VAL 14 -1.673 -2.583 -3.486 101 HG12 VAL 14 2HG1 VAL 14 -1.735 -0.822 -3.453 102 HG13 VAL 14 3HG1 VAL 14 -0.289 -1.643 -4.038 103 HG21 VAL 14 3HG2 VAL 14 -3.735 -2.683 -4.832 104 HG22 VAL 14 1HG2 VAL 14 -3.829 -1.843 -6.379 105 HG23 VAL 14 2HG2 VAL 14 -3.867 -0.926 -4.874 106 H ARG 15 H ARG 15 -0.286 -2.246 -7.417 107 HA ARG 15 HA ARG 15 1.794 -2.666 -8.239 108 HB2 ARG 15 2HB ARG 15 2.060 0.344 -8.210 109 HB3 ARG 15 1HB ARG 15 3.060 -0.774 -9.128 110 HG2 ARG 15 2HG ARG 15 1.612 -0.778 -10.803 111 HG3 ARG 15 1HG ARG 15 0.290 -1.221 -9.721 112 HD2 ARG 15 2HD ARG 15 -0.257 0.855 -10.786 113 HD3 ARG 15 1HD ARG 15 0.075 1.163 -9.083 114 HE ARG 15 HE ARG 15 2.203 1.594 -11.057 115 HH11 ARG 15 1HH1 ARG 15 -0.020 2.866 -8.659 116 HH12 ARG 15 2HH1 ARG 15 0.680 4.452 -8.676 117 HH21 ARG 15 1HH2 ARG 15 3.126 3.672 -11.075 118 HH22 ARG 15 2HH2 ARG 15 2.478 4.923 -10.052 119 H SER 16 H SER 16 1.430 -2.102 -5.224 120 HA SER 16 HA SER 16 2.706 -2.163 -3.346 121 HB2 SER 16 2HB SER 16 3.889 -3.980 -4.517 122 HB3 SER 16 1HB SER 16 4.948 -2.801 -5.286 123 HG SER 16 HG SER 16 5.360 -2.187 -2.930 124 H GLY 17 H GLY 17 2.361 0.309 -4.961 125 HA2 GLY 17 2HA GLY 17 3.274 2.371 -3.726 126 HA3 GLY 17 1HA GLY 17 4.828 1.784 -4.314 127 H GLU 18 H GLU 18 5.499 2.520 -6.229 128 HA GLU 18 HA GLU 18 3.457 3.500 -8.118 129 HB2 GLU 18 2HB GLU 18 6.280 4.463 -7.676 130 HB3 GLU 18 1HB GLU 18 5.313 4.915 -9.071 131 HG2 GLU 18 2HG GLU 18 3.617 5.846 -7.480 132 HG3 GLU 18 1HG GLU 18 4.778 5.565 -6.183 133 H GLY 19 H GLY 19 4.927 0.856 -7.610 134 HA2 GLY 19 2HA GLY 19 4.950 -0.669 -9.612 135 HA3 GLY 19 1HA GLY 19 6.054 0.505 -10.317 136 H THR 20 H THR 20 5.821 -0.957 -7.095 137 HA THR 20 HA THR 20 8.710 -1.373 -7.143 138 HB THR 20 HB THR 20 6.891 -1.900 -4.797 139 HG1 THR 20 HG1 THR 20 6.889 0.229 -4.311 140 HG21 THR 20 3HG2 THR 20 8.893 -1.305 -3.502 141 HG22 THR 20 1HG2 THR 20 9.779 -1.024 -5.000 142 HG23 THR 20 2HG2 THR 20 9.216 -2.647 -4.601 143 H ASN 21 H ASN 21 5.677 -3.074 -6.895 144 HA ASN 21 HA ASN 21 7.039 -5.553 -7.606 145 HB2 ASN 21 2HB ASN 21 5.316 -5.134 -5.196 146 HB3 ASN 21 1HB ASN 21 5.213 -6.669 -6.050 147 HD21 ASN 21 1HD2 ASN 21 7.160 -4.623 -4.061 148 HD22 ASN 21 2HD2 ASN 21 8.409 -5.778 -3.742 149 H TYR 22 H TYR 22 5.922 -6.790 -9.005 150 HA TYR 22 HA TYR 22 3.143 -6.025 -9.597 151 HB2 TYR 22 2HB TYR 22 5.431 -6.504 -11.490 152 HB3 TYR 22 1HB TYR 22 3.757 -6.686 -12.011 153 HD1 TYR 22 HD1 TYR 22 2.221 -4.752 -11.795 154 HD2 TYR 22 HD2 TYR 22 6.425 -4.333 -11.328 155 HE1 TYR 22 HE1 TYR 22 2.014 -2.332 -12.187 156 HE2 TYR 22 HE2 TYR 22 6.232 -1.912 -11.720 157 HH TYR 22 HH TYR 22 4.592 -0.360 -12.908 158 H ARG 23 H ARG 23 5.409 -8.377 -8.880 159 HA ARG 23 HA ARG 23 4.094 -10.691 -9.877 160 HB2 ARG 23 2HB ARG 23 5.569 -11.886 -8.202 161 HB3 ARG 23 1HB ARG 23 6.410 -10.893 -9.385 162 HG2 ARG 23 2HG ARG 23 6.536 -9.085 -7.677 163 HG3 ARG 23 1HG ARG 23 5.857 -10.211 -6.504 164 HD2 ARG 23 2HD ARG 23 7.748 -11.649 -6.677 165 HD3 ARG 23 1HD ARG 23 8.377 -10.754 -8.060 166 HE ARG 23 HE ARG 23 8.131 -9.002 -5.874 167 HH11 ARG 23 1HH1 ARG 23 10.050 -11.760 -6.882 168 HH12 ARG 23 2HH1 ARG 23 11.472 -11.244 -6.015 169 HH21 ARG 23 1HH2 ARG 23 9.986 -8.322 -4.739 170 HH22 ARG 23 2HH2 ARG 23 11.436 -9.288 -4.793 171 H ILE 24 H ILE 24 4.186 -9.176 -6.658 172 HA ILE 24 HA ILE 24 2.059 -10.975 -5.778 173 HB ILE 24 HB ILE 24 3.733 -10.956 -4.157 174 HG12 ILE 24 2HG1 ILE 24 1.793 -8.826 -3.228 175 HG13 ILE 24 1HG1 ILE 24 1.472 -10.558 -3.216 176 HG21 ILE 24 1HG2 ILE 24 3.883 -7.957 -4.417 177 HG22 ILE 24 2HG2 ILE 24 5.069 -9.125 -4.999 178 HG23 ILE 24 3HG2 ILE 24 4.804 -8.925 -3.267 179 HD11 ILE 24 3HD1 ILE 24 3.591 -9.128 -1.638 180 HD12 ILE 24 1HD1 ILE 24 3.317 -10.870 -1.637 181 HD13 ILE 24 2HD1 ILE 24 2.075 -9.782 -1.015 182 H ILE 25 H ILE 25 2.786 -7.492 -5.716 183 HA ILE 25 HA ILE 25 -0.051 -6.967 -5.229 184 HB ILE 25 HB ILE 25 2.312 -5.110 -4.958 185 HG12 ILE 25 2HG1 ILE 25 0.689 -6.496 -2.830 186 HG13 ILE 25 1HG1 ILE 25 2.343 -6.898 -3.278 187 HG21 ILE 25 1HG2 ILE 25 0.294 -3.914 -5.507 188 HG22 ILE 25 2HG2 ILE 25 0.746 -3.619 -3.827 189 HG23 ILE 25 3HG2 ILE 25 -0.562 -4.738 -4.205 190 HD11 ILE 25 3HD1 ILE 25 1.408 -4.309 -2.052 191 HD12 ILE 25 1HD1 ILE 25 3.066 -4.674 -2.529 192 HD13 ILE 25 2HD1 ILE 25 2.295 -5.598 -1.238 193 H GLY 26 H GLY 26 -1.279 -6.167 -6.836 194 HA2 GLY 26 2HA GLY 26 0.082 -4.811 -9.077 195 HA3 GLY 26 1HA GLY 26 -1.075 -6.099 -9.393 196 H ALA 27 H ALA 27 -3.124 -5.537 -9.691 197 HA ALA 27 HA ALA 27 -4.087 -3.085 -8.394 198 HB1 ALA 27 3HB ALA 27 -3.658 -2.588 -10.763 199 HB2 ALA 27 1HB ALA 27 -5.373 -2.491 -10.365 200 HB3 ALA 27 2HB ALA 27 -4.746 -3.898 -11.223 201 H LEU 28 H LEU 28 -5.090 -4.253 -6.817 202 HA LEU 28 HA LEU 28 -7.717 -5.073 -7.321 203 HB2 LEU 28 2HB LEU 28 -7.617 -7.440 -6.692 204 HB3 LEU 28 1HB LEU 28 -6.765 -7.134 -8.189 205 HG LEU 28 HG LEU 28 -5.260 -7.320 -5.593 206 HD11 LEU 28 1HD1 LEU 28 -6.118 -9.603 -7.367 207 HD12 LEU 28 2HD1 LEU 28 -6.601 -9.333 -5.690 208 HD13 LEU 28 3HD1 LEU 28 -4.919 -9.713 -6.077 209 HD21 LEU 28 3HD2 LEU 28 -4.076 -6.481 -7.567 210 HD22 LEU 28 1HD2 LEU 28 -4.525 -7.935 -8.454 211 HD23 LEU 28 2HD2 LEU 28 -3.451 -8.050 -7.060 212 HA PRO 29 HA PRO 29 -6.870 -3.772 -3.021 213 HB2 PRO 29 2HB PRO 29 -9.335 -2.256 -3.256 214 HB3 PRO 29 1HB PRO 29 -7.693 -1.660 -3.002 215 HG2 PRO 29 2HG PRO 29 -9.101 -1.261 -5.305 216 HG3 PRO 29 1HG PRO 29 -7.331 -1.324 -5.234 217 HD2 PRO 29 2HD PRO 29 -9.275 -3.436 -6.081 218 HD3 PRO 29 1HD PRO 29 -7.699 -3.009 -6.781 219 H GLN 30 H GLN 30 -7.457 -6.118 -2.896 220 HA GLN 30 HA GLN 30 -10.272 -6.719 -2.491 221 HB2 GLN 30 2HB GLN 30 -8.863 -8.191 -3.882 222 HB3 GLN 30 1HB GLN 30 -7.840 -8.517 -2.492 223 HG2 GLN 30 2HG GLN 30 -9.793 -9.518 -1.351 224 HG3 GLN 30 1HG GLN 30 -10.728 -9.279 -2.828 225 HE21 GLN 30 1HE2 GLN 30 -8.149 -11.034 -1.323 226 HE22 GLN 30 2HE2 GLN 30 -8.008 -12.277 -2.529 227 H GLY 31 H GLY 31 -11.171 -7.353 -0.583 228 HA2 GLY 31 2HA GLY 31 -11.047 -8.201 1.647 229 HA3 GLY 31 1HA GLY 31 -9.411 -7.564 1.760 230 H GLN 32 H GLN 32 -10.835 -6.980 3.828 231 HA GLN 32 HA GLN 32 -12.216 -4.437 3.461 232 HB2 GLN 32 2HB GLN 32 -11.715 -6.121 5.928 233 HB3 GLN 32 1HB GLN 32 -12.698 -4.663 5.886 234 HG2 GLN 32 2HG GLN 32 -14.357 -5.674 4.594 235 HG3 GLN 32 1HG GLN 32 -13.298 -6.993 4.104 236 HE21 GLN 32 1HE2 GLN 32 -12.940 -8.697 5.511 237 HE22 GLN 32 2HE2 GLN 32 -13.940 -8.983 6.894 238 H LYS 33 H LYS 33 -9.743 -4.072 2.662 239 HA LYS 33 HA LYS 33 -8.665 -2.056 4.285 240 HB2 LYS 33 2HB LYS 33 -6.454 -3.169 4.793 241 HB3 LYS 33 1HB LYS 33 -7.808 -3.744 5.753 242 HG2 LYS 33 2HG LYS 33 -7.990 -5.718 4.331 243 HG3 LYS 33 1HG LYS 33 -6.639 -5.134 3.351 244 HD2 LYS 33 2HD LYS 33 -5.125 -5.340 5.185 245 HD3 LYS 33 1HD LYS 33 -6.445 -5.643 6.315 246 HE2 LYS 33 2HE LYS 33 -6.934 -7.753 5.163 247 HE3 LYS 33 1HE LYS 33 -5.606 -7.444 4.045 248 HZ1 LYS 33 3HZ LYS 33 -5.165 -8.966 6.018 249 HZ2 LYS 33 1HZ LYS 33 -5.166 -7.560 6.965 250 HZ3 LYS 33 2HZ LYS 33 -4.032 -7.739 5.720 251 H VAL 34 H VAL 34 -5.939 -2.347 3.410 252 HA VAL 34 HA VAL 34 -4.528 -2.187 1.639 253 HB VAL 34 HB VAL 34 -6.829 -3.216 -0.032 254 HG11 VAL 34 1HG1 VAL 34 -3.907 -2.936 -0.740 255 HG12 VAL 34 2HG1 VAL 34 -5.225 -1.964 -1.393 256 HG13 VAL 34 3HG1 VAL 34 -5.148 -3.689 -1.744 257 HG21 VAL 34 3HG2 VAL 34 -4.413 -4.630 1.097 258 HG22 VAL 34 1HG2 VAL 34 -5.615 -5.347 0.023 259 HG23 VAL 34 2HG2 VAL 34 -6.079 -4.823 1.641 260 H GLN 35 H GLN 35 -7.688 -0.732 1.457 261 HA GLN 35 HA GLN 35 -7.275 1.105 -0.605 262 HB2 GLN 35 2HB GLN 35 -8.948 1.434 1.893 263 HB3 GLN 35 1HB GLN 35 -9.073 2.421 0.443 264 HG2 GLN 35 2HG GLN 35 -9.712 0.419 -0.838 265 HG3 GLN 35 1HG GLN 35 -9.648 -0.529 0.645 266 HE21 GLN 35 1HE2 GLN 35 -11.798 -1.085 0.550 267 HE22 GLN 35 2HE2 GLN 35 -13.070 0.041 0.860 268 H VAL 36 H VAL 36 -7.206 1.907 2.881 269 HA VAL 36 HA VAL 36 -4.650 3.069 2.822 270 HB VAL 36 HB VAL 36 -5.682 4.803 1.453 271 HG11 VAL 36 1HG1 VAL 36 -7.578 5.234 3.757 272 HG12 VAL 36 2HG1 VAL 36 -7.996 4.600 2.166 273 HG13 VAL 36 3HG1 VAL 36 -7.440 6.264 2.333 274 HG21 VAL 36 3HG2 VAL 36 -5.086 6.757 2.796 275 HG22 VAL 36 1HG2 VAL 36 -3.912 5.456 2.981 276 HG23 VAL 36 2HG2 VAL 36 -5.098 5.760 4.248 277 H ILE 37 H ILE 37 -3.948 2.937 4.840 278 HA ILE 37 HA ILE 37 -5.901 3.193 7.032 279 HB ILE 37 HB ILE 37 -3.267 1.704 7.076 280 HG12 ILE 37 2HG1 ILE 37 -5.776 0.218 7.473 281 HG13 ILE 37 1HG1 ILE 37 -5.582 0.889 5.857 282 HG21 ILE 37 1HG2 ILE 37 -4.034 0.856 9.246 283 HG22 ILE 37 2HG2 ILE 37 -5.463 1.886 9.136 284 HG23 ILE 37 3HG2 ILE 37 -3.858 2.612 9.253 285 HD11 ILE 37 3HD1 ILE 37 -4.754 -1.385 5.970 286 HD12 ILE 37 1HD1 ILE 37 -3.634 -0.928 7.254 287 HD13 ILE 37 2HD1 ILE 37 -3.442 -0.255 5.633 288 H SER 38 H SER 38 -2.461 3.685 6.295 289 HA SER 38 HA SER 38 -2.611 6.336 7.503 290 HB2 SER 38 2HB SER 38 -1.794 4.796 9.289 291 HB3 SER 38 1HB SER 38 -0.457 4.329 8.237 292 HG SER 38 HG SER 38 -0.905 6.723 9.624 293 H GLU 39 H GLU 39 -0.379 7.461 7.067 294 HA GLU 39 HA GLU 39 0.634 6.667 4.430 295 HB2 GLU 39 2HB GLU 39 -0.403 9.423 5.125 296 HB3 GLU 39 1HB GLU 39 0.411 8.989 3.633 297 HG2 GLU 39 2HG GLU 39 -1.397 7.526 3.016 298 HG3 GLU 39 1HG GLU 39 -2.192 7.819 4.564 299 H ASN 40 H ASN 40 2.755 7.442 3.981 300 HA ASN 40 HA ASN 40 4.042 9.276 5.768 301 HB2 ASN 40 2HB ASN 40 4.143 7.231 7.146 302 HB3 ASN 40 1HB ASN 40 4.975 6.397 5.835 303 HD21 ASN 40 1HD2 ASN 40 6.841 6.024 7.004 304 HD22 ASN 40 2HD2 ASN 40 7.932 7.288 7.446 305 H SER 41 H SER 41 5.143 10.462 4.399 306 HA SER 41 HA SER 41 6.797 11.103 2.995 307 HB2 SER 41 2HB SER 41 8.057 9.437 4.396 308 HB3 SER 41 1HB SER 41 7.771 8.247 3.130 309 HG SER 41 HG SER 41 8.894 9.633 1.685 310 H GLY 42 H GLY 42 4.289 10.074 1.863 311 HA2 GLY 42 2HA GLY 42 3.860 10.445 -0.484 312 HA3 GLY 42 1HA GLY 42 5.367 9.624 -0.849 313 H TRP 43 H TRP 43 4.864 7.439 1.003 314 HA TRP 43 HA TRP 43 2.880 5.996 -0.608 315 HB2 TRP 43 2HB TRP 43 5.226 5.066 1.038 316 HB3 TRP 43 1HB TRP 43 3.959 3.955 0.538 317 HD1 TRP 43 HD1 TRP 43 4.231 6.178 -2.287 318 HE1 TRP 43 HE1 TRP 43 5.817 5.251 -4.096 319 HE3 TRP 43 HE3 TRP 43 6.557 2.558 0.464 320 HZ2 TRP 43 HZ2 TRP 43 7.780 3.235 -4.321 321 HZ3 TRP 43 HZ3 TRP 43 8.274 1.165 -0.624 322 HH2 TRP 43 HH2 TRP 43 8.869 1.497 -2.970 323 H SER 44 H SER 44 1.395 4.581 0.441 324 HA SER 44 HA SER 44 0.701 5.509 3.138 325 HB2 SER 44 2HB SER 44 -1.057 4.139 1.095 326 HB3 SER 44 1HB SER 44 -1.578 4.786 2.653 327 HG SER 44 HG SER 44 -0.798 6.863 1.860 328 H LYS 45 H LYS 45 0.245 4.083 4.756 329 HA LYS 45 HA LYS 45 1.678 1.587 4.630 330 HB2 LYS 45 2HB LYS 45 0.361 3.250 6.746 331 HB3 LYS 45 1HB LYS 45 0.802 1.591 7.091 332 HG2 LYS 45 2HG LYS 45 2.766 3.597 6.049 333 HG3 LYS 45 1HG LYS 45 2.441 3.385 7.766 334 HD2 LYS 45 2HD LYS 45 3.407 1.228 5.895 335 HD3 LYS 45 1HD LYS 45 4.420 2.133 7.023 336 HE2 LYS 45 2HE LYS 45 2.743 1.300 8.812 337 HE3 LYS 45 1HE LYS 45 2.298 0.097 7.602 338 HZ1 LYS 45 3HZ LYS 45 4.979 0.528 8.796 339 HZ2 LYS 45 1HZ LYS 45 4.687 -0.517 7.497 340 HZ3 LYS 45 2HZ LYS 45 3.975 -0.821 9.005 341 H ILE 46 H ILE 46 0.678 -0.244 3.985 342 HA ILE 46 HA ILE 46 -2.064 -0.727 4.925 343 HB ILE 46 HB ILE 46 -2.694 -1.777 2.798 344 HG12 ILE 46 2HG1 ILE 46 -0.224 -0.555 1.579 345 HG13 ILE 46 1HG1 ILE 46 -0.270 -2.224 2.141 346 HG21 ILE 46 1HG2 ILE 46 -2.974 0.272 1.468 347 HG22 ILE 46 2HG2 ILE 46 -1.807 1.091 2.508 348 HG23 ILE 46 3HG2 ILE 46 -3.341 0.530 3.175 349 HD11 ILE 46 3HD1 ILE 46 -0.651 -2.078 -0.252 350 HD12 ILE 46 1HD1 ILE 46 -2.038 -1.025 0.023 351 HD13 ILE 46 2HD1 ILE 46 -2.079 -2.699 0.579 352 H ASN 47 H ASN 47 -2.665 -3.071 4.605 353 HA ASN 47 HA ASN 47 -0.312 -4.831 4.799 354 HB2 ASN 47 2HB ASN 47 -1.657 -4.825 6.867 355 HB3 ASN 47 1HB ASN 47 -3.091 -5.263 5.940 356 HD21 ASN 47 1HD2 ASN 47 -0.101 -6.362 7.289 357 HD22 ASN 47 2HD2 ASN 47 -0.366 -8.052 7.027 358 H TYR 48 H TYR 48 -0.011 -5.975 3.013 359 HA TYR 48 HA TYR 48 -2.336 -6.450 1.268 360 HB2 TYR 48 2HB TYR 48 -0.295 -4.994 0.518 361 HB3 TYR 48 1HB TYR 48 0.499 -6.546 0.294 362 HD1 TYR 48 HD2 TYR 48 -0.588 -8.238 -1.290 363 HD2 TYR 48 HD1 TYR 48 -1.756 -4.156 -1.126 364 HE1 TYR 48 HE2 TYR 48 -1.658 -8.460 -3.489 365 HE2 TYR 48 HE1 TYR 48 -2.835 -4.367 -3.320 366 HH TYR 48 HH TYR 48 -3.446 -7.343 -4.788 367 H ASN 49 H ASN 49 -3.025 -8.459 1.470 368 HA ASN 49 HA ASN 49 -3.083 -10.729 1.469 369 HB2 ASN 49 2HB ASN 49 -1.850 -10.244 -0.699 370 HB3 ASN 49 1HB ASN 49 -0.358 -10.609 0.164 371 HD21 ASN 49 1HD2 ASN 49 0.080 -12.360 -1.181 372 HD22 ASN 49 2HD2 ASN 49 -0.799 -13.844 -1.075 373 H GLY 50 H GLY 50 -1.947 -9.410 3.792 374 HA2 GLY 50 2HA GLY 50 -1.560 -10.537 5.826 375 HA3 GLY 50 1HA GLY 50 -0.840 -11.859 4.931 376 H GLN 51 H GLN 51 0.512 -9.067 3.723 377 HA GLN 51 HA GLN 51 2.545 -8.970 5.842 378 HB2 GLN 51 2HB GLN 51 4.326 -8.867 4.225 379 HB3 GLN 51 1HB GLN 51 3.384 -10.319 3.953 380 HG2 GLN 51 2HG GLN 51 2.311 -9.340 2.051 381 HG3 GLN 51 1HG GLN 51 3.084 -7.786 2.369 382 HE21 GLN 51 1HE2 GLN 51 3.558 -11.054 1.250 383 HE22 GLN 51 2HE2 GLN 51 5.111 -10.786 0.529 384 H THR 52 H THR 52 3.971 -7.001 5.601 385 HA THR 52 HA THR 52 2.321 -4.690 5.542 386 HB THR 52 HB THR 52 5.343 -4.810 5.616 387 HG1 THR 52 HG1 THR 52 3.383 -5.448 7.479 388 HG21 THR 52 3HG2 THR 52 5.134 -2.663 6.790 389 HG22 THR 52 1HG2 THR 52 3.382 -2.722 6.593 390 HG23 THR 52 2HG2 THR 52 4.426 -2.574 5.177 391 H GLY 53 H GLY 53 1.732 -3.548 3.831 392 HA2 GLY 53 2HA GLY 53 3.480 -3.597 1.453 393 HA3 GLY 53 1HA GLY 53 1.728 -3.692 1.335 394 H TYR 54 H TYR 54 2.942 -1.756 -0.060 395 HA TYR 54 HA TYR 54 2.126 0.669 1.355 396 HB2 TYR 54 2HB TYR 54 4.741 0.339 -0.143 397 HB3 TYR 54 1HB TYR 54 4.102 1.880 0.420 398 HD1 TYR 54 HD1 TYR 54 4.124 2.449 2.780 399 HD2 TYR 54 HD2 TYR 54 5.657 -1.283 1.435 400 HE1 TYR 54 HE1 TYR 54 5.178 2.100 4.969 401 HE2 TYR 54 HE2 TYR 54 6.717 -1.643 3.624 402 HH TYR 54 HH TYR 54 7.430 -0.421 5.567 403 H ILE 55 H ILE 55 1.372 2.325 -0.037 404 HA ILE 55 HA ILE 55 1.156 1.576 -2.876 405 HB ILE 55 HB ILE 55 -1.119 2.446 -2.991 406 HG12 ILE 55 2HG1 ILE 55 -2.186 2.584 -0.512 407 HG13 ILE 55 1HG1 ILE 55 -0.579 3.223 -0.187 408 HG21 ILE 55 1HG2 ILE 55 -2.272 0.682 -1.767 409 HG22 ILE 55 2HG2 ILE 55 -0.810 0.376 -0.833 410 HG23 ILE 55 3HG2 ILE 55 -0.823 0.082 -2.571 411 HD11 ILE 55 3HD1 ILE 55 -2.143 5.004 -0.658 412 HD12 ILE 55 1HD1 ILE 55 -2.528 4.278 -2.218 413 HD13 ILE 55 2HD1 ILE 55 -0.910 4.916 -1.919 414 H GLY 56 H GLY 56 1.015 3.316 -4.357 415 HA2 GLY 56 2HA GLY 56 2.103 5.829 -3.356 416 HA3 GLY 56 1HA GLY 56 1.901 5.378 -5.045 417 H THR 57 H THR 57 0.697 7.246 -2.565 418 HA THR 57 HA THR 57 -2.074 6.996 -2.757 419 HB THR 57 HB THR 57 -0.733 9.596 -2.079 420 HG1 THR 57 HG1 THR 57 -0.913 7.323 -0.353 421 HG21 THR 57 3HG2 THR 57 -3.068 8.095 -0.881 422 HG22 THR 57 1HG2 THR 57 -3.184 9.478 -1.971 423 HG23 THR 57 2HG2 THR 57 -2.483 9.677 -0.364 424 H ARG 58 H ARG 58 0.083 8.403 -5.009 425 HA ARG 58 HA ARG 58 -1.662 10.389 -6.055 426 HB2 ARG 58 2HB ARG 58 -0.045 10.581 -7.844 427 HB3 ARG 58 1HB ARG 58 0.770 10.519 -6.295 428 HG2 ARG 58 2HG ARG 58 1.178 8.085 -6.724 429 HG3 ARG 58 1HG ARG 58 0.561 8.340 -8.356 430 HD2 ARG 58 2HD ARG 58 2.958 9.661 -7.093 431 HD3 ARG 58 1HD ARG 58 2.968 8.460 -8.380 432 HE ARG 58 HE ARG 58 1.496 10.840 -9.040 433 HH11 ARG 58 1HH1 ARG 58 4.648 9.299 -9.063 434 HH12 ARG 58 2HH1 ARG 58 5.306 10.399 -10.247 435 HH21 ARG 58 1HH2 ARG 58 2.346 12.263 -10.608 436 HH22 ARG 58 2HH2 ARG 58 3.993 12.069 -11.141 437 H TYR 59 H TYR 59 -1.517 6.987 -6.396 438 HA TYR 59 HA TYR 59 -3.616 7.168 -8.438 439 HB2 TYR 59 2HB TYR 59 -1.014 5.933 -8.772 440 HB3 TYR 59 1HB TYR 59 -2.304 4.748 -8.944 441 HD1 TYR 59 HD2 TYR 59 -0.882 7.854 -10.313 442 HD2 TYR 59 HD1 TYR 59 -3.785 4.789 -10.821 443 HE1 TYR 59 HE2 TYR 59 -1.271 8.617 -12.616 444 HE2 TYR 59 HE1 TYR 59 -4.186 5.543 -13.128 445 HH TYR 59 HH TYR 59 -2.130 7.767 -14.718 446 H LEU 60 H LEU 60 -5.390 6.271 -7.656 447 HA LEU 60 HA LEU 60 -5.290 3.759 -6.219 448 HB2 LEU 60 2HB LEU 60 -6.149 6.334 -4.926 449 HB3 LEU 60 1HB LEU 60 -6.821 4.801 -4.409 450 HG LEU 60 HG LEU 60 -3.885 5.501 -4.357 451 HD11 LEU 60 1HD1 LEU 60 -4.170 5.637 -1.935 452 HD12 LEU 60 2HD1 LEU 60 -5.901 5.350 -2.115 453 HD13 LEU 60 3HD1 LEU 60 -5.181 6.828 -2.757 454 HD21 LEU 60 3HD2 LEU 60 -4.354 3.102 -4.640 455 HD22 LEU 60 1HD2 LEU 60 -5.379 3.144 -3.204 456 HD23 LEU 60 2HD2 LEU 60 -3.649 3.455 -3.062 457 H SER 61 H SER 61 -7.350 2.766 -6.029 458 HA SER 61 HA SER 61 -9.693 4.117 -7.015 459 HB2 SER 61 2HB SER 61 -8.624 3.260 -9.103 460 HB3 SER 61 1HB SER 61 -8.700 1.630 -8.436 461 HG SER 61 HG SER 61 -10.911 1.700 -8.521 462 H LYS 62 H LYS 62 -11.244 3.561 -5.670 463 HA LYS 62 HA LYS 62 -10.997 1.155 -4.052 464 HB2 LYS 62 2HB LYS 62 -13.152 3.264 -4.019 465 HB3 LYS 62 1HB LYS 62 -12.853 2.045 -2.788 466 HG2 LYS 62 2HG LYS 62 -10.687 3.077 -2.305 467 HG3 LYS 62 1HG LYS 62 -11.019 4.322 -3.514 468 HD2 LYS 62 2HD LYS 62 -13.128 4.804 -2.209 469 HD3 LYS 62 1HD LYS 62 -12.457 3.797 -0.929 470 HE2 LYS 62 2HE LYS 62 -11.941 6.078 -0.433 471 HE3 LYS 62 1HE LYS 62 -10.452 5.266 -0.911 472 HZ1 LYS 62 3HZ LYS 62 -12.104 6.924 -2.737 473 HZ2 LYS 62 1HZ LYS 62 -10.582 6.262 -3.070 474 HZ3 LYS 62 2HZ LYS 62 -10.740 7.491 -1.913 475 H LEU 63 H LEU 63 -13.685 0.551 -3.638 476 HA LEU 63 HA LEU 63 -14.392 -0.736 -6.137 477 HB2 LEU 63 2HB LEU 63 -15.544 -0.856 -3.356 478 HB3 LEU 63 1HB LEU 63 -16.349 -1.605 -4.722 479 HG LEU 63 HG LEU 63 -14.141 -2.880 -5.084 480 HD11 LEU 63 1HD1 LEU 63 -12.739 -1.546 -3.612 481 HD12 LEU 63 2HD1 LEU 63 -12.796 -3.225 -3.074 482 HD13 LEU 63 3HD1 LEU 63 -13.739 -1.996 -2.231 483 HD21 LEU 63 3HD2 LEU 63 -15.821 -3.443 -2.644 484 HD22 LEU 63 1HD2 LEU 63 -14.803 -4.605 -3.497 485 HD23 LEU 63 2HD2 LEU 63 -16.210 -3.907 -4.302 486 H GLU 64 H GLU 64 -14.470 2.125 -5.990 487 HA GLU 64 HA GLU 64 -17.241 2.919 -5.974 488 HB2 GLU 64 2HB GLU 64 -14.775 4.404 -6.906 489 HB3 GLU 64 1HB GLU 64 -16.374 5.105 -6.682 490 HG2 GLU 64 2HG GLU 64 -16.252 4.551 -4.287 491 HG3 GLU 64 1HG GLU 64 -14.625 3.924 -4.532 492 H HIS 65 H HIS 65 -18.236 3.895 -7.915 493 HA HIS 65 HA HIS 65 -19.088 3.615 -10.012 494 HB2 HIS 65 2HB HIS 65 -16.735 4.497 -10.542 495 HB3 HIS 65 1HB HIS 65 -16.297 2.825 -10.873 496 HD1 HIS 65 HD1 HIS 65 -16.445 2.228 -13.252 497 HD2 HIS 65 HD2 HIS 65 -19.105 5.268 -12.253 498 HE1 HIS 65 HE1 HIS 65 -17.553 2.901 -15.407 499 HE2 HIS 65 HE2 HIS 65 -19.030 4.854 -14.807 500 H HIS 66 H HIS 66 -18.902 1.454 -8.091 501 HA HIS 66 HA HIS 66 -19.194 -0.911 -9.757 502 HB2 HIS 66 2HB HIS 66 -16.730 -0.575 -9.133 503 HB3 HIS 66 1HB HIS 66 -17.213 -0.837 -7.467 504 HD1 HIS 66 HD1 HIS 66 -15.421 -2.558 -9.726 505 HD2 HIS 66 HD2 HIS 66 -18.932 -3.568 -7.741 506 HE1 HIS 66 HE1 HIS 66 -15.488 -5.073 -9.709 507 HE2 HIS 66 HE2 HIS 66 -17.650 -5.668 -8.551 508 H HIS 67 H HIS 67 -20.814 -2.156 -8.886 509 HA HIS 67 HA HIS 67 -22.149 -1.279 -6.550 510 HB2 HIS 67 2HB HIS 67 -23.707 -3.024 -6.897 511 HB3 HIS 67 1HB HIS 67 -23.192 -2.553 -8.508 512 HD1 HIS 67 HD1 HIS 67 -22.153 -4.359 -9.967 513 HD2 HIS 67 HD2 HIS 67 -22.711 -5.558 -6.022 514 HE1 HIS 67 HE1 HIS 67 -21.689 -6.836 -9.932 515 HE2 HIS 67 HE2 HIS 67 -22.195 -7.565 -7.571 516 H HIS 68 H HIS 68 -22.143 -2.035 -4.480 517 HA HIS 68 HA HIS 68 -19.846 -3.694 -3.746 518 HB2 HIS 68 2HB HIS 68 -21.797 -2.135 -2.030 519 HB3 HIS 68 1HB HIS 68 -20.448 -3.071 -1.407 520 HD1 HIS 68 HD1 HIS 68 -20.675 -0.106 -0.793 521 HD2 HIS 68 HD2 HIS 68 -18.531 -1.641 -4.011 522 HE1 HIS 68 HE1 HIS 68 -18.975 1.652 -1.377 523 HE2 HIS 68 HE2 HIS 68 -17.587 0.636 -3.213 524 H HIS 69 H HIS 69 -20.058 -5.616 -2.565 525 HA HIS 69 HA HIS 69 -22.747 -6.772 -2.505 526 HB2 HIS 69 2HB HIS 69 -20.582 -8.008 -3.323 527 HB3 HIS 69 1HB HIS 69 -20.265 -8.210 -1.603 528 HD1 HIS 69 HD1 HIS 69 -21.496 -10.058 -0.412 529 HD2 HIS 69 HD2 HIS 69 -22.990 -9.313 -4.224 530 HE1 HIS 69 HE1 HIS 69 -23.134 -11.911 -0.879 531 HE2 HIS 69 HE2 HIS 69 -23.820 -11.571 -3.280 532 H HIS 70 H HIS 70 -23.771 -5.841 -0.830 533 HA HIS 70 HA HIS 70 -24.289 -5.116 1.250 534 HB2 HIS 70 2HB HIS 70 -21.970 -6.842 2.157 535 HB3 HIS 70 1HB HIS 70 -23.099 -6.032 3.234 536 HD1 HIS 70 HD1 HIS 70 -25.791 -6.751 2.234 537 HD2 HIS 70 HD2 HIS 70 -22.621 -9.443 2.101 538 HE1 HIS 70 HE1 HIS 70 -26.837 -9.034 2.162 539 HE2 HIS 70 HE2 HIS 70 -24.906 -10.653 2.190 Start of MODEL 8 1 H1 MET 1 1H MET 1 -13.795 12.442 -7.689 2 H2 MET 1 2H MET 1 -14.471 13.821 -6.980 3 H3 MET 1 3H MET 1 -12.861 13.398 -6.644 4 HA MET 1 HA MET 1 -13.931 14.245 -9.271 5 HB2 MET 1 2HB MET 1 -13.729 16.094 -7.669 6 HB3 MET 1 1HB MET 1 -12.069 15.633 -7.326 7 HG2 MET 1 2HG MET 1 -11.453 16.136 -9.640 8 HG3 MET 1 1HG MET 1 -13.116 16.613 -9.972 9 HE1 MET 1 3HE MET 1 -12.117 18.917 -10.934 10 HE2 MET 1 1HE MET 1 -10.482 18.417 -10.498 11 HE3 MET 1 2HE MET 1 -11.087 19.995 -9.992 12 H ILE 2 H ILE 2 -13.035 12.651 -10.508 13 HA ILE 2 HA ILE 2 -10.098 12.470 -10.405 14 HB ILE 2 HB ILE 2 -10.376 10.150 -11.381 15 HG12 ILE 2 2HG1 ILE 2 -13.193 10.476 -10.314 16 HG13 ILE 2 1HG1 ILE 2 -12.762 10.366 -12.017 17 HG21 ILE 2 1HG2 ILE 2 -10.712 9.123 -9.181 18 HG22 ILE 2 2HG2 ILE 2 -11.346 10.651 -8.570 19 HG23 ILE 2 3HG2 ILE 2 -9.666 10.541 -9.091 20 HD11 ILE 2 3HD1 ILE 2 -11.916 8.101 -11.652 21 HD12 ILE 2 1HD1 ILE 2 -13.612 8.247 -11.185 22 HD13 ILE 2 2HD1 ILE 2 -12.356 8.215 -9.949 23 H GLY 3 H GLY 3 -9.375 13.632 -12.034 24 HA2 GLY 3 2HA GLY 3 -10.449 13.020 -14.718 25 HA3 GLY 3 1HA GLY 3 -9.892 14.629 -14.263 26 H ASP 4 H ASP 4 -8.163 12.135 -12.840 27 HA ASP 4 HA ASP 4 -5.844 12.737 -14.509 28 HB2 ASP 4 2HB ASP 4 -6.026 11.382 -11.805 29 HB3 ASP 4 1HB ASP 4 -4.532 11.754 -12.657 30 H TYR 5 H TYR 5 -5.588 11.389 -16.148 31 HA TYR 5 HA TYR 5 -5.677 8.506 -15.569 32 HB2 TYR 5 2HB TYR 5 -6.700 9.850 -18.083 33 HB3 TYR 5 1HB TYR 5 -6.505 8.112 -17.885 34 HD1 TYR 5 HD1 TYR 5 -8.000 6.857 -16.383 35 HD2 TYR 5 HD2 TYR 5 -8.542 11.023 -17.067 36 HE1 TYR 5 HE1 TYR 5 -10.266 6.712 -15.439 37 HE2 TYR 5 HE2 TYR 5 -10.810 10.886 -16.125 38 HH TYR 5 HH TYR 5 -12.554 9.206 -15.755 39 H TYR 6 H TYR 6 -3.422 8.702 -15.222 40 HA TYR 6 HA TYR 6 -1.873 8.441 -17.652 41 HB2 TYR 6 2HB TYR 6 -2.040 10.950 -17.014 42 HB3 TYR 6 1HB TYR 6 -0.962 10.534 -15.687 43 HD1 TYR 6 HD2 TYR 6 -1.270 10.576 -19.374 44 HD2 TYR 6 HD1 TYR 6 1.368 10.301 -16.051 45 HE1 TYR 6 HE2 TYR 6 0.649 10.854 -20.884 46 HE2 TYR 6 HE1 TYR 6 3.294 10.584 -17.549 47 HH TYR 6 HH TYR 6 3.826 10.217 -19.947 48 H ILE 7 H ILE 7 0.212 7.540 -17.245 49 HA ILE 7 HA ILE 7 1.708 6.177 -16.239 50 HB ILE 7 HB ILE 7 0.659 7.215 -13.599 51 HG12 ILE 7 2HG1 ILE 7 3.017 8.165 -15.247 52 HG13 ILE 7 1HG1 ILE 7 1.487 9.020 -15.090 53 HG21 ILE 7 1HG2 ILE 7 2.839 6.498 -12.727 54 HG22 ILE 7 2HG2 ILE 7 3.246 5.836 -14.312 55 HG23 ILE 7 3HG2 ILE 7 1.916 5.143 -13.381 56 HD11 ILE 7 3HD1 ILE 7 1.893 9.258 -12.681 57 HD12 ILE 7 1HD1 ILE 7 3.156 10.008 -13.659 58 HD13 ILE 7 2HD1 ILE 7 3.451 8.453 -12.880 59 H ASN 8 H ASN 8 -0.806 5.993 -13.723 60 HA ASN 8 HA ASN 8 -0.869 3.111 -14.024 61 HB2 ASN 8 2HB ASN 8 -2.214 4.957 -12.059 62 HB3 ASN 8 1HB ASN 8 -2.490 3.220 -12.092 63 HD21 ASN 8 1HD2 ASN 8 -1.633 2.798 -10.108 64 HD22 ASN 8 2HD2 ASN 8 0.041 2.976 -9.734 65 H ALA 9 H ALA 9 -3.008 5.869 -14.466 66 HA ALA 9 HA ALA 9 -4.966 6.154 -15.577 67 HB1 ALA 9 3HB ALA 9 -5.595 4.592 -17.354 68 HB2 ALA 9 1HB ALA 9 -4.368 3.456 -16.794 69 HB3 ALA 9 2HB ALA 9 -3.886 5.020 -17.449 70 H SER 10 H SER 10 -6.941 4.135 -16.233 71 HA SER 10 HA SER 10 -8.205 4.122 -13.669 72 HB2 SER 10 2HB SER 10 -9.463 4.587 -15.736 73 HB3 SER 10 1HB SER 10 -9.148 2.943 -16.294 74 HG SER 10 HG SER 10 -10.172 2.549 -13.994 75 H ALA 11 H ALA 11 -6.139 1.923 -15.176 76 HA ALA 11 HA ALA 11 -7.210 -0.289 -13.553 77 HB1 ALA 11 3HB ALA 11 -6.363 -1.855 -15.222 78 HB2 ALA 11 1HB ALA 11 -5.783 -0.511 -16.204 79 HB3 ALA 11 2HB ALA 11 -7.515 -0.729 -15.943 80 H LEU 12 H LEU 12 -5.587 -1.845 -12.822 81 HA LEU 12 HA LEU 12 -3.704 -2.367 -11.659 82 HB2 LEU 12 2HB LEU 12 -2.390 -0.736 -13.833 83 HB3 LEU 12 1HB LEU 12 -1.548 -1.805 -12.728 84 HG LEU 12 HG LEU 12 -3.583 -2.645 -14.794 85 HD11 LEU 12 1HD1 LEU 12 -1.669 -3.722 -15.879 86 HD12 LEU 12 2HD1 LEU 12 -0.597 -3.033 -14.661 87 HD13 LEU 12 3HD1 LEU 12 -1.461 -1.975 -15.774 88 HD21 LEU 12 3HD2 LEU 12 -2.944 -4.933 -14.173 89 HD22 LEU 12 1HD2 LEU 12 -3.691 -4.072 -12.826 90 HD23 LEU 12 2HD2 LEU 12 -1.942 -4.292 -12.871 91 H ASN 13 H ASN 13 -5.095 -0.266 -10.589 92 HA ASN 13 HA ASN 13 -3.546 2.052 -10.161 93 HB2 ASN 13 2HB ASN 13 -5.867 0.965 -8.564 94 HB3 ASN 13 1HB ASN 13 -5.173 2.568 -8.357 95 HD21 ASN 13 1HD2 ASN 13 -7.198 0.547 -10.281 96 HD22 ASN 13 2HD2 ASN 13 -7.780 1.773 -11.350 97 H VAL 14 H VAL 14 -4.218 -0.763 -8.092 98 HA VAL 14 HA VAL 14 -2.417 0.272 -6.055 99 HB VAL 14 HB VAL 14 -3.871 -2.370 -5.952 100 HG11 VAL 14 1HG1 VAL 14 -2.184 -2.015 -4.243 101 HG12 VAL 14 2HG1 VAL 14 -3.794 -1.992 -3.526 102 HG13 VAL 14 3HG1 VAL 14 -2.926 -0.482 -3.798 103 HG21 VAL 14 3HG2 VAL 14 -5.736 -1.248 -4.861 104 HG22 VAL 14 1HG2 VAL 14 -5.507 -0.632 -6.499 105 HG23 VAL 14 2HG2 VAL 14 -4.958 0.314 -5.115 106 H ARG 15 H ARG 15 -0.951 -0.215 -8.271 107 HA ARG 15 HA ARG 15 0.048 -2.893 -8.397 108 HB2 ARG 15 2HB ARG 15 0.487 -0.395 -9.837 109 HB3 ARG 15 1HB ARG 15 1.952 -1.350 -9.649 110 HG2 ARG 15 2HG ARG 15 -0.636 -2.225 -10.911 111 HG3 ARG 15 1HG ARG 15 0.908 -1.941 -11.718 112 HD2 ARG 15 2HD ARG 15 1.893 -3.776 -10.366 113 HD3 ARG 15 1HD ARG 15 0.299 -4.089 -9.689 114 HE ARG 15 HE ARG 15 0.592 -4.206 -12.597 115 HH11 ARG 15 1HH1 ARG 15 0.350 -5.934 -9.557 116 HH12 ARG 15 2HH1 ARG 15 -0.203 -7.409 -10.294 117 HH21 ARG 15 1HH2 ARG 15 -0.080 -6.149 -13.572 118 HH22 ARG 15 2HH2 ARG 15 -0.422 -7.535 -12.585 119 H SER 16 H SER 16 0.234 -1.808 -5.784 120 HA SER 16 HA SER 16 1.624 -1.775 -3.998 121 HB2 SER 16 2HB SER 16 3.363 -3.606 -5.643 122 HB3 SER 16 1HB SER 16 3.144 -3.594 -3.893 123 HG SER 16 HG SER 16 0.979 -4.034 -5.656 124 H GLY 17 H GLY 17 2.113 0.486 -4.536 125 HA2 GLY 17 2HA GLY 17 3.928 1.909 -3.926 126 HA3 GLY 17 1HA GLY 17 5.026 0.789 -4.719 127 H GLU 18 H GLU 18 5.978 2.141 -6.138 128 HA GLU 18 HA GLU 18 4.210 3.434 -8.106 129 HB2 GLU 18 2HB GLU 18 5.975 4.767 -6.711 130 HB3 GLU 18 1HB GLU 18 7.142 4.036 -7.806 131 HG2 GLU 18 2HG GLU 18 5.929 5.015 -9.710 132 HG3 GLU 18 1HG GLU 18 4.822 5.792 -8.581 133 H GLY 19 H GLY 19 4.580 0.713 -8.192 134 HA2 GLY 19 2HA GLY 19 5.001 -0.818 -9.928 135 HA3 GLY 19 1HA GLY 19 6.131 0.331 -10.637 136 H THR 20 H THR 20 6.286 -0.303 -7.269 137 HA THR 20 HA THR 20 9.022 -1.185 -7.569 138 HB THR 20 HB THR 20 7.559 -0.782 -4.970 139 HG1 THR 20 HG1 THR 20 8.818 1.222 -6.586 140 HG21 THR 20 3HG2 THR 20 9.785 -0.096 -4.191 141 HG22 THR 20 1HG2 THR 20 10.436 -0.373 -5.807 142 HG23 THR 20 2HG2 THR 20 9.820 -1.727 -4.862 143 H ASN 21 H ASN 21 6.247 -2.290 -5.607 144 HA ASN 21 HA ASN 21 7.370 -5.020 -5.669 145 HB2 ASN 21 2HB ASN 21 5.433 -3.764 -3.705 146 HB3 ASN 21 1HB ASN 21 6.026 -5.418 -3.629 147 HD21 ASN 21 1HD2 ASN 21 8.130 -5.804 -2.934 148 HD22 ASN 21 2HD2 ASN 21 9.079 -4.587 -2.160 149 H TYR 22 H TYR 22 5.971 -4.022 -7.840 150 HA TYR 22 HA TYR 22 3.231 -3.961 -7.845 151 HB2 TYR 22 2HB TYR 22 3.348 -4.114 -10.243 152 HB3 TYR 22 1HB TYR 22 4.733 -3.189 -9.677 153 HD1 TYR 22 HD2 TYR 22 6.987 -4.381 -9.533 154 HD2 TYR 22 HD1 TYR 22 3.623 -6.033 -11.549 155 HE1 TYR 22 HE2 TYR 22 8.478 -5.896 -10.767 156 HE2 TYR 22 HE1 TYR 22 5.107 -7.554 -12.786 157 HH TYR 22 HH TYR 22 7.498 -7.617 -13.485 158 H ARG 23 H ARG 23 5.189 -6.801 -7.719 159 HA ARG 23 HA ARG 23 3.554 -8.663 -8.999 160 HB2 ARG 23 2HB ARG 23 5.803 -9.245 -8.355 161 HB3 ARG 23 1HB ARG 23 5.423 -9.010 -6.654 162 HG2 ARG 23 2HG ARG 23 3.730 -10.874 -6.915 163 HG3 ARG 23 1HG ARG 23 4.481 -11.199 -8.478 164 HD2 ARG 23 2HD ARG 23 6.554 -11.736 -7.475 165 HD3 ARG 23 1HD ARG 23 6.054 -11.074 -5.918 166 HE ARG 23 HE ARG 23 4.877 -13.512 -7.108 167 HH11 ARG 23 1HH1 ARG 23 6.088 -11.702 -4.359 168 HH12 ARG 23 2HH1 ARG 23 5.645 -12.916 -3.193 169 HH21 ARG 23 1HH2 ARG 23 4.287 -15.106 -5.593 170 HH22 ARG 23 2HH2 ARG 23 4.631 -14.869 -3.900 171 H ILE 24 H ILE 24 3.278 -7.272 -5.773 172 HA ILE 24 HA ILE 24 1.745 -9.412 -4.669 173 HB ILE 24 HB ILE 24 1.908 -6.572 -3.653 174 HG12 ILE 24 2HG1 ILE 24 3.688 -8.917 -2.943 175 HG13 ILE 24 1HG1 ILE 24 4.155 -7.619 -4.037 176 HG21 ILE 24 1HG2 ILE 24 0.149 -7.894 -2.616 177 HG22 ILE 24 2HG2 ILE 24 1.459 -7.617 -1.470 178 HG23 ILE 24 3HG2 ILE 24 1.300 -9.182 -2.265 179 HD11 ILE 24 3HD1 ILE 24 5.073 -7.269 -1.822 180 HD12 ILE 24 1HD1 ILE 24 3.452 -7.312 -1.127 181 HD13 ILE 24 2HD1 ILE 24 3.907 -6.007 -2.221 182 H ILE 25 H ILE 25 0.831 -6.081 -5.559 183 HA ILE 25 HA ILE 25 -1.934 -7.034 -5.962 184 HB ILE 25 HB ILE 25 -1.428 -4.255 -4.973 185 HG12 ILE 25 2HG1 ILE 25 -1.956 -6.446 -3.024 186 HG13 ILE 25 1HG1 ILE 25 -0.302 -6.038 -3.471 187 HG21 ILE 25 1HG2 ILE 25 -3.672 -4.520 -4.056 188 HG22 ILE 25 2HG2 ILE 25 -3.710 -6.173 -4.670 189 HG23 ILE 25 3HG2 ILE 25 -3.625 -4.816 -5.794 190 HD11 ILE 25 3HD1 ILE 25 -2.323 -4.151 -2.283 191 HD12 ILE 25 1HD1 ILE 25 -0.662 -3.748 -2.724 192 HD13 ILE 25 2HD1 ILE 25 -0.972 -4.907 -1.430 193 H GLY 26 H GLY 26 -3.171 -5.677 -7.522 194 HA2 GLY 26 2HA GLY 26 -1.463 -4.009 -9.217 195 HA3 GLY 26 1HA GLY 26 -2.213 -5.417 -9.945 196 H ALA 27 H ALA 27 -4.647 -5.497 -9.733 197 HA ALA 27 HA ALA 27 -5.480 -3.050 -11.018 198 HB1 ALA 27 3HB ALA 27 -7.415 -4.325 -11.735 199 HB2 ALA 27 1HB ALA 27 -6.957 -5.650 -10.663 200 HB3 ALA 27 2HB ALA 27 -5.928 -5.226 -12.031 201 H LEU 28 H LEU 28 -8.298 -3.507 -10.511 202 HA LEU 28 HA LEU 28 -8.559 -1.913 -8.088 203 HB2 LEU 28 2HB LEU 28 -9.631 -1.099 -10.120 204 HB3 LEU 28 1HB LEU 28 -10.514 -2.602 -10.287 205 HG LEU 28 HG LEU 28 -11.689 -2.068 -8.136 206 HD11 LEU 28 1HD1 LEU 28 -11.640 0.230 -7.333 207 HD12 LEU 28 2HD1 LEU 28 -10.387 0.626 -8.509 208 HD13 LEU 28 3HD1 LEU 28 -10.049 -0.518 -7.211 209 HD21 LEU 28 3HD2 LEU 28 -13.175 -0.389 -9.149 210 HD22 LEU 28 1HD2 LEU 28 -12.756 -1.679 -10.276 211 HD23 LEU 28 2HD2 LEU 28 -11.974 -0.106 -10.408 212 HA PRO 29 HA PRO 29 -9.823 -5.996 -6.484 213 HB2 PRO 29 2HB PRO 29 -8.628 -5.884 -4.110 214 HB3 PRO 29 1HB PRO 29 -7.679 -6.099 -5.587 215 HG2 PRO 29 2HG PRO 29 -8.092 -3.643 -3.940 216 HG3 PRO 29 1HG PRO 29 -6.626 -4.214 -4.758 217 HD2 PRO 29 2HD PRO 29 -8.394 -2.284 -5.737 218 HD3 PRO 29 1HD PRO 29 -7.187 -3.163 -6.693 219 H GLN 30 H GLN 30 -10.612 -2.854 -5.557 220 HA GLN 30 HA GLN 30 -12.307 -1.898 -4.396 221 HB2 GLN 30 2HB GLN 30 -13.702 -3.636 -5.486 222 HB3 GLN 30 1HB GLN 30 -13.387 -4.718 -4.139 223 HG2 GLN 30 2HG GLN 30 -14.548 -3.213 -2.629 224 HG3 GLN 30 1HG GLN 30 -14.815 -2.075 -3.948 225 HE21 GLN 30 1HE2 GLN 30 -16.721 -3.489 -2.225 226 HE22 GLN 30 2HE2 GLN 30 -17.764 -4.360 -3.294 227 H GLY 31 H GLY 31 -13.294 -1.792 -2.153 228 HA2 GLY 31 2HA GLY 31 -11.227 -2.227 -0.221 229 HA3 GLY 31 1HA GLY 31 -12.807 -1.522 0.084 230 H GLN 32 H GLN 32 -11.371 -4.671 -0.754 231 HA GLN 32 HA GLN 32 -13.355 -6.321 0.332 232 HB2 GLN 32 2HB GLN 32 -10.370 -6.819 0.223 233 HB3 GLN 32 1HB GLN 32 -11.608 -8.050 0.423 234 HG2 GLN 32 2HG GLN 32 -11.495 -6.276 -1.993 235 HG3 GLN 32 1HG GLN 32 -10.570 -7.772 -1.878 236 HE21 GLN 32 1HE2 GLN 32 -13.706 -6.363 -2.258 237 HE22 GLN 32 2HE2 GLN 32 -14.546 -7.829 -2.635 238 H LYS 33 H LYS 33 -10.186 -5.738 1.763 239 HA LYS 33 HA LYS 33 -11.379 -5.290 4.388 240 HB2 LYS 33 2HB LYS 33 -10.796 -7.669 4.358 241 HB3 LYS 33 1HB LYS 33 -9.173 -7.287 3.806 242 HG2 LYS 33 2HG LYS 33 -10.062 -6.080 6.363 243 HG3 LYS 33 1HG LYS 33 -9.735 -7.814 6.344 244 HD2 LYS 33 2HD LYS 33 -7.492 -7.406 5.506 245 HD3 LYS 33 1HD LYS 33 -7.818 -5.673 5.420 246 HE2 LYS 33 2HE LYS 33 -7.849 -7.322 7.945 247 HE3 LYS 33 1HE LYS 33 -6.507 -6.311 7.417 248 HZ1 LYS 33 3HZ LYS 33 -7.894 -5.192 9.053 249 HZ2 LYS 33 1HZ LYS 33 -9.248 -5.346 8.045 250 HZ3 LYS 33 2HZ LYS 33 -7.939 -4.377 7.568 251 H VAL 34 H VAL 34 -8.625 -5.186 2.240 252 HA VAL 34 HA VAL 34 -7.118 -3.343 3.835 253 HB VAL 34 HB VAL 34 -5.909 -4.862 2.418 254 HG11 VAL 34 1HG1 VAL 34 -6.091 -4.870 -0.004 255 HG12 VAL 34 2HG1 VAL 34 -7.354 -3.643 0.073 256 HG13 VAL 34 3HG1 VAL 34 -7.642 -5.249 0.744 257 HG21 VAL 34 3HG2 VAL 34 -4.515 -3.345 1.092 258 HG22 VAL 34 1HG2 VAL 34 -4.864 -2.693 2.694 259 HG23 VAL 34 2HG2 VAL 34 -5.727 -2.075 1.285 260 H GLN 35 H GLN 35 -7.672 -1.267 4.049 261 HA GLN 35 HA GLN 35 -8.867 0.111 1.733 262 HB2 GLN 35 2HB GLN 35 -10.347 1.280 3.111 263 HB3 GLN 35 1HB GLN 35 -10.351 -0.331 3.808 264 HG2 GLN 35 2HG GLN 35 -8.762 2.008 4.857 265 HG3 GLN 35 1HG GLN 35 -10.308 1.457 5.496 266 HE21 GLN 35 1HE2 GLN 35 -7.642 1.677 6.725 267 HE22 GLN 35 2HE2 GLN 35 -7.301 0.101 7.360 268 H VAL 36 H VAL 36 -6.061 -0.197 2.916 269 HA VAL 36 HA VAL 36 -4.173 1.045 3.183 270 HB VAL 36 HB VAL 36 -5.903 3.445 2.533 271 HG11 VAL 36 1HG1 VAL 36 -3.805 4.625 2.141 272 HG12 VAL 36 2HG1 VAL 36 -2.897 3.200 2.646 273 HG13 VAL 36 3HG1 VAL 36 -3.910 4.059 3.808 274 HG21 VAL 36 3HG2 VAL 36 -4.850 3.332 0.318 275 HG22 VAL 36 1HG2 VAL 36 -5.786 1.879 0.675 276 HG23 VAL 36 2HG2 VAL 36 -4.026 1.845 0.794 277 H ILE 37 H ILE 37 -3.360 1.215 5.148 278 HA ILE 37 HA ILE 37 -5.026 1.749 7.402 279 HB ILE 37 HB ILE 37 -2.002 1.603 7.354 280 HG12 ILE 37 2HG1 ILE 37 -3.518 -0.739 8.272 281 HG13 ILE 37 1HG1 ILE 37 -3.705 -0.397 6.554 282 HG21 ILE 37 1HG2 ILE 37 -2.931 2.559 9.395 283 HG22 ILE 37 2HG2 ILE 37 -2.238 0.966 9.701 284 HG23 ILE 37 3HG2 ILE 37 -3.987 1.158 9.578 285 HD11 ILE 37 3HD1 ILE 37 -1.306 -0.487 6.255 286 HD12 ILE 37 1HD1 ILE 37 -1.897 -1.974 6.998 287 HD13 ILE 37 2HD1 ILE 37 -1.083 -0.759 7.983 288 H SER 38 H SER 38 -2.270 3.451 5.959 289 HA SER 38 HA SER 38 -3.441 6.002 6.317 290 HB2 SER 38 2HB SER 38 -1.619 6.866 7.872 291 HB3 SER 38 1HB SER 38 -2.859 5.863 8.621 292 HG SER 38 HG SER 38 -0.314 5.506 8.807 293 H GLU 39 H GLU 39 -2.280 7.635 5.338 294 HA GLU 39 HA GLU 39 -0.351 6.656 3.405 295 HB2 GLU 39 2HB GLU 39 -1.569 9.406 3.626 296 HB3 GLU 39 1HB GLU 39 -0.690 8.749 2.261 297 HG2 GLU 39 2HG GLU 39 -2.777 8.428 1.477 298 HG3 GLU 39 1HG GLU 39 -2.621 6.929 2.392 299 H ASN 40 H ASN 40 1.746 6.982 3.542 300 HA ASN 40 HA ASN 40 2.753 8.611 5.759 301 HB2 ASN 40 2HB ASN 40 4.397 6.743 4.059 302 HB3 ASN 40 1HB ASN 40 4.795 7.406 5.631 303 HD21 ASN 40 1HD2 ASN 40 2.267 6.926 6.866 304 HD22 ASN 40 2HD2 ASN 40 2.146 5.218 7.111 305 H SER 41 H SER 41 5.020 9.483 5.205 306 HA SER 41 HA SER 41 4.874 11.494 3.278 307 HB2 SER 41 2HB SER 41 7.482 11.379 3.803 308 HB3 SER 41 1HB SER 41 6.319 11.980 4.985 309 HG SER 41 HG SER 41 7.935 10.232 5.607 310 H GLY 42 H GLY 42 4.197 10.076 1.475 311 HA2 GLY 42 2HA GLY 42 5.505 10.106 -0.724 312 HA3 GLY 42 1HA GLY 42 6.511 8.904 0.071 313 H TRP 43 H TRP 43 5.232 7.016 1.000 314 HA TRP 43 HA TRP 43 3.232 6.192 -0.996 315 HB2 TRP 43 2HB TRP 43 5.288 4.599 0.520 316 HB3 TRP 43 1HB TRP 43 3.920 3.839 -0.281 317 HD1 TRP 43 HD1 TRP 43 4.490 6.292 -2.711 318 HE1 TRP 43 HE1 TRP 43 6.188 5.581 -4.512 319 HE3 TRP 43 HE3 TRP 43 6.683 2.400 -0.244 320 HZ2 TRP 43 HZ2 TRP 43 8.197 3.603 -4.844 321 HZ3 TRP 43 HZ3 TRP 43 8.487 1.142 -1.362 322 HH2 TRP 43 HH2 TRP 43 9.225 1.739 -3.617 323 H SER 44 H SER 44 1.598 4.687 -0.239 324 HA SER 44 HA SER 44 0.763 5.340 2.504 325 HB2 SER 44 2HB SER 44 -0.917 4.210 0.255 326 HB3 SER 44 1HB SER 44 -1.490 4.893 1.780 327 HG SER 44 HG SER 44 -0.169 6.827 0.899 328 H LYS 45 H LYS 45 0.630 3.761 4.009 329 HA LYS 45 HA LYS 45 1.755 1.218 3.328 330 HB2 LYS 45 2HB LYS 45 2.465 2.453 5.296 331 HB3 LYS 45 1HB LYS 45 0.825 2.426 5.925 332 HG2 LYS 45 2HG LYS 45 0.934 0.021 6.161 333 HG3 LYS 45 1HG LYS 45 2.566 0.017 5.480 334 HD2 LYS 45 2HD LYS 45 1.712 1.457 7.984 335 HD3 LYS 45 1HD LYS 45 2.596 -0.056 7.915 336 HE2 LYS 45 2HE LYS 45 4.465 1.001 6.855 337 HE3 LYS 45 1HE LYS 45 3.567 2.507 6.692 338 HZ1 LYS 45 3HZ LYS 45 3.601 2.816 9.033 339 HZ2 LYS 45 1HZ LYS 45 5.189 2.466 8.555 340 HZ3 LYS 45 2HZ LYS 45 4.246 1.273 9.303 341 H ILE 46 H ILE 46 0.727 -0.648 3.120 342 HA ILE 46 HA ILE 46 -1.947 -0.974 4.261 343 HB ILE 46 HB ILE 46 -2.895 -2.004 2.310 344 HG12 ILE 46 2HG1 ILE 46 -0.692 -2.916 1.435 345 HG13 ILE 46 1HG1 ILE 46 -1.822 -2.326 0.223 346 HG21 ILE 46 1HG2 ILE 46 -1.661 0.646 1.604 347 HG22 ILE 46 2HG2 ILE 46 -3.194 0.376 2.436 348 HG23 ILE 46 3HG2 ILE 46 -3.008 -0.106 0.750 349 HD11 ILE 46 3HD1 ILE 46 0.580 -0.843 1.266 350 HD12 ILE 46 1HD1 ILE 46 -0.546 -0.257 0.042 351 HD13 ILE 46 2HD1 ILE 46 0.457 -1.669 -0.285 352 H ASN 47 H ASN 47 -2.499 -3.149 4.685 353 HA ASN 47 HA ASN 47 -0.261 -5.044 4.448 354 HB2 ASN 47 2HB ASN 47 -0.962 -4.525 6.787 355 HB3 ASN 47 1HB ASN 47 -2.574 -5.122 6.406 356 HD21 ASN 47 1HD2 ASN 47 -2.932 -7.310 6.261 357 HD22 ASN 47 2HD2 ASN 47 -1.757 -8.480 6.740 358 H TYR 48 H TYR 48 -0.556 -6.476 2.882 359 HA TYR 48 HA TYR 48 -3.321 -6.990 1.993 360 HB2 TYR 48 2HB TYR 48 -1.643 -5.649 0.499 361 HB3 TYR 48 1HB TYR 48 -0.929 -7.225 0.187 362 HD1 TYR 48 HD1 TYR 48 -4.084 -5.293 -0.095 363 HD2 TYR 48 HD2 TYR 48 -1.879 -8.669 -1.422 364 HE1 TYR 48 HE1 TYR 48 -5.763 -5.693 -1.839 365 HE2 TYR 48 HE2 TYR 48 -3.553 -9.077 -3.168 366 HH TYR 48 HH TYR 48 -5.930 -6.809 -4.008 367 H ASN 49 H ASN 49 -3.889 -8.954 2.636 368 HA ASN 49 HA ASN 49 -3.936 -11.204 2.911 369 HB2 ASN 49 2HB ASN 49 -3.197 -11.076 0.464 370 HB3 ASN 49 1HB ASN 49 -1.567 -11.389 1.050 371 HD21 ASN 49 1HD2 ASN 49 -1.486 -13.341 -0.087 372 HD22 ASN 49 2HD2 ASN 49 -2.344 -14.743 0.451 373 H GLY 50 H GLY 50 -2.352 -9.552 4.662 374 HA2 GLY 50 2HA GLY 50 -1.349 -10.227 6.669 375 HA3 GLY 50 1HA GLY 50 -0.877 -11.735 5.906 376 H GLN 51 H GLN 51 0.138 -9.645 3.670 377 HA GLN 51 HA GLN 51 2.753 -9.423 4.987 378 HB2 GLN 51 2HB GLN 51 3.762 -9.426 2.761 379 HB3 GLN 51 1HB GLN 51 2.789 -10.859 3.032 380 HG2 GLN 51 2HG GLN 51 0.934 -9.571 1.805 381 HG3 GLN 51 1HG GLN 51 2.248 -8.531 1.249 382 HE21 GLN 51 1HE2 GLN 51 3.866 -9.421 -0.086 383 HE22 GLN 51 2HE2 GLN 51 3.592 -10.882 -0.971 384 H THR 52 H THR 52 4.000 -7.572 4.763 385 HA THR 52 HA THR 52 2.368 -5.172 4.754 386 HB THR 52 HB THR 52 5.314 -5.499 5.361 387 HG1 THR 52 HG1 THR 52 3.719 -6.625 6.764 388 HG21 THR 52 3HG2 THR 52 3.407 -3.229 5.957 389 HG22 THR 52 1HG2 THR 52 4.726 -3.197 4.788 390 HG23 THR 52 2HG2 THR 52 5.079 -3.337 6.510 391 H GLY 53 H GLY 53 2.304 -3.667 3.197 392 HA2 GLY 53 2HA GLY 53 4.521 -3.475 1.303 393 HA3 GLY 53 1HA GLY 53 2.926 -3.812 0.646 394 H TYR 54 H TYR 54 4.058 -1.618 -0.276 395 HA TYR 54 HA TYR 54 2.491 0.515 0.999 396 HB2 TYR 54 2HB TYR 54 5.247 0.906 -0.200 397 HB3 TYR 54 1HB TYR 54 4.246 2.138 0.556 398 HD1 TYR 54 HD1 TYR 54 3.752 1.918 3.043 399 HD2 TYR 54 HD2 TYR 54 6.741 -0.373 1.064 400 HE1 TYR 54 HE1 TYR 54 4.820 1.447 5.206 401 HE2 TYR 54 HE2 TYR 54 7.811 -0.852 3.222 402 HH TYR 54 HH TYR 54 6.308 -0.338 6.174 403 H ILE 55 H ILE 55 1.546 1.972 -0.480 404 HA ILE 55 HA ILE 55 2.057 1.391 -3.320 405 HB ILE 55 HB ILE 55 -0.343 1.928 -3.796 406 HG12 ILE 55 2HG1 ILE 55 -1.814 1.304 -1.671 407 HG13 ILE 55 1HG1 ILE 55 -0.438 1.990 -0.814 408 HG21 ILE 55 1HG2 ILE 55 0.481 -0.350 -3.823 409 HG22 ILE 55 2HG2 ILE 55 -1.171 -0.291 -3.206 410 HG23 ILE 55 3HG2 ILE 55 0.179 -0.496 -2.090 411 HD11 ILE 55 3HD1 ILE 55 -2.153 3.657 -1.154 412 HD12 ILE 55 1HD1 ILE 55 -2.106 3.383 -2.898 413 HD13 ILE 55 2HD1 ILE 55 -0.706 4.072 -2.074 414 H GLY 56 H GLY 56 1.694 3.170 -4.785 415 HA2 GLY 56 2HA GLY 56 2.630 5.639 -3.665 416 HA3 GLY 56 1HA GLY 56 2.251 5.336 -5.357 417 H THR 57 H THR 57 1.500 7.375 -3.074 418 HA THR 57 HA THR 57 -1.322 7.244 -2.860 419 HB THR 57 HB THR 57 0.393 9.708 -2.525 420 HG1 THR 57 HG1 THR 57 0.004 7.436 -0.865 421 HG21 THR 57 3HG2 THR 57 -1.290 10.276 -0.809 422 HG22 THR 57 1HG2 THR 57 -2.193 8.821 -1.232 423 HG23 THR 57 2HG2 THR 57 -2.011 10.121 -2.410 424 H ARG 58 H ARG 58 0.649 8.080 -5.455 425 HA ARG 58 HA ARG 58 -0.752 10.132 -6.725 426 HB2 ARG 58 2HB ARG 58 0.647 7.788 -8.021 427 HB3 ARG 58 1HB ARG 58 0.275 9.325 -8.771 428 HG2 ARG 58 2HG ARG 58 1.802 10.435 -7.179 429 HG3 ARG 58 1HG ARG 58 2.227 8.842 -6.544 430 HD2 ARG 58 2HD ARG 58 2.940 8.178 -8.823 431 HD3 ARG 58 1HD ARG 58 2.625 9.825 -9.366 432 HE ARG 58 HE ARG 58 4.569 9.307 -7.217 433 HH11 ARG 58 1HH1 ARG 58 3.780 10.572 -10.383 434 HH12 ARG 58 2HH1 ARG 58 5.335 11.301 -10.633 435 HH21 ARG 58 1HH2 ARG 58 6.637 10.230 -7.548 436 HH22 ARG 58 2HH2 ARG 58 6.959 11.108 -9.014 437 H TYR 59 H TYR 59 -1.113 6.603 -6.897 438 HA TYR 59 HA TYR 59 -3.828 7.002 -7.907 439 HB2 TYR 59 2HB TYR 59 -1.614 5.442 -9.087 440 HB3 TYR 59 1HB TYR 59 -3.181 4.650 -9.075 441 HD1 TYR 59 HD2 TYR 59 -1.310 7.575 -10.275 442 HD2 TYR 59 HD1 TYR 59 -4.948 5.390 -10.503 443 HE1 TYR 59 HE2 TYR 59 -1.959 8.875 -12.253 444 HE2 TYR 59 HE1 TYR 59 -5.607 6.686 -12.483 445 HH TYR 59 HH TYR 59 -5.105 8.864 -13.499 446 H LEU 60 H LEU 60 -5.242 6.164 -6.614 447 HA LEU 60 HA LEU 60 -4.600 3.776 -5.047 448 HB2 LEU 60 2HB LEU 60 -4.226 6.044 -3.816 449 HB3 LEU 60 1HB LEU 60 -5.973 6.137 -3.781 450 HG LEU 60 HG LEU 60 -4.478 3.792 -2.616 451 HD11 LEU 60 1HD1 LEU 60 -4.684 4.884 -0.443 452 HD12 LEU 60 2HD1 LEU 60 -5.346 6.321 -1.222 453 HD13 LEU 60 3HD1 LEU 60 -3.681 5.835 -1.538 454 HD21 LEU 60 3HD2 LEU 60 -6.874 3.479 -3.051 455 HD22 LEU 60 1HD2 LEU 60 -7.231 4.920 -2.095 456 HD23 LEU 60 2HD2 LEU 60 -6.521 3.500 -1.323 457 H SER 61 H SER 61 -6.338 2.405 -4.853 458 HA SER 61 HA SER 61 -8.601 3.059 -6.521 459 HB2 SER 61 2HB SER 61 -7.873 0.520 -5.050 460 HB3 SER 61 1HB SER 61 -9.253 0.691 -6.135 461 HG SER 61 HG SER 61 -7.053 1.593 -7.357 462 H LYS 62 H LYS 62 -10.317 3.993 -5.781 463 HA LYS 62 HA LYS 62 -11.185 3.462 -3.024 464 HB2 LYS 62 2HB LYS 62 -10.677 5.867 -3.733 465 HB3 LYS 62 1HB LYS 62 -12.069 5.755 -4.796 466 HG2 LYS 62 2HG LYS 62 -12.623 6.892 -2.719 467 HG3 LYS 62 1HG LYS 62 -13.526 5.386 -2.881 468 HD2 LYS 62 2HD LYS 62 -12.713 5.650 -0.606 469 HD3 LYS 62 1HD LYS 62 -11.927 4.278 -1.383 470 HE2 LYS 62 2HE LYS 62 -9.941 5.630 -1.797 471 HE3 LYS 62 1HE LYS 62 -10.730 7.033 -1.077 472 HZ1 LYS 62 3HZ LYS 62 -9.201 5.911 0.465 473 HZ2 LYS 62 1HZ LYS 62 -10.137 4.499 0.362 474 HZ3 LYS 62 2HZ LYS 62 -10.795 5.900 1.033 475 H LEU 63 H LEU 63 -13.775 3.737 -2.997 476 HA LEU 63 HA LEU 63 -14.690 1.496 -4.457 477 HB2 LEU 63 2HB LEU 63 -16.013 3.493 -2.664 478 HB3 LEU 63 1HB LEU 63 -16.984 2.351 -3.571 479 HG LEU 63 HG LEU 63 -16.602 1.565 -1.297 480 HD11 LEU 63 1HD1 LEU 63 -15.751 -0.660 -1.818 481 HD12 LEU 63 2HD1 LEU 63 -15.105 -0.058 -3.342 482 HD13 LEU 63 3HD1 LEU 63 -16.846 -0.082 -3.073 483 HD21 LEU 63 3HD2 LEU 63 -14.361 0.919 -0.549 484 HD22 LEU 63 1HD2 LEU 63 -14.478 2.654 -0.846 485 HD23 LEU 63 2HD2 LEU 63 -13.678 1.611 -2.020 486 H GLU 64 H GLU 64 -15.921 4.844 -4.550 487 HA GLU 64 HA GLU 64 -16.958 6.044 -6.173 488 HB2 GLU 64 2HB GLU 64 -14.728 4.952 -7.395 489 HB3 GLU 64 1HB GLU 64 -16.026 4.458 -8.468 490 HG2 GLU 64 2HG GLU 64 -15.713 7.310 -7.599 491 HG3 GLU 64 1HG GLU 64 -14.804 6.654 -8.958 492 H HIS 65 H HIS 65 -18.385 5.587 -8.336 493 HA HIS 65 HA HIS 65 -19.956 3.174 -7.727 494 HB2 HIS 65 2HB HIS 65 -20.855 5.733 -7.455 495 HB3 HIS 65 1HB HIS 65 -21.358 5.364 -9.103 496 HD1 HIS 65 HD1 HIS 65 -23.308 3.768 -9.410 497 HD2 HIS 65 HD2 HIS 65 -22.029 4.076 -5.464 498 HE1 HIS 65 HE1 HIS 65 -25.063 2.607 -8.029 499 HE2 HIS 65 HE2 HIS 65 -24.371 2.999 -5.640 500 H HIS 66 H HIS 66 -18.470 2.161 -9.244 501 HA HIS 66 HA HIS 66 -19.111 2.748 -12.045 502 HB2 HIS 66 2HB HIS 66 -16.856 1.356 -10.688 503 HB3 HIS 66 1HB HIS 66 -17.314 0.786 -12.288 504 HD1 HIS 66 HD1 HIS 66 -16.204 1.934 -14.152 505 HD2 HIS 66 HD2 HIS 66 -16.324 4.292 -10.734 506 HE1 HIS 66 HE1 HIS 66 -14.929 4.023 -14.728 507 HE2 HIS 66 HE2 HIS 66 -15.256 5.537 -12.736 508 H HIS 67 H HIS 67 -21.090 1.888 -12.354 509 HA HIS 67 HA HIS 67 -21.753 -0.769 -11.456 510 HB2 HIS 67 2HB HIS 67 -23.444 1.075 -11.743 511 HB3 HIS 67 1HB HIS 67 -23.190 0.969 -13.481 512 HD1 HIS 67 HD1 HIS 67 -25.156 -0.434 -10.752 513 HD2 HIS 67 HD2 HIS 67 -24.050 -1.608 -14.587 514 HE1 HIS 67 HE1 HIS 67 -26.720 -2.304 -11.369 515 HE2 HIS 67 HE2 HIS 67 -25.876 -3.147 -13.590 516 H HIS 68 H HIS 68 -21.477 -2.636 -12.565 517 HA HIS 68 HA HIS 68 -21.075 -4.104 -14.272 518 HB2 HIS 68 2HB HIS 68 -22.738 -2.811 -15.555 519 HB3 HIS 68 1HB HIS 68 -21.488 -1.685 -16.059 520 HD1 HIS 68 HD1 HIS 68 -20.468 -2.147 -18.264 521 HD2 HIS 68 HD2 HIS 68 -22.221 -5.546 -16.610 522 HE1 HIS 68 HE1 HIS 68 -20.317 -3.929 -20.035 523 HE2 HIS 68 HE2 HIS 68 -21.461 -5.948 -19.051 524 H HIS 69 H HIS 69 -19.065 -2.088 -13.059 525 HA HIS 69 HA HIS 69 -16.835 -1.654 -13.115 526 HB2 HIS 69 2HB HIS 69 -16.847 -3.745 -15.296 527 HB3 HIS 69 1HB HIS 69 -15.382 -2.908 -14.804 528 HD1 HIS 69 HD1 HIS 69 -14.135 -3.868 -12.864 529 HD2 HIS 69 HD2 HIS 69 -18.010 -5.359 -13.165 530 HE1 HIS 69 HE1 HIS 69 -14.292 -5.709 -11.160 531 HE2 HIS 69 HE2 HIS 69 -16.554 -6.748 -11.535 532 H HIS 70 H HIS 70 -17.664 -2.133 -16.540 533 HA HIS 70 HA HIS 70 -17.665 0.704 -17.017 534 HB2 HIS 70 2HB HIS 70 -15.964 0.524 -18.886 535 HB3 HIS 70 1HB HIS 70 -15.312 0.437 -17.258 536 HD1 HIS 70 HD1 HIS 70 -16.206 -1.891 -20.127 537 HD2 HIS 70 HD2 HIS 70 -13.726 -1.732 -16.795 538 HE1 HIS 70 HE1 HIS 70 -14.714 -3.912 -20.295 539 HE2 HIS 70 HE2 HIS 70 -13.089 -3.677 -18.381 Start of MODEL 9 1 H1 MET 1 1H MET 1 -6.652 18.291 -4.893 2 H2 MET 1 2H MET 1 -7.741 18.877 -3.733 3 H3 MET 1 3H MET 1 -7.703 19.558 -5.285 4 HA MET 1 HA MET 1 -8.399 16.744 -4.727 5 HB2 MET 1 2HB MET 1 -10.750 17.432 -5.200 6 HB3 MET 1 1HB MET 1 -10.102 18.094 -3.707 7 HG2 MET 1 2HG MET 1 -9.689 20.227 -4.867 8 HG3 MET 1 1HG MET 1 -10.418 19.551 -6.324 9 HE1 MET 1 3HE MET 1 -12.144 21.531 -6.493 10 HE2 MET 1 1HE MET 1 -11.422 22.280 -5.070 11 HE3 MET 1 2HE MET 1 -13.170 22.063 -5.161 12 H ILE 2 H ILE 2 -7.454 15.822 -6.451 13 HA ILE 2 HA ILE 2 -8.347 16.756 -9.096 14 HB ILE 2 HB ILE 2 -5.539 15.852 -8.428 15 HG12 ILE 2 2HG1 ILE 2 -6.560 18.545 -9.363 16 HG13 ILE 2 1HG1 ILE 2 -6.049 18.172 -7.722 17 HG21 ILE 2 1HG2 ILE 2 -6.223 15.052 -10.613 18 HG22 ILE 2 2HG2 ILE 2 -5.042 16.350 -10.783 19 HG23 ILE 2 3HG2 ILE 2 -6.753 16.672 -11.065 20 HD11 ILE 2 3HD1 ILE 2 -4.303 18.108 -10.169 21 HD12 ILE 2 1HD1 ILE 2 -3.787 17.744 -8.522 22 HD13 ILE 2 2HD1 ILE 2 -4.328 19.372 -8.937 23 H GLY 3 H GLY 3 -9.480 15.224 -10.014 24 HA2 GLY 3 2HA GLY 3 -8.391 12.477 -9.970 25 HA3 GLY 3 1HA GLY 3 -10.127 12.783 -9.897 26 H ASP 4 H ASP 4 -11.115 13.897 -11.677 27 HA ASP 4 HA ASP 4 -11.580 14.211 -13.874 28 HB2 ASP 4 2HB ASP 4 -8.950 15.554 -13.427 29 HB3 ASP 4 1HB ASP 4 -9.652 15.549 -15.042 30 H TYR 5 H TYR 5 -11.214 11.717 -13.837 31 HA TYR 5 HA TYR 5 -10.729 9.856 -14.998 32 HB2 TYR 5 2HB TYR 5 -10.862 10.018 -17.425 33 HB3 TYR 5 1HB TYR 5 -12.077 11.013 -16.644 34 HD1 TYR 5 HD1 TYR 5 -8.953 11.056 -18.589 35 HD2 TYR 5 HD2 TYR 5 -12.100 13.403 -16.951 36 HE1 TYR 5 HE1 TYR 5 -8.249 12.958 -19.976 37 HE2 TYR 5 HE2 TYR 5 -11.397 15.314 -18.326 38 HH TYR 5 HH TYR 5 -9.336 16.116 -19.471 39 H TYR 6 H TYR 6 -8.266 11.588 -14.154 40 HA TYR 6 HA TYR 6 -6.342 10.084 -15.796 41 HB2 TYR 6 2HB TYR 6 -5.877 12.491 -15.626 42 HB3 TYR 6 1HB TYR 6 -5.846 12.371 -13.870 43 HD1 TYR 6 HD2 TYR 6 -4.100 11.330 -16.967 44 HD2 TYR 6 HD1 TYR 6 -3.885 11.665 -12.727 45 HE1 TYR 6 HE2 TYR 6 -1.701 10.803 -17.053 46 HE2 TYR 6 HE1 TYR 6 -1.483 11.137 -12.806 47 HH TYR 6 HH TYR 6 0.089 9.934 -14.339 48 H ILE 7 H ILE 7 -7.281 10.788 -12.481 49 HA ILE 7 HA ILE 7 -5.519 8.894 -11.292 50 HB ILE 7 HB ILE 7 -8.054 10.126 -10.197 51 HG12 ILE 7 2HG1 ILE 7 -6.384 11.815 -10.743 52 HG13 ILE 7 1HG1 ILE 7 -6.523 11.647 -8.997 53 HG21 ILE 7 1HG2 ILE 7 -7.483 8.087 -9.001 54 HG22 ILE 7 2HG2 ILE 7 -7.185 9.501 -7.989 55 HG23 ILE 7 3HG2 ILE 7 -5.836 8.671 -8.763 56 HD11 ILE 7 3HD1 ILE 7 -4.489 10.296 -8.969 57 HD12 ILE 7 1HD1 ILE 7 -4.213 11.890 -9.669 58 HD13 ILE 7 2HD1 ILE 7 -4.348 10.480 -10.716 59 H ASN 8 H ASN 8 -5.746 6.786 -11.057 60 HA ASN 8 HA ASN 8 -6.561 4.677 -11.075 61 HB2 ASN 8 2HB ASN 8 -8.367 5.396 -9.611 62 HB3 ASN 8 1HB ASN 8 -9.275 6.016 -10.986 63 HD21 ASN 8 1HD2 ASN 8 -10.375 4.601 -12.304 64 HD22 ASN 8 2HD2 ASN 8 -10.589 2.930 -11.913 65 H ALA 9 H ALA 9 -5.918 3.873 -12.969 66 HA ALA 9 HA ALA 9 -7.275 4.564 -15.426 67 HB1 ALA 9 3HB ALA 9 -5.674 3.069 -16.502 68 HB2 ALA 9 1HB ALA 9 -5.095 2.539 -14.922 69 HB3 ALA 9 2HB ALA 9 -4.853 4.210 -15.435 70 H SER 10 H SER 10 -6.377 1.307 -14.397 71 HA SER 10 HA SER 10 -9.189 0.514 -14.379 72 HB2 SER 10 2HB SER 10 -7.076 -0.966 -15.971 73 HB3 SER 10 1HB SER 10 -8.782 -1.391 -15.843 74 HG SER 10 HG SER 10 -8.524 -0.287 -17.747 75 H ALA 11 H ALA 11 -6.049 -1.188 -14.299 76 HA ALA 11 HA ALA 11 -6.846 -2.302 -11.683 77 HB1 ALA 11 3HB ALA 11 -6.674 -3.995 -13.421 78 HB2 ALA 11 1HB ALA 11 -5.402 -4.211 -12.221 79 HB3 ALA 11 2HB ALA 11 -5.026 -3.480 -13.782 80 H LEU 12 H LEU 12 -5.177 0.136 -12.703 81 HA LEU 12 HA LEU 12 -2.635 -0.386 -11.393 82 HB2 LEU 12 2HB LEU 12 -3.652 2.138 -12.701 83 HB3 LEU 12 1HB LEU 12 -2.015 1.858 -12.142 84 HG LEU 12 HG LEU 12 -3.375 0.367 -14.388 85 HD11 LEU 12 1HD1 LEU 12 -1.788 1.554 -15.824 86 HD12 LEU 12 2HD1 LEU 12 -1.229 2.477 -14.428 87 HD13 LEU 12 3HD1 LEU 12 -2.889 2.657 -14.997 88 HD21 LEU 12 3HD2 LEU 12 -0.528 0.246 -13.408 89 HD22 LEU 12 1HD2 LEU 12 -1.185 -0.601 -14.809 90 HD23 LEU 12 2HD2 LEU 12 -1.749 -1.008 -13.186 91 H ASN 13 H ASN 13 -3.919 -0.737 -9.336 92 HA ASN 13 HA ASN 13 -4.323 1.859 -7.986 93 HB2 ASN 13 2HB ASN 13 -5.722 -0.774 -7.494 94 HB3 ASN 13 1HB ASN 13 -5.880 0.635 -6.452 95 HD21 ASN 13 1HD2 ASN 13 -5.830 2.526 -8.646 96 HD22 ASN 13 2HD2 ASN 13 -7.373 2.399 -9.426 97 H VAL 14 H VAL 14 -3.590 -1.554 -7.231 98 HA VAL 14 HA VAL 14 -2.033 -0.609 -4.931 99 HB VAL 14 HB VAL 14 -2.822 -3.474 -5.403 100 HG11 VAL 14 1HG1 VAL 14 -2.699 -3.592 -2.962 101 HG12 VAL 14 2HG1 VAL 14 -2.268 -1.883 -2.901 102 HG13 VAL 14 3HG1 VAL 14 -1.177 -3.041 -3.663 103 HG21 VAL 14 3HG2 VAL 14 -4.503 -1.353 -4.067 104 HG22 VAL 14 1HG2 VAL 14 -4.835 -3.084 -4.049 105 HG23 VAL 14 2HG2 VAL 14 -4.881 -2.194 -5.568 106 H ARG 15 H ARG 15 -0.659 -0.156 -7.138 107 HA ARG 15 HA ARG 15 0.712 -2.480 -8.168 108 HB2 ARG 15 2HB ARG 15 1.254 0.425 -8.777 109 HB3 ARG 15 1HB ARG 15 1.735 -0.969 -9.736 110 HG2 ARG 15 2HG ARG 15 -1.084 -0.020 -9.259 111 HG3 ARG 15 1HG ARG 15 -0.151 0.162 -10.743 112 HD2 ARG 15 2HD ARG 15 -0.743 -2.526 -9.538 113 HD3 ARG 15 1HD ARG 15 -1.853 -1.733 -10.654 114 HE ARG 15 HE ARG 15 0.726 -1.800 -11.798 115 HH11 ARG 15 1HH1 ARG 15 -1.921 -3.926 -10.964 116 HH12 ARG 15 2HH1 ARG 15 -1.549 -5.099 -12.191 117 HH21 ARG 15 1HH2 ARG 15 1.179 -3.288 -13.470 118 HH22 ARG 15 2HH2 ARG 15 0.208 -4.717 -13.643 119 H SER 16 H SER 16 1.246 -2.173 -5.455 120 HA SER 16 HA SER 16 2.928 -2.236 -3.926 121 HB2 SER 16 2HB SER 16 5.022 -3.176 -4.649 122 HB3 SER 16 1HB SER 16 3.724 -3.935 -5.568 123 HG SER 16 HG SER 16 4.345 -1.968 -7.063 124 H GLY 17 H GLY 17 2.382 0.423 -5.264 125 HA2 GLY 17 2HA GLY 17 3.319 2.460 -4.330 126 HA3 GLY 17 1HA GLY 17 4.906 1.719 -4.467 127 H GLU 18 H GLU 18 6.094 2.464 -6.078 128 HA GLU 18 HA GLU 18 4.945 3.915 -8.288 129 HB2 GLU 18 2HB GLU 18 7.771 2.914 -8.276 130 HB3 GLU 18 1HB GLU 18 7.141 4.427 -8.896 131 HG2 GLU 18 2HG GLU 18 7.355 3.781 -5.973 132 HG3 GLU 18 1HG GLU 18 8.587 4.639 -6.890 133 H GLY 19 H GLY 19 7.298 1.324 -8.323 134 HA2 GLY 19 2HA GLY 19 5.607 -0.513 -9.755 135 HA3 GLY 19 1HA GLY 19 6.935 0.141 -10.717 136 H THR 20 H THR 20 7.003 -0.351 -7.294 137 HA THR 20 HA THR 20 9.586 -1.282 -7.162 138 HB THR 20 HB THR 20 7.617 -2.152 -5.088 139 HG1 THR 20 HG1 THR 20 6.902 -0.182 -4.806 140 HG21 THR 20 3HG2 THR 20 9.369 -1.333 -3.577 141 HG22 THR 20 1HG2 THR 20 10.301 -0.765 -4.963 142 HG23 THR 20 2HG2 THR 20 10.026 -2.493 -4.735 143 H ASN 21 H ASN 21 6.587 -3.183 -6.959 144 HA ASN 21 HA ASN 21 7.728 -5.457 -8.239 145 HB2 ASN 21 2HB ASN 21 8.731 -5.620 -5.932 146 HB3 ASN 21 1HB ASN 21 7.097 -5.755 -5.293 147 HD21 ASN 21 1HD2 ASN 21 7.568 -7.785 -4.438 148 HD22 ASN 21 2HD2 ASN 21 7.662 -9.194 -5.444 149 H TYR 22 H TYR 22 5.697 -4.348 -9.217 150 HA TYR 22 HA TYR 22 3.206 -4.737 -7.869 151 HB2 TYR 22 2HB TYR 22 2.190 -3.851 -9.933 152 HB3 TYR 22 1HB TYR 22 3.485 -2.826 -9.328 153 HD1 TYR 22 HD2 TYR 22 5.597 -2.649 -10.555 154 HD2 TYR 22 HD1 TYR 22 2.383 -5.010 -12.029 155 HE1 TYR 22 HE2 TYR 22 6.654 -2.691 -12.775 156 HE2 TYR 22 HE1 TYR 22 3.426 -5.059 -14.251 157 HH TYR 22 HH TYR 22 6.525 -4.384 -14.843 158 H ARG 23 H ARG 23 5.093 -6.969 -9.109 159 HA ARG 23 HA ARG 23 3.255 -8.530 -10.647 160 HB2 ARG 23 2HB ARG 23 5.693 -8.743 -10.906 161 HB3 ARG 23 1HB ARG 23 5.827 -9.309 -9.248 162 HG2 ARG 23 2HG ARG 23 4.580 -11.304 -9.788 163 HG3 ARG 23 1HG ARG 23 4.314 -10.723 -11.433 164 HD2 ARG 23 2HD ARG 23 6.116 -12.363 -11.362 165 HD3 ARG 23 1HD ARG 23 6.720 -10.779 -11.845 166 HE ARG 23 HE ARG 23 7.001 -11.046 -9.058 167 HH11 ARG 23 1HH1 ARG 23 8.317 -12.441 -11.994 168 HH12 ARG 23 2HH1 ARG 23 9.877 -12.753 -11.289 169 HH21 ARG 23 1HH2 ARG 23 9.046 -11.442 -8.143 170 HH22 ARG 23 2HH2 ARG 23 10.285 -12.200 -9.094 171 H ILE 24 H ILE 24 3.901 -8.043 -7.279 172 HA ILE 24 HA ILE 24 2.709 -10.516 -6.411 173 HB ILE 24 HB ILE 24 2.846 -9.577 -4.125 174 HG12 ILE 24 2HG1 ILE 24 4.064 -7.175 -5.504 175 HG13 ILE 24 1HG1 ILE 24 2.507 -7.202 -4.681 176 HG21 ILE 24 1HG2 ILE 24 4.712 -10.811 -5.083 177 HG22 ILE 24 2HG2 ILE 24 5.276 -9.540 -3.995 178 HG23 ILE 24 3HG2 ILE 24 5.369 -9.312 -5.741 179 HD11 ILE 24 3HD1 ILE 24 5.194 -7.640 -3.397 180 HD12 ILE 24 1HD1 ILE 24 3.639 -7.658 -2.566 181 HD13 ILE 24 2HD1 ILE 24 4.223 -6.170 -3.309 182 H ILE 25 H ILE 25 1.677 -7.127 -6.546 183 HA ILE 25 HA ILE 25 -1.086 -8.019 -6.093 184 HB ILE 25 HB ILE 25 -0.039 -5.453 -4.912 185 HG12 ILE 25 2HG1 ILE 25 -0.497 -7.947 -3.312 186 HG13 ILE 25 1HG1 ILE 25 1.088 -7.554 -3.973 187 HG21 ILE 25 1HG2 ILE 25 -2.052 -5.570 -3.568 188 HG22 ILE 25 2HG2 ILE 25 -2.496 -7.075 -4.374 189 HG23 ILE 25 3HG2 ILE 25 -2.417 -5.571 -5.292 190 HD11 ILE 25 3HD1 ILE 25 1.090 -5.458 -2.733 191 HD12 ILE 25 1HD1 ILE 25 0.884 -6.841 -1.660 192 HD13 ILE 25 2HD1 ILE 25 -0.503 -5.839 -2.082 193 H GLY 26 H GLY 26 -2.579 -7.031 -7.369 194 HA2 GLY 26 2HA GLY 26 -1.539 -5.013 -9.251 195 HA3 GLY 26 1HA GLY 26 -2.768 -6.198 -9.658 196 H ALA 27 H ALA 27 -4.821 -6.051 -8.456 197 HA ALA 27 HA ALA 27 -5.411 -3.454 -7.285 198 HB1 ALA 27 3HB ALA 27 -5.769 -3.115 -9.693 199 HB2 ALA 27 1HB ALA 27 -7.271 -2.993 -8.775 200 HB3 ALA 27 2HB ALA 27 -6.917 -4.452 -9.699 201 H LEU 28 H LEU 28 -6.027 -4.333 -5.374 202 HA LEU 28 HA LEU 28 -8.572 -5.758 -5.436 203 HB2 LEU 28 2HB LEU 28 -6.808 -7.462 -5.077 204 HB3 LEU 28 1HB LEU 28 -6.262 -6.576 -3.666 205 HG LEU 28 HG LEU 28 -8.446 -6.981 -2.582 206 HD11 LEU 28 1HD1 LEU 28 -10.007 -8.578 -3.552 207 HD12 LEU 28 2HD1 LEU 28 -9.005 -8.695 -4.998 208 HD13 LEU 28 3HD1 LEU 28 -9.808 -7.175 -4.603 209 HD21 LEU 28 3HD2 LEU 28 -8.093 -9.331 -2.107 210 HD22 LEU 28 1HD2 LEU 28 -6.543 -8.495 -2.213 211 HD23 LEU 28 2HD2 LEU 28 -7.099 -9.498 -3.555 212 HA PRO 29 HA PRO 29 -8.546 -2.192 -2.525 213 HB2 PRO 29 2HB PRO 29 -10.913 -1.252 -3.887 214 HB3 PRO 29 1HB PRO 29 -9.320 -0.497 -3.811 215 HG2 PRO 29 2HG PRO 29 -10.382 -1.533 -6.103 216 HG3 PRO 29 1HG PRO 29 -8.638 -1.423 -5.789 217 HD2 PRO 29 2HD PRO 29 -10.474 -3.778 -5.482 218 HD3 PRO 29 1HD PRO 29 -8.842 -3.707 -6.189 219 H GLN 30 H GLN 30 -9.353 -2.746 -0.644 220 HA GLN 30 HA GLN 30 -10.748 -3.408 1.011 221 HB2 GLN 30 2HB GLN 30 -12.526 -2.095 -0.119 222 HB3 GLN 30 1HB GLN 30 -12.930 -3.503 -1.085 223 HG2 GLN 30 2HG GLN 30 -12.995 -3.703 1.887 224 HG3 GLN 30 1HG GLN 30 -14.313 -2.898 1.039 225 HE21 GLN 30 1HE2 GLN 30 -14.093 -4.637 -1.297 226 HE22 GLN 30 2HE2 GLN 30 -14.770 -6.162 -0.831 227 H GLY 31 H GLY 31 -10.277 -5.304 1.788 228 HA2 GLY 31 2HA GLY 31 -11.319 -7.742 0.799 229 HA3 GLY 31 1HA GLY 31 -9.637 -7.560 0.306 230 H GLN 32 H GLN 32 -8.386 -6.476 2.365 231 HA GLN 32 HA GLN 32 -9.177 -7.928 4.789 232 HB2 GLN 32 2HB GLN 32 -6.325 -7.713 3.819 233 HB3 GLN 32 1HB GLN 32 -6.891 -8.567 5.245 234 HG2 GLN 32 2HG GLN 32 -8.054 -10.174 3.858 235 HG3 GLN 32 1HG GLN 32 -7.574 -9.292 2.406 236 HE21 GLN 32 1HE2 GLN 32 -6.560 -11.420 4.930 237 HE22 GLN 32 2HE2 GLN 32 -5.015 -11.819 4.255 238 H LYS 33 H LYS 33 -6.220 -6.122 4.251 239 HA LYS 33 HA LYS 33 -7.315 -3.866 5.793 240 HB2 LYS 33 2HB LYS 33 -4.490 -4.933 5.989 241 HB3 LYS 33 1HB LYS 33 -5.179 -3.613 6.923 242 HG2 LYS 33 2HG LYS 33 -6.720 -5.180 7.997 243 HG3 LYS 33 1HG LYS 33 -6.012 -6.501 7.065 244 HD2 LYS 33 2HD LYS 33 -3.816 -5.983 8.101 245 HD3 LYS 33 1HD LYS 33 -4.617 -4.770 9.102 246 HE2 LYS 33 2HE LYS 33 -5.239 -7.719 9.062 247 HE3 LYS 33 1HE LYS 33 -4.308 -6.882 10.303 248 HZ1 LYS 33 3HZ LYS 33 -6.648 -7.278 10.913 249 HZ2 LYS 33 1HZ LYS 33 -7.141 -6.276 9.640 250 HZ3 LYS 33 2HZ LYS 33 -6.237 -5.635 10.926 251 H VAL 34 H VAL 34 -6.552 -4.712 2.881 252 HA VAL 34 HA VAL 34 -4.705 -2.603 2.186 253 HB VAL 34 HB VAL 34 -4.406 -4.672 1.018 254 HG11 VAL 34 1HG1 VAL 34 -6.113 -5.620 -0.485 255 HG12 VAL 34 2HG1 VAL 34 -7.264 -4.415 0.095 256 HG13 VAL 34 3HG1 VAL 34 -6.618 -5.623 1.206 257 HG21 VAL 34 3HG2 VAL 34 -4.556 -3.943 -1.325 258 HG22 VAL 34 1HG2 VAL 34 -3.917 -2.683 -0.268 259 HG23 VAL 34 2HG2 VAL 34 -5.588 -2.602 -0.826 260 H GLN 35 H GLN 35 -5.929 -0.856 2.887 261 HA GLN 35 HA GLN 35 -7.572 0.297 0.844 262 HB2 GLN 35 2HB GLN 35 -9.200 -1.120 2.142 263 HB3 GLN 35 1HB GLN 35 -8.835 -0.155 3.564 264 HG2 GLN 35 2HG GLN 35 -9.681 1.836 2.441 265 HG3 GLN 35 1HG GLN 35 -10.032 0.881 1.002 266 HE21 GLN 35 1HE2 GLN 35 -11.784 2.457 2.758 267 HE22 GLN 35 2HE2 GLN 35 -13.018 1.359 3.281 268 H VAL 36 H VAL 36 -5.133 0.973 1.797 269 HA VAL 36 HA VAL 36 -3.829 2.530 2.782 270 HB VAL 36 HB VAL 36 -4.450 4.874 2.288 271 HG11 VAL 36 1HG1 VAL 36 -4.478 4.596 -0.153 272 HG12 VAL 36 2HG1 VAL 36 -4.865 2.890 0.063 273 HG13 VAL 36 3HG1 VAL 36 -3.324 3.522 0.634 274 HG21 VAL 36 3HG2 VAL 36 -6.461 5.369 0.998 275 HG22 VAL 36 1HG2 VAL 36 -6.877 4.761 2.600 276 HG23 VAL 36 2HG2 VAL 36 -7.010 3.703 1.195 277 H ILE 37 H ILE 37 -3.812 1.928 4.916 278 HA ILE 37 HA ILE 37 -5.823 2.832 6.755 279 HB ILE 37 HB ILE 37 -3.067 1.733 7.356 280 HG12 ILE 37 2HG1 ILE 37 -5.417 0.007 7.741 281 HG13 ILE 37 1HG1 ILE 37 -5.091 0.414 6.059 282 HG21 ILE 37 1HG2 ILE 37 -3.988 1.190 9.552 283 HG22 ILE 37 2HG2 ILE 37 -5.517 1.941 9.102 284 HG23 ILE 37 3HG2 ILE 37 -4.060 2.923 9.240 285 HD11 ILE 37 3HD1 ILE 37 -4.012 -1.668 6.679 286 HD12 ILE 37 1HD1 ILE 37 -3.144 -0.847 7.978 287 HD13 ILE 37 2HD1 ILE 37 -2.813 -0.430 6.298 288 H SER 38 H SER 38 -2.389 3.599 6.343 289 HA SER 38 HA SER 38 -2.894 6.369 7.109 290 HB2 SER 38 2HB SER 38 -0.874 6.329 8.590 291 HB3 SER 38 1HB SER 38 -2.201 5.345 9.208 292 HG SER 38 HG SER 38 -0.788 3.786 9.245 293 H GLU 39 H GLU 39 -0.750 7.642 6.743 294 HA GLU 39 HA GLU 39 0.641 6.518 4.419 295 HB2 GLU 39 2HB GLU 39 -0.576 9.272 4.623 296 HB3 GLU 39 1HB GLU 39 0.529 8.773 3.358 297 HG2 GLU 39 2HG GLU 39 -1.064 7.008 2.700 298 HG3 GLU 39 1HG GLU 39 -2.190 7.621 3.911 299 H ASN 40 H ASN 40 2.786 6.971 4.283 300 HA ASN 40 HA ASN 40 4.016 8.954 5.990 301 HB2 ASN 40 2HB ASN 40 3.633 6.946 7.482 302 HB3 ASN 40 1HB ASN 40 4.690 6.028 6.421 303 HD21 ASN 40 1HD2 ASN 40 4.930 6.702 9.270 304 HD22 ASN 40 2HD2 ASN 40 6.454 7.507 9.436 305 H SER 41 H SER 41 5.797 9.713 5.019 306 HA SER 41 HA SER 41 7.704 9.828 3.794 307 HB2 SER 41 2HB SER 41 8.226 7.615 4.809 308 HB3 SER 41 1HB SER 41 7.430 6.832 3.447 309 HG SER 41 HG SER 41 9.905 8.080 3.606 310 H GLY 42 H GLY 42 4.772 9.372 2.660 311 HA2 GLY 42 2HA GLY 42 4.244 10.352 0.507 312 HA3 GLY 42 1HA GLY 42 5.670 9.555 -0.146 313 H TRP 43 H TRP 43 5.127 7.043 1.213 314 HA TRP 43 HA TRP 43 3.107 6.048 -0.640 315 HB2 TRP 43 2HB TRP 43 5.313 4.770 0.935 316 HB3 TRP 43 1HB TRP 43 3.967 3.788 0.368 317 HD1 TRP 43 HD1 TRP 43 4.248 6.138 -2.304 318 HE1 TRP 43 HE1 TRP 43 5.749 5.285 -4.225 319 HE3 TRP 43 HE3 TRP 43 6.623 2.356 0.174 320 HZ2 TRP 43 HZ2 TRP 43 7.693 3.262 -4.608 321 HZ3 TRP 43 HZ3 TRP 43 8.287 1.012 -1.037 322 HH2 TRP 43 HH2 TRP 43 8.810 1.456 -3.378 323 H SER 44 H SER 44 1.523 4.489 0.097 324 HA SER 44 HA SER 44 0.424 5.314 2.685 325 HB2 SER 44 2HB SER 44 -0.942 3.812 0.443 326 HB3 SER 44 1HB SER 44 -1.712 4.557 1.846 327 HG SER 44 HG SER 44 -0.163 6.308 0.448 328 H LYS 45 H LYS 45 -0.179 3.877 4.241 329 HA LYS 45 HA LYS 45 1.254 1.385 4.324 330 HB2 LYS 45 2HB LYS 45 -0.362 3.061 6.207 331 HB3 LYS 45 1HB LYS 45 -0.003 1.398 6.626 332 HG2 LYS 45 2HG LYS 45 2.182 3.267 5.824 333 HG3 LYS 45 1HG LYS 45 1.545 3.264 7.471 334 HD2 LYS 45 2HD LYS 45 2.668 0.866 6.024 335 HD3 LYS 45 1HD LYS 45 3.521 1.825 7.239 336 HE2 LYS 45 2HE LYS 45 1.640 1.296 8.815 337 HE3 LYS 45 1HE LYS 45 1.041 0.159 7.614 338 HZ1 LYS 45 3HZ LYS 45 3.740 0.044 8.843 339 HZ2 LYS 45 1HZ LYS 45 3.069 -1.085 7.775 340 HZ3 LYS 45 2HZ LYS 45 2.415 -0.903 9.324 341 H ILE 46 H ILE 46 0.426 -0.493 3.689 342 HA ILE 46 HA ILE 46 -2.430 -1.030 4.093 343 HB ILE 46 HB ILE 46 -2.578 -2.188 1.907 344 HG12 ILE 46 2HG1 ILE 46 0.037 -0.809 1.271 345 HG13 ILE 46 1HG1 ILE 46 -0.121 -2.525 1.637 346 HG21 ILE 46 1HG2 ILE 46 -1.897 0.744 1.729 347 HG22 ILE 46 2HG2 ILE 46 -3.473 0.056 2.112 348 HG23 ILE 46 3HG2 ILE 46 -2.778 -0.176 0.509 349 HD11 ILE 46 3HD1 ILE 46 0.028 -2.144 -0.753 350 HD12 ILE 46 1HD1 ILE 46 -1.383 -1.091 -0.686 351 HD13 ILE 46 2HD1 ILE 46 -1.546 -2.810 -0.323 352 H ASN 47 H ASN 47 -2.927 -3.289 4.212 353 HA ASN 47 HA ASN 47 -0.569 -5.022 4.534 354 HB2 ASN 47 2HB ASN 47 -1.666 -4.474 6.715 355 HB3 ASN 47 1HB ASN 47 -3.140 -5.229 6.117 356 HD21 ASN 47 1HD2 ASN 47 0.103 -5.742 7.207 357 HD22 ASN 47 2HD2 ASN 47 -0.014 -7.458 7.412 358 H TYR 48 H TYR 48 -0.524 -6.600 3.125 359 HA TYR 48 HA TYR 48 -3.054 -7.481 1.883 360 HB2 TYR 48 2HB TYR 48 -1.533 -6.022 0.450 361 HB3 TYR 48 1HB TYR 48 -0.370 -7.339 0.500 362 HD1 TYR 48 HD1 TYR 48 -3.685 -6.318 -0.737 363 HD2 TYR 48 HD2 TYR 48 -0.655 -9.289 -0.862 364 HE1 TYR 48 HE1 TYR 48 -4.784 -7.342 -2.678 365 HE2 TYR 48 HE2 TYR 48 -1.744 -10.325 -2.804 366 HH TYR 48 HH TYR 48 -4.202 -8.789 -4.573 367 H ASN 49 H ASN 49 -3.434 -9.496 2.561 368 HA ASN 49 HA ASN 49 -3.174 -11.687 3.093 369 HB2 ASN 49 2HB ASN 49 -0.897 -11.312 1.159 370 HB3 ASN 49 1HB ASN 49 -1.153 -12.855 1.959 371 HD21 ASN 49 1HD2 ASN 49 -3.747 -10.705 0.959 372 HD22 ASN 49 2HD2 ASN 49 -4.371 -11.746 -0.278 373 H GLY 50 H GLY 50 -2.012 -9.663 4.806 374 HA2 GLY 50 2HA GLY 50 -1.218 -10.060 6.982 375 HA3 GLY 50 1HA GLY 50 -0.411 -11.503 6.400 376 H GLN 51 H GLN 51 0.647 -9.651 4.098 377 HA GLN 51 HA GLN 51 3.002 -8.894 5.647 378 HB2 GLN 51 2HB GLN 51 4.131 -8.608 3.471 379 HB3 GLN 51 1HB GLN 51 3.468 -10.215 3.691 380 HG2 GLN 51 2HG GLN 51 1.488 -9.461 2.335 381 HG3 GLN 51 1HG GLN 51 2.409 -8.006 1.963 382 HE21 GLN 51 1HE2 GLN 51 4.960 -9.384 1.826 383 HE22 GLN 51 2HE2 GLN 51 4.940 -10.299 0.360 384 H THR 52 H THR 52 3.792 -6.914 5.841 385 HA THR 52 HA THR 52 1.993 -4.709 5.437 386 HB THR 52 HB THR 52 4.838 -4.765 6.469 387 HG1 THR 52 HG1 THR 52 3.980 -5.134 8.389 388 HG21 THR 52 3HG2 THR 52 4.250 -2.547 5.649 389 HG22 THR 52 1HG2 THR 52 4.316 -2.552 7.412 390 HG23 THR 52 2HG2 THR 52 2.758 -2.576 6.589 391 H GLY 53 H GLY 53 1.914 -3.458 3.682 392 HA2 GLY 53 2HA GLY 53 4.338 -3.220 2.032 393 HA3 GLY 53 1HA GLY 53 2.801 -3.628 1.284 394 H TYR 54 H TYR 54 4.031 -1.499 0.330 395 HA TYR 54 HA TYR 54 2.413 0.742 1.324 396 HB2 TYR 54 2HB TYR 54 5.290 0.832 0.396 397 HB3 TYR 54 1HB TYR 54 4.290 2.257 0.620 398 HD1 TYR 54 HD2 TYR 54 6.127 -0.431 2.307 399 HD2 TYR 54 HD1 TYR 54 3.776 3.075 2.828 400 HE1 TYR 54 HE2 TYR 54 6.850 -0.302 4.653 401 HE2 TYR 54 HE1 TYR 54 4.501 3.221 5.170 402 HH TYR 54 HH TYR 54 7.106 1.476 6.405 403 H ILE 55 H ILE 55 1.554 2.063 -0.293 404 HA ILE 55 HA ILE 55 2.345 1.476 -3.053 405 HB ILE 55 HB ILE 55 -0.086 1.812 -3.739 406 HG12 ILE 55 2HG1 ILE 55 -1.636 0.832 -1.865 407 HG13 ILE 55 1HG1 ILE 55 -0.407 1.470 -0.782 408 HG21 ILE 55 1HG2 ILE 55 0.704 -0.673 -2.240 409 HG22 ILE 55 2HG2 ILE 55 1.023 -0.314 -3.938 410 HG23 ILE 55 3HG2 ILE 55 -0.634 -0.556 -3.383 411 HD11 ILE 55 3HD1 ILE 55 -2.229 3.039 -1.048 412 HD12 ILE 55 1HD1 ILE 55 -1.985 3.049 -2.796 413 HD13 ILE 55 2HD1 ILE 55 -0.739 3.698 -1.728 414 H GLY 56 H GLY 56 1.669 3.218 -4.585 415 HA2 GLY 56 2HA GLY 56 2.384 5.743 -3.362 416 HA3 GLY 56 1HA GLY 56 2.248 5.415 -5.083 417 H THR 57 H THR 57 1.090 7.420 -2.987 418 HA THR 57 HA THR 57 -1.698 7.127 -2.927 419 HB THR 57 HB THR 57 -0.194 9.743 -2.849 420 HG1 THR 57 HG1 THR 57 -0.705 8.654 -0.413 421 HG21 THR 57 3HG2 THR 57 -2.754 8.836 -1.519 422 HG22 THR 57 1HG2 THR 57 -2.636 9.943 -2.890 423 HG23 THR 57 2HG2 THR 57 -1.993 10.415 -1.316 424 H ARG 58 H ARG 58 0.348 8.015 -5.506 425 HA ARG 58 HA ARG 58 -1.175 9.888 -6.891 426 HB2 ARG 58 2HB ARG 58 0.675 7.771 -7.990 427 HB3 ARG 58 1HB ARG 58 0.102 9.180 -8.863 428 HG2 ARG 58 2HG ARG 58 1.239 10.644 -7.294 429 HG3 ARG 58 1HG ARG 58 1.796 9.240 -6.381 430 HD2 ARG 58 2HD ARG 58 2.929 8.458 -8.482 431 HD3 ARG 58 1HD ARG 58 2.535 10.024 -9.193 432 HE ARG 58 HE ARG 58 3.887 11.036 -7.399 433 HH11 ARG 58 1HH1 ARG 58 4.335 7.673 -8.198 434 HH12 ARG 58 2HH1 ARG 58 5.939 7.575 -7.528 435 HH21 ARG 58 1HH2 ARG 58 6.013 10.949 -6.520 436 HH22 ARG 58 2HH2 ARG 58 6.886 9.441 -6.568 437 H TYR 59 H TYR 59 -1.151 6.321 -7.200 438 HA TYR 59 HA TYR 59 -3.697 6.609 -8.630 439 HB2 TYR 59 2HB TYR 59 -1.341 4.907 -9.153 440 HB3 TYR 59 1HB TYR 59 -2.909 4.139 -9.357 441 HD1 TYR 59 HD2 TYR 59 -0.778 6.924 -10.509 442 HD2 TYR 59 HD1 TYR 59 -4.311 4.664 -11.190 443 HE1 TYR 59 HE2 TYR 59 -1.012 7.972 -12.724 444 HE2 TYR 59 HE1 TYR 59 -4.560 5.701 -13.401 445 HH TYR 59 HH TYR 59 -3.839 7.865 -14.497 446 H LEU 60 H LEU 60 -5.323 6.066 -7.485 447 HA LEU 60 HA LEU 60 -5.331 3.578 -5.955 448 HB2 LEU 60 2HB LEU 60 -5.754 6.302 -4.843 449 HB3 LEU 60 1HB LEU 60 -6.941 5.101 -4.382 450 HG LEU 60 HG LEU 60 -5.371 5.097 -2.648 451 HD11 LEU 60 1HD1 LEU 60 -5.961 2.857 -3.338 452 HD12 LEU 60 2HD1 LEU 60 -4.294 2.899 -2.766 453 HD13 LEU 60 3HD1 LEU 60 -4.631 2.837 -4.497 454 HD21 LEU 60 3HD2 LEU 60 -3.625 6.390 -3.734 455 HD22 LEU 60 1HD2 LEU 60 -3.186 4.996 -4.718 456 HD23 LEU 60 2HD2 LEU 60 -2.953 4.948 -2.971 457 H SER 61 H SER 61 -7.781 3.242 -5.254 458 HA SER 61 HA SER 61 -9.282 3.426 -7.712 459 HB2 SER 61 2HB SER 61 -10.216 2.291 -5.069 460 HB3 SER 61 1HB SER 61 -10.812 1.903 -6.683 461 HG SER 61 HG SER 61 -8.817 0.927 -7.133 462 H LYS 62 H LYS 62 -10.514 5.103 -8.155 463 HA LYS 62 HA LYS 62 -11.498 6.819 -5.997 464 HB2 LYS 62 2HB LYS 62 -10.276 7.597 -8.209 465 HB3 LYS 62 1HB LYS 62 -11.875 7.408 -8.913 466 HG2 LYS 62 2HG LYS 62 -11.586 9.689 -8.289 467 HG3 LYS 62 1HG LYS 62 -12.757 8.959 -7.187 468 HD2 LYS 62 2HD LYS 62 -10.928 8.621 -5.543 469 HD3 LYS 62 1HD LYS 62 -9.832 9.472 -6.634 470 HE2 LYS 62 2HE LYS 62 -11.295 11.460 -6.491 471 HE3 LYS 62 1HE LYS 62 -12.305 10.604 -5.327 472 HZ1 LYS 62 3HZ LYS 62 -10.236 10.368 -3.944 473 HZ2 LYS 62 1HZ LYS 62 -10.836 11.948 -4.088 474 HZ3 LYS 62 2HZ LYS 62 -9.489 11.472 -4.999 475 H LEU 63 H LEU 63 -13.725 7.164 -5.692 476 HA LEU 63 HA LEU 63 -15.316 4.903 -6.356 477 HB2 LEU 63 2HB LEU 63 -15.927 7.493 -4.970 478 HB3 LEU 63 1HB LEU 63 -17.195 6.339 -5.338 479 HG LEU 63 HG LEU 63 -15.794 4.631 -4.045 480 HD11 LEU 63 1HD1 LEU 63 -14.480 7.151 -3.042 481 HD12 LEU 63 2HD1 LEU 63 -13.703 5.883 -3.992 482 HD13 LEU 63 3HD1 LEU 63 -14.281 5.536 -2.360 483 HD21 LEU 63 3HD2 LEU 63 -17.030 6.975 -2.616 484 HD22 LEU 63 1HD2 LEU 63 -16.682 5.406 -1.892 485 HD23 LEU 63 2HD2 LEU 63 -17.865 5.532 -3.193 486 H GLU 64 H GLU 64 -14.803 7.933 -7.888 487 HA GLU 64 HA GLU 64 -17.196 7.870 -9.464 488 HB2 GLU 64 2HB GLU 64 -14.624 9.403 -9.908 489 HB3 GLU 64 1HB GLU 64 -16.105 9.629 -10.823 490 HG2 GLU 64 2HG GLU 64 -16.132 11.370 -9.301 491 HG3 GLU 64 1HG GLU 64 -17.190 10.168 -8.565 492 H HIS 65 H HIS 65 -17.319 5.867 -10.435 493 HA HIS 65 HA HIS 65 -15.224 5.276 -12.425 494 HB2 HIS 65 2HB HIS 65 -17.199 3.423 -11.079 495 HB3 HIS 65 1HB HIS 65 -16.210 2.951 -12.451 496 HD1 HIS 65 HD1 HIS 65 -13.463 3.773 -11.781 497 HD2 HIS 65 HD2 HIS 65 -16.095 2.401 -8.866 498 HE1 HIS 65 HE1 HIS 65 -12.015 2.862 -9.932 499 HE2 HIS 65 HE2 HIS 65 -13.625 1.966 -8.211 500 H HIS 66 H HIS 66 -18.645 4.447 -12.053 501 HA HIS 66 HA HIS 66 -20.407 4.446 -13.474 502 HB2 HIS 66 2HB HIS 66 -18.826 6.686 -14.736 503 HB3 HIS 66 1HB HIS 66 -20.381 6.161 -15.367 504 HD1 HIS 66 HD1 HIS 66 -21.543 8.365 -14.849 505 HD2 HIS 66 HD2 HIS 66 -19.857 6.553 -11.504 506 HE1 HIS 66 HE1 HIS 66 -22.440 9.631 -12.867 507 HE2 HIS 66 HE2 HIS 66 -21.339 8.577 -10.863 508 H HIS 67 H HIS 67 -21.043 4.025 -15.809 509 HA HIS 67 HA HIS 67 -18.812 2.828 -17.290 510 HB2 HIS 67 2HB HIS 67 -20.427 1.312 -18.409 511 HB3 HIS 67 1HB HIS 67 -20.305 1.028 -16.683 512 HD1 HIS 67 HD1 HIS 67 -22.693 1.915 -19.365 513 HD2 HIS 67 HD2 HIS 67 -22.631 1.777 -15.202 514 HE1 HIS 67 HE1 HIS 67 -25.103 1.982 -18.642 515 HE2 HIS 67 HE2 HIS 67 -25.050 1.741 -16.131 516 H HIS 68 H HIS 68 -18.226 4.538 -18.424 517 HA HIS 68 HA HIS 68 -20.241 6.115 -19.846 518 HB2 HIS 68 2HB HIS 68 -18.142 7.007 -18.515 519 HB3 HIS 68 1HB HIS 68 -17.283 6.634 -20.003 520 HD1 HIS 68 HD1 HIS 68 -19.014 9.295 -18.371 521 HD2 HIS 68 HD2 HIS 68 -18.590 8.059 -22.324 522 HE1 HIS 68 HE1 HIS 68 -19.634 11.283 -19.779 523 HE2 HIS 68 HE2 HIS 68 -19.520 10.471 -22.158 524 H HIS 69 H HIS 69 -18.779 3.341 -20.303 525 HA HIS 69 HA HIS 69 -18.120 1.976 -21.929 526 HB2 HIS 69 2HB HIS 69 -19.272 2.008 -24.054 527 HB3 HIS 69 1HB HIS 69 -20.398 2.342 -22.752 528 HD1 HIS 69 HD1 HIS 69 -21.870 4.313 -23.055 529 HD2 HIS 69 HD2 HIS 69 -18.554 4.441 -25.562 530 HE1 HIS 69 HE1 HIS 69 -22.238 6.285 -24.564 531 HE2 HIS 69 HE2 HIS 69 -20.122 6.471 -25.916 532 H HIS 70 H HIS 70 -16.363 1.594 -23.063 533 HA HIS 70 HA HIS 70 -14.866 3.948 -23.980 534 HB2 HIS 70 2HB HIS 70 -13.841 2.361 -22.288 535 HB3 HIS 70 1HB HIS 70 -13.791 1.156 -23.572 536 HD1 HIS 70 HD1 HIS 70 -11.885 1.310 -25.239 537 HD2 HIS 70 HD2 HIS 70 -12.116 4.608 -22.708 538 HE1 HIS 70 HE1 HIS 70 -9.786 2.639 -25.656 539 HE2 HIS 70 HE2 HIS 70 -9.958 4.647 -24.138 Start of MODEL 10 1 H1 MET 1 1H MET 1 -11.440 -7.051 -11.058 2 H2 MET 1 2H MET 1 -13.010 -7.032 -10.429 3 H3 MET 1 3H MET 1 -11.970 -5.718 -10.161 4 HA MET 1 HA MET 1 -13.000 -6.590 -12.790 5 HB2 MET 1 2HB MET 1 -14.204 -4.367 -12.713 6 HB3 MET 1 1HB MET 1 -14.823 -5.610 -11.639 7 HG2 MET 1 2HG MET 1 -14.871 -3.672 -10.369 8 HG3 MET 1 1HG MET 1 -13.414 -4.497 -9.826 9 HE1 MET 1 3HE MET 1 -12.514 -0.684 -9.556 10 HE2 MET 1 1HE MET 1 -12.751 -2.195 -8.677 11 HE3 MET 1 2HE MET 1 -14.137 -1.342 -9.356 12 H ILE 2 H ILE 2 -12.671 -4.722 -14.402 13 HA ILE 2 HA ILE 2 -9.866 -3.892 -14.080 14 HB ILE 2 HB ILE 2 -9.482 -4.245 -16.433 15 HG12 ILE 2 2HG1 ILE 2 -11.848 -3.749 -17.169 16 HG13 ILE 2 1HG1 ILE 2 -11.089 -5.114 -17.976 17 HG21 ILE 2 1HG2 ILE 2 -9.084 -6.112 -14.947 18 HG22 ILE 2 2HG2 ILE 2 -9.642 -6.687 -16.518 19 HG23 ILE 2 3HG2 ILE 2 -10.751 -6.655 -15.146 20 HD11 ILE 2 3HD1 ILE 2 -13.412 -5.572 -17.445 21 HD12 ILE 2 1HD1 ILE 2 -13.092 -5.277 -15.734 22 HD13 ILE 2 2HD1 ILE 2 -12.338 -6.650 -16.552 23 H GLY 3 H GLY 3 -9.330 -2.317 -16.005 24 HA2 GLY 3 2HA GLY 3 -11.152 -0.479 -17.000 25 HA3 GLY 3 1HA GLY 3 -10.637 0.120 -15.424 26 H ASP 4 H ASP 4 -9.237 -1.320 -18.349 27 HA ASP 4 HA ASP 4 -7.295 -1.001 -19.470 28 HB2 ASP 4 2HB ASP 4 -7.593 1.724 -18.237 29 HB3 ASP 4 1HB ASP 4 -6.146 1.309 -19.148 30 H TYR 5 H TYR 5 -5.559 -2.158 -18.962 31 HA TYR 5 HA TYR 5 -4.679 -2.277 -16.226 32 HB2 TYR 5 2HB TYR 5 -4.100 -3.816 -18.697 33 HB3 TYR 5 1HB TYR 5 -2.873 -3.825 -17.435 34 HD1 TYR 5 HD2 TYR 5 -3.430 -4.685 -15.177 35 HD2 TYR 5 HD1 TYR 5 -6.140 -5.055 -18.437 36 HE1 TYR 5 HE2 TYR 5 -4.666 -6.411 -13.942 37 HE2 TYR 5 HE1 TYR 5 -7.388 -6.785 -17.205 38 HH TYR 5 HH TYR 5 -6.864 -7.410 -13.879 39 H TYR 6 H TYR 6 -4.136 0.025 -16.268 40 HA TYR 6 HA TYR 6 -1.243 0.259 -16.647 41 HB2 TYR 6 2HB TYR 6 -3.225 2.441 -17.381 42 HB3 TYR 6 1HB TYR 6 -1.475 2.587 -17.416 43 HD1 TYR 6 HD2 TYR 6 -0.168 1.380 -19.151 44 HD2 TYR 6 HD1 TYR 6 -4.425 1.417 -19.168 45 HE1 TYR 6 HE2 TYR 6 -0.161 0.648 -21.496 46 HE2 TYR 6 HE1 TYR 6 -4.424 0.682 -21.512 47 HH TYR 6 HH TYR 6 -2.956 0.715 -23.451 48 H ILE 7 H ILE 7 -0.610 2.448 -15.399 49 HA ILE 7 HA ILE 7 -1.749 2.316 -12.769 50 HB ILE 7 HB ILE 7 0.068 4.462 -13.904 51 HG12 ILE 7 2HG1 ILE 7 1.122 2.270 -14.134 52 HG13 ILE 7 1HG1 ILE 7 1.919 3.200 -12.870 53 HG21 ILE 7 1HG2 ILE 7 -0.535 3.655 -11.060 54 HG22 ILE 7 2HG2 ILE 7 -1.032 5.148 -11.859 55 HG23 ILE 7 3HG2 ILE 7 0.677 4.841 -11.550 56 HD11 ILE 7 3HD1 ILE 7 1.650 0.871 -12.233 57 HD12 ILE 7 1HD1 ILE 7 -0.095 1.008 -12.439 58 HD13 ILE 7 2HD1 ILE 7 0.720 1.931 -11.174 59 H ASN 8 H ASN 8 -3.896 2.758 -12.933 60 HA ASN 8 HA ASN 8 -4.709 5.417 -13.862 61 HB2 ASN 8 2HB ASN 8 -4.999 3.950 -15.788 62 HB3 ASN 8 1HB ASN 8 -5.885 2.791 -14.805 63 HD21 ASN 8 1HD2 ASN 8 -7.746 2.842 -15.964 64 HD22 ASN 8 2HD2 ASN 8 -8.783 4.229 -16.043 65 H ALA 9 H ALA 9 -6.329 6.294 -12.694 66 HA ALA 9 HA ALA 9 -7.065 5.085 -10.225 67 HB1 ALA 9 3HB ALA 9 -8.379 7.090 -9.844 68 HB2 ALA 9 1HB ALA 9 -8.209 7.549 -11.540 69 HB3 ALA 9 2HB ALA 9 -6.793 7.514 -10.488 70 H SER 10 H SER 10 -8.195 3.237 -10.529 71 HA SER 10 HA SER 10 -10.962 3.399 -11.192 72 HB2 SER 10 2HB SER 10 -9.830 3.327 -13.466 73 HB3 SER 10 1HB SER 10 -9.250 1.719 -13.042 74 HG SER 10 HG SER 10 -11.626 2.443 -14.028 75 H ALA 11 H ALA 11 -8.125 1.316 -10.856 76 HA ALA 11 HA ALA 11 -8.995 0.013 -8.545 77 HB1 ALA 11 3HB ALA 11 -9.517 -2.217 -9.362 78 HB2 ALA 11 1HB ALA 11 -9.352 -1.667 -11.028 79 HB3 ALA 11 2HB ALA 11 -10.657 -1.044 -10.018 80 H LEU 12 H LEU 12 -7.059 0.040 -11.420 81 HA LEU 12 HA LEU 12 -5.338 -2.119 -10.732 82 HB2 LEU 12 2HB LEU 12 -4.959 0.075 -12.769 83 HB3 LEU 12 1HB LEU 12 -4.010 -1.390 -12.667 84 HG LEU 12 HG LEU 12 -5.492 -1.722 -14.451 85 HD11 LEU 12 1HD1 LEU 12 -6.931 -3.552 -13.734 86 HD12 LEU 12 2HD1 LEU 12 -6.708 -3.068 -12.051 87 HD13 LEU 12 3HD1 LEU 12 -5.334 -3.647 -12.996 88 HD21 LEU 12 3HD2 LEU 12 -7.751 -0.796 -12.684 89 HD22 LEU 12 1HD2 LEU 12 -7.897 -1.367 -14.344 90 HD23 LEU 12 2HD2 LEU 12 -7.020 0.123 -13.999 91 H ASN 13 H ASN 13 -5.510 0.570 -9.048 92 HA ASN 13 HA ASN 13 -2.685 1.264 -9.151 93 HB2 ASN 13 2HB ASN 13 -5.034 2.622 -7.858 94 HB3 ASN 13 1HB ASN 13 -3.373 3.116 -7.539 95 HD21 ASN 13 1HD2 ASN 13 -5.461 4.668 -8.762 96 HD22 ASN 13 2HD2 ASN 13 -4.914 5.072 -10.351 97 H VAL 14 H VAL 14 -4.452 -0.928 -7.559 98 HA VAL 14 HA VAL 14 -2.953 -0.766 -5.060 99 HB VAL 14 HB VAL 14 -4.795 -3.011 -5.900 100 HG11 VAL 14 1HG1 VAL 14 -3.399 -3.413 -3.934 101 HG12 VAL 14 2HG1 VAL 14 -5.100 -3.288 -3.488 102 HG13 VAL 14 3HG1 VAL 14 -4.010 -1.937 -3.191 103 HG21 VAL 14 3HG2 VAL 14 -5.566 -0.431 -4.537 104 HG22 VAL 14 1HG2 VAL 14 -6.620 -1.824 -4.777 105 HG23 VAL 14 2HG2 VAL 14 -6.021 -0.921 -6.169 106 H ARG 15 H ARG 15 -1.563 -1.014 -7.522 107 HA ARG 15 HA ARG 15 -0.808 -3.743 -7.998 108 HB2 ARG 15 2HB ARG 15 -0.906 -1.844 -9.698 109 HB3 ARG 15 1HB ARG 15 0.591 -1.259 -8.992 110 HG2 ARG 15 2HG ARG 15 0.929 -2.587 -11.041 111 HG3 ARG 15 1HG ARG 15 1.740 -3.275 -9.633 112 HD2 ARG 15 2HD ARG 15 0.142 -4.982 -9.414 113 HD3 ARG 15 1HD ARG 15 -0.999 -4.161 -10.475 114 HE ARG 15 HE ARG 15 0.790 -4.620 -12.259 115 HH11 ARG 15 1HH1 ARG 15 0.246 -6.706 -9.500 116 HH12 ARG 15 2HH1 ARG 15 0.581 -8.170 -10.378 117 HH21 ARG 15 1HH2 ARG 15 1.216 -6.544 -13.423 118 HH22 ARG 15 2HH2 ARG 15 1.101 -8.078 -12.611 119 H SER 16 H SER 16 -0.145 -1.803 -5.519 120 HA SER 16 HA SER 16 1.300 -1.945 -3.788 121 HB2 SER 16 2HB SER 16 1.290 -4.398 -4.229 122 HB3 SER 16 1HB SER 16 2.668 -4.177 -5.306 123 HG SER 16 HG SER 16 3.661 -3.137 -3.362 124 H GLY 17 H GLY 17 1.866 -0.534 -6.481 125 HA2 GLY 17 2HA GLY 17 3.736 1.209 -5.802 126 HA3 GLY 17 1HA GLY 17 4.744 -0.164 -6.239 127 H GLU 18 H GLU 18 5.512 -0.068 -8.211 128 HA GLU 18 HA GLU 18 3.938 0.723 -10.474 129 HB2 GLU 18 2HB GLU 18 4.540 2.907 -9.374 130 HB3 GLU 18 1HB GLU 18 6.229 2.525 -9.645 131 HG2 GLU 18 2HG GLU 18 4.306 2.643 -11.929 132 HG3 GLU 18 1HG GLU 18 5.027 4.109 -11.271 133 H GLY 19 H GLY 19 7.406 1.010 -9.713 134 HA2 GLY 19 2HA GLY 19 7.902 -1.385 -11.379 135 HA3 GLY 19 1HA GLY 19 8.900 0.062 -11.522 136 H THR 20 H THR 20 8.921 0.697 -8.756 137 HA THR 20 HA THR 20 11.039 -0.724 -7.686 138 HB THR 20 HB THR 20 10.450 1.433 -6.825 139 HG1 THR 20 HG1 THR 20 10.550 0.992 -4.608 140 HG21 THR 20 3HG2 THR 20 7.902 0.172 -5.824 141 HG22 THR 20 1HG2 THR 20 8.034 1.289 -7.183 142 HG23 THR 20 2HG2 THR 20 8.416 1.837 -5.551 143 H ASN 21 H ASN 21 7.630 -1.386 -7.574 144 HA ASN 21 HA ASN 21 7.956 -4.103 -6.893 145 HB2 ASN 21 2HB ASN 21 8.370 -3.316 -4.643 146 HB3 ASN 21 1HB ASN 21 6.967 -2.256 -4.703 147 HD21 ASN 21 1HD2 ASN 21 6.102 -3.200 -2.868 148 HD22 ASN 21 2HD2 ASN 21 5.383 -4.773 -2.888 149 H TYR 22 H TYR 22 6.436 -4.872 -8.207 150 HA TYR 22 HA TYR 22 3.734 -3.733 -7.978 151 HB2 TYR 22 2HB TYR 22 3.421 -4.125 -10.431 152 HB3 TYR 22 1HB TYR 22 4.584 -2.860 -10.053 153 HD1 TYR 22 HD2 TYR 22 6.968 -3.189 -10.490 154 HD2 TYR 22 HD1 TYR 22 4.124 -6.206 -11.464 155 HE1 TYR 22 HE2 TYR 22 8.646 -4.314 -11.895 156 HE2 TYR 22 HE1 TYR 22 5.797 -7.334 -12.867 157 HH TYR 22 HH TYR 22 9.113 -6.509 -12.815 158 H ARG 23 H ARG 23 5.407 -6.233 -7.151 159 HA ARG 23 HA ARG 23 4.077 -8.352 -8.622 160 HB2 ARG 23 2HB ARG 23 5.633 -9.837 -7.438 161 HB3 ARG 23 1HB ARG 23 6.470 -8.516 -8.244 162 HG2 ARG 23 2HG ARG 23 6.513 -7.318 -6.048 163 HG3 ARG 23 1HG ARG 23 5.885 -8.790 -5.306 164 HD2 ARG 23 2HD ARG 23 7.841 -10.023 -6.078 165 HD3 ARG 23 1HD ARG 23 8.464 -8.566 -6.855 166 HE ARG 23 HE ARG 23 8.055 -8.768 -3.940 167 HH11 ARG 23 1HH1 ARG 23 10.002 -7.898 -6.709 168 HH12 ARG 23 2HH1 ARG 23 11.258 -7.179 -5.755 169 HH21 ARG 23 1HH2 ARG 23 9.693 -7.839 -2.676 170 HH22 ARG 23 2HH2 ARG 23 11.077 -7.117 -3.461 171 H ILE 24 H ILE 24 3.712 -6.810 -5.537 172 HA ILE 24 HA ILE 24 2.856 -9.121 -4.111 173 HB ILE 24 HB ILE 24 2.281 -6.249 -3.384 174 HG12 ILE 24 2HG1 ILE 24 4.683 -6.562 -3.748 175 HG13 ILE 24 1HG1 ILE 24 4.337 -6.356 -2.035 176 HG21 ILE 24 1HG2 ILE 24 2.145 -7.101 -1.102 177 HG22 ILE 24 2HG2 ILE 24 2.469 -8.734 -1.684 178 HG23 ILE 24 3HG2 ILE 24 0.976 -7.915 -2.144 179 HD11 ILE 24 3HD1 ILE 24 6.002 -8.078 -2.400 180 HD12 ILE 24 1HD1 ILE 24 4.878 -8.970 -3.424 181 HD13 ILE 24 2HD1 ILE 24 4.531 -8.763 -1.708 182 H ILE 25 H ILE 25 0.974 -6.316 -5.334 183 HA ILE 25 HA ILE 25 -1.325 -8.129 -5.567 184 HB ILE 25 HB ILE 25 -1.801 -5.293 -4.703 185 HG12 ILE 25 2HG1 ILE 25 -2.155 -6.643 -2.383 186 HG13 ILE 25 1HG1 ILE 25 -0.740 -7.469 -3.031 187 HG21 ILE 25 1HG2 ILE 25 -3.683 -6.573 -5.531 188 HG22 ILE 25 2HG2 ILE 25 -3.867 -6.228 -3.812 189 HG23 ILE 25 3HG2 ILE 25 -3.361 -7.832 -4.340 190 HD11 ILE 25 3HD1 ILE 25 -0.100 -5.658 -1.557 191 HD12 ILE 25 1HD1 ILE 25 -0.994 -4.508 -2.551 192 HD13 ILE 25 2HD1 ILE 25 0.423 -5.329 -3.209 193 H GLY 26 H GLY 26 -3.150 -6.303 -6.669 194 HA2 GLY 26 2HA GLY 26 -1.796 -5.176 -8.994 195 HA3 GLY 26 1HA GLY 26 -2.922 -6.494 -9.282 196 H ALA 27 H ALA 27 -5.128 -6.118 -8.122 197 HA ALA 27 HA ALA 27 -5.905 -3.310 -8.054 198 HB1 ALA 27 3HB ALA 27 -6.046 -3.899 -10.439 199 HB2 ALA 27 1HB ALA 27 -7.632 -3.550 -9.752 200 HB3 ALA 27 2HB ALA 27 -7.145 -5.220 -10.041 201 H LEU 28 H LEU 28 -6.572 -3.629 -5.927 202 HA LEU 28 HA LEU 28 -9.192 -4.672 -5.553 203 HB2 LEU 28 2HB LEU 28 -7.550 -6.704 -5.461 204 HB3 LEU 28 1HB LEU 28 -7.114 -6.071 -3.888 205 HG LEU 28 HG LEU 28 -8.794 -7.916 -3.828 206 HD11 LEU 28 1HD1 LEU 28 -10.305 -6.861 -2.229 207 HD12 LEU 28 2HD1 LEU 28 -9.769 -5.268 -2.771 208 HD13 LEU 28 3HD1 LEU 28 -8.634 -6.355 -1.967 209 HD21 LEU 28 3HD2 LEU 28 -10.563 -5.870 -5.155 210 HD22 LEU 28 1HD2 LEU 28 -11.111 -7.396 -4.460 211 HD23 LEU 28 2HD2 LEU 28 -10.019 -7.399 -5.848 212 HA PRO 29 HA PRO 29 -7.888 -1.328 -2.749 213 HB2 PRO 29 2HB PRO 29 -10.251 0.120 -3.381 214 HB3 PRO 29 1HB PRO 29 -8.610 0.432 -3.947 215 HG2 PRO 29 2HG PRO 29 -10.733 -0.405 -5.532 216 HG3 PRO 29 1HG PRO 29 -9.019 -0.518 -5.966 217 HD2 PRO 29 2HD PRO 29 -10.852 -2.620 -4.896 218 HD3 PRO 29 1HD PRO 29 -9.532 -2.765 -6.077 219 H GLN 30 H GLN 30 -8.498 -3.131 -1.185 220 HA GLN 30 HA GLN 30 -9.436 -3.639 0.821 221 HB2 GLN 30 2HB GLN 30 -9.028 -1.129 1.033 222 HB3 GLN 30 1HB GLN 30 -10.740 -0.918 0.704 223 HG2 GLN 30 2HG GLN 30 -11.329 -2.117 2.696 224 HG3 GLN 30 1HG GLN 30 -9.646 -2.544 2.991 225 HE21 GLN 30 1HE2 GLN 30 -9.702 -1.598 5.017 226 HE22 GLN 30 2HE2 GLN 30 -9.699 0.121 5.247 227 H GLY 31 H GLY 31 -12.029 -2.748 1.833 228 HA2 GLY 31 2HA GLY 31 -14.324 -2.919 1.411 229 HA3 GLY 31 1HA GLY 31 -13.962 -3.582 -0.176 230 H GLN 32 H GLN 32 -13.262 -5.773 -0.316 231 HA GLN 32 HA GLN 32 -14.887 -7.510 1.208 232 HB2 GLN 32 2HB GLN 32 -14.229 -7.950 -1.121 233 HB3 GLN 32 1HB GLN 32 -12.557 -8.145 -0.612 234 HG2 GLN 32 2HG GLN 32 -13.263 -10.067 0.784 235 HG3 GLN 32 1HG GLN 32 -14.886 -9.905 0.112 236 HE21 GLN 32 1HE2 GLN 32 -11.967 -9.331 -1.721 237 HE22 GLN 32 2HE2 GLN 32 -12.113 -10.709 -2.762 238 H LYS 33 H LYS 33 -11.409 -6.906 1.202 239 HA LYS 33 HA LYS 33 -11.102 -7.954 3.880 240 HB2 LYS 33 2HB LYS 33 -11.011 -9.950 2.335 241 HB3 LYS 33 1HB LYS 33 -9.619 -9.220 1.558 242 HG2 LYS 33 2HG LYS 33 -8.884 -10.913 3.077 243 HG3 LYS 33 1HG LYS 33 -8.401 -9.337 3.698 244 HD2 LYS 33 2HD LYS 33 -10.101 -9.366 5.352 245 HD3 LYS 33 1HD LYS 33 -10.907 -10.744 4.598 246 HE2 LYS 33 2HE LYS 33 -9.609 -11.330 6.638 247 HE3 LYS 33 1HE LYS 33 -9.112 -12.209 5.194 248 HZ1 LYS 33 3HZ LYS 33 -7.220 -11.415 6.496 249 HZ2 LYS 33 1HZ LYS 33 -7.737 -9.813 6.291 250 HZ3 LYS 33 2HZ LYS 33 -7.242 -10.727 4.950 251 H VAL 34 H VAL 34 -8.725 -7.643 4.541 252 HA VAL 34 HA VAL 34 -6.749 -6.513 4.586 253 HB VAL 34 HB VAL 34 -7.490 -5.723 1.766 254 HG11 VAL 34 1HG1 VAL 34 -5.215 -4.903 1.501 255 HG12 VAL 34 2HG1 VAL 34 -4.879 -5.240 3.199 256 HG13 VAL 34 3HG1 VAL 34 -6.053 -3.999 2.763 257 HG21 VAL 34 3HG2 VAL 34 -5.492 -7.694 2.869 258 HG22 VAL 34 1HG2 VAL 34 -5.717 -7.311 1.163 259 HG23 VAL 34 2HG2 VAL 34 -7.016 -8.082 2.071 260 H GLN 35 H GLN 35 -6.078 -4.519 5.317 261 HA GLN 35 HA GLN 35 -8.007 -2.314 5.174 262 HB2 GLN 35 2HB GLN 35 -8.436 -3.550 7.256 263 HB3 GLN 35 1HB GLN 35 -6.752 -3.365 7.717 264 HG2 GLN 35 2HG GLN 35 -7.034 -0.953 7.838 265 HG3 GLN 35 1HG GLN 35 -8.717 -1.119 7.336 266 HE21 GLN 35 1HE2 GLN 35 -10.218 -1.957 8.782 267 HE22 GLN 35 2HE2 GLN 35 -9.893 -2.097 10.479 268 H VAL 36 H VAL 36 -7.107 -0.256 5.390 269 HA VAL 36 HA VAL 36 -4.234 -0.122 4.898 270 HB VAL 36 HB VAL 36 -5.672 1.129 3.370 271 HG11 VAL 36 1HG1 VAL 36 -6.589 2.646 5.813 272 HG12 VAL 36 2HG1 VAL 36 -7.563 1.561 4.816 273 HG13 VAL 36 3HG1 VAL 36 -6.960 3.077 4.142 274 HG21 VAL 36 3HG2 VAL 36 -4.073 2.951 5.169 275 HG22 VAL 36 1HG2 VAL 36 -4.620 3.346 3.538 276 HG23 VAL 36 2HG2 VAL 36 -3.462 2.038 3.790 277 H ILE 37 H ILE 37 -2.802 1.014 6.201 278 HA ILE 37 HA ILE 37 -3.717 1.441 8.945 279 HB ILE 37 HB ILE 37 -0.905 1.463 7.833 280 HG12 ILE 37 2HG1 ILE 37 -1.733 -0.734 9.605 281 HG13 ILE 37 1HG1 ILE 37 -2.566 -0.712 8.053 282 HG21 ILE 37 1HG2 ILE 37 -1.082 2.744 9.879 283 HG22 ILE 37 2HG2 ILE 37 -0.223 1.234 10.186 284 HG23 ILE 37 3HG2 ILE 37 -1.910 1.404 10.674 285 HD11 ILE 37 3HD1 ILE 37 -0.596 -2.117 7.967 286 HD12 ILE 37 1HD1 ILE 37 0.418 -0.755 8.458 287 HD13 ILE 37 2HD1 ILE 37 -0.417 -0.721 6.900 288 H SER 38 H SER 38 -1.655 3.128 6.574 289 HA SER 38 HA SER 38 -2.976 5.599 6.822 290 HB2 SER 38 2HB SER 38 -1.143 6.890 7.940 291 HB3 SER 38 1HB SER 38 -1.985 5.784 9.021 292 HG SER 38 HG SER 38 -0.090 4.336 8.144 293 H GLU 39 H GLU 39 -2.107 7.185 5.475 294 HA GLU 39 HA GLU 39 -0.229 6.053 3.525 295 HB2 GLU 39 2HB GLU 39 -1.316 7.555 1.878 296 HB3 GLU 39 1HB GLU 39 -2.397 6.357 2.557 297 HG2 GLU 39 2HG GLU 39 -2.264 9.163 3.600 298 HG3 GLU 39 1HG GLU 39 -3.297 8.697 2.255 299 H ASN 40 H ASN 40 1.536 7.112 2.935 300 HA ASN 40 HA ASN 40 2.137 9.690 4.188 301 HB2 ASN 40 2HB ASN 40 3.978 8.056 2.436 302 HB3 ASN 40 1HB ASN 40 4.414 9.307 3.591 303 HD21 ASN 40 1HD2 ASN 40 5.248 6.493 3.283 304 HD22 ASN 40 2HD2 ASN 40 4.984 5.768 4.835 305 H SER 41 H SER 41 3.428 11.195 2.586 306 HA SER 41 HA SER 41 1.702 11.795 0.406 307 HB2 SER 41 2HB SER 41 3.014 13.488 1.689 308 HB3 SER 41 1HB SER 41 4.482 12.872 0.935 309 HG SER 41 HG SER 41 3.085 13.299 -1.100 310 H GLY 42 H GLY 42 4.218 9.589 0.775 311 HA2 GLY 42 2HA GLY 42 4.727 9.485 -2.121 312 HA3 GLY 42 1HA GLY 42 5.733 8.739 -0.886 313 H TRP 43 H TRP 43 4.727 6.971 0.377 314 HA TRP 43 HA TRP 43 2.848 5.429 -1.290 315 HB2 TRP 43 2HB TRP 43 5.118 4.447 0.448 316 HB3 TRP 43 1HB TRP 43 3.905 3.393 -0.261 317 HD1 TRP 43 HD1 TRP 43 4.355 5.662 -2.961 318 HE1 TRP 43 HE1 TRP 43 6.171 4.893 -4.613 319 HE3 TRP 43 HE3 TRP 43 6.683 2.167 -0.046 320 HZ2 TRP 43 HZ2 TRP 43 8.304 3.049 -4.677 321 HZ3 TRP 43 HZ3 TRP 43 8.605 0.940 -0.984 322 HH2 TRP 43 HH2 TRP 43 9.396 1.372 -3.262 323 H SER 44 H SER 44 1.438 3.962 -0.129 324 HA SER 44 HA SER 44 0.786 4.933 2.577 325 HB2 SER 44 2HB SER 44 -1.003 5.264 0.918 326 HB3 SER 44 1HB SER 44 -1.001 3.537 0.567 327 HG SER 44 HG SER 44 -2.502 4.654 2.284 328 H LYS 45 H LYS 45 0.507 3.468 4.240 329 HA LYS 45 HA LYS 45 1.737 0.878 3.839 330 HB2 LYS 45 2HB LYS 45 1.134 2.635 6.155 331 HB3 LYS 45 1HB LYS 45 1.234 0.910 6.451 332 HG2 LYS 45 2HG LYS 45 3.447 1.740 4.842 333 HG3 LYS 45 1HG LYS 45 3.330 2.752 6.285 334 HD2 LYS 45 2HD LYS 45 4.734 0.737 6.600 335 HD3 LYS 45 1HD LYS 45 3.369 0.815 7.711 336 HE2 LYS 45 2HE LYS 45 2.132 -0.733 6.228 337 HE3 LYS 45 1HE LYS 45 3.559 -0.851 5.198 338 HZ1 LYS 45 3HZ LYS 45 3.542 -1.557 8.081 339 HZ2 LYS 45 1HZ LYS 45 4.782 -1.853 6.959 340 HZ3 LYS 45 2HZ LYS 45 3.305 -2.690 6.841 341 H ILE 46 H ILE 46 0.545 -0.794 3.318 342 HA ILE 46 HA ILE 46 -2.012 -1.188 4.721 343 HB ILE 46 HB ILE 46 -2.943 -2.294 2.726 344 HG12 ILE 46 2HG1 ILE 46 -0.518 -1.204 1.275 345 HG13 ILE 46 1HG1 ILE 46 -0.785 -2.900 1.666 346 HG21 ILE 46 1HG2 ILE 46 -2.077 0.552 2.258 347 HG22 ILE 46 2HG2 ILE 46 -3.504 0.022 3.148 348 HG23 ILE 46 3HG2 ILE 46 -3.388 -0.271 1.412 349 HD11 ILE 46 3HD1 ILE 46 -2.498 -1.217 -0.150 350 HD12 ILE 46 1HD1 ILE 46 -2.777 -2.910 0.252 351 HD13 ILE 46 2HD1 ILE 46 -1.337 -2.448 -0.651 352 H ASN 47 H ASN 47 -2.572 -3.430 5.061 353 HA ASN 47 HA ASN 47 -0.318 -5.275 4.673 354 HB2 ASN 47 2HB ASN 47 -1.310 -6.588 6.573 355 HB3 ASN 47 1HB ASN 47 -0.667 -5.018 7.032 356 HD21 ASN 47 1HD2 ASN 47 -2.080 -3.418 7.711 357 HD22 ASN 47 2HD2 ASN 47 -3.725 -3.740 8.130 358 H TYR 48 H TYR 48 -0.671 -6.656 3.075 359 HA TYR 48 HA TYR 48 -3.449 -7.187 2.312 360 HB2 TYR 48 2HB TYR 48 -1.676 -6.309 0.643 361 HB3 TYR 48 1HB TYR 48 -1.043 -7.952 0.671 362 HD1 TYR 48 HD1 TYR 48 -4.269 -6.143 0.201 363 HD2 TYR 48 HD2 TYR 48 -1.845 -9.446 -0.906 364 HE1 TYR 48 HE1 TYR 48 -5.953 -6.806 -1.460 365 HE2 TYR 48 HE2 TYR 48 -3.520 -10.127 -2.572 366 HH TYR 48 HH TYR 48 -6.031 -8.120 -3.566 367 H ASN 49 H ASN 49 -3.847 -8.641 3.971 368 HA ASN 49 HA ASN 49 -4.055 -10.648 4.975 369 HB2 ASN 49 2HB ASN 49 -3.372 -11.552 2.182 370 HB3 ASN 49 1HB ASN 49 -3.881 -12.657 3.456 371 HD21 ASN 49 1HD2 ASN 49 -5.198 -12.159 0.971 372 HD22 ASN 49 2HD2 ASN 49 -6.769 -11.529 1.353 373 H GLY 50 H GLY 50 -1.840 -9.604 5.842 374 HA2 GLY 50 2HA GLY 50 -0.185 -10.558 7.230 375 HA3 GLY 50 1HA GLY 50 -0.147 -11.961 6.176 376 H GLN 51 H GLN 51 -0.025 -9.902 3.868 377 HA GLN 51 HA GLN 51 2.879 -9.711 3.881 378 HB2 GLN 51 2HB GLN 51 0.784 -9.454 1.772 379 HB3 GLN 51 1HB GLN 51 2.341 -8.693 1.510 380 HG2 GLN 51 2HG GLN 51 2.394 -10.817 0.469 381 HG3 GLN 51 1HG GLN 51 3.412 -10.896 1.900 382 HE21 GLN 51 1HE2 GLN 51 -0.095 -11.038 1.934 383 HE22 GLN 51 2HE2 GLN 51 -0.202 -12.685 2.459 384 H THR 52 H THR 52 3.988 -7.798 3.459 385 HA THR 52 HA THR 52 2.650 -5.417 4.499 386 HB THR 52 HB THR 52 5.580 -5.897 3.899 387 HG1 THR 52 HG1 THR 52 5.483 -6.925 5.742 388 HG21 THR 52 3HG2 THR 52 4.198 -3.628 5.335 389 HG22 THR 52 1HG2 THR 52 5.013 -3.534 3.776 390 HG23 THR 52 2HG2 THR 52 5.943 -3.860 5.238 391 H GLY 53 H GLY 53 1.761 -4.077 3.077 392 HA2 GLY 53 2HA GLY 53 2.919 -4.013 0.363 393 HA3 GLY 53 1HA GLY 53 1.197 -3.903 0.688 394 H TYR 54 H TYR 54 3.092 -2.123 -0.693 395 HA TYR 54 HA TYR 54 2.204 0.332 0.660 396 HB2 TYR 54 2HB TYR 54 4.793 -0.115 -0.842 397 HB3 TYR 54 1HB TYR 54 4.184 1.471 -0.398 398 HD1 TYR 54 HD1 TYR 54 4.089 2.130 1.982 399 HD2 TYR 54 HD2 TYR 54 5.907 -1.512 0.744 400 HE1 TYR 54 HE1 TYR 54 5.269 1.996 4.130 401 HE2 TYR 54 HE2 TYR 54 7.086 -1.660 2.899 402 HH TYR 54 HH TYR 54 7.877 0.072 4.671 403 H ILE 55 H ILE 55 1.294 1.850 -0.729 404 HA ILE 55 HA ILE 55 1.379 1.224 -3.590 405 HB ILE 55 HB ILE 55 -1.020 2.021 -3.780 406 HG12 ILE 55 2HG1 ILE 55 -2.341 1.404 -1.612 407 HG13 ILE 55 1HG1 ILE 55 -0.815 1.734 -0.802 408 HG21 ILE 55 1HG2 ILE 55 -0.475 -0.280 -4.126 409 HG22 ILE 55 2HG2 ILE 55 -1.954 -0.198 -3.171 410 HG23 ILE 55 3HG2 ILE 55 -0.421 -0.582 -2.391 411 HD11 ILE 55 3HD1 ILE 55 -2.281 3.668 -0.775 412 HD12 ILE 55 1HD1 ILE 55 -2.341 3.659 -2.539 413 HD13 ILE 55 2HD1 ILE 55 -0.819 3.995 -1.710 414 H GLY 56 H GLY 56 0.858 3.101 -4.969 415 HA2 GLY 56 2HA GLY 56 2.290 5.380 -3.960 416 HA3 GLY 56 1HA GLY 56 1.638 5.188 -5.579 417 H THR 57 H THR 57 1.479 7.129 -3.031 418 HA THR 57 HA THR 57 -1.345 7.491 -2.753 419 HB THR 57 HB THR 57 0.790 9.522 -2.094 420 HG1 THR 57 HG1 THR 57 0.853 8.411 -0.035 421 HG21 THR 57 3HG2 THR 57 -0.753 10.140 -0.302 422 HG22 THR 57 1HG2 THR 57 -1.873 8.880 -0.819 423 HG23 THR 57 2HG2 THR 57 -1.548 10.259 -1.873 424 H ARG 58 H ARG 58 0.791 8.182 -5.209 425 HA ARG 58 HA ARG 58 -0.336 10.613 -6.199 426 HB2 ARG 58 2HB ARG 58 1.744 8.745 -6.985 427 HB3 ARG 58 1HB ARG 58 0.788 9.263 -8.368 428 HG2 ARG 58 2HG ARG 58 2.126 11.113 -6.402 429 HG3 ARG 58 1HG ARG 58 2.766 10.674 -7.989 430 HD2 ARG 58 2HD ARG 58 0.796 11.632 -9.058 431 HD3 ARG 58 1HD ARG 58 0.127 12.042 -7.480 432 HE ARG 58 HE ARG 58 2.394 13.371 -7.346 433 HH11 ARG 58 1HH1 ARG 58 0.191 13.060 -10.044 434 HH12 ARG 58 2HH1 ARG 58 0.588 14.602 -10.728 435 HH21 ARG 58 1HH2 ARG 58 2.917 15.414 -8.220 436 HH22 ARG 58 2HH2 ARG 58 2.156 15.946 -9.694 437 H TYR 59 H TYR 59 -0.669 7.195 -7.094 438 HA TYR 59 HA TYR 59 -3.224 7.865 -8.371 439 HB2 TYR 59 2HB TYR 59 -0.993 6.093 -9.236 440 HB3 TYR 59 1HB TYR 59 -2.634 5.592 -9.608 441 HD1 TYR 59 HD2 TYR 59 -0.232 8.387 -10.027 442 HD2 TYR 59 HD1 TYR 59 -3.765 6.499 -11.452 443 HE1 TYR 59 HE2 TYR 59 -0.210 9.850 -12.003 444 HE2 TYR 59 HE1 TYR 59 -3.754 7.955 -13.435 445 HH TYR 59 HH TYR 59 -2.881 10.078 -14.161 446 H LEU 60 H LEU 60 -4.896 7.024 -7.371 447 HA LEU 60 HA LEU 60 -4.596 4.484 -5.926 448 HB2 LEU 60 2HB LEU 60 -5.275 7.131 -4.827 449 HB3 LEU 60 1HB LEU 60 -6.374 5.848 -4.357 450 HG LEU 60 HG LEU 60 -3.383 5.737 -3.970 451 HD11 LEU 60 1HD1 LEU 60 -4.399 7.513 -2.610 452 HD12 LEU 60 2HD1 LEU 60 -3.845 6.164 -1.617 453 HD13 LEU 60 3HD1 LEU 60 -5.562 6.349 -1.975 454 HD21 LEU 60 3HD2 LEU 60 -5.634 4.007 -2.945 455 HD22 LEU 60 1HD2 LEU 60 -3.932 3.847 -2.506 456 HD23 LEU 60 2HD2 LEU 60 -4.447 3.554 -4.169 457 H SER 61 H SER 61 -6.818 3.747 -5.159 458 HA SER 61 HA SER 61 -9.024 4.549 -6.855 459 HB2 SER 61 2HB SER 61 -8.058 1.670 -6.787 460 HB3 SER 61 1HB SER 61 -9.457 2.286 -7.669 461 HG SER 61 HG SER 61 -7.384 3.750 -8.387 462 H LYS 62 H LYS 62 -11.030 3.994 -5.931 463 HA LYS 62 HA LYS 62 -10.800 3.011 -3.151 464 HB2 LYS 62 2HB LYS 62 -11.426 5.504 -3.680 465 HB3 LYS 62 1HB LYS 62 -13.008 4.830 -4.044 466 HG2 LYS 62 2HG LYS 62 -13.046 5.579 -1.796 467 HG3 LYS 62 1HG LYS 62 -13.009 3.815 -1.761 468 HD2 LYS 62 2HD LYS 62 -10.678 3.803 -1.221 469 HD3 LYS 62 1HD LYS 62 -10.549 5.541 -1.492 470 HE2 LYS 62 2HE LYS 62 -12.139 5.882 0.398 471 HE3 LYS 62 1HE LYS 62 -12.067 4.147 0.706 472 HZ1 LYS 62 3HZ LYS 62 -9.681 5.911 0.699 473 HZ2 LYS 62 1HZ LYS 62 -9.768 4.301 1.231 474 HZ3 LYS 62 2HZ LYS 62 -10.554 5.530 2.096 475 H LEU 63 H LEU 63 -13.415 3.627 -5.475 476 HA LEU 63 HA LEU 63 -14.121 0.788 -5.384 477 HB2 LEU 63 2HB LEU 63 -15.548 2.072 -3.771 478 HB3 LEU 63 1HB LEU 63 -16.147 3.014 -5.121 479 HG LEU 63 HG LEU 63 -17.147 1.021 -6.107 480 HD11 LEU 63 1HD1 LEU 63 -16.086 -0.411 -3.676 481 HD12 LEU 63 2HD1 LEU 63 -15.519 -0.624 -5.331 482 HD13 LEU 63 3HD1 LEU 63 -17.160 -1.098 -4.891 483 HD21 LEU 63 3HD2 LEU 63 -17.849 1.337 -3.193 484 HD22 LEU 63 1HD2 LEU 63 -18.876 0.627 -4.439 485 HD23 LEU 63 2HD2 LEU 63 -18.452 2.337 -4.513 486 H GLU 64 H GLU 64 -15.141 3.882 -6.805 487 HA GLU 64 HA GLU 64 -15.397 4.608 -8.923 488 HB2 GLU 64 2HB GLU 64 -13.253 2.552 -9.221 489 HB3 GLU 64 1HB GLU 64 -13.927 3.296 -10.663 490 HG2 GLU 64 2HG GLU 64 -11.877 4.403 -9.876 491 HG3 GLU 64 1HG GLU 64 -13.269 5.481 -9.911 492 H HIS 65 H HIS 65 -15.789 3.770 -11.307 493 HA HIS 65 HA HIS 65 -17.251 2.806 -12.750 494 HB2 HIS 65 2HB HIS 65 -16.801 0.439 -10.925 495 HB3 HIS 65 1HB HIS 65 -17.703 0.350 -12.437 496 HD1 HIS 65 HD1 HIS 65 -16.343 0.742 -14.647 497 HD2 HIS 65 HD2 HIS 65 -14.044 0.476 -11.191 498 HE1 HIS 65 HE1 HIS 65 -13.975 0.393 -15.428 499 HE2 HIS 65 HE2 HIS 65 -12.587 0.495 -13.325 500 H HIS 66 H HIS 66 -18.278 4.357 -10.669 501 HA HIS 66 HA HIS 66 -20.771 3.045 -9.896 502 HB2 HIS 66 2HB HIS 66 -21.150 5.130 -8.537 503 HB3 HIS 66 1HB HIS 66 -19.738 4.198 -8.068 504 HD1 HIS 66 HD1 HIS 66 -20.785 7.568 -8.956 505 HD2 HIS 66 HD2 HIS 66 -17.242 5.390 -9.046 506 HE1 HIS 66 HE1 HIS 66 -18.947 9.267 -9.203 507 HE2 HIS 66 HE2 HIS 66 -16.824 7.917 -9.394 508 H HIS 67 H HIS 67 -22.667 3.485 -10.806 509 HA HIS 67 HA HIS 67 -24.169 4.183 -12.344 510 HB2 HIS 67 2HB HIS 67 -22.709 6.790 -11.935 511 HB3 HIS 67 1HB HIS 67 -24.109 6.644 -12.989 512 HD1 HIS 67 HD1 HIS 67 -26.309 7.044 -11.905 513 HD2 HIS 67 HD2 HIS 67 -23.370 6.004 -9.152 514 HE1 HIS 67 HE1 HIS 67 -27.374 7.302 -9.645 515 HE2 HIS 67 HE2 HIS 67 -25.498 6.920 -8.006 516 H HIS 68 H HIS 68 -23.565 2.841 -14.008 517 HA HIS 68 HA HIS 68 -21.610 3.616 -15.970 518 HB2 HIS 68 2HB HIS 68 -22.259 1.246 -15.574 519 HB3 HIS 68 1HB HIS 68 -23.874 1.607 -16.168 520 HD1 HIS 68 HD1 HIS 68 -24.235 1.436 -18.647 521 HD2 HIS 68 HD2 HIS 68 -20.213 1.402 -17.612 522 HE1 HIS 68 HE1 HIS 68 -23.003 0.880 -20.759 523 HE2 HIS 68 HE2 HIS 68 -20.607 0.610 -20.043 524 H HIS 69 H HIS 69 -24.938 4.091 -15.362 525 HA HIS 69 HA HIS 69 -25.194 6.414 -16.874 526 HB2 HIS 69 2HB HIS 69 -25.183 4.781 -18.804 527 HB3 HIS 69 1HB HIS 69 -26.650 4.073 -18.139 528 HD1 HIS 69 HD1 HIS 69 -25.413 7.429 -19.432 529 HD2 HIS 69 HD2 HIS 69 -28.945 5.261 -19.004 530 HE1 HIS 69 HE1 HIS 69 -27.191 8.789 -20.568 531 HE2 HIS 69 HE2 HIS 69 -29.337 7.519 -20.219 532 H HIS 70 H HIS 70 -26.678 3.562 -15.528 533 HA HIS 70 HA HIS 70 -28.368 5.275 -13.872 534 HB2 HIS 70 2HB HIS 70 -29.873 4.418 -15.601 535 HB3 HIS 70 1HB HIS 70 -29.310 2.775 -15.309 536 HD1 HIS 70 HD1 HIS 70 -30.639 1.445 -13.677 537 HD2 HIS 70 HD2 HIS 70 -31.298 5.526 -13.254 538 HE1 HIS 70 HE1 HIS 70 -32.470 1.657 -11.974 539 HE2 HIS 70 HE2 HIS 70 -32.643 4.131 -11.538 Start of MODEL 11 1 H1 MET 1 1H MET 1 -10.110 16.315 0.960 2 H2 MET 1 2H MET 1 -10.085 14.856 1.820 3 H3 MET 1 3H MET 1 -11.487 15.326 0.988 4 HA MET 1 HA MET 1 -8.879 14.678 -0.242 5 HB2 MET 1 2HB MET 1 -10.037 12.682 -1.128 6 HB3 MET 1 1HB MET 1 -9.912 12.668 0.623 7 HG2 MET 1 2HG MET 1 -12.052 11.891 0.196 8 HG3 MET 1 1HG MET 1 -12.298 13.581 0.619 9 HE1 MET 1 3HE MET 1 -14.741 13.489 -0.400 10 HE2 MET 1 1HE MET 1 -14.502 11.793 -0.812 11 HE3 MET 1 2HE MET 1 -15.104 12.922 -2.029 12 H ILE 2 H ILE 2 -9.137 14.326 -2.614 13 HA ILE 2 HA ILE 2 -11.131 16.198 -3.732 14 HB ILE 2 HB ILE 2 -8.273 15.825 -4.664 15 HG12 ILE 2 2HG1 ILE 2 -8.491 17.184 -2.603 16 HG13 ILE 2 1HG1 ILE 2 -7.931 18.139 -3.970 17 HG21 ILE 2 1HG2 ILE 2 -9.764 16.185 -6.542 18 HG22 ILE 2 2HG2 ILE 2 -8.767 17.615 -6.269 19 HG23 ILE 2 3HG2 ILE 2 -10.453 17.602 -5.748 20 HD11 ILE 2 3HD1 ILE 2 -10.739 18.078 -2.890 21 HD12 ILE 2 1HD1 ILE 2 -10.182 19.033 -4.265 22 HD13 ILE 2 2HD1 ILE 2 -9.553 19.362 -2.650 23 H GLY 3 H GLY 3 -8.760 13.787 -4.896 24 HA2 GLY 3 2HA GLY 3 -9.368 11.658 -5.766 25 HA3 GLY 3 1HA GLY 3 -10.990 12.271 -6.059 26 H ASP 4 H ASP 4 -9.458 14.750 -7.172 27 HA ASP 4 HA ASP 4 -9.615 13.853 -9.905 28 HB2 ASP 4 2HB ASP 4 -9.056 16.541 -8.653 29 HB3 ASP 4 1HB ASP 4 -9.003 16.276 -10.391 30 H TYR 5 H TYR 5 -7.263 13.568 -7.693 31 HA TYR 5 HA TYR 5 -5.112 13.961 -9.655 32 HB2 TYR 5 2HB TYR 5 -5.126 14.095 -6.656 33 HB3 TYR 5 1HB TYR 5 -3.627 13.809 -7.540 34 HD1 TYR 5 HD2 TYR 5 -2.797 15.513 -9.134 35 HD2 TYR 5 HD1 TYR 5 -6.116 16.271 -6.581 36 HE1 TYR 5 HE2 TYR 5 -2.549 17.923 -9.542 37 HE2 TYR 5 HE1 TYR 5 -5.876 18.687 -6.985 38 HH TYR 5 HH TYR 5 -3.975 19.948 -9.475 39 H TYR 6 H TYR 6 -6.999 11.667 -9.253 40 HA TYR 6 HA TYR 6 -4.949 9.585 -8.966 41 HB2 TYR 6 2HB TYR 6 -7.945 9.468 -8.602 42 HB3 TYR 6 1HB TYR 6 -6.948 8.022 -8.751 43 HD1 TYR 6 HD2 TYR 6 -5.256 7.511 -7.030 44 HD2 TYR 6 HD1 TYR 6 -7.999 10.725 -6.563 45 HE1 TYR 6 HE2 TYR 6 -4.739 7.594 -4.635 46 HE2 TYR 6 HE1 TYR 6 -7.485 10.819 -4.158 47 HH TYR 6 HH TYR 6 -4.833 9.119 -2.791 48 H ILE 7 H ILE 7 -4.154 9.008 -10.838 49 HA ILE 7 HA ILE 7 -5.416 9.655 -13.310 50 HB ILE 7 HB ILE 7 -2.999 7.884 -12.884 51 HG12 ILE 7 2HG1 ILE 7 -1.820 10.094 -13.631 52 HG13 ILE 7 1HG1 ILE 7 -3.287 10.871 -13.050 53 HG21 ILE 7 1HG2 ILE 7 -3.944 9.404 -15.312 54 HG22 ILE 7 2HG2 ILE 7 -3.967 7.653 -15.097 55 HG23 ILE 7 3HG2 ILE 7 -2.429 8.511 -15.188 56 HD11 ILE 7 3HD1 ILE 7 -2.915 9.897 -10.837 57 HD12 ILE 7 1HD1 ILE 7 -1.557 10.897 -11.353 58 HD13 ILE 7 2HD1 ILE 7 -1.435 9.138 -11.424 59 H ASN 8 H ASN 8 -4.537 6.580 -11.782 60 HA ASN 8 HA ASN 8 -5.384 4.479 -11.912 61 HB2 ASN 8 2HB ASN 8 -7.849 5.928 -12.899 62 HB3 ASN 8 1HB ASN 8 -7.803 4.226 -12.448 63 HD21 ASN 8 1HD2 ASN 8 -7.527 3.671 -10.275 64 HD22 ASN 8 2HD2 ASN 8 -7.799 4.807 -9.000 65 H ALA 9 H ALA 9 -3.839 5.423 -14.095 66 HA ALA 9 HA ALA 9 -5.107 4.561 -16.543 67 HB1 ALA 9 3HB ALA 9 -3.495 6.396 -16.587 68 HB2 ALA 9 1HB ALA 9 -2.951 5.051 -17.587 69 HB3 ALA 9 2HB ALA 9 -2.236 5.311 -15.998 70 H SER 10 H SER 10 -4.045 2.920 -17.925 71 HA SER 10 HA SER 10 -3.333 0.820 -18.374 72 HB2 SER 10 2HB SER 10 -1.886 0.990 -15.722 73 HB3 SER 10 1HB SER 10 -1.594 -0.199 -16.991 74 HG SER 10 HG SER 10 -0.140 1.677 -16.937 75 H ALA 11 H ALA 11 -5.628 1.550 -16.447 76 HA ALA 11 HA ALA 11 -7.355 0.502 -15.428 77 HB1 ALA 11 3HB ALA 11 -7.869 -1.777 -16.096 78 HB2 ALA 11 1HB ALA 11 -6.237 -1.972 -16.734 79 HB3 ALA 11 2HB ALA 11 -7.344 -0.826 -17.488 80 H LEU 12 H LEU 12 -4.708 0.672 -14.055 81 HA LEU 12 HA LEU 12 -5.075 -1.568 -12.194 82 HB2 LEU 12 2HB LEU 12 -2.702 -1.157 -11.506 83 HB3 LEU 12 1HB LEU 12 -2.924 -1.785 -13.122 84 HG LEU 12 HG LEU 12 -2.697 0.713 -13.849 85 HD11 LEU 12 1HD1 LEU 12 -1.213 2.010 -12.405 86 HD12 LEU 12 2HD1 LEU 12 -1.314 0.753 -11.169 87 HD13 LEU 12 3HD1 LEU 12 -2.751 1.676 -11.610 88 HD21 LEU 12 3HD2 LEU 12 -0.294 0.410 -14.063 89 HD22 LEU 12 1HD2 LEU 12 -1.145 -1.095 -14.406 90 HD23 LEU 12 2HD2 LEU 12 -0.335 -0.874 -12.855 91 H ASN 13 H ASN 13 -5.322 -1.203 -10.062 92 HA ASN 13 HA ASN 13 -5.482 1.608 -9.202 93 HB2 ASN 13 2HB ASN 13 -7.193 -0.759 -8.435 94 HB3 ASN 13 1HB ASN 13 -7.163 0.728 -7.496 95 HD21 ASN 13 1HD2 ASN 13 -8.096 -0.725 -10.535 96 HD22 ASN 13 2HD2 ASN 13 -9.130 0.561 -11.049 97 H VAL 14 H VAL 14 -5.199 -1.654 -7.743 98 HA VAL 14 HA VAL 14 -2.993 -0.607 -6.099 99 HB VAL 14 HB VAL 14 -4.713 -2.984 -5.364 100 HG11 VAL 14 1HG1 VAL 14 -2.576 -2.871 -4.229 101 HG12 VAL 14 2HG1 VAL 14 -3.878 -2.524 -3.092 102 HG13 VAL 14 3HG1 VAL 14 -2.896 -1.209 -3.737 103 HG21 VAL 14 3HG2 VAL 14 -5.117 -0.134 -4.458 104 HG22 VAL 14 1HG2 VAL 14 -5.993 -1.547 -3.869 105 HG23 VAL 14 2HG2 VAL 14 -6.176 -1.030 -5.545 106 H ARG 15 H ARG 15 -3.345 -1.945 -8.816 107 HA ARG 15 HA ARG 15 -2.425 -4.611 -8.686 108 HB2 ARG 15 2HB ARG 15 -3.623 -3.364 -10.601 109 HB3 ARG 15 1HB ARG 15 -2.031 -2.764 -11.031 110 HG2 ARG 15 2HG ARG 15 -2.700 -5.691 -10.835 111 HG3 ARG 15 1HG ARG 15 -2.838 -4.754 -12.321 112 HD2 ARG 15 2HD ARG 15 -0.388 -4.140 -11.953 113 HD3 ARG 15 1HD ARG 15 -0.364 -5.437 -10.759 114 HE ARG 15 HE ARG 15 -1.419 -6.264 -13.297 115 HH11 ARG 15 1HH1 ARG 15 1.556 -5.701 -11.523 116 HH12 ARG 15 2HH1 ARG 15 2.464 -6.858 -12.445 117 HH21 ARG 15 1HH2 ARG 15 -0.205 -7.776 -14.510 118 HH22 ARG 15 2HH2 ARG 15 1.476 -8.019 -14.145 119 H SER 16 H SER 16 -0.565 -5.172 -7.895 120 HA SER 16 HA SER 16 1.577 -5.243 -7.253 121 HB2 SER 16 2HB SER 16 3.286 -4.598 -8.971 122 HB3 SER 16 1HB SER 16 2.044 -5.707 -9.542 123 HG SER 16 HG SER 16 1.368 -3.096 -9.944 124 H GLY 17 H GLY 17 -0.028 -2.682 -6.744 125 HA2 GLY 17 2HA GLY 17 0.299 -0.581 -5.864 126 HA3 GLY 17 1HA GLY 17 1.808 -1.237 -5.243 127 H GLU 18 H GLU 18 3.610 -0.298 -5.925 128 HA GLU 18 HA GLU 18 3.617 0.839 -8.637 129 HB2 GLU 18 2HB GLU 18 5.331 1.695 -6.295 130 HB3 GLU 18 1HB GLU 18 5.423 2.347 -7.928 131 HG2 GLU 18 2HG GLU 18 2.840 2.792 -7.461 132 HG3 GLU 18 1HG GLU 18 3.421 2.818 -5.796 133 H GLY 19 H GLY 19 5.845 0.711 -9.663 134 HA2 GLY 19 2HA GLY 19 6.419 -2.089 -9.722 135 HA3 GLY 19 1HA GLY 19 7.139 -0.859 -10.742 136 H THR 20 H THR 20 7.215 -1.645 -7.245 137 HA THR 20 HA THR 20 10.125 -1.375 -7.394 138 HB THR 20 HB THR 20 9.204 0.073 -5.738 139 HG1 THR 20 HG1 THR 20 10.774 -0.400 -4.433 140 HG21 THR 20 3HG2 THR 20 7.936 -0.727 -3.808 141 HG22 THR 20 1HG2 THR 20 7.936 -2.356 -4.483 142 HG23 THR 20 2HG2 THR 20 7.087 -1.056 -5.318 143 H ASN 21 H ASN 21 7.803 -3.508 -5.662 144 HA ASN 21 HA ASN 21 9.104 -5.862 -6.699 145 HB2 ASN 21 2HB ASN 21 10.589 -5.182 -4.789 146 HB3 ASN 21 1HB ASN 21 9.214 -5.380 -3.711 147 HD21 ASN 21 1HD2 ASN 21 8.542 -7.430 -3.150 148 HD22 ASN 21 2HD2 ASN 21 9.441 -8.856 -3.531 149 H TYR 22 H TYR 22 6.489 -4.251 -5.641 150 HA TYR 22 HA TYR 22 5.138 -6.352 -4.214 151 HB2 TYR 22 2HB TYR 22 4.384 -3.521 -4.899 152 HB3 TYR 22 1HB TYR 22 3.293 -4.630 -4.062 153 HD1 TYR 22 HD1 TYR 22 4.126 -5.721 -1.926 154 HD2 TYR 22 HD2 TYR 22 6.031 -2.344 -3.682 155 HE1 TYR 22 HE1 TYR 22 5.247 -5.255 0.211 156 HE2 TYR 22 HE2 TYR 22 7.150 -1.863 -1.542 157 HH TYR 22 HH TYR 22 7.299 -4.091 0.989 158 H ARG 23 H ARG 23 5.779 -6.410 -7.170 159 HA ARG 23 HA ARG 23 3.690 -6.186 -8.888 160 HB2 ARG 23 2HB ARG 23 5.650 -8.480 -8.831 161 HB3 ARG 23 1HB ARG 23 4.723 -7.941 -10.225 162 HG2 ARG 23 2HG ARG 23 5.908 -5.834 -10.241 163 HG3 ARG 23 1HG ARG 23 6.788 -6.292 -8.781 164 HD2 ARG 23 2HD ARG 23 7.742 -8.217 -10.010 165 HD3 ARG 23 1HD ARG 23 6.924 -7.655 -11.467 166 HE ARG 23 HE ARG 23 8.439 -5.525 -10.562 167 HH11 ARG 23 1HH1 ARG 23 9.012 -8.790 -11.699 168 HH12 ARG 23 2HH1 ARG 23 10.585 -8.425 -12.347 169 HH21 ARG 23 1HH2 ARG 23 10.501 -5.051 -11.373 170 HH22 ARG 23 2HH2 ARG 23 11.457 -6.297 -12.121 171 H ILE 24 H ILE 24 3.877 -8.506 -6.317 172 HA ILE 24 HA ILE 24 2.100 -10.423 -7.495 173 HB ILE 24 HB ILE 24 2.107 -11.492 -5.275 174 HG12 ILE 24 2HG1 ILE 24 3.936 -9.211 -4.478 175 HG13 ILE 24 1HG1 ILE 24 2.268 -9.388 -3.944 176 HG21 ILE 24 1HG2 ILE 24 4.816 -10.688 -6.323 177 HG22 ILE 24 2HG2 ILE 24 3.830 -12.033 -6.896 178 HG23 ILE 24 3HG2 ILE 24 4.495 -12.060 -5.264 179 HD11 ILE 24 3HD1 ILE 24 2.851 -11.479 -2.828 180 HD12 ILE 24 1HD1 ILE 24 3.817 -10.128 -2.237 181 HD13 ILE 24 2HD1 ILE 24 4.521 -11.291 -3.359 182 H ILE 25 H ILE 25 1.517 -7.411 -6.159 183 HA ILE 25 HA ILE 25 -1.081 -8.107 -5.022 184 HB ILE 25 HB ILE 25 0.173 -5.381 -5.367 185 HG12 ILE 25 2HG1 ILE 25 0.129 -7.160 -2.933 186 HG13 ILE 25 1HG1 ILE 25 1.539 -6.863 -3.945 187 HG21 ILE 25 1HG2 ILE 25 -1.404 -4.641 -3.668 188 HG22 ILE 25 2HG2 ILE 25 -2.126 -6.249 -3.650 189 HG23 ILE 25 3HG2 ILE 25 -2.227 -5.255 -5.102 190 HD11 ILE 25 3HD1 ILE 25 1.489 -4.505 -3.335 191 HD12 ILE 25 1HD1 ILE 25 1.607 -5.540 -1.912 192 HD13 ILE 25 2HD1 ILE 25 0.065 -4.794 -2.332 193 H GLY 26 H GLY 26 -2.989 -6.564 -5.833 194 HA2 GLY 26 2HA GLY 26 -2.899 -6.216 -8.713 195 HA3 GLY 26 1HA GLY 26 -3.929 -7.523 -8.133 196 H ALA 27 H ALA 27 -5.313 -5.773 -9.456 197 HA ALA 27 HA ALA 27 -6.171 -3.637 -7.649 198 HB1 ALA 27 3HB ALA 27 -5.656 -3.016 -9.955 199 HB2 ALA 27 1HB ALA 27 -7.352 -2.718 -9.571 200 HB3 ALA 27 2HB ALA 27 -6.898 -4.125 -10.533 201 H LEU 28 H LEU 28 -7.364 -4.771 -6.138 202 HA LEU 28 HA LEU 28 -10.107 -5.005 -6.782 203 HB2 LEU 28 2HB LEU 28 -9.317 -7.171 -7.692 204 HB3 LEU 28 1HB LEU 28 -8.721 -7.599 -6.098 205 HG LEU 28 HG LEU 28 -11.028 -7.530 -5.228 206 HD11 LEU 28 1HD1 LEU 28 -11.773 -7.007 -8.096 207 HD12 LEU 28 2HD1 LEU 28 -11.971 -5.895 -6.743 208 HD13 LEU 28 3HD1 LEU 28 -12.904 -7.391 -6.799 209 HD21 LEU 28 3HD2 LEU 28 -10.116 -9.639 -6.001 210 HD22 LEU 28 1HD2 LEU 28 -10.643 -9.285 -7.646 211 HD23 LEU 28 2HD2 LEU 28 -11.836 -9.542 -6.373 212 HA PRO 29 HA PRO 29 -9.236 -4.502 -2.261 213 HB2 PRO 29 2HB PRO 29 -9.620 -1.848 -1.993 214 HB3 PRO 29 1HB PRO 29 -8.042 -2.534 -2.389 215 HG2 PRO 29 2HG PRO 29 -10.008 -1.159 -4.143 216 HG3 PRO 29 1HG PRO 29 -8.238 -1.151 -4.212 217 HD2 PRO 29 2HD PRO 29 -9.937 -2.685 -5.818 218 HD3 PRO 29 1HD PRO 29 -8.199 -2.954 -5.596 219 H GLN 30 H GLN 30 -11.499 -2.763 -4.360 220 HA GLN 30 HA GLN 30 -13.684 -2.215 -4.213 221 HB2 GLN 30 2HB GLN 30 -15.189 -4.102 -4.013 222 HB3 GLN 30 1HB GLN 30 -13.771 -4.542 -4.947 223 HG2 GLN 30 2HG GLN 30 -12.848 -5.670 -2.966 224 HG3 GLN 30 1HG GLN 30 -14.317 -5.266 -2.079 225 HE21 GLN 30 1HE2 GLN 30 -16.006 -5.681 -4.449 226 HE22 GLN 30 2HE2 GLN 30 -16.114 -7.397 -4.647 227 H GLY 31 H GLY 31 -12.191 -1.654 -1.736 228 HA2 GLY 31 2HA GLY 31 -12.620 -0.829 0.361 229 HA3 GLY 31 1HA GLY 31 -14.307 -0.752 -0.128 230 H GLN 32 H GLN 32 -12.744 -3.808 -0.256 231 HA GLN 32 HA GLN 32 -14.625 -4.843 1.674 232 HB2 GLN 32 2HB GLN 32 -14.038 -5.963 -0.520 233 HB3 GLN 32 1HB GLN 32 -12.476 -6.351 0.176 234 HG2 GLN 32 2HG GLN 32 -14.897 -7.184 1.667 235 HG3 GLN 32 1HG GLN 32 -14.498 -8.052 0.186 236 HE21 GLN 32 1HE2 GLN 32 -12.593 -9.248 0.092 237 HE22 GLN 32 2HE2 GLN 32 -11.737 -9.728 1.522 238 H LYS 33 H LYS 33 -11.062 -4.981 1.323 239 HA LYS 33 HA LYS 33 -10.868 -4.905 4.231 240 HB2 LYS 33 2HB LYS 33 -10.973 -7.290 3.626 241 HB3 LYS 33 1HB LYS 33 -9.577 -7.076 2.579 242 HG2 LYS 33 2HG LYS 33 -8.144 -6.665 4.416 243 HG3 LYS 33 1HG LYS 33 -9.506 -6.509 5.529 244 HD2 LYS 33 2HD LYS 33 -8.685 -9.026 4.077 245 HD3 LYS 33 1HD LYS 33 -8.401 -8.676 5.784 246 HE2 LYS 33 2HE LYS 33 -11.120 -8.850 4.485 247 HE3 LYS 33 1HE LYS 33 -10.358 -10.146 5.406 248 HZ1 LYS 33 3HZ LYS 33 -11.971 -8.790 6.687 249 HZ2 LYS 33 1HZ LYS 33 -10.938 -7.455 6.524 250 HZ3 LYS 33 2HZ LYS 33 -10.419 -8.827 7.372 251 H VAL 34 H VAL 34 -8.623 -5.600 1.537 252 HA VAL 34 HA VAL 34 -6.519 -4.179 2.764 253 HB VAL 34 HB VAL 34 -5.955 -5.957 1.273 254 HG11 VAL 34 1HG1 VAL 34 -7.249 -4.400 -0.961 255 HG12 VAL 34 2HG1 VAL 34 -7.900 -5.855 -0.207 256 HG13 VAL 34 3HG1 VAL 34 -6.391 -5.934 -1.116 257 HG21 VAL 34 3HG2 VAL 34 -4.338 -4.154 1.391 258 HG22 VAL 34 1HG2 VAL 34 -5.137 -3.323 0.054 259 HG23 VAL 34 2HG2 VAL 34 -4.340 -4.872 -0.221 260 H GLN 35 H GLN 35 -6.841 -2.107 3.198 261 HA GLN 35 HA GLN 35 -6.951 -0.283 0.917 262 HB2 GLN 35 2HB GLN 35 -8.655 0.013 3.404 263 HB3 GLN 35 1HB GLN 35 -8.462 1.249 2.167 264 HG2 GLN 35 2HG GLN 35 -9.431 -0.332 0.517 265 HG3 GLN 35 1HG GLN 35 -9.731 -1.461 1.836 266 HE21 GLN 35 1HE2 GLN 35 -11.269 -0.941 3.401 267 HE22 GLN 35 2HE2 GLN 35 -12.499 0.244 3.116 268 H VAL 36 H VAL 36 -6.636 2.087 2.038 269 HA VAL 36 HA VAL 36 -3.947 1.896 2.987 270 HB VAL 36 HB VAL 36 -3.945 4.359 2.916 271 HG11 VAL 36 1HG1 VAL 36 -4.259 4.576 0.500 272 HG12 VAL 36 2HG1 VAL 36 -5.131 3.043 0.479 273 HG13 VAL 36 3HG1 VAL 36 -3.422 3.081 0.917 274 HG21 VAL 36 3HG2 VAL 36 -5.897 5.566 2.057 275 HG22 VAL 36 1HG2 VAL 36 -6.253 4.778 3.594 276 HG23 VAL 36 2HG2 VAL 36 -6.833 4.074 2.087 277 H ILE 37 H ILE 37 -3.132 2.271 4.951 278 HA ILE 37 HA ILE 37 -4.998 2.736 7.162 279 HB ILE 37 HB ILE 37 -2.073 1.962 7.266 280 HG12 ILE 37 2HG1 ILE 37 -4.108 0.032 8.157 281 HG13 ILE 37 1HG1 ILE 37 -4.147 0.373 6.430 282 HG21 ILE 37 1HG2 ILE 37 -2.513 1.428 9.614 283 HG22 ILE 37 2HG2 ILE 37 -4.165 2.017 9.438 284 HG23 ILE 37 3HG2 ILE 37 -2.810 3.133 9.272 285 HD11 ILE 37 3HD1 ILE 37 -2.758 -1.554 6.910 286 HD12 ILE 37 1HD1 ILE 37 -1.756 -0.581 7.989 287 HD13 ILE 37 2HD1 ILE 37 -1.786 -0.233 6.260 288 H SER 38 H SER 38 -1.801 3.883 6.086 289 HA SER 38 HA SER 38 -2.551 6.616 6.503 290 HB2 SER 38 2HB SER 38 -1.973 5.959 8.808 291 HB3 SER 38 1HB SER 38 -0.379 5.443 8.265 292 HG SER 38 HG SER 38 -1.413 8.081 7.986 293 H GLU 39 H GLU 39 -0.903 8.089 5.780 294 HA GLU 39 HA GLU 39 0.705 6.800 3.680 295 HB2 GLU 39 2HB GLU 39 -0.265 9.658 3.740 296 HB3 GLU 39 1HB GLU 39 0.477 8.819 2.390 297 HG2 GLU 39 2HG GLU 39 -1.704 8.742 1.763 298 HG3 GLU 39 1HG GLU 39 -1.587 7.225 2.651 299 H ASN 40 H ASN 40 2.787 7.604 3.194 300 HA ASN 40 HA ASN 40 3.995 9.766 4.584 301 HB2 ASN 40 2HB ASN 40 4.028 8.154 6.444 302 HB3 ASN 40 1HB ASN 40 4.856 6.984 5.425 303 HD21 ASN 40 1HD2 ASN 40 5.133 9.945 7.205 304 HD22 ASN 40 2HD2 ASN 40 6.866 10.046 7.170 305 H SER 41 H SER 41 5.567 10.521 3.332 306 HA SER 41 HA SER 41 7.303 10.660 1.890 307 HB2 SER 41 2HB SER 41 8.315 8.828 3.186 308 HB3 SER 41 1HB SER 41 7.467 7.648 2.189 309 HG SER 41 HG SER 41 8.618 8.722 0.377 310 H GLY 42 H GLY 42 4.427 9.902 1.099 311 HA2 GLY 42 2HA GLY 42 3.596 10.237 -1.112 312 HA3 GLY 42 1HA GLY 42 5.077 9.528 -1.741 313 H TRP 43 H TRP 43 4.717 7.414 0.456 314 HA TRP 43 HA TRP 43 2.856 5.747 -1.082 315 HB2 TRP 43 2HB TRP 43 5.311 5.102 0.517 316 HB3 TRP 43 1HB TRP 43 4.081 3.869 0.264 317 HD1 TRP 43 HD1 TRP 43 3.916 5.668 -2.830 318 HE1 TRP 43 HE1 TRP 43 5.404 4.616 -4.660 319 HE3 TRP 43 HE3 TRP 43 6.859 2.733 0.134 320 HZ2 TRP 43 HZ2 TRP 43 7.543 2.779 -4.804 321 HZ3 TRP 43 HZ3 TRP 43 8.605 1.360 -0.926 322 HH2 TRP 43 HH2 TRP 43 8.936 1.385 -3.342 323 H SER 44 H SER 44 1.538 4.241 0.100 324 HA SER 44 HA SER 44 0.828 5.214 2.784 325 HB2 SER 44 2HB SER 44 -0.839 5.852 1.022 326 HB3 SER 44 1HB SER 44 -1.110 4.135 0.724 327 HG SER 44 HG SER 44 -1.968 5.730 2.801 328 H LYS 45 H LYS 45 0.139 3.697 4.269 329 HA LYS 45 HA LYS 45 1.418 1.132 3.963 330 HB2 LYS 45 2HB LYS 45 0.726 2.856 6.105 331 HB3 LYS 45 1HB LYS 45 -0.122 1.344 6.371 332 HG2 LYS 45 2HG LYS 45 2.093 1.458 7.466 333 HG3 LYS 45 1HG LYS 45 1.919 0.106 6.343 334 HD2 LYS 45 2HD LYS 45 4.092 1.262 6.130 335 HD3 LYS 45 1HD LYS 45 3.140 1.296 4.645 336 HE2 LYS 45 2HE LYS 45 3.974 3.460 4.849 337 HE3 LYS 45 1HE LYS 45 2.317 3.576 5.431 338 HZ1 LYS 45 3HZ LYS 45 4.805 3.519 7.038 339 HZ2 LYS 45 1HZ LYS 45 3.268 3.291 7.725 340 HZ3 LYS 45 2HZ LYS 45 3.641 4.754 6.957 341 H ILE 46 H ILE 46 0.466 -0.616 3.235 342 HA ILE 46 HA ILE 46 -2.368 -1.064 3.885 343 HB ILE 46 HB ILE 46 -2.767 -2.136 1.724 344 HG12 ILE 46 2HG1 ILE 46 -0.061 -1.079 0.893 345 HG13 ILE 46 1HG1 ILE 46 -0.376 -2.759 1.311 346 HG21 ILE 46 1HG2 ILE 46 -3.385 0.184 1.937 347 HG22 ILE 46 2HG2 ILE 46 -2.776 -0.113 0.307 348 HG23 ILE 46 3HG2 ILE 46 -1.754 0.690 1.500 349 HD11 ILE 46 3HD1 ILE 46 -1.963 -2.915 -0.542 350 HD12 ILE 46 1HD1 ILE 46 -0.352 -2.450 -1.089 351 HD13 ILE 46 2HD1 ILE 46 -1.624 -1.237 -0.964 352 H ASN 47 H ASN 47 -2.962 -3.309 4.018 353 HA ASN 47 HA ASN 47 -0.650 -5.120 4.330 354 HB2 ASN 47 2HB ASN 47 -1.852 -4.721 6.452 355 HB3 ASN 47 1HB ASN 47 -3.351 -5.260 5.700 356 HD21 ASN 47 1HD2 ASN 47 -0.329 -6.212 7.078 357 HD22 ASN 47 2HD2 ASN 47 -0.636 -7.918 7.081 358 H TYR 48 H TYR 48 -0.504 -6.533 2.723 359 HA TYR 48 HA TYR 48 -2.984 -7.290 1.320 360 HB2 TYR 48 2HB TYR 48 -1.315 -5.978 -0.024 361 HB3 TYR 48 1HB TYR 48 -0.177 -7.304 0.182 362 HD1 TYR 48 HD1 TYR 48 -3.487 -6.429 -1.236 363 HD2 TYR 48 HD2 TYR 48 -0.243 -9.171 -1.267 364 HE1 TYR 48 HE1 TYR 48 -4.449 -7.532 -3.206 365 HE2 TYR 48 HE2 TYR 48 -1.196 -10.284 -3.240 366 HH TYR 48 HH TYR 48 -3.321 -10.548 -4.367 367 H ASN 49 H ASN 49 -3.596 -9.182 2.135 368 HA ASN 49 HA ASN 49 -3.644 -11.395 2.613 369 HB2 ASN 49 2HB ASN 49 -1.353 -11.305 0.666 370 HB3 ASN 49 1HB ASN 49 -1.852 -12.818 1.416 371 HD21 ASN 49 1HD2 ASN 49 -2.474 -13.679 -0.570 372 HD22 ASN 49 2HD2 ASN 49 -3.916 -13.169 -1.375 373 H GLY 50 H GLY 50 -2.285 -9.644 4.425 374 HA2 GLY 50 2HA GLY 50 -1.433 -10.163 6.541 375 HA3 GLY 50 1HA GLY 50 -0.889 -11.713 5.918 376 H GLN 51 H GLN 51 0.141 -9.558 3.698 377 HA GLN 51 HA GLN 51 2.764 -9.336 5.001 378 HB2 GLN 51 2HB GLN 51 2.377 -10.569 2.752 379 HB3 GLN 51 1HB GLN 51 2.290 -8.961 2.061 380 HG2 GLN 51 2HG GLN 51 4.502 -9.767 1.788 381 HG3 GLN 51 1HG GLN 51 4.538 -8.508 3.020 382 HE21 GLN 51 1HE2 GLN 51 3.377 -11.765 3.539 383 HE22 GLN 51 2HE2 GLN 51 4.631 -12.243 4.622 384 H THR 52 H THR 52 3.988 -7.424 4.665 385 HA THR 52 HA THR 52 2.439 -5.009 4.862 386 HB THR 52 HB THR 52 5.445 -5.268 4.616 387 HG1 THR 52 HG1 THR 52 4.906 -6.481 6.382 388 HG21 THR 52 3HG2 THR 52 5.489 -3.138 5.795 389 HG22 THR 52 1HG2 THR 52 3.729 -3.128 5.879 390 HG23 THR 52 2HG2 THR 52 4.537 -2.997 4.317 391 H GLY 53 H GLY 53 1.917 -3.656 3.238 392 HA2 GLY 53 2HA GLY 53 3.476 -3.859 0.745 393 HA3 GLY 53 1HA GLY 53 1.718 -3.834 0.717 394 H TYR 54 H TYR 54 3.478 -2.000 -0.585 395 HA TYR 54 HA TYR 54 2.526 0.463 0.710 396 HB2 TYR 54 2HB TYR 54 5.128 0.086 -0.777 397 HB3 TYR 54 1HB TYR 54 4.489 1.639 -0.268 398 HD1 TYR 54 HD1 TYR 54 3.968 1.820 2.307 399 HD2 TYR 54 HD2 TYR 54 6.661 -0.980 0.590 400 HE1 TYR 54 HE1 TYR 54 5.110 1.611 4.470 401 HE2 TYR 54 HE2 TYR 54 7.816 -1.204 2.750 402 HH TYR 54 HH TYR 54 6.528 0.069 5.664 403 H ILE 55 H ILE 55 1.503 1.875 -0.599 404 HA ILE 55 HA ILE 55 1.750 1.546 -3.499 405 HB ILE 55 HB ILE 55 -0.697 2.141 -3.727 406 HG12 ILE 55 2HG1 ILE 55 -2.037 1.199 -1.672 407 HG13 ILE 55 1HG1 ILE 55 -0.590 1.641 -0.774 408 HG21 ILE 55 1HG2 ILE 55 -0.021 -0.521 -2.501 409 HG22 ILE 55 2HG2 ILE 55 0.122 -0.082 -4.203 410 HG23 ILE 55 3HG2 ILE 55 -1.468 -0.163 -3.443 411 HD11 ILE 55 3HD1 ILE 55 -2.283 3.385 -0.688 412 HD12 ILE 55 1HD1 ILE 55 -2.256 3.505 -2.449 413 HD13 ILE 55 2HD1 ILE 55 -0.827 3.942 -1.513 414 H GLY 56 H GLY 56 1.389 3.498 -4.696 415 HA2 GLY 56 2HA GLY 56 2.264 5.822 -3.246 416 HA3 GLY 56 1HA GLY 56 1.912 5.738 -4.969 417 H THR 57 H THR 57 1.122 7.627 -2.681 418 HA THR 57 HA THR 57 -1.686 7.406 -2.327 419 HB THR 57 HB THR 57 -0.144 10.005 -2.281 420 HG1 THR 57 HG1 THR 57 0.153 7.757 -0.716 421 HG21 THR 57 3HG2 THR 57 -1.721 10.540 -0.457 422 HG22 THR 57 1HG2 THR 57 -2.509 8.982 -0.701 423 HG23 THR 57 2HG2 THR 57 -2.555 10.201 -1.975 424 H ARG 58 H ARG 58 0.150 8.191 -5.023 425 HA ARG 58 HA ARG 58 -1.733 9.919 -6.321 426 HB2 ARG 58 2HB ARG 58 -0.217 9.434 -8.311 427 HB3 ARG 58 1HB ARG 58 0.517 10.254 -6.944 428 HG2 ARG 58 2HG ARG 58 1.399 8.063 -6.180 429 HG3 ARG 58 1HG ARG 58 0.764 7.338 -7.658 430 HD2 ARG 58 2HD ARG 58 2.216 8.628 -9.018 431 HD3 ARG 58 1HD ARG 58 2.673 9.662 -7.665 432 HE ARG 58 HE ARG 58 3.342 6.796 -7.572 433 HH11 ARG 58 1HH1 ARG 58 4.385 10.134 -7.915 434 HH12 ARG 58 2HH1 ARG 58 6.039 9.785 -7.486 435 HH21 ARG 58 1HH2 ARG 58 5.511 6.334 -7.028 436 HH22 ARG 58 2HH2 ARG 58 6.680 7.625 -7.020 437 H TYR 59 H TYR 59 -1.568 6.576 -5.760 438 HA TYR 59 HA TYR 59 -3.543 6.134 -7.872 439 HB2 TYR 59 2HB TYR 59 -0.956 4.790 -7.506 440 HB3 TYR 59 1HB TYR 59 -2.324 3.717 -7.761 441 HD1 TYR 59 HD2 TYR 59 -0.338 6.443 -9.229 442 HD2 TYR 59 HD1 TYR 59 -3.425 3.593 -9.879 443 HE1 TYR 59 HE2 TYR 59 -0.236 6.895 -11.645 444 HE2 TYR 59 HE1 TYR 59 -3.331 4.031 -12.294 445 HH TYR 59 HH TYR 59 -0.803 5.697 -13.759 446 H LEU 60 H LEU 60 -5.331 5.534 -7.012 447 HA LEU 60 HA LEU 60 -5.500 3.297 -5.217 448 HB2 LEU 60 2HB LEU 60 -6.177 6.086 -4.334 449 HB3 LEU 60 1HB LEU 60 -7.143 4.744 -3.749 450 HG LEU 60 HG LEU 60 -4.159 5.009 -3.382 451 HD11 LEU 60 1HD1 LEU 60 -4.680 5.507 -1.054 452 HD12 LEU 60 2HD1 LEU 60 -6.404 5.468 -1.419 453 HD13 LEU 60 3HD1 LEU 60 -5.380 6.717 -2.128 454 HD21 LEU 60 3HD2 LEU 60 -6.155 3.059 -2.241 455 HD22 LEU 60 1HD2 LEU 60 -4.453 3.167 -1.789 456 HD23 LEU 60 2HD2 LEU 60 -4.902 2.697 -3.428 457 H SER 61 H SER 61 -7.975 2.921 -4.761 458 HA SER 61 HA SER 61 -9.275 3.084 -7.330 459 HB2 SER 61 2HB SER 61 -10.309 1.915 -4.731 460 HB3 SER 61 1HB SER 61 -10.945 1.618 -6.351 461 HG SER 61 HG SER 61 -9.485 0.133 -6.599 462 H LYS 62 H LYS 62 -10.566 4.673 -7.895 463 HA LYS 62 HA LYS 62 -11.338 6.633 -5.865 464 HB2 LYS 62 2HB LYS 62 -9.991 7.256 -7.937 465 HB3 LYS 62 1HB LYS 62 -11.443 6.944 -8.870 466 HG2 LYS 62 2HG LYS 62 -11.385 8.937 -6.623 467 HG3 LYS 62 1HG LYS 62 -10.931 9.355 -8.276 468 HD2 LYS 62 2HD LYS 62 -13.128 8.692 -9.074 469 HD3 LYS 62 1HD LYS 62 -13.587 8.188 -7.447 470 HE2 LYS 62 2HE LYS 62 -13.195 10.546 -6.703 471 HE3 LYS 62 1HE LYS 62 -12.974 10.981 -8.397 472 HZ1 LYS 62 3HZ LYS 62 -15.428 9.764 -7.248 473 HZ2 LYS 62 1HZ LYS 62 -15.219 10.243 -8.862 474 HZ3 LYS 62 2HZ LYS 62 -15.237 11.407 -7.626 475 H LEU 63 H LEU 63 -12.728 4.942 -8.669 476 HA LEU 63 HA LEU 63 -15.379 5.906 -8.089 477 HB2 LEU 63 2HB LEU 63 -14.372 5.413 -10.385 478 HB3 LEU 63 1HB LEU 63 -14.607 3.718 -10.020 479 HG LEU 63 HG LEU 63 -16.352 4.896 -11.484 480 HD11 LEU 63 1HD1 LEU 63 -18.197 3.615 -10.530 481 HD12 LEU 63 2HD1 LEU 63 -17.269 3.376 -9.049 482 HD13 LEU 63 3HD1 LEU 63 -16.705 2.675 -10.568 483 HD21 LEU 63 3HD2 LEU 63 -16.603 6.908 -10.144 484 HD22 LEU 63 1HD2 LEU 63 -17.204 5.950 -8.791 485 HD23 LEU 63 2HD2 LEU 63 -18.140 6.052 -10.283 486 H GLU 64 H GLU 64 -13.457 3.253 -7.166 487 HA GLU 64 HA GLU 64 -15.579 1.345 -6.829 488 HB2 GLU 64 2HB GLU 64 -13.081 0.968 -7.425 489 HB3 GLU 64 1HB GLU 64 -12.816 1.084 -5.693 490 HG2 GLU 64 2HG GLU 64 -13.999 -0.861 -5.255 491 HG3 GLU 64 1HG GLU 64 -14.830 -0.818 -6.811 492 H HIS 65 H HIS 65 -16.448 3.378 -5.423 493 HA HIS 65 HA HIS 65 -16.516 2.335 -2.711 494 HB2 HIS 65 2HB HIS 65 -15.655 5.161 -3.360 495 HB3 HIS 65 1HB HIS 65 -16.399 4.753 -1.821 496 HD1 HIS 65 HD1 HIS 65 -13.286 5.589 -2.812 497 HD2 HIS 65 HD2 HIS 65 -14.704 2.140 -0.968 498 HE1 HIS 65 HE1 HIS 65 -11.291 4.562 -1.668 499 HE2 HIS 65 HE2 HIS 65 -12.216 2.583 -0.401 500 H HIS 66 H HIS 66 -18.157 4.123 -1.512 501 HA HIS 66 HA HIS 66 -20.216 5.089 -1.417 502 HB2 HIS 66 2HB HIS 66 -19.349 6.419 -3.354 503 HB3 HIS 66 1HB HIS 66 -20.048 5.230 -4.441 504 HD1 HIS 66 HD1 HIS 66 -20.931 8.101 -2.223 505 HD2 HIS 66 HD2 HIS 66 -22.831 5.419 -4.776 506 HE1 HIS 66 HE1 HIS 66 -23.237 9.033 -2.596 507 HE2 HIS 66 HE2 HIS 66 -24.315 7.475 -4.263 508 H HIS 67 H HIS 67 -22.516 4.626 -1.809 509 HA HIS 67 HA HIS 67 -24.358 3.462 -2.452 510 HB2 HIS 67 2HB HIS 67 -23.233 3.311 -4.694 511 HB3 HIS 67 1HB HIS 67 -22.558 1.768 -4.191 512 HD1 HIS 67 HD1 HIS 67 -23.907 -0.228 -4.775 513 HD2 HIS 67 HD2 HIS 67 -26.208 3.236 -4.673 514 HE1 HIS 67 HE1 HIS 67 -26.193 -0.907 -5.569 515 HE2 HIS 67 HE2 HIS 67 -27.499 1.241 -5.695 516 H HIS 68 H HIS 68 -22.039 2.448 -0.525 517 HA HIS 68 HA HIS 68 -23.248 -0.201 -0.076 518 HB2 HIS 68 2HB HIS 68 -20.477 0.825 0.531 519 HB3 HIS 68 1HB HIS 68 -21.115 -0.653 1.244 520 HD1 HIS 68 HD1 HIS 68 -20.202 0.813 -2.122 521 HD2 HIS 68 HD2 HIS 68 -21.017 -2.869 -0.373 522 HE1 HIS 68 HE1 HIS 68 -19.629 -0.900 -3.864 523 HE2 HIS 68 HE2 HIS 68 -19.887 -3.113 -2.692 524 H HIS 69 H HIS 69 -23.918 -0.762 1.977 525 HA HIS 69 HA HIS 69 -24.176 1.514 3.840 526 HB2 HIS 69 2HB HIS 69 -26.402 0.725 4.430 527 HB3 HIS 69 1HB HIS 69 -26.311 0.972 2.691 528 HD1 HIS 69 HD1 HIS 69 -26.778 -1.017 1.206 529 HD2 HIS 69 HD2 HIS 69 -26.486 -2.036 5.226 530 HE1 HIS 69 HE1 HIS 69 -27.524 -3.412 1.351 531 HE2 HIS 69 HE2 HIS 69 -27.215 -4.050 3.772 532 H HIS 70 H HIS 70 -24.172 1.067 6.055 533 HA HIS 70 HA HIS 70 -23.375 -1.679 6.791 534 HB2 HIS 70 2HB HIS 70 -22.631 0.943 8.109 535 HB3 HIS 70 1HB HIS 70 -22.327 -0.633 8.828 536 HD1 HIS 70 HD1 HIS 70 -19.984 1.227 8.241 537 HD2 HIS 70 HD2 HIS 70 -21.376 -1.658 5.585 538 HE1 HIS 70 HE1 HIS 70 -18.052 0.720 6.706 539 HE2 HIS 70 HE2 HIS 70 -18.879 -1.119 5.190 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.134 0.457 -14.502 2 H2 MET 1 2H MET 1 14.999 -0.074 -12.893 3 H3 MET 1 3H MET 1 14.059 1.220 -13.443 4 HA MET 1 HA MET 1 12.846 -0.196 -14.926 5 HB2 MET 1 2HB MET 1 14.391 -2.485 -13.685 6 HB3 MET 1 1HB MET 1 13.181 -2.588 -14.951 7 HG2 MET 1 2HG MET 1 15.175 -2.860 -16.082 8 HG3 MET 1 1HG MET 1 14.800 -1.156 -16.334 9 HE1 MET 1 3HE MET 1 16.893 -3.707 -14.184 10 HE2 MET 1 1HE MET 1 16.086 -2.708 -12.976 11 HE3 MET 1 2HE MET 1 17.834 -2.609 -13.172 12 H ILE 2 H ILE 2 11.099 -1.668 -14.146 13 HA ILE 2 HA ILE 2 9.508 -2.299 -12.670 14 HB ILE 2 HB ILE 2 11.700 -2.266 -10.589 15 HG12 ILE 2 2HG1 ILE 2 10.764 -4.543 -12.362 16 HG13 ILE 2 1HG1 ILE 2 12.271 -3.654 -12.571 17 HG21 ILE 2 1HG2 ILE 2 9.486 -2.366 -9.621 18 HG22 ILE 2 2HG2 ILE 2 10.277 -3.935 -9.461 19 HG23 ILE 2 3HG2 ILE 2 9.044 -3.689 -10.698 20 HD11 ILE 2 3HD1 ILE 2 11.534 -5.320 -10.179 21 HD12 ILE 2 1HD1 ILE 2 13.047 -4.442 -10.408 22 HD13 ILE 2 2HD1 ILE 2 12.637 -5.787 -11.474 23 H GLY 3 H GLY 3 8.111 -0.649 -12.542 24 HA2 GLY 3 2HA GLY 3 7.529 0.744 -10.310 25 HA3 GLY 3 1HA GLY 3 8.750 1.759 -11.063 26 H ASP 4 H ASP 4 7.507 0.492 -13.669 27 HA ASP 4 HA ASP 4 5.115 2.186 -13.759 28 HB2 ASP 4 2HB ASP 4 5.685 2.874 -16.059 29 HB3 ASP 4 1HB ASP 4 6.890 3.413 -14.898 30 H TYR 5 H TYR 5 3.378 1.163 -14.409 31 HA TYR 5 HA TYR 5 3.651 -1.327 -15.971 32 HB2 TYR 5 2HB TYR 5 1.883 -0.895 -13.543 33 HB3 TYR 5 1HB TYR 5 1.846 -2.318 -14.572 34 HD1 TYR 5 HD2 TYR 5 3.915 -0.430 -12.157 35 HD2 TYR 5 HD1 TYR 5 3.394 -4.087 -14.263 36 HE1 TYR 5 HE2 TYR 5 5.624 -1.479 -10.743 37 HE2 TYR 5 HE1 TYR 5 5.106 -5.149 -12.848 38 HH TYR 5 HH TYR 5 7.024 -4.479 -11.462 39 H TYR 6 H TYR 6 3.070 1.242 -16.932 40 HA TYR 6 HA TYR 6 1.642 2.387 -18.268 41 HB2 TYR 6 2HB TYR 6 0.803 0.251 -19.152 42 HB3 TYR 6 1HB TYR 6 -0.303 0.114 -17.792 43 HD1 TYR 6 HD2 TYR 6 0.536 2.449 -20.584 44 HD2 TYR 6 HD1 TYR 6 -2.478 0.830 -18.065 45 HE1 TYR 6 HE2 TYR 6 -1.172 3.663 -21.865 46 HE2 TYR 6 HE1 TYR 6 -4.203 2.035 -19.338 47 HH TYR 6 HH TYR 6 -3.650 3.415 -22.343 48 H ILE 7 H ILE 7 0.165 4.028 -17.936 49 HA ILE 7 HA ILE 7 -0.481 4.437 -15.148 50 HB ILE 7 HB ILE 7 0.547 6.284 -16.307 51 HG12 ILE 7 2HG1 ILE 7 -2.362 6.916 -15.770 52 HG13 ILE 7 1HG1 ILE 7 -1.128 6.741 -14.526 53 HG21 ILE 7 1HG2 ILE 7 -0.207 5.787 -18.573 54 HG22 ILE 7 2HG2 ILE 7 -0.546 7.462 -18.141 55 HG23 ILE 7 3HG2 ILE 7 -1.847 6.271 -18.142 56 HD11 ILE 7 3HD1 ILE 7 -1.168 8.817 -16.702 57 HD12 ILE 7 1HD1 ILE 7 0.082 8.638 -15.470 58 HD13 ILE 7 2HD1 ILE 7 -1.563 9.070 -15.002 59 H ASN 8 H ASN 8 -2.341 4.057 -14.271 60 HA ASN 8 HA ASN 8 -4.543 3.684 -13.903 61 HB2 ASN 8 2HB ASN 8 -4.859 5.785 -15.264 62 HB3 ASN 8 1HB ASN 8 -5.071 4.766 -16.681 63 HD21 ASN 8 1HD2 ASN 8 -7.155 5.614 -16.950 64 HD22 ASN 8 2HD2 ASN 8 -8.474 5.089 -15.957 65 H ALA 9 H ALA 9 -6.506 2.449 -15.018 66 HA ALA 9 HA ALA 9 -7.262 0.417 -15.666 67 HB1 ALA 9 3HB ALA 9 -6.471 -0.507 -17.763 68 HB2 ALA 9 1HB ALA 9 -5.048 0.531 -17.714 69 HB3 ALA 9 2HB ALA 9 -6.651 1.242 -17.904 70 H SER 10 H SER 10 -6.555 -0.326 -13.591 71 HA SER 10 HA SER 10 -5.553 -1.762 -12.159 72 HB2 SER 10 2HB SER 10 -4.563 -3.094 -14.690 73 HB3 SER 10 1HB SER 10 -4.523 -3.804 -13.075 74 HG SER 10 HG SER 10 -6.976 -3.053 -13.358 75 H ALA 11 H ALA 11 -4.322 0.564 -12.394 76 HA ALA 11 HA ALA 11 -1.505 0.334 -12.906 77 HB1 ALA 11 3HB ALA 11 -2.720 2.452 -13.212 78 HB2 ALA 11 1HB ALA 11 -1.377 2.615 -12.081 79 HB3 ALA 11 2HB ALA 11 -3.030 2.512 -11.476 80 H LEU 12 H LEU 12 -0.711 1.922 -10.565 81 HA LEU 12 HA LEU 12 -0.102 -0.238 -8.787 82 HB2 LEU 12 2HB LEU 12 1.130 1.449 -7.491 83 HB3 LEU 12 1HB LEU 12 1.565 1.447 -9.186 84 HG LEU 12 HG LEU 12 -0.417 3.436 -8.105 85 HD11 LEU 12 1HD1 LEU 12 1.596 3.615 -6.737 86 HD12 LEU 12 2HD1 LEU 12 1.439 5.001 -7.818 87 HD13 LEU 12 3HD1 LEU 12 2.585 3.714 -8.194 88 HD21 LEU 12 3HD2 LEU 12 0.367 4.763 -10.008 89 HD22 LEU 12 1HD2 LEU 12 -0.258 3.200 -10.536 90 HD23 LEU 12 2HD2 LEU 12 1.483 3.471 -10.452 91 H ASN 13 H ASN 13 -2.850 0.061 -8.903 92 HA ASN 13 HA ASN 13 -3.940 1.727 -6.892 93 HB2 ASN 13 2HB ASN 13 -5.106 -0.723 -8.216 94 HB3 ASN 13 1HB ASN 13 -6.015 0.407 -7.220 95 HD21 ASN 13 1HD2 ASN 13 -7.411 0.901 -8.915 96 HD22 ASN 13 2HD2 ASN 13 -6.919 1.864 -10.267 97 H VAL 14 H VAL 14 -3.433 -1.796 -6.940 98 HA VAL 14 HA VAL 14 -3.560 -1.796 -3.994 99 HB VAL 14 HB VAL 14 -4.636 -4.067 -5.668 100 HG11 VAL 14 1HG1 VAL 14 -4.113 -4.536 -3.325 101 HG12 VAL 14 2HG1 VAL 14 -5.844 -4.656 -3.640 102 HG13 VAL 14 3HG1 VAL 14 -5.192 -3.235 -2.822 103 HG21 VAL 14 3HG2 VAL 14 -5.928 -2.101 -6.300 104 HG22 VAL 14 1HG2 VAL 14 -6.238 -1.741 -4.602 105 HG23 VAL 14 2HG2 VAL 14 -6.904 -3.204 -5.329 106 H ARG 15 H ARG 15 -1.379 -1.781 -6.007 107 HA ARG 15 HA ARG 15 -0.407 -4.294 -6.663 108 HB2 ARG 15 2HB ARG 15 1.007 -1.668 -6.286 109 HB3 ARG 15 1HB ARG 15 1.805 -3.104 -6.914 110 HG2 ARG 15 2HG ARG 15 -0.576 -1.726 -8.142 111 HG3 ARG 15 1HG ARG 15 1.092 -1.634 -8.710 112 HD2 ARG 15 2HD ARG 15 1.087 -4.041 -9.117 113 HD3 ARG 15 1HD ARG 15 -0.574 -4.136 -8.543 114 HE ARG 15 HE ARG 15 -0.924 -2.440 -10.510 115 HH11 ARG 15 1HH1 ARG 15 1.173 -5.246 -10.437 116 HH12 ARG 15 2HH1 ARG 15 0.982 -5.604 -12.127 117 HH21 ARG 15 1HH2 ARG 15 -1.169 -2.888 -12.745 118 HH22 ARG 15 2HH2 ARG 15 -0.341 -4.250 -13.447 119 H SER 16 H SER 16 0.237 -2.374 -3.763 120 HA SER 16 HA SER 16 1.042 -2.942 -1.717 121 HB2 SER 16 2HB SER 16 0.704 -5.793 -2.663 122 HB3 SER 16 1HB SER 16 0.882 -5.265 -0.990 123 HG SER 16 HG SER 16 -1.277 -4.775 -2.763 124 H GLY 17 H GLY 17 2.852 -2.548 -3.982 125 HA2 GLY 17 2HA GLY 17 5.001 -4.410 -3.823 126 HA3 GLY 17 1HA GLY 17 5.066 -2.807 -4.546 127 H GLU 18 H GLU 18 6.722 -4.489 -2.498 128 HA GLU 18 HA GLU 18 6.695 -2.970 -0.097 129 HB2 GLU 18 2HB GLU 18 8.874 -4.732 -1.229 130 HB3 GLU 18 1HB GLU 18 8.789 -4.142 0.428 131 HG2 GLU 18 2HG GLU 18 6.629 -5.344 0.677 132 HG3 GLU 18 1HG GLU 18 6.883 -6.033 -0.927 133 H GLY 19 H GLY 19 8.435 -2.762 -3.111 134 HA2 GLY 19 2HA GLY 19 9.339 -0.080 -2.281 135 HA3 GLY 19 1HA GLY 19 10.389 -1.153 -3.203 136 H THR 20 H THR 20 10.349 -0.959 -5.340 137 HA THR 20 HA THR 20 8.071 0.422 -6.571 138 HB THR 20 HB THR 20 9.543 0.492 -8.610 139 HG1 THR 20 HG1 THR 20 11.369 -0.561 -8.582 140 HG21 THR 20 3HG2 THR 20 10.692 1.733 -6.107 141 HG22 THR 20 1HG2 THR 20 9.396 2.409 -7.093 142 HG23 THR 20 2HG2 THR 20 11.022 2.253 -7.760 143 H ASN 21 H ASN 21 9.071 -2.603 -5.819 144 HA ASN 21 HA ASN 21 8.376 -3.972 -8.243 145 HB2 ASN 21 2HB ASN 21 8.647 -6.037 -6.886 146 HB3 ASN 21 1HB ASN 21 10.050 -4.981 -6.831 147 HD21 ASN 21 1HD2 ASN 21 9.195 -7.076 -5.011 148 HD22 ASN 21 2HD2 ASN 21 9.068 -6.333 -3.450 149 H TYR 22 H TYR 22 6.304 -3.341 -8.722 150 HA TYR 22 HA TYR 22 4.243 -3.694 -6.690 151 HB2 TYR 22 2HB TYR 22 4.175 -2.396 -9.414 152 HB3 TYR 22 1HB TYR 22 2.784 -2.516 -8.342 153 HD1 TYR 22 HD2 TYR 22 3.618 -1.778 -5.763 154 HD2 TYR 22 HD1 TYR 22 5.037 -0.260 -9.481 155 HE1 TYR 22 HE2 TYR 22 4.289 0.308 -4.649 156 HE2 TYR 22 HE1 TYR 22 5.717 1.829 -8.371 157 HH TYR 22 HH TYR 22 5.909 2.150 -5.015 158 H ARG 23 H ARG 23 5.652 -5.695 -8.776 159 HA ARG 23 HA ARG 23 3.220 -6.968 -9.759 160 HB2 ARG 23 2HB ARG 23 5.268 -6.830 -11.189 161 HB3 ARG 23 1HB ARG 23 6.092 -7.881 -10.046 162 HG2 ARG 23 2HG ARG 23 4.475 -9.653 -10.508 163 HG3 ARG 23 1HG ARG 23 3.650 -8.595 -11.654 164 HD2 ARG 23 2HD ARG 23 5.630 -8.505 -13.042 165 HD3 ARG 23 1HD ARG 23 6.524 -9.475 -11.869 166 HE ARG 23 HE ARG 23 4.587 -11.158 -12.400 167 HH11 ARG 23 1HH1 ARG 23 6.300 -9.086 -14.643 168 HH12 ARG 23 2HH1 ARG 23 6.112 -10.167 -15.990 169 HH21 ARG 23 1HH2 ARG 23 4.308 -12.573 -14.170 170 HH22 ARG 23 2HH2 ARG 23 4.980 -12.147 -15.722 171 H ILE 24 H ILE 24 4.824 -6.823 -6.946 172 HA ILE 24 HA ILE 24 5.099 -9.379 -5.951 173 HB ILE 24 HB ILE 24 5.685 -7.169 -4.851 174 HG12 ILE 24 2HG1 ILE 24 5.886 -9.341 -3.651 175 HG13 ILE 24 1HG1 ILE 24 5.583 -7.967 -2.598 176 HG21 ILE 24 1HG2 ILE 24 2.804 -7.246 -4.029 177 HG22 ILE 24 2HG2 ILE 24 3.605 -6.029 -5.024 178 HG23 ILE 24 3HG2 ILE 24 4.031 -6.198 -3.321 179 HD11 ILE 24 3HD1 ILE 24 4.353 -9.929 -1.891 180 HD12 ILE 24 1HD1 ILE 24 3.543 -10.003 -3.455 181 HD13 ILE 24 2HD1 ILE 24 3.258 -8.635 -2.379 182 H ILE 25 H ILE 25 2.123 -7.408 -6.147 183 HA ILE 25 HA ILE 25 0.614 -9.917 -5.952 184 HB ILE 25 HB ILE 25 -0.269 -7.333 -4.649 185 HG12 ILE 25 2HG1 ILE 25 0.559 -9.943 -3.372 186 HG13 ILE 25 1HG1 ILE 25 1.591 -8.523 -3.474 187 HG21 ILE 25 1HG2 ILE 25 -2.133 -8.615 -5.530 188 HG22 ILE 25 2HG2 ILE 25 -2.112 -8.681 -3.767 189 HG23 ILE 25 3HG2 ILE 25 -1.546 -10.060 -4.708 190 HD11 ILE 25 3HD1 ILE 25 -1.020 -8.722 -2.000 191 HD12 ILE 25 1HD1 ILE 25 -0.023 -7.273 -2.125 192 HD13 ILE 25 2HD1 ILE 25 0.592 -8.700 -1.288 193 H GLY 26 H GLY 26 -0.520 -6.551 -6.363 194 HA2 GLY 26 2HA GLY 26 -0.621 -5.977 -8.901 195 HA3 GLY 26 1HA GLY 26 -1.661 -7.391 -8.936 196 H ALA 27 H ALA 27 -2.708 -5.108 -9.853 197 HA ALA 27 HA ALA 27 -4.175 -3.826 -7.664 198 HB1 ALA 27 3HB ALA 27 -4.142 -3.228 -10.619 199 HB2 ALA 27 1HB ALA 27 -3.232 -2.372 -9.374 200 HB3 ALA 27 2HB ALA 27 -4.994 -2.297 -9.387 201 H LEU 28 H LEU 28 -5.609 -5.435 -7.038 202 HA LEU 28 HA LEU 28 -7.695 -6.036 -9.025 203 HB2 LEU 28 2HB LEU 28 -6.281 -8.002 -8.243 204 HB3 LEU 28 1HB LEU 28 -7.004 -7.778 -6.662 205 HG LEU 28 HG LEU 28 -9.223 -8.231 -7.592 206 HD11 LEU 28 1HD1 LEU 28 -7.766 -8.743 -10.185 207 HD12 LEU 28 2HD1 LEU 28 -8.816 -7.367 -9.852 208 HD13 LEU 28 3HD1 LEU 28 -9.486 -8.997 -9.882 209 HD21 LEU 28 3HD2 LEU 28 -8.907 -10.603 -8.036 210 HD22 LEU 28 1HD2 LEU 28 -7.874 -10.070 -6.711 211 HD23 LEU 28 2HD2 LEU 28 -7.185 -10.337 -8.313 212 HA PRO 29 HA PRO 29 -9.469 -3.534 -5.674 213 HB2 PRO 29 2HB PRO 29 -10.894 -1.988 -7.592 214 HB3 PRO 29 1HB PRO 29 -9.433 -1.537 -6.714 215 HG2 PRO 29 2HG PRO 29 -9.585 -1.968 -9.450 216 HG3 PRO 29 1HG PRO 29 -8.094 -1.995 -8.492 217 HD2 PRO 29 2HD PRO 29 -9.769 -4.276 -9.458 218 HD3 PRO 29 1HD PRO 29 -8.000 -4.145 -9.335 219 H GLN 30 H GLN 30 -10.794 -5.296 -4.987 220 HA GLN 30 HA GLN 30 -13.436 -5.523 -6.151 221 HB2 GLN 30 2HB GLN 30 -12.052 -6.795 -3.816 222 HB3 GLN 30 1HB GLN 30 -13.802 -6.858 -3.925 223 HG2 GLN 30 2HG GLN 30 -12.890 -8.881 -4.811 224 HG3 GLN 30 1HG GLN 30 -13.593 -7.946 -6.129 225 HE21 GLN 30 1HE2 GLN 30 -12.300 -7.186 -7.743 226 HE22 GLN 30 2HE2 GLN 30 -10.631 -7.615 -7.895 227 H GLY 31 H GLY 31 -15.379 -5.118 -4.853 228 HA2 GLY 31 2HA GLY 31 -15.457 -2.478 -3.881 229 HA3 GLY 31 1HA GLY 31 -16.735 -3.669 -3.695 230 H GLN 32 H GLN 32 -15.112 -5.544 -2.214 231 HA GLN 32 HA GLN 32 -15.486 -4.590 0.415 232 HB2 GLN 32 2HB GLN 32 -13.659 -6.863 -0.386 233 HB3 GLN 32 1HB GLN 32 -14.441 -6.623 1.168 234 HG2 GLN 32 2HG GLN 32 -15.734 -8.269 0.230 235 HG3 GLN 32 1HG GLN 32 -16.639 -6.816 -0.194 236 HE21 GLN 32 1HE2 GLN 32 -14.612 -9.380 -1.363 237 HE22 GLN 32 2HE2 GLN 32 -14.929 -9.131 -3.055 238 H LYS 33 H LYS 33 -12.373 -5.755 -0.777 239 HA LYS 33 HA LYS 33 -10.306 -4.854 -0.894 240 HB2 LYS 33 2HB LYS 33 -11.529 -2.857 -1.812 241 HB3 LYS 33 1HB LYS 33 -11.534 -2.192 -0.185 242 HG2 LYS 33 2HG LYS 33 -9.144 -2.071 -0.165 243 HG3 LYS 33 1HG LYS 33 -9.044 -2.930 -1.702 244 HD2 LYS 33 2HD LYS 33 -10.376 -0.249 -1.325 245 HD3 LYS 33 1HD LYS 33 -8.722 -0.467 -1.894 246 HE2 LYS 33 2HE LYS 33 -9.864 -0.244 -3.883 247 HE3 LYS 33 1HE LYS 33 -9.838 -1.993 -3.691 248 HZ1 LYS 33 3HZ LYS 33 -12.092 -1.919 -2.851 249 HZ2 LYS 33 1HZ LYS 33 -12.022 -1.154 -4.363 250 HZ3 LYS 33 2HZ LYS 33 -12.109 -0.226 -2.951 251 H VAL 34 H VAL 34 -8.579 -4.586 0.468 252 HA VAL 34 HA VAL 34 -9.108 -5.075 3.243 253 HB VAL 34 HB VAL 34 -6.634 -5.168 3.473 254 HG11 VAL 34 1HG1 VAL 34 -6.316 -7.165 2.077 255 HG12 VAL 34 2HG1 VAL 34 -7.774 -6.758 1.174 256 HG13 VAL 34 3HG1 VAL 34 -7.886 -7.171 2.883 257 HG21 VAL 34 3HG2 VAL 34 -5.252 -5.060 1.424 258 HG22 VAL 34 1HG2 VAL 34 -5.999 -3.510 1.818 259 HG23 VAL 34 2HG2 VAL 34 -6.665 -4.506 0.524 260 H GLN 35 H GLN 35 -8.486 -2.320 1.341 261 HA GLN 35 HA GLN 35 -8.424 -0.102 1.783 262 HB2 GLN 35 2HB GLN 35 -10.100 -0.796 3.614 263 HB3 GLN 35 1HB GLN 35 -8.746 -0.653 4.726 264 HG2 GLN 35 2HG GLN 35 -8.452 1.699 3.925 265 HG3 GLN 35 1HG GLN 35 -9.960 1.512 3.032 266 HE21 GLN 35 1HE2 GLN 35 -11.909 1.301 4.180 267 HE22 GLN 35 2HE2 GLN 35 -12.034 1.812 5.836 268 H VAL 36 H VAL 36 -7.176 1.544 3.276 269 HA VAL 36 HA VAL 36 -4.413 0.562 3.353 270 HB VAL 36 HB VAL 36 -4.835 2.406 1.799 271 HG11 VAL 36 1HG1 VAL 36 -5.460 4.642 2.641 272 HG12 VAL 36 2HG1 VAL 36 -5.757 3.936 4.229 273 HG13 VAL 36 3HG1 VAL 36 -6.740 3.446 2.850 274 HG21 VAL 36 3HG2 VAL 36 -3.132 3.988 2.582 275 HG22 VAL 36 1HG2 VAL 36 -2.644 2.313 2.842 276 HG23 VAL 36 2HG2 VAL 36 -3.225 3.283 4.196 277 H ILE 37 H ILE 37 -3.111 0.884 5.167 278 HA ILE 37 HA ILE 37 -4.472 1.264 7.674 279 HB ILE 37 HB ILE 37 -1.498 1.062 7.154 280 HG12 ILE 37 2HG1 ILE 37 -2.910 -1.236 8.331 281 HG13 ILE 37 1HG1 ILE 37 -3.343 -0.894 6.659 282 HG21 ILE 37 1HG2 ILE 37 -1.358 0.421 9.518 283 HG22 ILE 37 2HG2 ILE 37 -3.088 0.716 9.691 284 HG23 ILE 37 3HG2 ILE 37 -1.999 2.051 9.311 285 HD11 ILE 37 3HD1 ILE 37 -1.000 -1.028 6.018 286 HD12 ILE 37 1HD1 ILE 37 -1.537 -2.512 6.803 287 HD13 ILE 37 2HD1 ILE 37 -0.555 -1.349 7.694 288 H SER 38 H SER 38 -1.810 2.943 6.026 289 HA SER 38 HA SER 38 -2.829 5.528 6.494 290 HB2 SER 38 2HB SER 38 -2.106 4.933 8.832 291 HB3 SER 38 1HB SER 38 -0.452 4.816 8.239 292 HG SER 38 HG SER 38 -0.334 6.898 8.429 293 H GLU 39 H GLU 39 -1.294 7.184 5.835 294 HA GLU 39 HA GLU 39 0.624 6.074 3.895 295 HB2 GLU 39 2HB GLU 39 0.134 8.052 2.484 296 HB3 GLU 39 1HB GLU 39 -1.252 7.006 2.706 297 HG2 GLU 39 2HG GLU 39 -0.812 9.498 4.329 298 HG3 GLU 39 1HG GLU 39 -1.681 9.490 2.799 299 H ASN 40 H ASN 40 2.619 6.987 3.746 300 HA ASN 40 HA ASN 40 3.378 9.461 4.886 301 HB2 ASN 40 2HB ASN 40 2.951 8.006 6.964 302 HB3 ASN 40 1HB ASN 40 4.373 7.101 6.482 303 HD21 ASN 40 1HD2 ASN 40 3.160 10.095 7.718 304 HD22 ASN 40 2HD2 ASN 40 4.687 10.757 8.198 305 H SER 41 H SER 41 5.635 9.867 4.615 306 HA SER 41 HA SER 41 7.698 9.679 3.736 307 HB2 SER 41 2HB SER 41 7.211 6.694 3.854 308 HB3 SER 41 1HB SER 41 8.763 7.511 3.761 309 HG SER 41 HG SER 41 7.044 8.198 5.852 310 H GLY 42 H GLY 42 5.119 9.488 2.051 311 HA2 GLY 42 2HA GLY 42 5.273 10.124 -0.271 312 HA3 GLY 42 1HA GLY 42 6.591 8.980 -0.450 313 H TRP 43 H TRP 43 4.925 7.019 1.212 314 HA TRP 43 HA TRP 43 3.142 6.201 -0.984 315 HB2 TRP 43 2HB TRP 43 5.133 4.506 0.512 316 HB3 TRP 43 1HB TRP 43 3.788 3.812 -0.383 317 HD1 TRP 43 HD1 TRP 43 4.205 6.102 -2.816 318 HE1 TRP 43 HE1 TRP 43 6.066 5.586 -4.521 319 HE3 TRP 43 HE3 TRP 43 6.859 2.744 -0.074 320 HZ2 TRP 43 HZ2 TRP 43 8.380 3.953 -4.666 321 HZ3 TRP 43 HZ3 TRP 43 8.887 1.736 -1.053 322 HH2 TRP 43 HH2 TRP 43 9.625 2.330 -3.304 323 H SER 44 H SER 44 1.543 4.612 -0.379 324 HA SER 44 HA SER 44 0.542 5.105 2.337 325 HB2 SER 44 2HB SER 44 -0.911 4.014 -0.089 326 HB3 SER 44 1HB SER 44 -1.641 4.403 1.470 327 HG SER 44 HG SER 44 -0.611 6.597 0.981 328 H LYS 45 H LYS 45 0.712 3.537 3.795 329 HA LYS 45 HA LYS 45 1.756 0.975 3.035 330 HB2 LYS 45 2HB LYS 45 2.579 2.237 4.970 331 HB3 LYS 45 1HB LYS 45 0.984 2.154 5.700 332 HG2 LYS 45 2HG LYS 45 1.161 -0.209 5.973 333 HG3 LYS 45 1HG LYS 45 2.672 -0.245 5.054 334 HD2 LYS 45 2HD LYS 45 2.207 1.176 7.667 335 HD3 LYS 45 1HD LYS 45 3.108 -0.313 7.428 336 HE2 LYS 45 2HE LYS 45 4.743 0.797 6.092 337 HE3 LYS 45 1HE LYS 45 3.800 2.282 6.098 338 HZ1 LYS 45 3HZ LYS 45 4.128 2.340 8.551 339 HZ2 LYS 45 1HZ LYS 45 5.556 2.525 7.653 340 HZ3 LYS 45 2HZ LYS 45 5.212 1.040 8.395 341 H ILE 46 H ILE 46 0.617 -0.782 2.729 342 HA ILE 46 HA ILE 46 -2.151 -0.867 3.720 343 HB ILE 46 HB ILE 46 -2.714 -2.176 1.622 344 HG12 ILE 46 2HG1 ILE 46 -0.113 -0.937 0.699 345 HG13 ILE 46 1HG1 ILE 46 -0.454 -2.657 0.858 346 HG21 ILE 46 1HG2 ILE 46 -3.506 0.084 1.981 347 HG22 ILE 46 2HG2 ILE 46 -3.080 -0.150 0.284 348 HG23 ILE 46 3HG2 ILE 46 -1.993 0.738 1.353 349 HD11 ILE 46 3HD1 ILE 46 -0.544 -1.955 -1.459 350 HD12 ILE 46 1HD1 ILE 46 -1.787 -0.766 -1.067 351 HD13 ILE 46 2HD1 ILE 46 -2.132 -2.487 -0.905 352 H ASN 47 H ASN 47 -2.960 -2.885 4.262 353 HA ASN 47 HA ASN 47 -0.918 -4.979 4.583 354 HB2 ASN 47 2HB ASN 47 -1.871 -4.122 6.705 355 HB3 ASN 47 1HB ASN 47 -3.483 -4.558 6.148 356 HD21 ASN 47 1HD2 ASN 47 -0.496 -5.685 7.448 357 HD22 ASN 47 2HD2 ASN 47 -1.004 -7.317 7.744 358 H TYR 48 H TYR 48 -1.116 -6.517 3.104 359 HA TYR 48 HA TYR 48 -3.793 -7.068 2.036 360 HB2 TYR 48 2HB TYR 48 -1.865 -6.421 0.490 361 HB3 TYR 48 1HB TYR 48 -1.176 -8.000 0.859 362 HD1 TYR 48 HD2 TYR 48 -4.001 -6.257 -0.742 363 HD2 TYR 48 HD1 TYR 48 -2.062 -9.993 -0.133 364 HE1 TYR 48 HE2 TYR 48 -5.370 -7.249 -2.525 365 HE2 TYR 48 HE1 TYR 48 -3.424 -10.997 -1.914 366 HH TYR 48 HH TYR 48 -5.293 -9.144 -4.066 367 H ASN 49 H ASN 49 -4.428 -8.308 3.794 368 HA ASN 49 HA ASN 49 -4.862 -10.247 4.883 369 HB2 ASN 49 2HB ASN 49 -4.920 -11.066 2.464 370 HB3 ASN 49 1HB ASN 49 -3.294 -11.684 2.740 371 HD21 ASN 49 1HD2 ASN 49 -3.779 -13.822 2.553 372 HD22 ASN 49 2HD2 ASN 49 -4.771 -14.675 3.697 373 H GLY 50 H GLY 50 -2.820 -8.867 5.965 374 HA2 GLY 50 2HA GLY 50 -1.562 -9.497 7.860 375 HA3 GLY 50 1HA GLY 50 -1.293 -11.069 7.135 376 H GLN 51 H GLN 51 -0.511 -9.456 4.557 377 HA GLN 51 HA GLN 51 2.241 -9.017 5.492 378 HB2 GLN 51 2HB GLN 51 2.974 -9.328 3.194 379 HB3 GLN 51 1HB GLN 51 2.027 -10.703 3.733 380 HG2 GLN 51 2HG GLN 51 0.074 -9.742 2.530 381 HG3 GLN 51 1HG GLN 51 1.147 -8.490 1.901 382 HE21 GLN 51 1HE2 GLN 51 0.284 -11.852 1.777 383 HE22 GLN 51 2HE2 GLN 51 1.191 -12.242 0.361 384 H THR 52 H THR 52 3.414 -7.206 4.844 385 HA THR 52 HA THR 52 1.708 -4.854 4.581 386 HB THR 52 HB THR 52 4.658 -4.999 5.234 387 HG1 THR 52 HG1 THR 52 3.746 -5.892 6.985 388 HG21 THR 52 3HG2 THR 52 2.656 -2.760 5.582 389 HG22 THR 52 1HG2 THR 52 3.942 -2.817 4.375 390 HG23 THR 52 2HG2 THR 52 4.345 -2.725 6.089 391 H GLY 53 H GLY 53 1.591 -3.671 2.789 392 HA2 GLY 53 2HA GLY 53 3.831 -3.793 0.873 393 HA3 GLY 53 1HA GLY 53 2.172 -3.966 0.315 394 H TYR 54 H TYR 54 3.628 -1.986 -0.782 395 HA TYR 54 HA TYR 54 2.409 0.411 0.405 396 HB2 TYR 54 2HB TYR 54 5.177 0.219 -0.805 397 HB3 TYR 54 1HB TYR 54 4.388 1.717 -0.330 398 HD1 TYR 54 HD1 TYR 54 4.095 2.270 2.028 399 HD2 TYR 54 HD2 TYR 54 6.115 -1.275 0.830 400 HE1 TYR 54 HE1 TYR 54 5.039 2.049 4.285 401 HE2 TYR 54 HE2 TYR 54 7.065 -1.506 3.084 402 HH TYR 54 HH TYR 54 7.562 -0.153 5.022 403 H ILE 55 H ILE 55 1.724 1.976 -1.054 404 HA ILE 55 HA ILE 55 2.225 1.550 -3.891 405 HB ILE 55 HB ILE 55 -0.211 2.137 -4.383 406 HG12 ILE 55 2HG1 ILE 55 -1.721 1.055 -2.517 407 HG13 ILE 55 1HG1 ILE 55 -0.387 1.506 -1.463 408 HG21 ILE 55 1HG2 ILE 55 -0.929 -0.202 -4.272 409 HG22 ILE 55 2HG2 ILE 55 0.434 -0.559 -3.213 410 HG23 ILE 55 3HG2 ILE 55 0.721 -0.035 -4.873 411 HD11 ILE 55 3HD1 ILE 55 -2.103 3.202 -1.445 412 HD12 ILE 55 1HD1 ILE 55 -1.986 3.372 -3.196 413 HD13 ILE 55 2HD1 ILE 55 -0.626 3.835 -2.172 414 H GLY 56 H GLY 56 1.967 3.459 -5.154 415 HA2 GLY 56 2HA GLY 56 2.575 5.857 -3.713 416 HA3 GLY 56 1HA GLY 56 2.375 5.707 -5.454 417 H THR 57 H THR 57 1.247 7.405 -3.044 418 HA THR 57 HA THR 57 -1.519 6.949 -2.938 419 HB THR 57 HB THR 57 -0.187 9.607 -2.419 420 HG1 THR 57 HG1 THR 57 -0.258 7.231 -0.832 421 HG21 THR 57 3HG2 THR 57 -2.644 9.549 -2.240 422 HG22 THR 57 1HG2 THR 57 -1.890 9.781 -0.664 423 HG23 THR 57 2HG2 THR 57 -2.527 8.198 -1.110 424 H ARG 58 H ARG 58 0.239 8.103 -5.534 425 HA ARG 58 HA ARG 58 -1.523 10.055 -6.573 426 HB2 ARG 58 2HB ARG 58 0.296 8.219 -8.137 427 HB3 ARG 58 1HB ARG 58 -0.332 9.774 -8.639 428 HG2 ARG 58 2HG ARG 58 0.949 10.798 -6.744 429 HG3 ARG 58 1HG ARG 58 1.718 9.226 -6.523 430 HD2 ARG 58 2HD ARG 58 1.868 11.061 -8.901 431 HD3 ARG 58 1HD ARG 58 3.186 10.502 -7.872 432 HE ARG 58 HE ARG 58 1.719 8.818 -9.806 433 HH11 ARG 58 1HH1 ARG 58 4.597 9.571 -7.952 434 HH12 ARG 58 2HH1 ARG 58 5.566 8.352 -8.728 435 HH21 ARG 58 1HH2 ARG 58 2.978 7.226 -10.820 436 HH22 ARG 58 2HH2 ARG 58 4.639 7.013 -10.363 437 H TYR 59 H TYR 59 -1.362 6.540 -6.743 438 HA TYR 59 HA TYR 59 -4.026 6.577 -7.959 439 HB2 TYR 59 2HB TYR 59 -1.605 5.148 -8.869 440 HB3 TYR 59 1HB TYR 59 -3.090 4.212 -8.846 441 HD1 TYR 59 HD2 TYR 59 -1.441 7.168 -10.273 442 HD2 TYR 59 HD1 TYR 59 -4.840 4.620 -10.441 443 HE1 TYR 59 HE2 TYR 59 -2.099 8.199 -12.407 444 HE2 TYR 59 HE1 TYR 59 -5.509 5.645 -12.575 445 HH TYR 59 HH TYR 59 -5.167 7.726 -13.805 446 H LEU 60 H LEU 60 -5.436 5.702 -6.677 447 HA LEU 60 HA LEU 60 -4.857 3.315 -5.150 448 HB2 LEU 60 2HB LEU 60 -4.130 5.496 -3.865 449 HB3 LEU 60 1HB LEU 60 -5.848 5.697 -3.603 450 HG LEU 60 HG LEU 60 -4.279 3.265 -2.734 451 HD11 LEU 60 1HD1 LEU 60 -5.160 5.664 -1.144 452 HD12 LEU 60 2HD1 LEU 60 -3.500 5.241 -1.562 453 HD13 LEU 60 3HD1 LEU 60 -4.429 4.201 -0.483 454 HD21 LEU 60 3HD2 LEU 60 -6.660 2.828 -3.042 455 HD22 LEU 60 1HD2 LEU 60 -7.053 4.208 -2.016 456 HD23 LEU 60 2HD2 LEU 60 -6.228 2.808 -1.332 457 H SER 61 H SER 61 -6.686 2.123 -5.070 458 HA SER 61 HA SER 61 -9.113 3.295 -6.145 459 HB2 SER 61 2HB SER 61 -8.191 1.035 -6.873 460 HB3 SER 61 1HB SER 61 -8.684 0.425 -5.295 461 HG SER 61 HG SER 61 -10.285 1.396 -7.413 462 H LYS 62 H LYS 62 -10.616 4.091 -4.876 463 HA LYS 62 HA LYS 62 -10.513 3.826 -2.027 464 HB2 LYS 62 2HB LYS 62 -11.344 5.781 -3.618 465 HB3 LYS 62 1HB LYS 62 -12.890 4.973 -3.386 466 HG2 LYS 62 2HG LYS 62 -12.726 5.235 -1.002 467 HG3 LYS 62 1HG LYS 62 -11.100 5.902 -1.151 468 HD2 LYS 62 2HD LYS 62 -13.643 7.128 -2.196 469 HD3 LYS 62 1HD LYS 62 -12.710 7.670 -0.804 470 HE2 LYS 62 2HE LYS 62 -11.728 7.609 -3.653 471 HE3 LYS 62 1HE LYS 62 -12.293 9.045 -2.800 472 HZ1 LYS 62 3HZ LYS 62 -10.479 8.801 -1.236 473 HZ2 LYS 62 1HZ LYS 62 -9.875 8.880 -2.819 474 HZ3 LYS 62 2HZ LYS 62 -9.950 7.388 -2.012 475 H LEU 63 H LEU 63 -13.240 3.747 -1.333 476 HA LEU 63 HA LEU 63 -13.686 0.950 -1.301 477 HB2 LEU 63 2HB LEU 63 -15.898 1.605 -0.251 478 HB3 LEU 63 1HB LEU 63 -14.442 2.096 0.588 479 HG LEU 63 HG LEU 63 -14.811 4.356 -0.694 480 HD11 LEU 63 1HD1 LEU 63 -16.646 3.672 -2.094 481 HD12 LEU 63 2HD1 LEU 63 -17.213 4.875 -0.935 482 HD13 LEU 63 3HD1 LEU 63 -17.579 3.169 -0.685 483 HD21 LEU 63 3HD2 LEU 63 -14.823 4.098 1.719 484 HD22 LEU 63 1HD2 LEU 63 -16.485 3.508 1.662 485 HD23 LEU 63 2HD2 LEU 63 -16.124 5.171 1.201 486 H GLU 64 H GLU 64 -14.944 3.576 -3.226 487 HA GLU 64 HA GLU 64 -16.145 3.651 -5.132 488 HB2 GLU 64 2HB GLU 64 -14.430 1.221 -5.497 489 HB3 GLU 64 1HB GLU 64 -15.476 1.808 -6.782 490 HG2 GLU 64 2HG GLU 64 -13.310 3.396 -5.429 491 HG3 GLU 64 1HG GLU 64 -13.201 2.644 -7.022 492 H HIS 65 H HIS 65 -18.013 3.149 -3.605 493 HA HIS 65 HA HIS 65 -20.102 2.316 -3.372 494 HB2 HIS 65 2HB HIS 65 -20.187 3.123 -5.710 495 HB3 HIS 65 1HB HIS 65 -19.733 1.516 -6.265 496 HD1 HIS 65 HD1 HIS 65 -21.729 0.387 -7.187 497 HD2 HIS 65 HD2 HIS 65 -22.645 2.678 -3.839 498 HE1 HIS 65 HE1 HIS 65 -24.190 0.056 -6.785 499 HE2 HIS 65 HE2 HIS 65 -24.663 1.266 -4.627 500 H HIS 66 H HIS 66 -19.795 0.705 -1.877 501 HA HIS 66 HA HIS 66 -19.717 -2.026 -2.988 502 HB2 HIS 66 2HB HIS 66 -18.844 -2.761 -0.770 503 HB3 HIS 66 1HB HIS 66 -17.748 -1.688 -1.631 504 HD1 HIS 66 HD1 HIS 66 -17.028 0.395 -0.454 505 HD2 HIS 66 HD2 HIS 66 -20.191 -1.495 1.467 506 HE1 HIS 66 HE1 HIS 66 -17.312 1.607 1.732 507 HE2 HIS 66 HE2 HIS 66 -19.144 0.370 2.933 508 H HIS 67 H HIS 67 -20.899 -3.635 -1.634 509 HA HIS 67 HA HIS 67 -23.551 -2.648 -1.125 510 HB2 HIS 67 2HB HIS 67 -23.206 -4.811 -2.221 511 HB3 HIS 67 1HB HIS 67 -22.372 -5.416 -0.795 512 HD1 HIS 67 HD1 HIS 67 -25.805 -4.355 -1.946 513 HD2 HIS 67 HD2 HIS 67 -24.003 -6.440 1.168 514 HE1 HIS 67 HE1 HIS 67 -27.692 -5.388 -0.640 515 HE2 HIS 67 HE2 HIS 67 -26.581 -6.459 1.358 516 H HIS 68 H HIS 68 -24.526 -2.283 0.776 517 HA HIS 68 HA HIS 68 -22.876 -2.480 3.193 518 HB2 HIS 68 2HB HIS 68 -23.927 -0.300 2.679 519 HB3 HIS 68 1HB HIS 68 -25.514 -1.057 2.733 520 HD1 HIS 68 HD1 HIS 68 -26.674 -0.984 4.933 521 HD2 HIS 68 HD2 HIS 68 -22.566 -0.415 5.290 522 HE1 HIS 68 HE1 HIS 68 -26.267 -0.441 7.360 523 HE2 HIS 68 HE2 HIS 68 -23.784 -0.028 7.541 524 H HIS 69 H HIS 69 -23.056 -4.409 4.157 525 HA HIS 69 HA HIS 69 -25.538 -5.901 3.979 526 HB2 HIS 69 2HB HIS 69 -23.284 -6.982 3.727 527 HB3 HIS 69 1HB HIS 69 -22.998 -6.659 5.433 528 HD1 HIS 69 HD1 HIS 69 -23.586 -8.519 6.943 529 HD2 HIS 69 HD2 HIS 69 -25.732 -8.683 3.385 530 HE1 HIS 69 HE1 HIS 69 -24.944 -10.635 7.065 531 HE2 HIS 69 HE2 HIS 69 -26.028 -10.831 4.796 532 H HIS 70 H HIS 70 -27.118 -5.511 5.344 533 HA HIS 70 HA HIS 70 -26.469 -4.938 8.158 534 HB2 HIS 70 2HB HIS 70 -27.360 -2.930 7.019 535 HB3 HIS 70 1HB HIS 70 -28.787 -3.839 6.539 536 HD1 HIS 70 HD1 HIS 70 -30.602 -4.233 8.313 537 HD2 HIS 70 HD2 HIS 70 -27.286 -2.158 9.726 538 HE1 HIS 70 HE1 HIS 70 -31.278 -3.310 10.551 539 HE2 HIS 70 HE2 HIS 70 -29.325 -1.908 11.293 Start of MODEL 13 1 H1 MET 1 1H MET 1 -4.928 14.945 -4.844 2 H2 MET 1 2H MET 1 -3.676 16.037 -5.170 3 H3 MET 1 3H MET 1 -3.884 14.668 -6.146 4 HA MET 1 HA MET 1 -5.861 16.856 -5.880 5 HB2 MET 1 2HB MET 1 -4.022 16.258 -8.208 6 HB3 MET 1 1HB MET 1 -5.217 17.539 -8.130 7 HG2 MET 1 2HG MET 1 -3.190 18.610 -7.784 8 HG3 MET 1 1HG MET 1 -3.866 18.441 -6.164 9 HE1 MET 1 3HE MET 1 -0.793 19.062 -6.963 10 HE2 MET 1 1HE MET 1 0.056 18.082 -5.767 11 HE3 MET 1 2HE MET 1 -1.359 19.019 -5.295 12 H ILE 2 H ILE 2 -7.823 16.285 -6.563 13 HA ILE 2 HA ILE 2 -8.178 13.789 -8.032 14 HB ILE 2 HB ILE 2 -10.264 15.778 -7.094 15 HG12 ILE 2 2HG1 ILE 2 -9.072 14.818 -5.190 16 HG13 ILE 2 1HG1 ILE 2 -10.708 14.172 -5.271 17 HG21 ILE 2 1HG2 ILE 2 -11.021 14.390 -8.954 18 HG22 ILE 2 2HG2 ILE 2 -11.865 13.972 -7.463 19 HG23 ILE 2 3HG2 ILE 2 -10.568 12.937 -8.062 20 HD11 ILE 2 3HD1 ILE 2 -9.070 12.456 -4.702 21 HD12 ILE 2 1HD1 ILE 2 -8.219 12.763 -6.216 22 HD13 ILE 2 2HD1 ILE 2 -9.857 12.111 -6.241 23 H GLY 3 H GLY 3 -7.202 14.355 -10.015 24 HA2 GLY 3 2HA GLY 3 -8.370 16.692 -11.386 25 HA3 GLY 3 1HA GLY 3 -6.750 16.083 -11.666 26 H ASP 4 H ASP 4 -8.678 13.434 -11.399 27 HA ASP 4 HA ASP 4 -9.705 11.991 -12.815 28 HB2 ASP 4 2HB ASP 4 -9.994 14.428 -14.580 29 HB3 ASP 4 1HB ASP 4 -10.661 12.851 -14.983 30 H TYR 5 H TYR 5 -7.525 14.134 -14.641 31 HA TYR 5 HA TYR 5 -6.710 12.010 -16.404 32 HB2 TYR 5 2HB TYR 5 -5.499 14.753 -15.991 33 HB3 TYR 5 1HB TYR 5 -5.158 13.667 -17.332 34 HD1 TYR 5 HD1 TYR 5 -6.999 13.154 -18.976 35 HD2 TYR 5 HD2 TYR 5 -7.353 16.207 -16.030 36 HE1 TYR 5 HE1 TYR 5 -8.847 14.161 -20.246 37 HE2 TYR 5 HE2 TYR 5 -9.195 17.223 -17.298 38 HH TYR 5 HH TYR 5 -10.089 17.272 -19.551 39 H TYR 6 H TYR 6 -5.459 13.578 -13.537 40 HA TYR 6 HA TYR 6 -2.945 12.123 -13.739 41 HB2 TYR 6 2HB TYR 6 -3.803 14.266 -11.779 42 HB3 TYR 6 1HB TYR 6 -2.188 13.573 -11.898 43 HD1 TYR 6 HD1 TYR 6 -4.680 15.671 -13.643 44 HD2 TYR 6 HD2 TYR 6 -0.646 14.326 -13.561 45 HE1 TYR 6 HE1 TYR 6 -4.095 17.347 -15.339 46 HE2 TYR 6 HE2 TYR 6 -0.049 16.009 -15.255 47 HH TYR 6 HH TYR 6 -2.267 18.509 -16.227 48 H ILE 7 H ILE 7 -4.128 10.122 -13.400 49 HA ILE 7 HA ILE 7 -3.689 9.124 -10.811 50 HB ILE 7 HB ILE 7 -5.820 10.315 -10.317 51 HG12 ILE 7 2HG1 ILE 7 -6.057 7.298 -10.235 52 HG13 ILE 7 1HG1 ILE 7 -5.170 8.277 -9.074 53 HG21 ILE 7 1HG2 ILE 7 -7.922 9.506 -11.252 54 HG22 ILE 7 2HG2 ILE 7 -7.039 8.392 -12.295 55 HG23 ILE 7 3HG2 ILE 7 -6.864 10.133 -12.515 56 HD11 ILE 7 3HD1 ILE 7 -7.326 7.599 -8.202 57 HD12 ILE 7 1HD1 ILE 7 -8.133 8.375 -9.564 58 HD13 ILE 7 2HD1 ILE 7 -7.248 9.351 -8.392 59 H ASN 8 H ASN 8 -4.036 6.799 -10.749 60 HA ASN 8 HA ASN 8 -3.933 5.667 -13.433 61 HB2 ASN 8 2HB ASN 8 -2.151 5.124 -11.786 62 HB3 ASN 8 1HB ASN 8 -3.364 4.338 -10.783 63 HD21 ASN 8 1HD2 ASN 8 -2.388 2.351 -10.899 64 HD22 ASN 8 2HD2 ASN 8 -2.406 1.382 -12.337 65 H ALA 9 H ALA 9 -6.113 5.616 -14.027 66 HA ALA 9 HA ALA 9 -7.759 3.725 -12.483 67 HB1 ALA 9 3HB ALA 9 -8.526 6.055 -12.174 68 HB2 ALA 9 1HB ALA 9 -9.733 5.032 -12.955 69 HB3 ALA 9 2HB ALA 9 -8.787 6.171 -13.915 70 H SER 10 H SER 10 -7.482 1.957 -13.740 71 HA SER 10 HA SER 10 -8.898 1.975 -16.272 72 HB2 SER 10 2HB SER 10 -6.042 0.958 -16.133 73 HB3 SER 10 1HB SER 10 -7.104 0.913 -17.543 74 HG SER 10 HG SER 10 -7.040 3.411 -16.696 75 H ALA 11 H ALA 11 -6.603 -0.229 -14.701 76 HA ALA 11 HA ALA 11 -8.694 -2.015 -13.830 77 HB1 ALA 11 3HB ALA 11 -7.910 -3.948 -15.102 78 HB2 ALA 11 1HB ALA 11 -6.735 -2.936 -15.939 79 HB3 ALA 11 2HB ALA 11 -8.462 -2.670 -16.185 80 H LEU 12 H LEU 12 -5.217 -2.063 -14.632 81 HA LEU 12 HA LEU 12 -4.529 -3.169 -12.051 82 HB2 LEU 12 2HB LEU 12 -2.774 -2.085 -14.271 83 HB3 LEU 12 1HB LEU 12 -2.176 -2.851 -12.816 84 HG LEU 12 HG LEU 12 -2.022 -4.450 -14.555 85 HD11 LEU 12 1HD1 LEU 12 -4.449 -5.061 -12.889 86 HD12 LEU 12 2HD1 LEU 12 -2.766 -5.388 -12.470 87 HD13 LEU 12 3HD1 LEU 12 -3.523 -6.243 -13.815 88 HD21 LEU 12 3HD2 LEU 12 -3.901 -5.151 -15.942 89 HD22 LEU 12 1HD2 LEU 12 -3.537 -3.440 -16.165 90 HD23 LEU 12 2HD2 LEU 12 -4.921 -3.928 -15.185 91 H ASN 13 H ASN 13 -5.538 -1.469 -10.798 92 HA ASN 13 HA ASN 13 -4.680 1.253 -11.270 93 HB2 ASN 13 2HB ASN 13 -6.649 0.134 -9.270 94 HB3 ASN 13 1HB ASN 13 -6.337 1.848 -9.522 95 HD21 ASN 13 1HD2 ASN 13 -8.835 0.506 -9.811 96 HD22 ASN 13 2HD2 ASN 13 -9.325 0.684 -11.456 97 H VAL 14 H VAL 14 -4.205 -1.195 -8.755 98 HA VAL 14 HA VAL 14 -3.127 0.730 -6.916 99 HB VAL 14 HB VAL 14 -3.002 -2.283 -6.784 100 HG11 VAL 14 1HG1 VAL 14 -2.675 -1.907 -4.377 101 HG12 VAL 14 2HG1 VAL 14 -2.590 -0.169 -4.674 102 HG13 VAL 14 3HG1 VAL 14 -1.362 -1.243 -5.348 103 HG21 VAL 14 3HG2 VAL 14 -4.996 -0.362 -5.580 104 HG22 VAL 14 1HG2 VAL 14 -4.932 -2.099 -5.285 105 HG23 VAL 14 2HG2 VAL 14 -5.304 -1.492 -6.898 106 H ARG 15 H ARG 15 -1.621 -2.171 -8.368 107 HA ARG 15 HA ARG 15 0.543 -2.674 -8.878 108 HB2 ARG 15 2HB ARG 15 0.388 0.211 -9.718 109 HB3 ARG 15 1HB ARG 15 1.840 -0.751 -9.964 110 HG2 ARG 15 2HG ARG 15 -0.894 -1.349 -11.072 111 HG3 ARG 15 1HG ARG 15 0.476 -0.687 -11.965 112 HD2 ARG 15 2HD ARG 15 1.741 -2.786 -11.253 113 HD3 ARG 15 1HD ARG 15 0.170 -3.433 -10.778 114 HE ARG 15 HE ARG 15 0.179 -2.408 -13.457 115 HH11 ARG 15 1HH1 ARG 15 0.979 -5.207 -11.504 116 HH12 ARG 15 2HH1 ARG 15 0.876 -6.324 -12.827 117 HH21 ARG 15 1HH2 ARG 15 0.054 -3.876 -15.214 118 HH22 ARG 15 2HH2 ARG 15 0.360 -5.572 -14.933 119 H SER 16 H SER 16 -0.045 -1.521 -6.135 120 HA SER 16 HA SER 16 1.051 -1.066 -4.214 121 HB2 SER 16 2HB SER 16 3.554 -1.864 -5.717 122 HB3 SER 16 1HB SER 16 3.325 -1.860 -3.967 123 HG SER 16 HG SER 16 2.680 -3.755 -5.785 124 H GLY 17 H GLY 17 0.798 1.019 -6.371 125 HA2 GLY 17 2HA GLY 17 1.119 3.328 -5.671 126 HA3 GLY 17 1HA GLY 17 2.735 2.881 -5.142 127 H GLU 18 H GLU 18 4.354 3.329 -6.467 128 HA GLU 18 HA GLU 18 3.804 4.681 -8.920 129 HB2 GLU 18 2HB GLU 18 6.499 3.767 -7.928 130 HB3 GLU 18 1HB GLU 18 6.162 5.076 -9.051 131 HG2 GLU 18 2HG GLU 18 5.573 4.999 -6.105 132 HG3 GLU 18 1HG GLU 18 6.751 6.007 -6.941 133 H GLY 19 H GLY 19 3.965 1.459 -8.214 134 HA2 GLY 19 2HA GLY 19 3.707 -0.266 -9.794 135 HA3 GLY 19 1HA GLY 19 4.439 0.769 -11.013 136 H THR 20 H THR 20 5.851 0.316 -7.858 137 HA THR 20 HA THR 20 8.308 -0.558 -9.011 138 HB THR 20 HB THR 20 8.980 -0.831 -6.568 139 HG1 THR 20 HG1 THR 20 7.559 -0.093 -5.038 140 HG21 THR 20 3HG2 THR 20 9.084 1.596 -6.179 141 HG22 THR 20 1HG2 THR 20 7.937 1.847 -7.497 142 HG23 THR 20 2HG2 THR 20 9.534 1.176 -7.831 143 H ASN 21 H ASN 21 6.209 -2.038 -6.553 144 HA ASN 21 HA ASN 21 7.178 -4.672 -7.407 145 HB2 ASN 21 2HB ASN 21 5.977 -3.706 -4.821 146 HB3 ASN 21 1HB ASN 21 6.039 -5.420 -5.214 147 HD21 ASN 21 1HD2 ASN 21 7.880 -2.609 -4.350 148 HD22 ASN 21 2HD2 ASN 21 9.369 -3.433 -4.050 149 H TYR 22 H TYR 22 5.895 -5.095 -9.145 150 HA TYR 22 HA TYR 22 3.007 -4.820 -8.831 151 HB2 TYR 22 2HB TYR 22 3.048 -5.588 -11.299 152 HB3 TYR 22 1HB TYR 22 3.633 -3.977 -10.908 153 HD1 TYR 22 HD1 TYR 22 4.745 -7.434 -11.698 154 HD2 TYR 22 HD2 TYR 22 5.832 -3.324 -11.448 155 HE1 TYR 22 HE1 TYR 22 6.861 -7.927 -12.852 156 HE2 TYR 22 HE2 TYR 22 7.949 -3.810 -12.597 157 HH TYR 22 HH TYR 22 9.424 -5.633 -13.052 158 H ARG 23 H ARG 23 5.228 -7.082 -8.100 159 HA ARG 23 HA ARG 23 3.789 -9.419 -8.988 160 HB2 ARG 23 2HB ARG 23 5.471 -10.669 -7.661 161 HB3 ARG 23 1HB ARG 23 6.187 -9.578 -8.839 162 HG2 ARG 23 2HG ARG 23 6.663 -7.964 -7.088 163 HG3 ARG 23 1HG ARG 23 5.895 -9.012 -5.893 164 HD2 ARG 23 2HD ARG 23 8.304 -9.745 -7.553 165 HD3 ARG 23 1HD ARG 23 8.353 -9.181 -5.884 166 HE ARG 23 HE ARG 23 6.656 -11.459 -6.184 167 HH11 ARG 23 1HH1 ARG 23 10.008 -10.472 -5.901 168 HH12 ARG 23 2HH1 ARG 23 10.531 -11.986 -5.240 169 HH21 ARG 23 1HH2 ARG 23 7.350 -13.453 -5.314 170 HH22 ARG 23 2HH2 ARG 23 9.023 -13.676 -4.900 171 H ILE 24 H ILE 24 3.775 -7.364 -6.212 172 HA ILE 24 HA ILE 24 2.458 -9.382 -4.573 173 HB ILE 24 HB ILE 24 4.104 -8.191 -3.365 174 HG12 ILE 24 2HG1 ILE 24 1.384 -7.096 -2.632 175 HG13 ILE 24 1HG1 ILE 24 2.073 -8.623 -2.094 176 HG21 ILE 24 1HG2 ILE 24 4.133 -5.752 -3.119 177 HG22 ILE 24 2HG2 ILE 24 2.807 -5.636 -4.278 178 HG23 ILE 24 3HG2 ILE 24 4.373 -6.266 -4.789 179 HD11 ILE 24 3HD1 ILE 24 3.803 -7.422 -0.875 180 HD12 ILE 24 1HD1 ILE 24 2.192 -6.919 -0.363 181 HD13 ILE 24 2HD1 ILE 24 3.138 -5.887 -1.434 182 H ILE 25 H ILE 25 1.787 -6.009 -5.579 183 HA ILE 25 HA ILE 25 -1.073 -6.709 -5.608 184 HB ILE 25 HB ILE 25 -0.131 -3.952 -4.881 185 HG12 ILE 25 2HG1 ILE 25 -0.874 -6.027 -2.843 186 HG13 ILE 25 1HG1 ILE 25 0.795 -5.648 -3.254 187 HG21 ILE 25 1HG2 ILE 25 -2.694 -5.431 -4.401 188 HG22 ILE 25 2HG2 ILE 25 -2.418 -4.186 -5.620 189 HG23 ILE 25 3HG2 ILE 25 -2.358 -3.772 -3.906 190 HD11 ILE 25 3HD1 ILE 25 0.398 -3.312 -2.578 191 HD12 ILE 25 1HD1 ILE 25 0.156 -4.462 -1.263 192 HD13 ILE 25 2HD1 ILE 25 -1.237 -3.758 -2.086 193 H GLY 26 H GLY 26 -2.198 -5.962 -7.407 194 HA2 GLY 26 2HA GLY 26 -0.765 -4.139 -9.219 195 HA3 GLY 26 1HA GLY 26 -1.237 -5.717 -9.820 196 H ALA 27 H ALA 27 -3.625 -6.221 -9.506 197 HA ALA 27 HA ALA 27 -5.006 -4.227 -11.020 198 HB1 ALA 27 3HB ALA 27 -6.813 -5.856 -11.130 199 HB2 ALA 27 1HB ALA 27 -6.014 -6.839 -9.903 200 HB3 ALA 27 2HB ALA 27 -5.259 -6.609 -11.479 201 H LEU 28 H LEU 28 -7.618 -4.562 -10.225 202 HA LEU 28 HA LEU 28 -7.787 -2.881 -7.853 203 HB2 LEU 28 2HB LEU 28 -9.066 -2.674 -10.187 204 HB3 LEU 28 1HB LEU 28 -10.187 -3.761 -9.396 205 HG LEU 28 HG LEU 28 -9.412 -0.999 -8.437 206 HD11 LEU 28 1HD1 LEU 28 -11.716 -0.422 -8.972 207 HD12 LEU 28 2HD1 LEU 28 -11.993 -2.057 -9.575 208 HD13 LEU 28 3HD1 LEU 28 -10.855 -0.993 -10.402 209 HD21 LEU 28 3HD2 LEU 28 -11.405 -2.947 -7.280 210 HD22 LEU 28 1HD2 LEU 28 -11.135 -1.293 -6.736 211 HD23 LEU 28 2HD2 LEU 28 -9.862 -2.499 -6.553 212 HA PRO 29 HA PRO 29 -8.510 -7.021 -6.115 213 HB2 PRO 29 2HB PRO 29 -7.284 -6.692 -3.783 214 HB3 PRO 29 1HB PRO 29 -6.351 -6.727 -5.288 215 HG2 PRO 29 2HG PRO 29 -7.237 -4.366 -3.676 216 HG3 PRO 29 1HG PRO 29 -5.650 -4.691 -4.394 217 HD2 PRO 29 2HD PRO 29 -7.576 -3.097 -5.542 218 HD3 PRO 29 1HD PRO 29 -6.293 -3.924 -6.448 219 H GLN 30 H GLN 30 -10.084 -4.251 -5.554 220 HA GLN 30 HA GLN 30 -11.969 -3.627 -4.472 221 HB2 GLN 30 2HB GLN 30 -11.992 -6.534 -3.699 222 HB3 GLN 30 1HB GLN 30 -13.194 -5.411 -3.084 223 HG2 GLN 30 2HG GLN 30 -12.685 -6.075 -5.972 224 HG3 GLN 30 1HG GLN 30 -14.052 -6.611 -4.998 225 HE21 GLN 30 1HE2 GLN 30 -12.703 -4.081 -6.865 226 HE22 GLN 30 2HE2 GLN 30 -14.034 -2.978 -6.750 227 H GLY 31 H GLY 31 -10.465 -5.895 -2.154 228 HA2 GLY 31 2HA GLY 31 -8.986 -4.727 -0.470 229 HA3 GLY 31 1HA GLY 31 -10.351 -3.642 -0.247 230 H GLN 32 H GLN 32 -9.346 -7.013 0.032 231 HA GLN 32 HA GLN 32 -11.564 -7.908 1.513 232 HB2 GLN 32 2HB GLN 32 -10.046 -9.796 2.178 233 HB3 GLN 32 1HB GLN 32 -10.167 -9.530 0.447 234 HG2 GLN 32 2HG GLN 32 -8.015 -8.299 0.543 235 HG3 GLN 32 1HG GLN 32 -7.896 -8.727 2.248 236 HE21 GLN 32 1HE2 GLN 32 -7.524 -10.872 2.824 237 HE22 GLN 32 2HE2 GLN 32 -6.925 -12.036 1.693 238 H LYS 33 H LYS 33 -8.323 -6.934 2.594 239 HA LYS 33 HA LYS 33 -9.511 -5.855 5.048 240 HB2 LYS 33 2HB LYS 33 -7.035 -7.606 4.962 241 HB3 LYS 33 1HB LYS 33 -7.584 -6.713 6.371 242 HG2 LYS 33 2HG LYS 33 -9.649 -8.048 6.388 243 HG3 LYS 33 1HG LYS 33 -9.047 -8.961 5.003 244 HD2 LYS 33 2HD LYS 33 -8.650 -10.190 7.057 245 HD3 LYS 33 1HD LYS 33 -7.116 -9.689 6.341 246 HE2 LYS 33 2HE LYS 33 -6.967 -7.838 7.911 247 HE3 LYS 33 1HE LYS 33 -8.534 -8.268 8.594 248 HZ1 LYS 33 3HZ LYS 33 -6.097 -9.964 8.659 249 HZ2 LYS 33 1HZ LYS 33 -7.606 -10.385 9.303 250 HZ3 LYS 33 2HZ LYS 33 -6.730 -9.094 9.966 251 H VAL 34 H VAL 34 -8.481 -4.895 2.443 252 HA VAL 34 HA VAL 34 -6.184 -3.280 3.318 253 HB VAL 34 HB VAL 34 -6.436 -4.474 0.555 254 HG11 VAL 34 1HG1 VAL 34 -4.125 -3.195 2.000 255 HG12 VAL 34 2HG1 VAL 34 -5.094 -2.457 0.723 256 HG13 VAL 34 3HG1 VAL 34 -4.086 -3.861 0.368 257 HG21 VAL 34 3HG2 VAL 34 -4.730 -6.100 1.181 258 HG22 VAL 34 1HG2 VAL 34 -6.189 -6.305 2.149 259 HG23 VAL 34 2HG2 VAL 34 -4.773 -5.519 2.846 260 H GLN 35 H GLN 35 -6.883 -1.205 3.247 261 HA GLN 35 HA GLN 35 -7.678 -0.298 0.625 262 HB2 GLN 35 2HB GLN 35 -9.440 1.224 1.503 263 HB3 GLN 35 1HB GLN 35 -9.851 -0.477 1.579 264 HG2 GLN 35 2HG GLN 35 -8.815 1.056 3.947 265 HG3 GLN 35 1HG GLN 35 -10.524 0.957 3.540 266 HE21 GLN 35 1HE2 GLN 35 -9.215 0.057 5.934 267 HE22 GLN 35 2HE2 GLN 35 -9.491 -1.654 6.045 268 H VAL 36 H VAL 36 -7.768 1.610 3.619 269 HA VAL 36 HA VAL 36 -5.132 2.716 3.011 270 HB VAL 36 HB VAL 36 -7.581 4.472 3.364 271 HG11 VAL 36 1HG1 VAL 36 -4.679 5.204 2.984 272 HG12 VAL 36 2HG1 VAL 36 -5.651 5.458 4.434 273 HG13 VAL 36 3HG1 VAL 36 -6.024 6.343 2.956 274 HG21 VAL 36 3HG2 VAL 36 -5.826 4.074 0.942 275 HG22 VAL 36 1HG2 VAL 36 -7.124 5.259 1.084 276 HG23 VAL 36 2HG2 VAL 36 -7.496 3.535 1.119 277 H ILE 37 H ILE 37 -4.060 2.443 4.891 278 HA ILE 37 HA ILE 37 -5.526 2.831 7.396 279 HB ILE 37 HB ILE 37 -2.749 1.708 6.996 280 HG12 ILE 37 2HG1 ILE 37 -4.890 -0.027 8.034 281 HG13 ILE 37 1HG1 ILE 37 -5.121 0.488 6.366 282 HG21 ILE 37 1HG2 ILE 37 -2.913 1.028 9.338 283 HG22 ILE 37 2HG2 ILE 37 -4.490 1.807 9.458 284 HG23 ILE 37 3HG2 ILE 37 -3.046 2.778 9.173 285 HD11 ILE 37 3HD1 ILE 37 -2.910 -0.390 5.805 286 HD12 ILE 37 1HD1 ILE 37 -3.974 -1.634 6.465 287 HD13 ILE 37 2HD1 ILE 37 -2.712 -0.924 7.474 288 H SER 38 H SER 38 -2.326 3.714 6.039 289 HA SER 38 HA SER 38 -2.743 6.473 6.583 290 HB2 SER 38 2HB SER 38 -2.252 5.733 8.877 291 HB3 SER 38 1HB SER 38 -0.735 5.024 8.335 292 HG SER 38 HG SER 38 -1.381 7.767 7.995 293 H GLU 39 H GLU 39 -1.056 7.778 5.831 294 HA GLU 39 HA GLU 39 0.788 6.356 4.025 295 HB2 GLU 39 2HB GLU 39 0.623 8.228 2.483 296 HB3 GLU 39 1HB GLU 39 -0.968 7.557 2.793 297 HG2 GLU 39 2HG GLU 39 -1.634 9.381 4.054 298 HG3 GLU 39 1HG GLU 39 0.024 9.905 4.347 299 H ASN 40 H ASN 40 2.856 7.214 3.752 300 HA ASN 40 HA ASN 40 3.706 9.552 5.197 301 HB2 ASN 40 2HB ASN 40 3.591 7.598 6.889 302 HB3 ASN 40 1HB ASN 40 4.990 6.959 6.038 303 HD21 ASN 40 1HD2 ASN 40 4.684 7.917 8.782 304 HD22 ASN 40 2HD2 ASN 40 5.870 9.160 8.988 305 H SER 41 H SER 41 5.321 10.445 4.081 306 HA SER 41 HA SER 41 7.189 10.718 2.819 307 HB2 SER 41 2HB SER 41 8.110 8.843 4.180 308 HB3 SER 41 1HB SER 41 7.506 7.706 2.977 309 HG SER 41 HG SER 41 9.102 8.213 1.680 310 H GLY 42 H GLY 42 4.454 10.033 1.754 311 HA2 GLY 42 2HA GLY 42 3.905 10.568 -0.508 312 HA3 GLY 42 1HA GLY 42 5.379 9.767 -1.028 313 H TRP 43 H TRP 43 4.626 7.534 0.934 314 HA TRP 43 HA TRP 43 2.639 6.247 -0.818 315 HB2 TRP 43 2HB TRP 43 5.217 5.235 0.279 316 HB3 TRP 43 1HB TRP 43 3.883 4.101 0.116 317 HD1 TRP 43 HD1 TRP 43 3.435 6.348 -2.686 318 HE1 TRP 43 HE1 TRP 43 4.495 5.412 -4.840 319 HE3 TRP 43 HE3 TRP 43 6.343 2.720 -0.601 320 HZ2 TRP 43 HZ2 TRP 43 6.342 3.367 -5.546 321 HZ3 TRP 43 HZ3 TRP 43 7.724 1.314 -2.073 322 HH2 TRP 43 HH2 TRP 43 7.719 1.634 -4.492 323 H SER 44 H SER 44 1.227 4.754 0.136 324 HA SER 44 HA SER 44 0.718 5.268 2.977 325 HB2 SER 44 2HB SER 44 -1.022 3.908 0.904 326 HB3 SER 44 1HB SER 44 -1.503 4.320 2.550 327 HG SER 44 HG SER 44 -0.863 6.087 0.426 328 H LYS 45 H LYS 45 0.790 3.650 4.491 329 HA LYS 45 HA LYS 45 2.054 1.184 3.604 330 HB2 LYS 45 2HB LYS 45 3.108 2.698 5.320 331 HB3 LYS 45 1HB LYS 45 1.779 2.299 6.394 332 HG2 LYS 45 2HG LYS 45 3.343 0.076 5.200 333 HG3 LYS 45 1HG LYS 45 4.067 1.019 6.505 334 HD2 LYS 45 2HD LYS 45 1.340 -0.247 6.659 335 HD3 LYS 45 1HD LYS 45 2.813 -1.000 7.248 336 HE2 LYS 45 2HE LYS 45 3.175 1.011 8.675 337 HE3 LYS 45 1HE LYS 45 1.582 1.573 8.184 338 HZ1 LYS 45 3HZ LYS 45 2.191 -0.925 9.667 339 HZ2 LYS 45 1HZ LYS 45 0.646 -0.471 9.127 340 HZ3 LYS 45 2HZ LYS 45 1.448 0.464 10.291 341 H ILE 46 H ILE 46 1.085 -0.745 3.827 342 HA ILE 46 HA ILE 46 -1.423 -0.970 5.313 343 HB ILE 46 HB ILE 46 -2.533 -2.042 3.334 344 HG12 ILE 46 2HG1 ILE 46 -0.271 -0.732 1.806 345 HG13 ILE 46 1HG1 ILE 46 -0.462 -2.467 2.046 346 HG21 ILE 46 1HG2 ILE 46 -1.819 0.875 3.034 347 HG22 ILE 46 2HG2 ILE 46 -3.128 0.218 4.018 348 HG23 ILE 46 3HG2 ILE 46 -3.184 0.069 2.261 349 HD11 ILE 46 3HD1 ILE 46 -1.194 -1.775 -0.162 350 HD12 ILE 46 1HD1 ILE 46 -2.367 -0.676 0.561 351 HD13 ILE 46 2HD1 ILE 46 -2.538 -2.416 0.784 352 H ASN 47 H ASN 47 -2.245 -3.269 5.204 353 HA ASN 47 HA ASN 47 -0.034 -5.195 4.914 354 HB2 ASN 47 2HB ASN 47 -0.862 -5.124 7.206 355 HB3 ASN 47 1HB ASN 47 -2.517 -5.326 6.650 356 HD21 ASN 47 1HD2 ASN 47 0.515 -6.893 7.279 357 HD22 ASN 47 2HD2 ASN 47 -0.066 -8.514 7.109 358 H TYR 48 H TYR 48 -0.195 -6.344 3.101 359 HA TYR 48 HA TYR 48 -2.859 -6.665 1.880 360 HB2 TYR 48 2HB TYR 48 -1.130 -5.302 0.622 361 HB3 TYR 48 1HB TYR 48 -0.187 -6.777 0.470 362 HD1 TYR 48 HD2 TYR 48 -3.435 -5.229 -0.441 363 HD2 TYR 48 HD1 TYR 48 -0.642 -8.315 -1.267 364 HE1 TYR 48 HE2 TYR 48 -4.708 -5.824 -2.453 365 HE2 TYR 48 HE1 TYR 48 -1.901 -8.928 -3.285 366 HH TYR 48 HH TYR 48 -4.328 -6.938 -4.598 367 H ASN 49 H ASN 49 -3.585 -8.618 2.469 368 HA ASN 49 HA ASN 49 -3.823 -10.876 2.443 369 HB2 ASN 49 2HB ASN 49 -3.090 -10.572 0.068 370 HB3 ASN 49 1HB ASN 49 -1.437 -10.876 0.581 371 HD21 ASN 49 1HD2 ASN 49 -4.268 -12.548 1.835 372 HD22 ASN 49 2HD2 ASN 49 -3.865 -14.094 1.165 373 H GLY 50 H GLY 50 -2.182 -9.588 4.441 374 HA2 GLY 50 2HA GLY 50 -1.395 -10.631 6.396 375 HA3 GLY 50 1HA GLY 50 -0.942 -12.035 5.444 376 H GLN 51 H GLN 51 0.240 -9.525 3.709 377 HA GLN 51 HA GLN 51 2.773 -9.550 5.207 378 HB2 GLN 51 2HB GLN 51 4.002 -9.594 3.145 379 HB3 GLN 51 1HB GLN 51 2.847 -10.914 3.133 380 HG2 GLN 51 2HG GLN 51 1.345 -9.482 1.744 381 HG3 GLN 51 1HG GLN 51 2.663 -8.319 1.637 382 HE21 GLN 51 1HE2 GLN 51 1.514 -11.450 0.653 383 HE22 GLN 51 2HE2 GLN 51 2.691 -11.709 -0.585 384 H THR 52 H THR 52 4.158 -7.692 4.868 385 HA THR 52 HA THR 52 2.683 -5.263 5.114 386 HB THR 52 HB THR 52 5.682 -5.542 4.841 387 HG1 THR 52 HG1 THR 52 5.685 -5.825 7.110 388 HG21 THR 52 3HG2 THR 52 3.980 -3.532 6.319 389 HG22 THR 52 1HG2 THR 52 4.762 -3.252 4.763 390 HG23 THR 52 2HG2 THR 52 5.740 -3.532 6.203 391 H GLY 53 H GLY 53 2.136 -3.862 3.554 392 HA2 GLY 53 2HA GLY 53 3.673 -3.915 1.042 393 HA3 GLY 53 1HA GLY 53 1.921 -4.030 1.007 394 H TYR 54 H TYR 54 3.191 -2.055 -0.359 395 HA TYR 54 HA TYR 54 2.305 0.314 1.125 396 HB2 TYR 54 2HB TYR 54 4.851 0.029 -0.479 397 HB3 TYR 54 1HB TYR 54 4.141 1.591 -0.095 398 HD1 TYR 54 HD2 TYR 54 5.843 -1.358 1.288 399 HD2 TYR 54 HD1 TYR 54 4.241 2.492 2.129 400 HE1 TYR 54 HE2 TYR 54 7.019 -1.345 3.447 401 HE2 TYR 54 HE1 TYR 54 5.409 2.514 4.293 402 HH TYR 54 HH TYR 54 6.452 1.143 5.841 403 H ILE 55 H ILE 55 1.332 1.896 -0.133 404 HA ILE 55 HA ILE 55 1.051 1.369 -3.003 405 HB ILE 55 HB ILE 55 -1.364 2.025 -2.865 406 HG12 ILE 55 2HG1 ILE 55 -1.752 1.143 -0.137 407 HG13 ILE 55 1HG1 ILE 55 -0.709 2.562 -0.189 408 HG21 ILE 55 1HG2 ILE 55 -2.147 -0.186 -2.166 409 HG22 ILE 55 2HG2 ILE 55 -0.572 -0.506 -1.441 410 HG23 ILE 55 3HG2 ILE 55 -0.712 -0.286 -3.186 411 HD11 ILE 55 3HD1 ILE 55 -3.017 3.208 0.077 412 HD12 ILE 55 1HD1 ILE 55 -3.459 2.332 -1.387 413 HD13 ILE 55 2HD1 ILE 55 -2.412 3.746 -1.489 414 H GLY 56 H GLY 56 -0.021 3.333 -4.083 415 HA2 GLY 56 2HA GLY 56 1.381 5.673 -3.001 416 HA3 GLY 56 1HA GLY 56 0.896 5.451 -4.678 417 H THR 57 H THR 57 0.389 7.730 -2.971 418 HA THR 57 HA THR 57 -2.467 7.647 -2.480 419 HB THR 57 HB THR 57 -0.599 10.033 -2.380 420 HG1 THR 57 HG1 THR 57 -1.356 9.100 0.036 421 HG21 THR 57 3HG2 THR 57 -3.003 10.593 -2.501 422 HG22 THR 57 1HG2 THR 57 -2.295 11.026 -0.945 423 HG23 THR 57 2HG2 THR 57 -3.295 9.579 -1.085 424 H ARG 58 H ARG 58 -0.282 8.447 -5.007 425 HA ARG 58 HA ARG 58 -2.171 10.087 -6.461 426 HB2 ARG 58 2HB ARG 58 0.614 9.110 -7.053 427 HB3 ARG 58 1HB ARG 58 -0.350 9.986 -8.225 428 HG2 ARG 58 2HG ARG 58 -0.486 11.889 -6.715 429 HG3 ARG 58 1HG ARG 58 0.467 11.005 -5.520 430 HD2 ARG 58 2HD ARG 58 2.359 10.945 -7.007 431 HD3 ARG 58 1HD ARG 58 1.412 11.681 -8.299 432 HE ARG 58 HE ARG 58 1.264 13.472 -6.236 433 HH11 ARG 58 1HH1 ARG 58 3.874 11.915 -7.967 434 HH12 ARG 58 2HH1 ARG 58 4.949 13.279 -7.851 435 HH21 ARG 58 1HH2 ARG 58 2.663 15.268 -6.058 436 HH22 ARG 58 2HH2 ARG 58 4.267 15.191 -6.729 437 H TYR 59 H TYR 59 -0.698 6.849 -6.710 438 HA TYR 59 HA TYR 59 -2.559 6.211 -8.866 439 HB2 TYR 59 2HB TYR 59 -0.251 4.723 -7.592 440 HB3 TYR 59 1HB TYR 59 -1.320 3.995 -8.782 441 HD1 TYR 59 HD2 TYR 59 0.812 7.032 -8.362 442 HD2 TYR 59 HD1 TYR 59 -0.667 4.041 -10.998 443 HE1 TYR 59 HE2 TYR 59 2.232 7.925 -10.162 444 HE2 TYR 59 HE1 TYR 59 0.744 4.922 -12.804 445 HH TYR 59 HH TYR 59 3.265 7.078 -12.290 446 H LEU 60 H LEU 60 -4.511 5.567 -8.246 447 HA LEU 60 HA LEU 60 -4.896 3.628 -6.157 448 HB2 LEU 60 2HB LEU 60 -5.610 6.508 -5.785 449 HB3 LEU 60 1HB LEU 60 -6.659 5.280 -5.107 450 HG LEU 60 HG LEU 60 -3.727 5.611 -4.466 451 HD11 LEU 60 1HD1 LEU 60 -5.114 7.436 -3.592 452 HD12 LEU 60 2HD1 LEU 60 -4.510 6.400 -2.297 453 HD13 LEU 60 3HD1 LEU 60 -6.184 6.256 -2.835 454 HD21 LEU 60 3HD2 LEU 60 -4.504 3.289 -4.303 455 HD22 LEU 60 1HD2 LEU 60 -5.828 3.809 -3.260 456 HD23 LEU 60 2HD2 LEU 60 -4.159 3.969 -2.712 457 H SER 61 H SER 61 -7.292 3.230 -5.853 458 HA SER 61 HA SER 61 -8.827 3.995 -8.240 459 HB2 SER 61 2HB SER 61 -8.324 1.532 -8.108 460 HB3 SER 61 1HB SER 61 -9.197 1.482 -6.578 461 HG SER 61 HG SER 61 -10.930 2.553 -8.030 462 H LYS 62 H LYS 62 -10.314 5.428 -7.719 463 HA LYS 62 HA LYS 62 -11.490 5.381 -5.016 464 HB2 LYS 62 2HB LYS 62 -10.078 7.394 -5.781 465 HB3 LYS 62 1HB LYS 62 -11.377 7.744 -6.907 466 HG2 LYS 62 2HG LYS 62 -11.828 9.145 -5.126 467 HG3 LYS 62 1HG LYS 62 -12.887 7.767 -4.821 468 HD2 LYS 62 2HD LYS 62 -11.360 6.889 -3.187 469 HD3 LYS 62 1HD LYS 62 -10.163 8.128 -3.578 470 HE2 LYS 62 2HE LYS 62 -11.794 9.856 -2.849 471 HE3 LYS 62 1HE LYS 62 -12.887 8.566 -2.356 472 HZ1 LYS 62 3HZ LYS 62 -11.617 9.468 -0.504 473 HZ2 LYS 62 1HZ LYS 62 -10.164 9.009 -1.249 474 HZ3 LYS 62 2HZ LYS 62 -11.272 7.825 -0.744 475 H LEU 63 H LEU 63 -13.618 7.220 -5.873 476 HA LEU 63 HA LEU 63 -15.391 5.310 -7.085 477 HB2 LEU 63 2HB LEU 63 -16.166 6.870 -5.338 478 HB3 LEU 63 1HB LEU 63 -15.817 8.224 -6.396 479 HG LEU 63 HG LEU 63 -17.538 7.368 -7.982 480 HD11 LEU 63 1HD1 LEU 63 -18.143 5.433 -5.753 481 HD12 LEU 63 2HD1 LEU 63 -17.482 5.021 -7.336 482 HD13 LEU 63 3HD1 LEU 63 -19.115 5.677 -7.205 483 HD21 LEU 63 3HD2 LEU 63 -18.470 7.919 -5.168 484 HD22 LEU 63 1HD2 LEU 63 -19.465 8.040 -6.619 485 HD23 LEU 63 2HD2 LEU 63 -18.089 9.122 -6.399 486 H GLU 64 H GLU 64 -14.436 8.626 -7.957 487 HA GLU 64 HA GLU 64 -14.332 9.742 -9.923 488 HB2 GLU 64 2HB GLU 64 -13.327 7.019 -10.655 489 HB3 GLU 64 1HB GLU 64 -13.599 8.198 -11.929 490 HG2 GLU 64 2HG GLU 64 -11.303 8.258 -11.280 491 HG3 GLU 64 1HG GLU 64 -12.080 9.752 -10.765 492 H HIS 65 H HIS 65 -14.991 9.486 -12.406 493 HA HIS 65 HA HIS 65 -17.554 8.052 -12.581 494 HB2 HIS 65 2HB HIS 65 -17.885 10.542 -12.340 495 HB3 HIS 65 1HB HIS 65 -17.018 10.744 -13.857 496 HD1 HIS 65 HD1 HIS 65 -18.687 11.295 -15.596 497 HD2 HIS 65 HD2 HIS 65 -20.075 8.366 -12.989 498 HE1 HIS 65 HE1 HIS 65 -20.936 10.601 -16.483 499 HE2 HIS 65 HE2 HIS 65 -21.672 8.706 -14.997 500 H HIS 66 H HIS 66 -16.788 6.346 -13.691 501 HA HIS 66 HA HIS 66 -15.623 6.855 -16.323 502 HB2 HIS 66 2HB HIS 66 -13.858 5.133 -15.916 503 HB3 HIS 66 1HB HIS 66 -13.658 6.595 -14.960 504 HD1 HIS 66 HD1 HIS 66 -13.449 3.064 -14.630 505 HD2 HIS 66 HD2 HIS 66 -14.877 6.134 -12.204 506 HE1 HIS 66 HE1 HIS 66 -13.488 2.129 -12.289 507 HE2 HIS 66 HE2 HIS 66 -14.222 4.048 -10.829 508 H HIS 67 H HIS 67 -16.393 5.569 -17.827 509 HA HIS 67 HA HIS 67 -18.395 3.617 -17.022 510 HB2 HIS 67 2HB HIS 67 -18.944 5.340 -18.703 511 HB3 HIS 67 1HB HIS 67 -17.687 4.707 -19.756 512 HD1 HIS 67 HD1 HIS 67 -18.433 3.084 -21.438 513 HD2 HIS 67 HD2 HIS 67 -21.065 3.308 -18.224 514 HE1 HIS 67 HE1 HIS 67 -20.369 1.592 -22.038 515 HE2 HIS 67 HE2 HIS 67 -22.052 1.954 -20.197 516 H HIS 68 H HIS 68 -17.980 1.501 -16.925 517 HA HIS 68 HA HIS 68 -15.578 0.300 -17.796 518 HB2 HIS 68 2HB HIS 68 -18.254 -0.845 -17.024 519 HB3 HIS 68 1HB HIS 68 -16.942 -1.879 -17.574 520 HD1 HIS 68 HD1 HIS 68 -14.836 -2.041 -16.017 521 HD2 HIS 68 HD2 HIS 68 -18.058 0.047 -14.418 522 HE1 HIS 68 HE1 HIS 68 -14.380 -1.872 -13.552 523 HE2 HIS 68 HE2 HIS 68 -16.492 -0.893 -12.589 524 H HIS 69 H HIS 69 -14.978 -0.679 -19.663 525 HA HIS 69 HA HIS 69 -16.695 -0.174 -21.960 526 HB2 HIS 69 2HB HIS 69 -13.831 -1.153 -21.822 527 HB3 HIS 69 1HB HIS 69 -14.704 -0.787 -23.305 528 HD1 HIS 69 HD1 HIS 69 -15.538 1.824 -23.469 529 HD2 HIS 69 HD2 HIS 69 -12.483 0.950 -20.782 530 HE1 HIS 69 HE1 HIS 69 -14.432 4.025 -22.956 531 HE2 HIS 69 HE2 HIS 69 -12.478 3.443 -21.476 532 H HIS 70 H HIS 70 -17.444 -1.724 -23.344 533 HA HIS 70 HA HIS 70 -18.299 -3.704 -24.023 534 HB2 HIS 70 2HB HIS 70 -15.893 -4.492 -23.851 535 HB3 HIS 70 1HB HIS 70 -16.291 -5.112 -22.254 536 HD1 HIS 70 HD1 HIS 70 -16.325 -5.997 -25.772 537 HD2 HIS 70 HD2 HIS 70 -18.369 -7.200 -22.356 538 HE1 HIS 70 HE1 HIS 70 -17.393 -8.199 -26.356 539 HE2 HIS 70 HE2 HIS 70 -18.811 -8.777 -24.357 Start of MODEL 14 1 H1 MET 1 1H MET 1 15.668 -3.818 -6.684 2 H2 MET 1 2H MET 1 17.169 -4.030 -5.923 3 H3 MET 1 3H MET 1 17.099 -3.628 -7.571 4 HA MET 1 HA MET 1 16.094 -1.905 -5.391 5 HB2 MET 1 2HB MET 1 18.532 -2.162 -5.247 6 HB3 MET 1 1HB MET 1 18.688 -1.717 -6.941 7 HG2 MET 1 2HG MET 1 17.765 0.498 -6.426 8 HG3 MET 1 1HG MET 1 17.665 0.047 -4.724 9 HE1 MET 1 3HE MET 1 19.047 2.209 -4.085 10 HE2 MET 1 1HE MET 1 19.192 2.664 -5.781 11 HE3 MET 1 2HE MET 1 20.629 2.604 -4.759 12 H ILE 2 H ILE 2 14.243 -1.382 -6.546 13 HA ILE 2 HA ILE 2 14.728 0.489 -8.731 14 HB ILE 2 HB ILE 2 12.558 -0.511 -9.829 15 HG12 ILE 2 2HG1 ILE 2 12.761 -3.068 -9.754 16 HG13 ILE 2 1HG1 ILE 2 13.675 -2.836 -8.270 17 HG21 ILE 2 1HG2 ILE 2 13.962 -1.833 -11.337 18 HG22 ILE 2 2HG2 ILE 2 15.285 -1.746 -10.174 19 HG23 ILE 2 3HG2 ILE 2 14.693 -0.276 -10.949 20 HD11 ILE 2 3HD1 ILE 2 11.748 -1.708 -7.279 21 HD12 ILE 2 1HD1 ILE 2 11.373 -3.353 -7.791 22 HD13 ILE 2 2HD1 ILE 2 10.837 -1.982 -8.764 23 H GLY 3 H GLY 3 13.706 0.315 -5.815 24 HA2 GLY 3 2HA GLY 3 11.022 1.370 -6.007 25 HA3 GLY 3 1HA GLY 3 11.978 1.203 -4.544 26 H ASP 4 H ASP 4 13.770 2.749 -6.885 27 HA ASP 4 HA ASP 4 13.623 5.239 -5.433 28 HB2 ASP 4 2HB ASP 4 15.784 4.297 -6.111 29 HB3 ASP 4 1HB ASP 4 15.315 4.415 -7.801 30 H TYR 5 H TYR 5 11.892 3.958 -7.948 31 HA TYR 5 HA TYR 5 11.585 6.432 -9.434 32 HB2 TYR 5 2HB TYR 5 10.179 3.771 -9.734 33 HB3 TYR 5 1HB TYR 5 9.977 5.147 -10.814 34 HD1 TYR 5 HD2 TYR 5 12.023 5.972 -12.093 35 HD2 TYR 5 HD1 TYR 5 11.923 2.237 -10.055 36 HE1 TYR 5 HE2 TYR 5 13.929 5.191 -13.438 37 HE2 TYR 5 HE1 TYR 5 13.826 1.450 -11.392 38 HH TYR 5 HH TYR 5 15.781 3.473 -13.180 39 H TYR 6 H TYR 6 9.722 4.472 -7.171 40 HA TYR 6 HA TYR 6 7.880 4.887 -5.902 41 HB2 TYR 6 2HB TYR 6 8.506 7.803 -6.424 42 HB3 TYR 6 1HB TYR 6 7.513 7.165 -5.120 43 HD1 TYR 6 HD2 TYR 6 8.636 5.737 -3.343 44 HD2 TYR 6 HD1 TYR 6 10.824 8.033 -6.174 45 HE1 TYR 6 HE2 TYR 6 10.618 5.629 -1.891 46 HE2 TYR 6 HE1 TYR 6 12.811 7.935 -4.732 47 HH TYR 6 HH TYR 6 12.993 5.846 -1.997 48 H ILE 7 H ILE 7 7.497 4.635 -8.838 49 HA ILE 7 HA ILE 7 5.284 6.507 -9.299 50 HB ILE 7 HB ILE 7 6.795 4.815 -11.295 51 HG12 ILE 7 2HG1 ILE 7 6.806 7.807 -10.814 52 HG13 ILE 7 1HG1 ILE 7 8.093 6.699 -10.351 53 HG21 ILE 7 1HG2 ILE 7 4.476 5.144 -11.975 54 HG22 ILE 7 2HG2 ILE 7 5.564 6.083 -12.999 55 HG23 ILE 7 3HG2 ILE 7 4.637 6.885 -11.730 56 HD11 ILE 7 3HD1 ILE 7 8.659 7.888 -12.387 57 HD12 ILE 7 1HD1 ILE 7 7.192 7.291 -13.163 58 HD13 ILE 7 2HD1 ILE 7 8.469 6.164 -12.708 59 H ASN 8 H ASN 8 3.355 5.767 -8.787 60 HA ASN 8 HA ASN 8 2.644 2.980 -9.251 61 HB2 ASN 8 2HB ASN 8 1.482 5.261 -7.729 62 HB3 ASN 8 1HB ASN 8 0.351 4.088 -8.392 63 HD21 ASN 8 1HD2 ASN 8 -0.248 3.523 -6.290 64 HD22 ASN 8 2HD2 ASN 8 0.748 2.494 -5.327 65 H ALA 9 H ALA 9 2.593 2.859 -11.503 66 HA ALA 9 HA ALA 9 0.218 3.908 -12.732 67 HB1 ALA 9 3HB ALA 9 1.296 5.133 -14.524 68 HB2 ALA 9 1HB ALA 9 2.884 4.793 -13.832 69 HB3 ALA 9 2HB ALA 9 1.743 5.821 -12.963 70 H SER 10 H SER 10 -0.147 1.664 -12.889 71 HA SER 10 HA SER 10 0.822 0.537 -15.368 72 HB2 SER 10 2HB SER 10 1.214 -1.030 -12.802 73 HB3 SER 10 1HB SER 10 1.665 -1.532 -14.429 74 HG SER 10 HG SER 10 2.888 0.710 -14.152 75 H ALA 11 H ALA 11 -1.665 1.486 -14.084 76 HA ALA 11 HA ALA 11 -3.864 0.975 -13.955 77 HB1 ALA 11 3HB ALA 11 -4.759 -0.991 -15.055 78 HB2 ALA 11 1HB ALA 11 -3.138 -1.682 -15.181 79 HB3 ALA 11 2HB ALA 11 -3.545 -0.217 -16.072 80 H LEU 12 H LEU 12 -1.511 -0.657 -12.292 81 HA LEU 12 HA LEU 12 -3.383 -2.101 -10.575 82 HB2 LEU 12 2HB LEU 12 -0.370 -1.979 -10.390 83 HB3 LEU 12 1HB LEU 12 -1.431 -3.089 -9.545 84 HG LEU 12 HG LEU 12 -0.908 -3.045 -12.516 85 HD11 LEU 12 1HD1 LEU 12 -0.101 -4.987 -10.364 86 HD12 LEU 12 2HD1 LEU 12 0.966 -3.910 -11.267 87 HD13 LEU 12 3HD1 LEU 12 0.133 -5.225 -12.096 88 HD21 LEU 12 3HD2 LEU 12 -2.251 -5.078 -12.594 89 HD22 LEU 12 1HD2 LEU 12 -3.202 -3.706 -12.030 90 HD23 LEU 12 2HD2 LEU 12 -2.619 -4.907 -10.880 91 H ASN 13 H ASN 13 -3.994 -1.301 -8.642 92 HA ASN 13 HA ASN 13 -2.853 1.307 -7.904 93 HB2 ASN 13 2HB ASN 13 -5.573 0.136 -7.272 94 HB3 ASN 13 1HB ASN 13 -4.999 1.701 -6.711 95 HD21 ASN 13 1HD2 ASN 13 -6.575 2.881 -7.753 96 HD22 ASN 13 2HD2 ASN 13 -6.668 3.033 -9.474 97 H VAL 14 H VAL 14 -3.893 -1.791 -6.558 98 HA VAL 14 HA VAL 14 -2.968 -1.082 -3.898 99 HB VAL 14 HB VAL 14 -3.911 -3.809 -4.789 100 HG11 VAL 14 1HG1 VAL 14 -4.619 -3.999 -2.433 101 HG12 VAL 14 2HG1 VAL 14 -3.941 -2.402 -2.119 102 HG13 VAL 14 3HG1 VAL 14 -2.883 -3.731 -2.593 103 HG21 VAL 14 3HG2 VAL 14 -5.610 -1.487 -3.883 104 HG22 VAL 14 1HG2 VAL 14 -6.178 -3.141 -4.105 105 HG23 VAL 14 2HG2 VAL 14 -5.602 -2.212 -5.489 106 H ARG 15 H ARG 15 -0.913 -0.788 -5.438 107 HA ARG 15 HA ARG 15 0.625 -2.744 -6.507 108 HB2 ARG 15 2HB ARG 15 1.666 -0.408 -4.898 109 HB3 ARG 15 1HB ARG 15 2.535 -1.280 -6.152 110 HG2 ARG 15 2HG ARG 15 -0.060 0.074 -6.748 111 HG3 ARG 15 1HG ARG 15 1.455 0.975 -6.734 112 HD2 ARG 15 2HD ARG 15 1.575 -1.518 -8.248 113 HD3 ARG 15 1HD ARG 15 0.410 -0.357 -8.884 114 HE ARG 15 HE ARG 15 2.731 1.064 -8.401 115 HH11 ARG 15 1HH1 ARG 15 1.894 -1.736 -10.323 116 HH12 ARG 15 2HH1 ARG 15 2.998 -1.347 -11.603 117 HH21 ARG 15 1HH2 ARG 15 4.209 1.572 -10.095 118 HH22 ARG 15 2HH2 ARG 15 4.297 0.528 -11.478 119 H SER 16 H SER 16 1.511 -1.474 -3.286 120 HA SER 16 HA SER 16 2.550 -2.443 -1.500 121 HB2 SER 16 2HB SER 16 1.302 -5.058 -2.333 122 HB3 SER 16 1HB SER 16 1.627 -4.467 -0.704 123 HG SER 16 HG SER 16 -0.457 -3.830 -2.460 124 H GLY 17 H GLY 17 4.069 -2.265 -3.832 125 HA2 GLY 17 2HA GLY 17 5.183 -4.857 -4.476 126 HA3 GLY 17 1HA GLY 17 5.598 -3.327 -5.226 127 H GLU 18 H GLU 18 7.536 -5.097 -4.696 128 HA GLU 18 HA GLU 18 8.858 -4.671 -2.213 129 HB2 GLU 18 2HB GLU 18 10.262 -5.413 -4.768 130 HB3 GLU 18 1HB GLU 18 10.639 -5.912 -3.128 131 HG2 GLU 18 2HG GLU 18 9.706 -7.838 -3.850 132 HG3 GLU 18 1HG GLU 18 8.232 -7.023 -3.332 133 H GLY 19 H GLY 19 9.118 -3.291 -5.442 134 HA2 GLY 19 2HA GLY 19 10.576 -1.010 -4.269 135 HA3 GLY 19 1HA GLY 19 10.983 -1.665 -5.848 136 H THR 20 H THR 20 8.999 -1.795 -7.371 137 HA THR 20 HA THR 20 7.345 0.594 -6.979 138 HB THR 20 HB THR 20 7.300 0.640 -9.558 139 HG1 THR 20 HG1 THR 20 9.022 -0.329 -10.554 140 HG21 THR 20 3HG2 THR 20 8.306 2.390 -8.197 141 HG22 THR 20 1HG2 THR 20 9.308 2.056 -9.610 142 HG23 THR 20 2HG2 THR 20 9.778 1.432 -8.028 143 H ASN 21 H ASN 21 7.333 -2.690 -7.254 144 HA ASN 21 HA ASN 21 5.667 -4.226 -7.348 145 HB2 ASN 21 2HB ASN 21 4.063 -2.896 -6.260 146 HB3 ASN 21 1HB ASN 21 3.932 -1.784 -7.620 147 HD21 ASN 21 1HD2 ASN 21 3.002 -4.886 -6.355 148 HD22 ASN 21 2HD2 ASN 21 1.739 -5.192 -7.502 149 H TYR 22 H TYR 22 5.609 -5.583 -8.949 150 HA TYR 22 HA TYR 22 4.751 -4.599 -11.580 151 HB2 TYR 22 2HB TYR 22 7.092 -6.354 -10.900 152 HB3 TYR 22 1HB TYR 22 6.309 -6.482 -12.471 153 HD1 TYR 22 HD2 TYR 22 7.924 -3.971 -10.200 154 HD2 TYR 22 HD1 TYR 22 6.934 -5.078 -14.195 155 HE1 TYR 22 HE2 TYR 22 9.279 -2.107 -11.056 156 HE2 TYR 22 HE1 TYR 22 8.282 -3.217 -15.050 157 HH TYR 22 HH TYR 22 9.141 -1.035 -14.258 158 H ARG 23 H ARG 23 5.357 -7.665 -9.815 159 HA ARG 23 HA ARG 23 2.874 -8.666 -11.041 160 HB2 ARG 23 2HB ARG 23 5.394 -10.196 -10.427 161 HB3 ARG 23 1HB ARG 23 3.890 -10.927 -10.967 162 HG2 ARG 23 2HG ARG 23 4.018 -9.583 -13.035 163 HG3 ARG 23 1HG ARG 23 5.584 -8.966 -12.500 164 HD2 ARG 23 2HD ARG 23 5.861 -10.810 -14.065 165 HD3 ARG 23 1HD ARG 23 6.466 -11.246 -12.467 166 HE ARG 23 HE ARG 23 4.023 -12.242 -12.319 167 HH11 ARG 23 1HH1 ARG 23 6.263 -12.354 -15.006 168 HH12 ARG 23 2HH1 ARG 23 5.687 -13.888 -15.591 169 HH21 ARG 23 1HH2 ARG 23 3.264 -14.243 -13.065 170 HH22 ARG 23 2HH2 ARG 23 3.989 -14.973 -14.469 171 H ILE 24 H ILE 24 4.333 -7.978 -8.065 172 HA ILE 24 HA ILE 24 3.592 -10.249 -6.590 173 HB ILE 24 HB ILE 24 5.252 -8.802 -5.670 174 HG12 ILE 24 2HG1 ILE 24 2.771 -8.657 -3.942 175 HG13 ILE 24 1HG1 ILE 24 3.826 -10.059 -4.082 176 HG21 ILE 24 1HG2 ILE 24 3.138 -6.666 -5.467 177 HG22 ILE 24 2HG2 ILE 24 4.490 -6.683 -6.597 178 HG23 ILE 24 3HG2 ILE 24 4.790 -6.548 -4.865 179 HD11 ILE 24 3HD1 ILE 24 4.603 -7.364 -2.994 180 HD12 ILE 24 1HD1 ILE 24 5.665 -8.763 -3.138 181 HD13 ILE 24 2HD1 ILE 24 4.279 -8.817 -2.051 182 H ILE 25 H ILE 25 1.927 -7.076 -6.701 183 HA ILE 25 HA ILE 25 -0.600 -8.492 -6.275 184 HB ILE 25 HB ILE 25 0.175 -6.017 -4.705 185 HG12 ILE 25 2HG1 ILE 25 -0.394 -8.758 -3.608 186 HG13 ILE 25 1HG1 ILE 25 1.236 -8.220 -3.999 187 HG21 ILE 25 1HG2 ILE 25 -1.948 -6.347 -3.548 188 HG22 ILE 25 2HG2 ILE 25 -2.329 -7.669 -4.651 189 HG23 ILE 25 3HG2 ILE 25 -2.169 -6.023 -5.268 190 HD11 ILE 25 3HD1 ILE 25 -0.620 -6.942 -2.000 191 HD12 ILE 25 1HD1 ILE 25 1.007 -6.386 -2.400 192 HD13 ILE 25 2HD1 ILE 25 0.776 -7.959 -1.636 193 H GLY 26 H GLY 26 -2.480 -7.188 -6.999 194 HA2 GLY 26 2HA GLY 26 -1.638 -5.248 -9.060 195 HA3 GLY 26 1HA GLY 26 -2.897 -6.444 -9.331 196 H ALA 27 H ALA 27 -4.909 -5.767 -9.119 197 HA ALA 27 HA ALA 27 -5.408 -3.500 -7.300 198 HB1 ALA 27 3HB ALA 27 -6.843 -4.060 -9.889 199 HB2 ALA 27 1HB ALA 27 -5.594 -2.838 -9.658 200 HB3 ALA 27 2HB ALA 27 -7.127 -2.703 -8.797 201 H LEU 28 H LEU 28 -6.042 -4.726 -5.580 202 HA LEU 28 HA LEU 28 -8.755 -5.746 -5.771 203 HB2 LEU 28 2HB LEU 28 -7.299 -7.732 -6.069 204 HB3 LEU 28 1HB LEU 28 -6.527 -7.373 -4.538 205 HG LEU 28 HG LEU 28 -8.681 -7.729 -3.380 206 HD11 LEU 28 1HD1 LEU 28 -9.651 -8.585 -6.102 207 HD12 LEU 28 2HD1 LEU 28 -10.188 -7.162 -5.208 208 HD13 LEU 28 3HD1 LEU 28 -10.530 -8.776 -4.585 209 HD21 LEU 28 3HD2 LEU 28 -8.746 -10.158 -3.649 210 HD22 LEU 28 1HD2 LEU 28 -7.088 -9.561 -3.569 211 HD23 LEU 28 2HD2 LEU 28 -7.788 -10.020 -5.122 212 HA PRO 29 HA PRO 29 -8.010 -3.299 -2.010 213 HB2 PRO 29 2HB PRO 29 -9.863 -1.397 -2.473 214 HB3 PRO 29 1HB PRO 29 -8.271 -1.378 -3.235 215 HG2 PRO 29 2HG PRO 29 -10.901 -1.968 -4.409 216 HG3 PRO 29 1HG PRO 29 -9.404 -1.456 -5.204 217 HD2 PRO 29 2HD PRO 29 -10.502 -4.111 -4.992 218 HD3 PRO 29 1HD PRO 29 -9.030 -3.590 -5.835 219 H GLN 30 H GLN 30 -10.736 -5.011 -3.149 220 HA GLN 30 HA GLN 30 -12.275 -4.437 -0.741 221 HB2 GLN 30 2HB GLN 30 -14.060 -5.814 -1.841 222 HB3 GLN 30 1HB GLN 30 -13.609 -4.356 -2.708 223 HG2 GLN 30 2HG GLN 30 -12.298 -5.654 -4.271 224 HG3 GLN 30 1HG GLN 30 -12.650 -7.130 -3.370 225 HE21 GLN 30 1HE2 GLN 30 -13.933 -4.681 -5.477 226 HE22 GLN 30 2HE2 GLN 30 -15.373 -5.532 -5.918 227 H GLY 31 H GLY 31 -11.299 -5.474 0.882 228 HA2 GLY 31 2HA GLY 31 -11.690 -8.347 0.960 229 HA3 GLY 31 1HA GLY 31 -10.019 -7.812 1.101 230 H GLN 32 H GLN 32 -11.709 -9.188 3.050 231 HA GLN 32 HA GLN 32 -12.513 -7.351 5.065 232 HB2 GLN 32 2HB GLN 32 -13.428 -9.608 4.939 233 HB3 GLN 32 1HB GLN 32 -11.836 -10.292 5.227 234 HG2 GLN 32 2HG GLN 32 -11.811 -9.358 7.460 235 HG3 GLN 32 1HG GLN 32 -13.367 -8.582 7.173 236 HE21 GLN 32 1HE2 GLN 32 -11.731 -11.608 7.746 237 HE22 GLN 32 2HE2 GLN 32 -13.159 -12.528 8.097 238 H LYS 33 H LYS 33 -9.500 -8.726 4.144 239 HA LYS 33 HA LYS 33 -8.225 -7.586 6.544 240 HB2 LYS 33 2HB LYS 33 -8.241 -10.155 6.263 241 HB3 LYS 33 1HB LYS 33 -7.103 -9.885 4.952 242 HG2 LYS 33 2HG LYS 33 -5.538 -8.857 6.471 243 HG3 LYS 33 1HG LYS 33 -6.693 -9.002 7.798 244 HD2 LYS 33 2HD LYS 33 -6.643 -11.461 7.505 245 HD3 LYS 33 1HD LYS 33 -5.397 -11.256 6.274 246 HE2 LYS 33 2HE LYS 33 -3.927 -10.226 7.919 247 HE3 LYS 33 1HE LYS 33 -5.181 -10.379 9.148 248 HZ1 LYS 33 3HZ LYS 33 -3.820 -12.617 7.745 249 HZ2 LYS 33 1HZ LYS 33 -5.074 -12.793 8.872 250 HZ3 LYS 33 2HZ LYS 33 -3.580 -12.148 9.354 251 H VAL 34 H VAL 34 -8.868 -6.508 3.819 252 HA VAL 34 HA VAL 34 -6.151 -5.667 3.090 253 HB VAL 34 HB VAL 34 -8.285 -6.444 1.088 254 HG11 VAL 34 1HG1 VAL 34 -6.561 -5.978 -0.604 255 HG12 VAL 34 2HG1 VAL 34 -5.492 -5.383 0.665 256 HG13 VAL 34 3HG1 VAL 34 -6.999 -4.537 0.315 257 HG21 VAL 34 3HG2 VAL 34 -7.233 -8.403 2.071 258 HG22 VAL 34 1HG2 VAL 34 -5.636 -7.740 1.724 259 HG23 VAL 34 2HG2 VAL 34 -6.706 -8.197 0.401 260 H GLN 35 H GLN 35 -6.193 -3.576 3.672 261 HA GLN 35 HA GLN 35 -7.724 -1.766 2.098 262 HB2 GLN 35 2HB GLN 35 -9.394 -2.387 3.873 263 HB3 GLN 35 1HB GLN 35 -8.294 -1.714 5.071 264 HG2 GLN 35 2HG GLN 35 -8.443 0.470 3.943 265 HG3 GLN 35 1HG GLN 35 -9.598 -0.217 2.805 266 HE21 GLN 35 1HE2 GLN 35 -11.682 -0.684 3.503 267 HE22 GLN 35 2HE2 GLN 35 -12.323 -0.033 4.972 268 H VAL 36 H VAL 36 -7.032 0.441 2.406 269 HA VAL 36 HA VAL 36 -4.300 0.694 3.212 270 HB VAL 36 HB VAL 36 -6.281 2.862 2.477 271 HG11 VAL 36 1HG1 VAL 36 -4.348 3.730 3.681 272 HG12 VAL 36 2HG1 VAL 36 -4.296 4.212 1.986 273 HG13 VAL 36 3HG1 VAL 36 -3.267 2.902 2.559 274 HG21 VAL 36 3HG2 VAL 36 -6.038 1.235 0.679 275 HG22 VAL 36 1HG2 VAL 36 -4.283 1.400 0.753 276 HG23 VAL 36 2HG2 VAL 36 -5.276 2.765 0.244 277 H ILE 37 H ILE 37 -3.550 1.193 5.183 278 HA ILE 37 HA ILE 37 -5.480 1.797 7.271 279 HB ILE 37 HB ILE 37 -2.497 1.358 7.522 280 HG12 ILE 37 2HG1 ILE 37 -4.345 -0.702 8.507 281 HG13 ILE 37 1HG1 ILE 37 -4.347 -0.512 6.757 282 HG21 ILE 37 1HG2 ILE 37 -2.961 1.001 9.887 283 HG22 ILE 37 2HG2 ILE 37 -4.674 1.318 9.610 284 HG23 ILE 37 3HG2 ILE 37 -3.493 2.609 9.386 285 HD11 ILE 37 3HD1 ILE 37 -1.949 -1.076 8.482 286 HD12 ILE 37 1HD1 ILE 37 -1.922 -0.851 6.733 287 HD13 ILE 37 2HD1 ILE 37 -2.781 -2.223 7.431 288 H SER 38 H SER 38 -2.377 3.176 6.154 289 HA SER 38 HA SER 38 -3.400 5.852 6.732 290 HB2 SER 38 2HB SER 38 -0.718 4.922 7.790 291 HB3 SER 38 1HB SER 38 -1.495 6.479 8.075 292 HG SER 38 HG SER 38 -2.477 5.606 9.702 293 H GLU 39 H GLU 39 -2.061 7.536 5.786 294 HA GLU 39 HA GLU 39 -0.385 6.543 3.592 295 HB2 GLU 39 2HB GLU 39 -1.332 8.322 2.153 296 HB3 GLU 39 1HB GLU 39 -2.516 7.115 2.619 297 HG2 GLU 39 2HG GLU 39 -3.451 8.595 4.250 298 HG3 GLU 39 1HG GLU 39 -2.195 9.792 3.954 299 H ASN 40 H ASN 40 1.399 7.710 3.125 300 HA ASN 40 HA ASN 40 1.917 10.100 4.765 301 HB2 ASN 40 2HB ASN 40 3.981 8.357 3.404 302 HB3 ASN 40 1HB ASN 40 4.279 9.659 4.543 303 HD21 ASN 40 1HD2 ASN 40 3.371 6.364 4.144 304 HD22 ASN 40 2HD2 ASN 40 3.443 5.920 5.823 305 H SER 41 H SER 41 3.545 11.595 3.568 306 HA SER 41 HA SER 41 2.403 12.293 1.043 307 HB2 SER 41 2HB SER 41 3.426 13.858 2.828 308 HB3 SER 41 1HB SER 41 4.980 13.413 2.126 309 HG SER 41 HG SER 41 4.542 14.532 0.372 310 H GLY 42 H GLY 42 2.885 10.067 0.207 311 HA2 GLY 42 2HA GLY 42 4.596 9.974 -1.872 312 HA3 GLY 42 1HA GLY 42 5.629 9.500 -0.529 313 H TRP 43 H TRP 43 4.857 7.679 0.814 314 HA TRP 43 HA TRP 43 3.296 5.769 -0.795 315 HB2 TRP 43 2HB TRP 43 5.795 5.393 0.810 316 HB3 TRP 43 1HB TRP 43 4.674 4.047 0.639 317 HD1 TRP 43 HD1 TRP 43 4.718 6.102 -2.456 318 HE1 TRP 43 HE1 TRP 43 6.123 4.942 -4.271 319 HE3 TRP 43 HE3 TRP 43 6.991 2.550 0.429 320 HZ2 TRP 43 HZ2 TRP 43 7.950 2.794 -4.465 321 HZ3 TRP 43 HZ3 TRP 43 8.556 0.982 -0.646 322 HH2 TRP 43 HH2 TRP 43 9.024 1.106 -3.038 323 H SER 44 H SER 44 1.820 4.488 0.232 324 HA SER 44 HA SER 44 0.968 5.419 2.882 325 HB2 SER 44 2HB SER 44 -0.543 3.811 0.807 326 HB3 SER 44 1HB SER 44 -1.209 4.481 2.296 327 HG SER 44 HG SER 44 -0.199 5.901 0.057 328 H LYS 45 H LYS 45 0.780 4.053 4.583 329 HA LYS 45 HA LYS 45 2.124 1.525 4.517 330 HB2 LYS 45 2HB LYS 45 2.437 3.103 6.337 331 HB3 LYS 45 1HB LYS 45 0.712 3.133 6.652 332 HG2 LYS 45 2HG LYS 45 1.636 1.829 8.328 333 HG3 LYS 45 1HG LYS 45 0.915 0.679 7.208 334 HD2 LYS 45 2HD LYS 45 3.743 1.388 6.758 335 HD3 LYS 45 1HD LYS 45 3.382 0.447 8.193 336 HE2 LYS 45 2HE LYS 45 2.010 -1.035 6.576 337 HE3 LYS 45 1HE LYS 45 2.976 -0.259 5.325 338 HZ1 LYS 45 3HZ LYS 45 3.953 -2.354 6.086 339 HZ2 LYS 45 1HZ LYS 45 4.079 -1.740 7.659 340 HZ3 LYS 45 2HZ LYS 45 4.984 -1.044 6.404 341 H ILE 46 H ILE 46 1.056 -0.288 3.904 342 HA ILE 46 HA ILE 46 -1.744 -0.580 4.750 343 HB ILE 46 HB ILE 46 -2.205 -1.787 2.594 344 HG12 ILE 46 2HG1 ILE 46 0.380 -0.470 1.746 345 HG13 ILE 46 1HG1 ILE 46 0.119 -2.201 1.934 346 HG21 ILE 46 1HG2 ILE 46 -3.012 0.475 2.988 347 HG22 ILE 46 2HG2 ILE 46 -2.553 0.269 1.297 348 HG23 ILE 46 3HG2 ILE 46 -1.487 1.138 2.400 349 HD11 ILE 46 3HD1 ILE 46 0.039 -1.544 -0.396 350 HD12 ILE 46 1HD1 ILE 46 -1.265 -0.409 -0.045 351 HD13 ILE 46 2HD1 ILE 46 -1.533 -2.143 0.139 352 H ASN 47 H ASN 47 -2.500 -2.839 4.567 353 HA ASN 47 HA ASN 47 -0.355 -4.825 4.855 354 HB2 ASN 47 2HB ASN 47 -1.259 -4.209 7.099 355 HB3 ASN 47 1HB ASN 47 -2.865 -4.679 6.554 356 HD21 ASN 47 1HD2 ASN 47 0.253 -5.766 7.562 357 HD22 ASN 47 2HD2 ASN 47 -0.151 -7.442 7.709 358 H TYR 48 H TYR 48 -0.620 -6.256 3.258 359 HA TYR 48 HA TYR 48 -3.288 -6.493 2.064 360 HB2 TYR 48 2HB TYR 48 -1.288 -5.854 0.641 361 HB3 TYR 48 1HB TYR 48 -0.684 -7.487 0.899 362 HD1 TYR 48 HD2 TYR 48 -3.502 -5.557 -0.524 363 HD2 TYR 48 HD1 TYR 48 -1.462 -9.280 -0.430 364 HE1 TYR 48 HE2 TYR 48 -4.850 -6.334 -2.422 365 HE2 TYR 48 HE1 TYR 48 -2.802 -10.069 -2.330 366 HH TYR 48 HH TYR 48 -4.773 -7.962 -4.179 367 H ASN 49 H ASN 49 -4.176 -7.893 3.575 368 HA ASN 49 HA ASN 49 -4.798 -9.903 4.414 369 HB2 ASN 49 2HB ASN 49 -4.801 -10.396 1.900 370 HB3 ASN 49 1HB ASN 49 -3.257 -11.202 2.161 371 HD21 ASN 49 1HD2 ASN 49 -6.675 -11.296 2.712 372 HD22 ASN 49 2HD2 ASN 49 -6.761 -12.934 3.271 373 H GLY 50 H GLY 50 -2.620 -8.804 5.661 374 HA2 GLY 50 2HA GLY 50 -1.550 -9.726 7.548 375 HA3 GLY 50 1HA GLY 50 -1.510 -11.282 6.740 376 H GLN 51 H GLN 51 -0.423 -9.277 4.416 377 HA GLN 51 HA GLN 51 2.354 -9.625 5.337 378 HB2 GLN 51 2HB GLN 51 3.051 -9.989 3.087 379 HB3 GLN 51 1HB GLN 51 1.674 -11.038 3.387 380 HG2 GLN 51 2HG GLN 51 0.256 -9.265 2.285 381 HG3 GLN 51 1HG GLN 51 1.766 -8.512 1.776 382 HE21 GLN 51 1HE2 GLN 51 1.376 -8.842 -0.397 383 HE22 GLN 51 2HE2 GLN 51 1.424 -10.411 -1.134 384 H THR 52 H THR 52 3.924 -8.121 4.372 385 HA THR 52 HA THR 52 3.117 -5.459 4.973 386 HB THR 52 HB THR 52 5.745 -6.486 3.880 387 HG1 THR 52 HG1 THR 52 4.686 -6.240 6.510 388 HG21 THR 52 3HG2 THR 52 5.051 -3.903 5.291 389 HG22 THR 52 1HG2 THR 52 5.551 -4.079 3.611 390 HG23 THR 52 2HG2 THR 52 6.686 -4.443 4.911 391 H GLY 53 H GLY 53 2.899 -3.679 3.637 392 HA2 GLY 53 2HA GLY 53 3.711 -3.811 0.873 393 HA3 GLY 53 1HA GLY 53 1.968 -3.817 1.098 394 H TYR 54 H TYR 54 3.601 -1.835 -0.207 395 HA TYR 54 HA TYR 54 2.465 0.462 1.202 396 HB2 TYR 54 2HB TYR 54 5.281 0.358 0.096 397 HB3 TYR 54 1HB TYR 54 4.459 1.843 0.543 398 HD1 TYR 54 HD1 TYR 54 3.637 1.989 3.036 399 HD2 TYR 54 HD2 TYR 54 6.600 -0.741 1.637 400 HE1 TYR 54 HE1 TYR 54 4.516 1.780 5.306 401 HE2 TYR 54 HE2 TYR 54 7.472 -0.961 3.928 402 HH TYR 54 HH TYR 54 7.483 0.417 6.035 403 H ILE 55 H ILE 55 1.671 2.046 -0.207 404 HA ILE 55 HA ILE 55 2.104 1.574 -3.075 405 HB ILE 55 HB ILE 55 -0.251 2.230 -3.535 406 HG12 ILE 55 2HG1 ILE 55 -1.713 1.609 -1.340 407 HG13 ILE 55 1HG1 ILE 55 -0.330 2.387 -0.580 408 HG21 ILE 55 1HG2 ILE 55 0.362 -0.085 -3.622 409 HG22 ILE 55 2HG2 ILE 55 -1.246 0.063 -2.912 410 HG23 ILE 55 3HG2 ILE 55 0.148 -0.247 -1.878 411 HD11 ILE 55 3HD1 ILE 55 -2.119 3.586 -2.683 412 HD12 ILE 55 1HD1 ILE 55 -0.703 4.369 -1.980 413 HD13 ILE 55 2HD1 ILE 55 -2.094 3.985 -0.965 414 H GLY 56 H GLY 56 2.246 3.402 -4.355 415 HA2 GLY 56 2HA GLY 56 2.851 5.872 -3.101 416 HA3 GLY 56 1HA GLY 56 2.620 5.621 -4.828 417 H THR 57 H THR 57 1.557 7.451 -2.448 418 HA THR 57 HA THR 57 -1.204 7.179 -2.276 419 HB THR 57 HB THR 57 0.172 9.855 -2.235 420 HG1 THR 57 HG1 THR 57 0.447 9.139 0.120 421 HG21 THR 57 3HG2 THR 57 -2.255 9.827 -1.908 422 HG22 THR 57 1HG2 THR 57 -1.424 10.290 -0.423 423 HG23 THR 57 2HG2 THR 57 -2.068 8.655 -0.601 424 H ARG 58 H ARG 58 0.725 8.416 -4.867 425 HA ARG 58 HA ARG 58 -1.033 10.063 -6.238 426 HB2 ARG 58 2HB ARG 58 1.102 8.156 -7.183 427 HB3 ARG 58 1HB ARG 58 0.230 9.211 -8.282 428 HG2 ARG 58 2HG ARG 58 1.100 11.149 -7.286 429 HG3 ARG 58 1HG ARG 58 1.699 10.252 -5.889 430 HD2 ARG 58 2HD ARG 58 3.244 9.039 -7.447 431 HD3 ARG 58 1HD ARG 58 2.733 10.152 -8.719 432 HE ARG 58 HE ARG 58 3.510 11.825 -6.762 433 HH11 ARG 58 1HH1 ARG 58 5.081 9.076 -8.257 434 HH12 ARG 58 2HH1 ARG 58 6.683 9.688 -7.997 435 HH21 ARG 58 1HH2 ARG 58 5.611 12.601 -6.363 436 HH22 ARG 58 2HH2 ARG 58 6.985 11.687 -6.914 437 H TYR 59 H TYR 59 -0.954 6.566 -5.996 438 HA TYR 59 HA TYR 59 -3.311 6.457 -7.755 439 HB2 TYR 59 2HB TYR 59 -0.741 5.272 -8.167 440 HB3 TYR 59 1HB TYR 59 -1.921 3.994 -7.948 441 HD1 TYR 59 HD2 TYR 59 -1.573 7.225 -9.777 442 HD2 TYR 59 HD1 TYR 59 -2.992 3.216 -9.832 443 HE1 TYR 59 HE2 TYR 59 -2.264 7.516 -12.111 444 HE2 TYR 59 HE1 TYR 59 -3.691 3.487 -12.172 445 HH TYR 59 HH TYR 59 -4.296 5.287 -13.718 446 H LEU 60 H LEU 60 -4.998 5.734 -6.701 447 HA LEU 60 HA LEU 60 -4.732 3.482 -4.855 448 HB2 LEU 60 2HB LEU 60 -4.894 6.089 -3.909 449 HB3 LEU 60 1HB LEU 60 -6.563 5.559 -3.879 450 HG LEU 60 HG LEU 60 -4.306 4.086 -2.519 451 HD11 LEU 60 1HD1 LEU 60 -6.329 6.004 -1.370 452 HD12 LEU 60 2HD1 LEU 60 -4.596 6.287 -1.526 453 HD13 LEU 60 3HD1 LEU 60 -5.190 5.031 -0.440 454 HD21 LEU 60 3HD2 LEU 60 -6.224 2.682 -3.072 455 HD22 LEU 60 1HD2 LEU 60 -7.305 3.832 -2.284 456 HD23 LEU 60 2HD2 LEU 60 -6.114 2.944 -1.331 457 H SER 61 H SER 61 -6.833 2.468 -4.460 458 HA SER 61 HA SER 61 -8.530 2.765 -6.816 459 HB2 SER 61 2HB SER 61 -7.560 0.528 -6.417 460 HB3 SER 61 1HB SER 61 -8.354 0.473 -4.844 461 HG SER 61 HG SER 61 -10.313 0.333 -5.819 462 H LYS 62 H LYS 62 -10.655 3.127 -6.672 463 HA LYS 62 HA LYS 62 -11.708 4.392 -4.368 464 HB2 LYS 62 2HB LYS 62 -13.057 3.372 -6.876 465 HB3 LYS 62 1HB LYS 62 -13.869 4.320 -5.638 466 HG2 LYS 62 2HG LYS 62 -11.472 5.256 -7.196 467 HG3 LYS 62 1HG LYS 62 -13.145 5.630 -7.613 468 HD2 LYS 62 2HD LYS 62 -13.408 6.667 -5.363 469 HD3 LYS 62 1HD LYS 62 -11.682 6.408 -5.092 470 HE2 LYS 62 2HE LYS 62 -12.151 8.693 -5.848 471 HE3 LYS 62 1HE LYS 62 -11.147 7.813 -6.998 472 HZ1 LYS 62 3HZ LYS 62 -14.092 8.150 -7.253 473 HZ2 LYS 62 1HZ LYS 62 -13.048 7.450 -8.393 474 HZ3 LYS 62 2HZ LYS 62 -12.944 9.106 -8.057 475 H LEU 63 H LEU 63 -12.951 3.624 -2.762 476 HA LEU 63 HA LEU 63 -13.640 0.766 -2.801 477 HB2 LEU 63 2HB LEU 63 -13.582 2.738 -0.507 478 HB3 LEU 63 1HB LEU 63 -14.036 1.050 -0.369 479 HG LEU 63 HG LEU 63 -11.307 2.052 -1.190 480 HD11 LEU 63 1HD1 LEU 63 -10.586 1.205 0.992 481 HD12 LEU 63 2HD1 LEU 63 -12.264 0.849 1.402 482 HD13 LEU 63 3HD1 LEU 63 -11.754 2.519 1.148 483 HD21 LEU 63 3HD2 LEU 63 -12.301 -0.737 -0.617 484 HD22 LEU 63 1HD2 LEU 63 -10.628 -0.282 -0.951 485 HD23 LEU 63 2HD2 LEU 63 -11.861 -0.095 -2.199 486 H GLU 64 H GLU 64 -14.932 3.947 -1.997 487 HA GLU 64 HA GLU 64 -17.037 4.785 -1.873 488 HB2 GLU 64 2HB GLU 64 -17.236 3.180 -4.423 489 HB3 GLU 64 1HB GLU 64 -18.379 4.424 -3.933 490 HG2 GLU 64 2HG GLU 64 -16.526 6.064 -3.930 491 HG3 GLU 64 1HG GLU 64 -15.458 4.803 -4.547 492 H HIS 65 H HIS 65 -17.670 3.690 0.042 493 HA HIS 65 HA HIS 65 -18.966 1.179 0.029 494 HB2 HIS 65 2HB HIS 65 -18.046 2.444 2.060 495 HB3 HIS 65 1HB HIS 65 -19.545 3.370 2.026 496 HD1 HIS 65 HD1 HIS 65 -18.234 -0.105 2.631 497 HD2 HIS 65 HD2 HIS 65 -21.776 2.044 3.009 498 HE1 HIS 65 HE1 HIS 65 -19.784 -1.579 3.951 499 HE2 HIS 65 HE2 HIS 65 -21.987 -0.363 3.951 500 H HIS 66 H HIS 66 -20.970 0.596 -0.508 501 HA HIS 66 HA HIS 66 -22.957 2.671 -1.089 502 HB2 HIS 66 2HB HIS 66 -21.571 2.286 -3.132 503 HB3 HIS 66 1HB HIS 66 -22.061 0.597 -3.107 504 HD1 HIS 66 HD1 HIS 66 -24.298 0.019 -4.136 505 HD2 HIS 66 HD2 HIS 66 -23.659 4.115 -3.787 506 HE1 HIS 66 HE1 HIS 66 -26.149 1.113 -5.449 507 HE2 HIS 66 HE2 HIS 66 -25.643 3.583 -5.352 508 H HIS 67 H HIS 67 -25.089 1.942 -1.032 509 HA HIS 67 HA HIS 67 -25.420 -0.823 -0.074 510 HB2 HIS 67 2HB HIS 67 -27.094 1.652 0.329 511 HB3 HIS 67 1HB HIS 67 -27.690 0.041 0.701 512 HD1 HIS 67 HD1 HIS 67 -27.814 1.521 3.086 513 HD2 HIS 67 HD2 HIS 67 -24.137 0.017 1.840 514 HE1 HIS 67 HE1 HIS 67 -26.360 1.478 5.141 515 HE2 HIS 67 HE2 HIS 67 -24.164 0.515 4.389 516 H HIS 68 H HIS 68 -26.421 -2.238 -1.323 517 HA HIS 68 HA HIS 68 -27.983 -1.249 -3.618 518 HB2 HIS 68 2HB HIS 68 -25.994 -2.703 -4.112 519 HB3 HIS 68 1HB HIS 68 -26.770 -3.998 -3.209 520 HD1 HIS 68 HD1 HIS 68 -27.713 -5.653 -4.756 521 HD2 HIS 68 HD2 HIS 68 -28.040 -1.786 -6.260 522 HE1 HIS 68 HE1 HIS 68 -28.868 -5.882 -6.982 523 HE2 HIS 68 HE2 HIS 68 -29.161 -3.523 -7.822 524 H HIS 69 H HIS 69 -30.129 -1.794 -3.774 525 HA HIS 69 HA HIS 69 -31.446 -2.741 -1.461 526 HB2 HIS 69 2HB HIS 69 -33.490 -2.507 -2.632 527 HB3 HIS 69 1HB HIS 69 -32.449 -1.234 -3.255 528 HD1 HIS 69 HD1 HIS 69 -34.050 -4.498 -4.241 529 HD2 HIS 69 HD2 HIS 69 -31.843 -1.416 -5.969 530 HE1 HIS 69 HE1 HIS 69 -34.215 -4.849 -6.724 531 HE2 HIS 69 HE2 HIS 69 -32.996 -2.898 -7.752 532 H HIS 70 H HIS 70 -32.683 -4.636 -1.154 533 HA HIS 70 HA HIS 70 -31.456 -7.019 -2.173 534 HB2 HIS 70 2HB HIS 70 -33.190 -8.205 -0.830 535 HB3 HIS 70 1HB HIS 70 -32.258 -7.043 0.103 536 HD1 HIS 70 HD1 HIS 70 -33.527 -5.286 1.339 537 HD2 HIS 70 HD2 HIS 70 -35.889 -7.288 -1.442 538 HE1 HIS 70 HE1 HIS 70 -35.883 -4.517 1.765 539 HE2 HIS 70 HE2 HIS 70 -37.309 -5.806 0.140 Start of MODEL 15 1 H1 MET 1 1H MET 1 11.122 21.302 -4.798 2 H2 MET 1 2H MET 1 11.588 22.634 -3.863 3 H3 MET 1 3H MET 1 11.255 22.828 -5.515 4 HA MET 1 HA MET 1 9.270 21.954 -3.504 5 HB2 MET 1 2HB MET 1 9.689 24.690 -4.732 6 HB3 MET 1 1HB MET 1 8.281 24.225 -3.792 7 HG2 MET 1 2HG MET 1 9.687 25.433 -2.342 8 HG3 MET 1 1HG MET 1 9.834 23.737 -1.885 9 HE1 MET 1 3HE MET 1 11.480 25.616 -4.954 10 HE2 MET 1 1HE MET 1 13.025 26.087 -4.248 11 HE3 MET 1 2HE MET 1 11.527 26.793 -3.640 12 H ILE 2 H ILE 2 8.303 20.426 -4.795 13 HA ILE 2 HA ILE 2 6.781 21.505 -7.021 14 HB ILE 2 HB ILE 2 8.694 20.711 -8.221 15 HG12 ILE 2 2HG1 ILE 2 6.455 18.689 -8.419 16 HG13 ILE 2 1HG1 ILE 2 6.505 20.253 -9.226 17 HG21 ILE 2 1HG2 ILE 2 9.649 19.245 -6.535 18 HG22 ILE 2 2HG2 ILE 2 9.509 18.408 -8.082 19 HG23 ILE 2 3HG2 ILE 2 8.352 18.082 -6.792 20 HD11 ILE 2 3HD1 ILE 2 8.388 17.953 -9.702 21 HD12 ILE 2 1HD1 ILE 2 8.456 19.523 -10.500 22 HD13 ILE 2 2HD1 ILE 2 7.069 18.465 -10.757 23 H GLY 3 H GLY 3 4.796 21.075 -6.439 24 HA2 GLY 3 2HA GLY 3 4.143 18.308 -5.615 25 HA3 GLY 3 1HA GLY 3 3.355 19.712 -4.903 26 H ASP 4 H ASP 4 4.180 19.911 -8.186 27 HA ASP 4 HA ASP 4 1.431 20.270 -8.949 28 HB2 ASP 4 2HB ASP 4 3.947 20.296 -10.635 29 HB3 ASP 4 1HB ASP 4 2.369 20.897 -11.127 30 H TYR 5 H TYR 5 1.825 17.648 -8.111 31 HA TYR 5 HA TYR 5 2.323 15.956 -10.400 32 HB2 TYR 5 2HB TYR 5 1.488 15.354 -7.562 33 HB3 TYR 5 1HB TYR 5 1.689 14.111 -8.791 34 HD1 TYR 5 HD2 TYR 5 3.914 13.593 -9.679 35 HD2 TYR 5 HD1 TYR 5 3.386 16.418 -6.543 36 HE1 TYR 5 HE2 TYR 5 6.312 13.452 -9.160 37 HE2 TYR 5 HE1 TYR 5 5.784 16.291 -6.019 38 HH TYR 5 HH TYR 5 8.045 14.813 -8.091 39 H TYR 6 H TYR 6 -0.468 16.672 -8.313 40 HA TYR 6 HA TYR 6 -2.680 16.263 -8.488 41 HB2 TYR 6 2HB TYR 6 -2.032 16.520 -11.425 42 HB3 TYR 6 1HB TYR 6 -3.675 16.296 -10.826 43 HD1 TYR 6 HD1 TYR 6 -4.144 17.962 -8.702 44 HD2 TYR 6 HD2 TYR 6 -1.506 18.707 -11.954 45 HE1 TYR 6 HE1 TYR 6 -4.348 20.373 -8.302 46 HE2 TYR 6 HE2 TYR 6 -1.705 21.129 -11.564 47 HH TYR 6 HH TYR 6 -3.067 22.420 -8.730 48 H ILE 7 H ILE 7 -3.207 14.379 -7.695 49 HA ILE 7 HA ILE 7 -2.275 11.967 -9.080 50 HB ILE 7 HB ILE 7 -2.289 10.837 -6.936 51 HG12 ILE 7 2HG1 ILE 7 -4.215 12.216 -5.976 52 HG13 ILE 7 1HG1 ILE 7 -2.907 11.824 -4.869 53 HG21 ILE 7 1HG2 ILE 7 -0.862 13.487 -6.815 54 HG22 ILE 7 2HG2 ILE 7 -0.274 12.007 -7.575 55 HG23 ILE 7 3HG2 ILE 7 -0.492 12.076 -5.826 56 HD11 ILE 7 3HD1 ILE 7 -3.337 14.463 -6.254 57 HD12 ILE 7 1HD1 ILE 7 -1.997 14.081 -5.172 58 HD13 ILE 7 2HD1 ILE 7 -3.649 14.105 -4.556 59 H ASN 8 H ASN 8 -3.686 10.085 -7.737 60 HA ASN 8 HA ASN 8 -5.505 8.809 -7.814 61 HB2 ASN 8 2HB ASN 8 -7.562 9.587 -6.961 62 HB3 ASN 8 1HB ASN 8 -6.308 10.499 -6.141 63 HD21 ASN 8 1HD2 ASN 8 -6.302 12.673 -6.273 64 HD22 ASN 8 2HD2 ASN 8 -7.476 13.599 -7.136 65 H ALA 9 H ALA 9 -6.584 7.754 -9.256 66 HA ALA 9 HA ALA 9 -8.168 8.932 -11.303 67 HB1 ALA 9 3HB ALA 9 -5.592 7.624 -12.191 68 HB2 ALA 9 1HB ALA 9 -5.965 9.345 -12.309 69 HB3 ALA 9 2HB ALA 9 -6.893 8.176 -13.247 70 H SER 10 H SER 10 -6.238 6.033 -11.757 71 HA SER 10 HA SER 10 -7.847 4.233 -10.330 72 HB2 SER 10 2HB SER 10 -9.417 4.900 -12.250 73 HB3 SER 10 1HB SER 10 -8.301 4.041 -13.312 74 HG SER 10 HG SER 10 -9.031 2.195 -12.599 75 H ALA 11 H ALA 11 -7.187 1.998 -10.741 76 HA ALA 11 HA ALA 11 -5.671 0.353 -11.071 77 HB1 ALA 11 3HB ALA 11 -6.013 0.880 -13.445 78 HB2 ALA 11 1HB ALA 11 -4.373 0.319 -13.111 79 HB3 ALA 11 2HB ALA 11 -4.684 2.036 -13.365 80 H LEU 12 H LEU 12 -3.346 -0.211 -11.035 81 HA LEU 12 HA LEU 12 -1.209 -0.045 -10.293 82 HB2 LEU 12 2HB LEU 12 -1.488 2.824 -11.181 83 HB3 LEU 12 1HB LEU 12 0.022 1.979 -10.902 84 HG LEU 12 HG LEU 12 -1.992 1.312 -13.055 85 HD11 LEU 12 1HD1 LEU 12 -0.292 2.139 -14.594 86 HD12 LEU 12 2HD1 LEU 12 0.738 2.583 -13.233 87 HD13 LEU 12 3HD1 LEU 12 -0.803 3.405 -13.478 88 HD21 LEU 12 3HD2 LEU 12 0.730 0.150 -12.473 89 HD22 LEU 12 1HD2 LEU 12 -0.277 -0.230 -13.872 90 HD23 LEU 12 2HD2 LEU 12 -0.818 -0.665 -12.250 91 H ASN 13 H ASN 13 -3.299 0.486 -8.301 92 HA ASN 13 HA ASN 13 -1.932 2.455 -6.591 93 HB2 ASN 13 2HB ASN 13 -4.233 3.077 -7.086 94 HB3 ASN 13 1HB ASN 13 -4.801 1.512 -6.518 95 HD21 ASN 13 1HD2 ASN 13 -6.085 2.284 -4.905 96 HD22 ASN 13 2HD2 ASN 13 -5.468 3.076 -3.497 97 H VAL 14 H VAL 14 -3.863 -0.494 -6.291 98 HA VAL 14 HA VAL 14 -2.769 -1.000 -3.656 99 HB VAL 14 HB VAL 14 -4.673 -2.799 -5.151 100 HG11 VAL 14 1HG1 VAL 14 -5.456 -3.356 -2.891 101 HG12 VAL 14 2HG1 VAL 14 -4.244 -2.269 -2.210 102 HG13 VAL 14 3HG1 VAL 14 -3.739 -3.707 -3.098 103 HG21 VAL 14 3HG2 VAL 14 -5.389 -0.376 -3.502 104 HG22 VAL 14 1HG2 VAL 14 -6.527 -1.550 -4.168 105 HG23 VAL 14 2HG2 VAL 14 -5.575 -0.532 -5.249 106 H ARG 15 H ARG 15 -0.709 -1.117 -5.344 107 HA ARG 15 HA ARG 15 -0.288 -3.722 -6.494 108 HB2 ARG 15 2HB ARG 15 1.455 -1.304 -6.105 109 HB3 ARG 15 1HB ARG 15 2.088 -2.803 -6.759 110 HG2 ARG 15 2HG ARG 15 -0.223 -1.320 -7.971 111 HG3 ARG 15 1HG ARG 15 1.461 -1.068 -8.440 112 HD2 ARG 15 2HD ARG 15 1.355 -3.731 -8.635 113 HD3 ARG 15 1HD ARG 15 -0.339 -3.362 -8.955 114 HE ARG 15 HE ARG 15 1.440 -1.735 -10.497 115 HH11 ARG 15 1HH1 ARG 15 -0.063 -4.888 -10.319 116 HH12 ARG 15 2HH1 ARG 15 0.051 -5.191 -12.029 117 HH21 ARG 15 1HH2 ARG 15 1.666 -2.144 -12.732 118 HH22 ARG 15 2HH2 ARG 15 1.051 -3.628 -13.399 119 H SER 16 H SER 16 -0.348 -2.887 -3.347 120 HA SER 16 HA SER 16 0.693 -3.478 -1.407 121 HB2 SER 16 2HB SER 16 0.561 -5.811 -2.443 122 HB3 SER 16 1HB SER 16 2.219 -5.565 -2.988 123 HG SER 16 HG SER 16 2.883 -5.434 -0.872 124 H GLY 17 H GLY 17 1.604 -1.547 -3.240 125 HA2 GLY 17 2HA GLY 17 3.860 -0.426 -2.298 126 HA3 GLY 17 1HA GLY 17 4.470 -1.582 -3.489 127 H GLU 18 H GLU 18 5.105 0.708 -4.434 128 HA GLU 18 HA GLU 18 2.875 1.496 -6.188 129 HB2 GLU 18 2HB GLU 18 3.847 3.345 -4.866 130 HB3 GLU 18 1HB GLU 18 5.413 3.029 -5.598 131 HG2 GLU 18 2HG GLU 18 4.533 3.597 -7.786 132 HG3 GLU 18 1HG GLU 18 2.934 3.856 -7.090 133 H GLY 19 H GLY 19 6.395 1.728 -6.554 134 HA2 GLY 19 2HA GLY 19 6.130 0.086 -8.993 135 HA3 GLY 19 1HA GLY 19 7.344 1.344 -8.777 136 H THR 20 H THR 20 7.204 0.080 -5.862 137 HA THR 20 HA THR 20 9.668 -1.298 -6.102 138 HB THR 20 HB THR 20 8.127 -1.664 -3.625 139 HG1 THR 20 HG1 THR 20 8.944 0.970 -4.354 140 HG21 THR 20 3HG2 THR 20 10.539 -2.086 -3.763 141 HG22 THR 20 1HG2 THR 20 10.197 -0.767 -2.646 142 HG23 THR 20 2HG2 THR 20 10.808 -0.415 -4.262 143 H ASN 21 H ASN 21 6.318 -2.295 -5.555 144 HA ASN 21 HA ASN 21 7.022 -5.001 -6.391 145 HB2 ASN 21 2HB ASN 21 6.968 -4.914 -3.857 146 HB3 ASN 21 1HB ASN 21 5.263 -4.493 -3.979 147 HD21 ASN 21 1HD2 ASN 21 6.523 -6.816 -2.741 148 HD22 ASN 21 2HD2 ASN 21 5.850 -8.201 -3.530 149 H TYR 22 H TYR 22 5.583 -5.781 -7.795 150 HA TYR 22 HA TYR 22 2.971 -4.448 -8.032 151 HB2 TYR 22 2HB TYR 22 3.210 -4.589 -10.503 152 HB3 TYR 22 1HB TYR 22 4.414 -3.541 -9.764 153 HD1 TYR 22 HD1 TYR 22 3.861 -6.742 -11.480 154 HD2 TYR 22 HD2 TYR 22 6.767 -4.133 -9.788 155 HE1 TYR 22 HE1 TYR 22 5.644 -8.010 -12.598 156 HE2 TYR 22 HE2 TYR 22 8.556 -5.398 -10.901 157 HH TYR 22 HH TYR 22 8.932 -7.659 -11.823 158 H ARG 23 H ARG 23 4.200 -7.159 -7.066 159 HA ARG 23 HA ARG 23 3.391 -9.033 -9.096 160 HB2 ARG 23 2HB ARG 23 4.534 -9.423 -6.333 161 HB3 ARG 23 1HB ARG 23 4.190 -10.735 -7.450 162 HG2 ARG 23 2HG ARG 23 5.767 -9.713 -9.066 163 HG3 ARG 23 1HG ARG 23 6.173 -8.505 -7.843 164 HD2 ARG 23 2HD ARG 23 7.807 -10.319 -7.872 165 HD3 ARG 23 1HD ARG 23 6.935 -10.269 -6.340 166 HE ARG 23 HE ARG 23 5.511 -12.056 -7.795 167 HH11 ARG 23 1HH1 ARG 23 8.922 -11.791 -6.998 168 HH12 ARG 23 2HH1 ARG 23 9.185 -13.510 -7.081 169 HH21 ARG 23 1HH2 ARG 23 5.894 -14.318 -7.902 170 HH22 ARG 23 2HH2 ARG 23 7.498 -14.919 -7.586 171 H ILE 24 H ILE 24 2.219 -8.248 -5.810 172 HA ILE 24 HA ILE 24 0.553 -10.591 -5.817 173 HB ILE 24 HB ILE 24 0.412 -8.363 -3.790 174 HG12 ILE 24 2HG1 ILE 24 1.910 -10.085 -2.481 175 HG13 ILE 24 1HG1 ILE 24 2.391 -10.591 -4.096 176 HG21 ILE 24 1HG2 ILE 24 -0.267 -11.297 -3.649 177 HG22 ILE 24 2HG2 ILE 24 -1.418 -9.962 -3.717 178 HG23 ILE 24 3HG2 ILE 24 -0.371 -10.155 -2.310 179 HD11 ILE 24 3HD1 ILE 24 3.196 -8.371 -4.583 180 HD12 ILE 24 1HD1 ILE 24 3.940 -8.976 -3.105 181 HD13 ILE 24 2HD1 ILE 24 2.632 -7.795 -3.014 182 H ILE 25 H ILE 25 -0.199 -7.091 -5.660 183 HA ILE 25 HA ILE 25 -2.803 -7.740 -6.856 184 HB ILE 25 HB ILE 25 -2.636 -5.534 -4.816 185 HG12 ILE 25 2HG1 ILE 25 -3.729 -7.432 -3.285 186 HG13 ILE 25 1HG1 ILE 25 -2.645 -8.449 -4.231 187 HG21 ILE 25 1HG2 ILE 25 -4.882 -7.335 -5.712 188 HG22 ILE 25 2HG2 ILE 25 -4.612 -5.667 -6.219 189 HG23 ILE 25 3HG2 ILE 25 -5.015 -6.024 -4.539 190 HD11 ILE 25 3HD1 ILE 25 -1.851 -6.057 -2.586 191 HD12 ILE 25 1HD1 ILE 25 -0.759 -7.045 -3.556 192 HD13 ILE 25 2HD1 ILE 25 -1.590 -7.751 -2.170 193 H GLY 26 H GLY 26 -3.842 -5.792 -7.863 194 HA2 GLY 26 2HA GLY 26 -1.800 -3.871 -8.807 195 HA3 GLY 26 1HA GLY 26 -3.060 -4.515 -9.850 196 H ALA 27 H ALA 27 -5.345 -4.123 -8.987 197 HA ALA 27 HA ALA 27 -5.611 -1.743 -7.326 198 HB1 ALA 27 3HB ALA 27 -5.321 -0.840 -9.598 199 HB2 ALA 27 1HB ALA 27 -6.930 -0.512 -8.954 200 HB3 ALA 27 2HB ALA 27 -6.700 -1.792 -10.145 201 H LEU 28 H LEU 28 -6.747 -2.999 -5.862 202 HA LEU 28 HA LEU 28 -9.521 -3.404 -6.495 203 HB2 LEU 28 2HB LEU 28 -8.514 -5.542 -7.241 204 HB3 LEU 28 1HB LEU 28 -7.848 -5.772 -5.636 205 HG LEU 28 HG LEU 28 -10.131 -5.893 -4.712 206 HD11 LEU 28 1HD1 LEU 28 -12.038 -6.103 -6.215 207 HD12 LEU 28 2HD1 LEU 28 -10.995 -5.750 -7.593 208 HD13 LEU 28 3HD1 LEU 28 -11.277 -4.519 -6.363 209 HD21 LEU 28 3HD2 LEU 28 -10.718 -8.077 -5.655 210 HD22 LEU 28 1HD2 LEU 28 -8.989 -7.944 -5.329 211 HD23 LEU 28 2HD2 LEU 28 -9.589 -7.799 -6.981 212 HA PRO 29 HA PRO 29 -9.033 -2.440 -2.084 213 HB2 PRO 29 2HB PRO 29 -9.790 0.098 -2.149 214 HB3 PRO 29 1HB PRO 29 -8.210 -0.369 -2.784 215 HG2 PRO 29 2HG PRO 29 -10.649 0.464 -4.238 216 HG3 PRO 29 1HG PRO 29 -8.953 0.567 -4.739 217 HD2 PRO 29 2HD PRO 29 -10.906 -1.481 -5.377 218 HD3 PRO 29 1HD PRO 29 -9.242 -1.312 -5.978 219 H GLN 30 H GLN 30 -10.752 -1.005 -0.724 220 HA GLN 30 HA GLN 30 -12.829 -0.412 -0.058 221 HB2 GLN 30 2HB GLN 30 -13.130 -0.033 -2.617 222 HB3 GLN 30 1HB GLN 30 -14.074 -1.511 -2.555 223 HG2 GLN 30 2HG GLN 30 -14.653 0.869 -0.818 224 HG3 GLN 30 1HG GLN 30 -15.356 0.651 -2.418 225 HE21 GLN 30 1HE2 GLN 30 -16.841 -1.033 -2.745 226 HE22 GLN 30 2HE2 GLN 30 -17.663 -1.788 -1.423 227 H GLY 31 H GLY 31 -13.292 -1.634 1.622 228 HA2 GLY 31 2HA GLY 31 -14.746 -3.033 2.744 229 HA3 GLY 31 1HA GLY 31 -15.245 -3.706 1.202 230 H GLN 32 H GLN 32 -14.434 -5.593 0.540 231 HA GLN 32 HA GLN 32 -13.255 -7.309 2.459 232 HB2 GLN 32 2HB GLN 32 -13.693 -7.659 -0.511 233 HB3 GLN 32 1HB GLN 32 -13.176 -8.946 0.570 234 HG2 GLN 32 2HG GLN 32 -15.247 -8.824 1.787 235 HG3 GLN 32 1HG GLN 32 -15.750 -7.415 0.856 236 HE21 GLN 32 1HE2 GLN 32 -16.457 -7.672 -1.245 237 HE22 GLN 32 2HE2 GLN 32 -16.863 -9.223 -1.912 238 H LYS 33 H LYS 33 -11.954 -5.071 0.327 239 HA LYS 33 HA LYS 33 -9.256 -6.158 0.748 240 HB2 LYS 33 2HB LYS 33 -10.390 -4.789 -1.694 241 HB3 LYS 33 1HB LYS 33 -8.664 -4.979 -1.421 242 HG2 LYS 33 2HG LYS 33 -10.606 -7.276 -1.563 243 HG3 LYS 33 1HG LYS 33 -9.674 -6.678 -2.937 244 HD2 LYS 33 2HD LYS 33 -7.593 -7.127 -1.677 245 HD3 LYS 33 1HD LYS 33 -8.560 -7.799 -0.364 246 HE2 LYS 33 2HE LYS 33 -8.588 -8.841 -3.191 247 HE3 LYS 33 1HE LYS 33 -7.575 -9.500 -1.905 248 HZ1 LYS 33 3HZ LYS 33 -9.566 -10.798 -2.121 249 HZ2 LYS 33 1HZ LYS 33 -10.548 -9.421 -1.948 250 HZ3 LYS 33 2HZ LYS 33 -9.608 -9.968 -0.642 251 H VAL 34 H VAL 34 -7.775 -4.694 1.548 252 HA VAL 34 HA VAL 34 -8.880 -2.241 2.579 253 HB VAL 34 HB VAL 34 -6.688 -1.898 3.661 254 HG11 VAL 34 1HG1 VAL 34 -7.839 -4.658 4.046 255 HG12 VAL 34 2HG1 VAL 34 -8.418 -3.175 4.802 256 HG13 VAL 34 3HG1 VAL 34 -6.816 -3.796 5.195 257 HG21 VAL 34 3HG2 VAL 34 -4.985 -3.650 3.559 258 HG22 VAL 34 1HG2 VAL 34 -5.261 -2.921 1.977 259 HG23 VAL 34 2HG2 VAL 34 -5.941 -4.506 2.348 260 H GLN 35 H GLN 35 -8.085 -0.153 2.190 261 HA GLN 35 HA GLN 35 -6.768 0.132 -0.429 262 HB2 GLN 35 2HB GLN 35 -8.252 2.095 -0.825 263 HB3 GLN 35 1HB GLN 35 -9.101 0.558 -0.761 264 HG2 GLN 35 2HG GLN 35 -9.649 1.087 1.635 265 HG3 GLN 35 1HG GLN 35 -9.004 2.700 1.341 266 HE21 GLN 35 1HE2 GLN 35 -10.978 3.670 1.729 267 HE22 GLN 35 2HE2 GLN 35 -12.301 3.568 0.616 268 H VAL 36 H VAL 36 -7.259 1.453 2.788 269 HA VAL 36 HA VAL 36 -4.757 2.820 2.705 270 HB VAL 36 HB VAL 36 -5.960 4.457 1.408 271 HG11 VAL 36 1HG1 VAL 36 -8.243 3.885 2.008 272 HG12 VAL 36 2HG1 VAL 36 -7.955 5.607 2.262 273 HG13 VAL 36 3HG1 VAL 36 -7.988 4.505 3.639 274 HG21 VAL 36 3HG2 VAL 36 -4.386 5.337 3.035 275 HG22 VAL 36 1HG2 VAL 36 -5.662 5.404 4.251 276 HG23 VAL 36 2HG2 VAL 36 -5.750 6.435 2.822 277 H ILE 37 H ILE 37 -3.976 2.713 4.716 278 HA ILE 37 HA ILE 37 -5.903 2.829 6.942 279 HB ILE 37 HB ILE 37 -3.156 1.563 6.967 280 HG12 ILE 37 2HG1 ILE 37 -5.538 -0.090 7.488 281 HG13 ILE 37 1HG1 ILE 37 -5.425 0.527 5.844 282 HG21 ILE 37 1HG2 ILE 37 -3.718 2.478 9.131 283 HG22 ILE 37 2HG2 ILE 37 -3.824 0.719 9.186 284 HG23 ILE 37 3HG2 ILE 37 -5.294 1.689 9.093 285 HD11 ILE 37 3HD1 ILE 37 -4.425 -1.675 6.032 286 HD12 ILE 37 1HD1 ILE 37 -3.319 -1.075 7.268 287 HD13 ILE 37 2HD1 ILE 37 -3.213 -0.462 5.618 288 H SER 38 H SER 38 -2.497 3.642 6.193 289 HA SER 38 HA SER 38 -2.897 6.312 7.222 290 HB2 SER 38 2HB SER 38 -2.399 5.107 9.289 291 HB3 SER 38 1HB SER 38 -0.942 4.434 8.572 292 HG SER 38 HG SER 38 -1.291 7.224 8.665 293 H GLU 39 H GLU 39 -1.213 7.720 6.693 294 HA GLU 39 HA GLU 39 0.284 6.748 4.352 295 HB2 GLU 39 2HB GLU 39 -0.671 9.533 5.048 296 HB3 GLU 39 1HB GLU 39 0.323 9.146 3.659 297 HG2 GLU 39 2HG GLU 39 -1.819 9.301 2.789 298 HG3 GLU 39 1HG GLU 39 -1.557 7.567 2.967 299 H ASN 40 H ASN 40 2.447 7.264 4.085 300 HA ASN 40 HA ASN 40 3.788 9.016 5.940 301 HB2 ASN 40 2HB ASN 40 3.647 6.863 7.212 302 HB3 ASN 40 1HB ASN 40 4.586 6.099 5.935 303 HD21 ASN 40 1HD2 ASN 40 6.314 5.601 7.249 304 HD22 ASN 40 2HD2 ASN 40 7.379 6.810 7.898 305 H SER 41 H SER 41 5.069 10.120 4.680 306 HA SER 41 HA SER 41 6.796 10.643 3.314 307 HB2 SER 41 2HB SER 41 7.875 8.734 4.543 308 HB3 SER 41 1HB SER 41 7.387 7.679 3.220 309 HG SER 41 HG SER 41 8.817 10.030 2.636 310 H GLY 42 H GLY 42 4.102 9.788 2.255 311 HA2 GLY 42 2HA GLY 42 3.660 10.471 -0.072 312 HA3 GLY 42 1HA GLY 42 4.994 9.427 -0.542 313 H TRP 43 H TRP 43 4.453 7.149 0.888 314 HA TRP 43 HA TRP 43 2.145 6.140 -0.580 315 HB2 TRP 43 2HB TRP 43 4.260 4.736 1.055 316 HB3 TRP 43 1HB TRP 43 2.921 3.915 0.270 317 HD1 TRP 43 HD1 TRP 43 3.375 5.921 -2.450 318 HE1 TRP 43 HE1 TRP 43 5.236 5.153 -4.070 319 HE3 TRP 43 HE3 TRP 43 5.904 2.851 0.706 320 HZ2 TRP 43 HZ2 TRP 43 7.495 3.414 -3.986 321 HZ3 TRP 43 HZ3 TRP 43 7.907 1.667 -0.115 322 HH2 TRP 43 HH2 TRP 43 8.679 1.949 -2.413 323 H SER 44 H SER 44 0.603 4.744 0.463 324 HA SER 44 HA SER 44 0.236 5.326 3.326 325 HB2 SER 44 2HB SER 44 -1.631 6.110 1.848 326 HB3 SER 44 1HB SER 44 -1.888 4.436 1.353 327 HG SER 44 HG SER 44 -2.621 5.728 3.671 328 H LYS 45 H LYS 45 0.128 3.638 4.715 329 HA LYS 45 HA LYS 45 1.332 1.221 3.755 330 HB2 LYS 45 2HB LYS 45 1.980 2.531 5.790 331 HB3 LYS 45 1HB LYS 45 0.479 2.009 6.532 332 HG2 LYS 45 2HG LYS 45 1.178 -0.223 6.622 333 HG3 LYS 45 1HG LYS 45 2.533 0.080 5.527 334 HD2 LYS 45 2HD LYS 45 2.197 1.247 8.285 335 HD3 LYS 45 1HD LYS 45 3.275 -0.065 7.838 336 HE2 LYS 45 2HE LYS 45 4.545 1.371 6.399 337 HE3 LYS 45 1HE LYS 45 3.399 2.685 6.645 338 HZ1 LYS 45 3HZ LYS 45 4.043 2.726 8.990 339 HZ2 LYS 45 1HZ LYS 45 5.363 3.017 7.965 340 HZ3 LYS 45 2HZ LYS 45 5.186 1.503 8.706 341 H ILE 46 H ILE 46 0.396 -0.669 3.440 342 HA ILE 46 HA ILE 46 -2.197 -1.253 4.692 343 HB ILE 46 HB ILE 46 -3.035 -2.322 2.669 344 HG12 ILE 46 2HG1 ILE 46 -0.490 -1.329 1.366 345 HG13 ILE 46 1HG1 ILE 46 -0.930 -3.005 1.663 346 HG21 ILE 46 1HG2 ILE 46 -3.417 -0.331 1.272 347 HG22 ILE 46 2HG2 ILE 46 -2.168 0.521 2.177 348 HG23 ILE 46 3HG2 ILE 46 -3.639 -0.009 2.993 349 HD11 ILE 46 3HD1 ILE 46 -1.253 -2.448 -0.656 350 HD12 ILE 46 1HD1 ILE 46 -2.312 -1.109 -0.213 351 HD13 ILE 46 2HD1 ILE 46 -2.809 -2.770 0.108 352 H ASN 47 H ASN 47 -2.634 -3.741 4.400 353 HA ASN 47 HA ASN 47 -0.090 -5.205 4.384 354 HB2 ASN 47 2HB ASN 47 -0.781 -4.723 6.745 355 HB3 ASN 47 1HB ASN 47 -2.246 -5.662 6.459 356 HD21 ASN 47 1HD2 ASN 47 1.184 -5.763 6.921 357 HD22 ASN 47 2HD2 ASN 47 1.312 -7.483 7.109 358 H TYR 48 H TYR 48 -0.193 -6.759 2.914 359 HA TYR 48 HA TYR 48 -2.794 -8.056 2.456 360 HB2 TYR 48 2HB TYR 48 -0.917 -6.865 0.503 361 HB3 TYR 48 1HB TYR 48 -1.604 -8.423 0.059 362 HD1 TYR 48 HD1 TYR 48 -2.340 -4.921 0.768 363 HD2 TYR 48 HD2 TYR 48 -3.965 -8.651 -0.418 364 HE1 TYR 48 HE1 TYR 48 -4.416 -3.788 0.096 365 HE2 TYR 48 HE2 TYR 48 -6.047 -7.540 -1.102 366 HH TYR 48 HH TYR 48 -6.327 -4.108 -1.284 367 H ASN 49 H ASN 49 -2.751 -9.997 3.143 368 HA ASN 49 HA ASN 49 -2.191 -12.164 3.516 369 HB2 ASN 49 2HB ASN 49 -1.649 -11.890 0.988 370 HB3 ASN 49 1HB ASN 49 0.033 -11.934 1.509 371 HD21 ASN 49 1HD2 ASN 49 -2.947 -13.708 1.282 372 HD22 ASN 49 2HD2 ASN 49 -2.258 -15.284 1.511 373 H GLY 50 H GLY 50 -0.950 -10.048 5.043 374 HA2 GLY 50 2HA GLY 50 0.274 -10.331 7.011 375 HA3 GLY 50 1HA GLY 50 1.015 -11.765 6.325 376 H GLN 51 H GLN 51 1.572 -9.906 3.863 377 HA GLN 51 HA GLN 51 4.167 -9.098 4.932 378 HB2 GLN 51 2HB GLN 51 4.887 -8.920 2.606 379 HB3 GLN 51 1HB GLN 51 4.172 -10.494 2.922 380 HG2 GLN 51 2HG GLN 51 2.015 -9.484 1.983 381 HG3 GLN 51 1HG GLN 51 3.050 -8.201 1.363 382 HE21 GLN 51 1HE2 GLN 51 1.445 -10.184 -0.044 383 HE22 GLN 51 2HE2 GLN 51 2.540 -11.035 -1.082 384 H THR 52 H THR 52 5.075 -7.017 4.386 385 HA THR 52 HA THR 52 3.148 -4.983 4.985 386 HB THR 52 HB THR 52 6.085 -4.624 4.354 387 HG1 THR 52 HG1 THR 52 5.124 -6.041 6.290 388 HG21 THR 52 3HG2 THR 52 5.841 -2.603 5.751 389 HG22 THR 52 1HG2 THR 52 4.114 -2.929 5.896 390 HG23 THR 52 2HG2 THR 52 4.811 -2.549 4.320 391 H GLY 53 H GLY 53 1.993 -3.915 3.543 392 HA2 GLY 53 2HA GLY 53 3.100 -3.616 0.820 393 HA3 GLY 53 1HA GLY 53 1.389 -3.857 1.151 394 H TYR 54 H TYR 54 2.124 -1.756 -0.370 395 HA TYR 54 HA TYR 54 1.307 0.484 1.308 396 HB2 TYR 54 2HB TYR 54 3.635 0.610 -0.630 397 HB3 TYR 54 1HB TYR 54 2.920 1.994 0.183 398 HD1 TYR 54 HD1 TYR 54 2.987 1.964 2.777 399 HD2 TYR 54 HD2 TYR 54 5.434 -0.496 0.321 400 HE1 TYR 54 HE1 TYR 54 4.569 1.682 4.639 401 HE2 TYR 54 HE2 TYR 54 7.013 -0.790 2.176 402 HH TYR 54 HH TYR 54 7.622 0.698 4.309 403 H ILE 55 H ILE 55 0.454 2.267 -0.015 404 HA ILE 55 HA ILE 55 0.024 1.525 -2.828 405 HB ILE 55 HB ILE 55 -2.049 2.847 -2.857 406 HG12 ILE 55 2HG1 ILE 55 -3.016 3.135 -0.375 407 HG13 ILE 55 1HG1 ILE 55 -1.308 3.381 -0.031 408 HG21 ILE 55 1HG2 ILE 55 -3.467 1.284 -1.607 409 HG22 ILE 55 2HG2 ILE 55 -2.032 0.658 -0.795 410 HG23 ILE 55 3HG2 ILE 55 -2.211 0.464 -2.539 411 HD11 ILE 55 3HD1 ILE 55 -2.403 5.496 -0.404 412 HD12 ILE 55 1HD1 ILE 55 -2.988 4.947 -1.975 413 HD13 ILE 55 2HD1 ILE 55 -1.260 5.177 -1.708 414 H GLY 56 H GLY 56 0.370 3.142 -4.348 415 HA2 GLY 56 2HA GLY 56 2.040 5.316 -3.307 416 HA3 GLY 56 1HA GLY 56 2.015 4.744 -4.969 417 H THR 57 H THR 57 0.799 6.987 -2.744 418 HA THR 57 HA THR 57 -1.753 7.568 -3.551 419 HB THR 57 HB THR 57 0.238 9.667 -2.696 420 HG1 THR 57 HG1 THR 57 0.452 8.528 -0.922 421 HG21 THR 57 3HG2 THR 57 -1.706 10.637 -1.563 422 HG22 THR 57 1HG2 THR 57 -2.722 9.333 -2.181 423 HG23 THR 57 2HG2 THR 57 -1.991 10.487 -3.296 424 H ARG 58 H ARG 58 1.166 8.307 -5.297 425 HA ARG 58 HA ARG 58 0.349 10.351 -6.970 426 HB2 ARG 58 2HB ARG 58 2.247 8.084 -7.201 427 HB3 ARG 58 1HB ARG 58 1.768 8.872 -8.696 428 HG2 ARG 58 2HG ARG 58 2.540 11.003 -7.859 429 HG3 ARG 58 1HG ARG 58 2.935 10.269 -6.305 430 HD2 ARG 58 2HD ARG 58 4.152 9.402 -8.917 431 HD3 ARG 58 1HD ARG 58 4.877 10.620 -7.866 432 HE ARG 58 HE ARG 58 4.386 7.822 -7.017 433 HH11 ARG 58 1HH1 ARG 58 6.440 10.653 -7.209 434 HH12 ARG 58 2HH1 ARG 58 7.663 10.007 -6.160 435 HH21 ARG 58 1HH2 ARG 58 5.984 6.951 -5.653 436 HH22 ARG 58 2HH2 ARG 58 7.397 7.896 -5.251 437 H TYR 59 H TYR 59 -0.410 6.899 -7.121 438 HA TYR 59 HA TYR 59 -2.548 7.593 -8.980 439 HB2 TYR 59 2HB TYR 59 -0.813 5.170 -8.889 440 HB3 TYR 59 1HB TYR 59 -2.425 5.110 -9.582 441 HD1 TYR 59 HD2 TYR 59 -2.374 7.996 -10.646 442 HD2 TYR 59 HD1 TYR 59 0.353 4.770 -10.882 443 HE1 TYR 59 HE2 TYR 59 -1.465 8.941 -12.720 444 HE2 TYR 59 HE1 TYR 59 1.277 5.708 -12.939 445 HH TYR 59 HH TYR 59 0.508 7.213 -14.809 446 H LEU 60 H LEU 60 -4.521 6.532 -8.597 447 HA LEU 60 HA LEU 60 -4.861 5.036 -6.145 448 HB2 LEU 60 2HB LEU 60 -5.909 7.851 -6.459 449 HB3 LEU 60 1HB LEU 60 -6.626 6.712 -5.340 450 HG LEU 60 HG LEU 60 -3.737 7.593 -5.218 451 HD11 LEU 60 1HD1 LEU 60 -4.448 8.988 -3.326 452 HD12 LEU 60 2HD1 LEU 60 -6.130 8.577 -3.664 453 HD13 LEU 60 3HD1 LEU 60 -5.194 9.500 -4.839 454 HD21 LEU 60 3HD2 LEU 60 -4.168 5.435 -4.191 455 HD22 LEU 60 1HD2 LEU 60 -5.506 6.121 -3.269 456 HD23 LEU 60 2HD2 LEU 60 -3.854 6.654 -2.956 457 H SER 61 H SER 61 -6.569 3.752 -6.241 458 HA SER 61 HA SER 61 -8.631 4.269 -8.256 459 HB2 SER 61 2HB SER 61 -8.694 1.671 -8.429 460 HB3 SER 61 1HB SER 61 -7.429 2.547 -9.293 461 HG SER 61 HG SER 61 -5.956 1.837 -7.903 462 H LYS 62 H LYS 62 -10.684 3.960 -7.573 463 HA LYS 62 HA LYS 62 -11.151 2.643 -5.003 464 HB2 LYS 62 2HB LYS 62 -10.852 5.069 -4.582 465 HB3 LYS 62 1HB LYS 62 -12.184 5.396 -5.680 466 HG2 LYS 62 2HG LYS 62 -13.709 4.201 -4.216 467 HG3 LYS 62 1HG LYS 62 -12.372 3.810 -3.130 468 HD2 LYS 62 2HD LYS 62 -12.004 6.148 -2.675 469 HD3 LYS 62 1HD LYS 62 -13.239 6.594 -3.848 470 HE2 LYS 62 2HE LYS 62 -14.940 5.487 -2.477 471 HE3 LYS 62 1HE LYS 62 -13.699 5.032 -1.308 472 HZ1 LYS 62 3HZ LYS 62 -14.468 7.816 -2.023 473 HZ2 LYS 62 1HZ LYS 62 -13.278 7.375 -0.894 474 HZ3 LYS 62 2HZ LYS 62 -14.909 7.002 -0.600 475 H LEU 63 H LEU 63 -12.604 1.129 -5.421 476 HA LEU 63 HA LEU 63 -14.340 1.306 -7.707 477 HB2 LEU 63 2HB LEU 63 -13.312 -0.827 -6.999 478 HB3 LEU 63 1HB LEU 63 -14.228 -0.760 -5.506 479 HG LEU 63 HG LEU 63 -16.327 -0.909 -6.811 480 HD11 LEU 63 1HD1 LEU 63 -15.558 0.067 -8.897 481 HD12 LEU 63 2HD1 LEU 63 -16.224 -1.541 -9.173 482 HD13 LEU 63 3HD1 LEU 63 -14.477 -1.302 -9.158 483 HD21 LEU 63 3HD2 LEU 63 -15.283 -2.917 -5.878 484 HD22 LEU 63 1HD2 LEU 63 -14.357 -3.127 -7.363 485 HD23 LEU 63 2HD2 LEU 63 -16.115 -3.264 -7.394 486 H GLU 64 H GLU 64 -14.684 1.407 -4.203 487 HA GLU 64 HA GLU 64 -16.427 1.758 -2.799 488 HB2 GLU 64 2HB GLU 64 -17.510 3.865 -3.025 489 HB3 GLU 64 1HB GLU 64 -15.875 4.045 -3.626 490 HG2 GLU 64 2HG GLU 64 -16.613 4.111 -5.875 491 HG3 GLU 64 1HG GLU 64 -18.243 3.614 -5.421 492 H HIS 65 H HIS 65 -19.047 2.667 -3.168 493 HA HIS 65 HA HIS 65 -20.350 0.290 -4.038 494 HB2 HIS 65 2HB HIS 65 -22.388 1.322 -3.415 495 HB3 HIS 65 1HB HIS 65 -21.198 1.939 -2.278 496 HD1 HIS 65 HD1 HIS 65 -20.246 4.439 -2.937 497 HD2 HIS 65 HD2 HIS 65 -23.838 3.241 -4.656 498 HE1 HIS 65 HE1 HIS 65 -21.349 6.550 -3.737 499 HE2 HIS 65 HE2 HIS 65 -23.620 5.819 -4.556 500 H HIS 66 H HIS 66 -21.610 -0.067 -5.854 501 HA HIS 66 HA HIS 66 -20.737 1.305 -8.227 502 HB2 HIS 66 2HB HIS 66 -21.150 -1.134 -8.182 503 HB3 HIS 66 1HB HIS 66 -22.850 -0.837 -7.844 504 HD1 HIS 66 HD1 HIS 66 -24.357 -0.599 -9.797 505 HD2 HIS 66 HD2 HIS 66 -20.350 -0.222 -10.836 506 HE1 HIS 66 HE1 HIS 66 -24.314 -0.526 -12.309 507 HE2 HIS 66 HE2 HIS 66 -21.863 -0.540 -12.909 508 H HIS 67 H HIS 67 -21.724 2.987 -9.225 509 HA HIS 67 HA HIS 67 -24.013 4.134 -7.913 510 HB2 HIS 67 2HB HIS 67 -23.793 6.010 -9.432 511 HB3 HIS 67 1HB HIS 67 -22.223 5.589 -8.774 512 HD1 HIS 67 HD1 HIS 67 -20.470 5.880 -10.476 513 HD2 HIS 67 HD2 HIS 67 -24.038 4.579 -12.173 514 HE1 HIS 67 HE1 HIS 67 -20.032 5.732 -12.945 515 HE2 HIS 67 HE2 HIS 67 -22.272 5.194 -13.967 516 H HIS 68 H HIS 68 -26.051 4.509 -8.758 517 HA HIS 68 HA HIS 68 -26.882 2.464 -10.676 518 HB2 HIS 68 2HB HIS 68 -27.946 3.350 -8.254 519 HB3 HIS 68 1HB HIS 68 -29.021 4.023 -9.473 520 HD1 HIS 68 HD1 HIS 68 -30.907 2.524 -10.053 521 HD2 HIS 68 HD2 HIS 68 -27.551 0.391 -8.819 522 HE1 HIS 68 HE1 HIS 68 -31.601 0.111 -10.034 523 HE2 HIS 68 HE2 HIS 68 -29.504 -1.174 -9.487 524 H HIS 69 H HIS 69 -27.720 2.918 -12.612 525 HA HIS 69 HA HIS 69 -27.746 5.721 -13.464 526 HB2 HIS 69 2HB HIS 69 -26.441 4.046 -14.778 527 HB3 HIS 69 1HB HIS 69 -27.941 3.200 -15.131 528 HD1 HIS 69 HD1 HIS 69 -28.741 3.710 -17.402 529 HD2 HIS 69 HD2 HIS 69 -26.806 6.963 -15.678 530 HE1 HIS 69 HE1 HIS 69 -28.779 5.523 -19.147 531 HE2 HIS 69 HE2 HIS 69 -27.418 7.404 -18.152 532 H HIS 70 H HIS 70 -29.744 2.865 -13.181 533 HA HIS 70 HA HIS 70 -32.105 4.579 -13.190 534 HB2 HIS 70 2HB HIS 70 -31.620 2.303 -15.059 535 HB3 HIS 70 1HB HIS 70 -33.240 2.502 -14.401 536 HD1 HIS 70 HD1 HIS 70 -31.373 3.403 -17.261 537 HD2 HIS 70 HD2 HIS 70 -34.077 5.410 -14.822 538 HE1 HIS 70 HE1 HIS 70 -32.233 5.321 -18.634 539 HE2 HIS 70 HE2 HIS 70 -34.015 6.394 -17.214 Start of MODEL 16 1 H1 MET 1 1H MET 1 14.708 8.045 -12.119 2 H2 MET 1 2H MET 1 13.954 6.761 -11.303 3 H3 MET 1 3H MET 1 15.371 7.446 -10.677 4 HA MET 1 HA MET 1 13.416 8.143 -9.462 5 HB2 MET 1 2HB MET 1 13.848 10.556 -9.512 6 HB3 MET 1 1HB MET 1 15.344 9.638 -9.543 7 HG2 MET 1 2HG MET 1 14.049 10.811 -11.993 8 HG3 MET 1 1HG MET 1 15.281 11.638 -11.042 9 HE1 MET 1 3HE MET 1 17.135 10.546 -14.349 10 HE2 MET 1 1HE MET 1 16.670 11.909 -13.330 11 HE3 MET 1 2HE MET 1 15.438 11.006 -14.211 12 H ILE 2 H ILE 2 11.328 8.161 -9.616 13 HA ILE 2 HA ILE 2 9.206 8.358 -10.385 14 HB ILE 2 HB ILE 2 10.261 10.986 -11.451 15 HG12 ILE 2 2HG1 ILE 2 8.988 11.792 -9.325 16 HG13 ILE 2 1HG1 ILE 2 9.154 10.125 -8.790 17 HG21 ILE 2 1HG2 ILE 2 7.921 11.739 -11.359 18 HG22 ILE 2 2HG2 ILE 2 7.423 10.100 -10.937 19 HG23 ILE 2 3HG2 ILE 2 8.152 10.423 -12.511 20 HD11 ILE 2 3HD1 ILE 2 11.582 10.317 -8.947 21 HD12 ILE 2 1HD1 ILE 2 10.898 11.529 -7.864 22 HD13 ILE 2 2HD1 ILE 2 11.413 11.988 -9.487 23 H GLY 3 H GLY 3 9.218 6.610 -11.844 24 HA2 GLY 3 2HA GLY 3 9.850 7.034 -14.619 25 HA3 GLY 3 1HA GLY 3 9.066 5.617 -13.930 26 H ASP 4 H ASP 4 7.150 7.547 -12.599 27 HA ASP 4 HA ASP 4 5.083 8.410 -12.922 28 HB2 ASP 4 2HB ASP 4 6.379 10.056 -14.294 29 HB3 ASP 4 1HB ASP 4 6.045 9.074 -15.715 30 H TYR 5 H TYR 5 5.406 5.687 -13.236 31 HA TYR 5 HA TYR 5 3.956 4.797 -15.558 32 HB2 TYR 5 2HB TYR 5 4.811 3.325 -13.060 33 HB3 TYR 5 1HB TYR 5 4.055 2.567 -14.456 34 HD1 TYR 5 HD1 TYR 5 5.270 2.645 -16.674 35 HD2 TYR 5 HD2 TYR 5 7.133 3.702 -12.998 36 HE1 TYR 5 HE1 TYR 5 7.477 2.326 -17.708 37 HE2 TYR 5 HE2 TYR 5 9.346 3.388 -14.024 38 HH TYR 5 HH TYR 5 10.363 2.196 -15.889 39 H TYR 6 H TYR 6 1.960 5.716 -15.526 40 HA TYR 6 HA TYR 6 0.234 5.734 -13.278 41 HB2 TYR 6 2HB TYR 6 -1.548 6.262 -14.955 42 HB3 TYR 6 1HB TYR 6 -0.140 7.311 -15.076 43 HD1 TYR 6 HD2 TYR 6 1.573 6.802 -16.894 44 HD2 TYR 6 HD1 TYR 6 -2.305 5.052 -16.838 45 HE1 TYR 6 HE2 TYR 6 1.789 6.266 -19.278 46 HE2 TYR 6 HE1 TYR 6 -2.095 4.506 -19.230 47 HH TYR 6 HH TYR 6 -0.826 5.318 -21.195 48 H ILE 7 H ILE 7 -0.854 4.095 -12.412 49 HA ILE 7 HA ILE 7 -0.889 1.524 -13.683 50 HB ILE 7 HB ILE 7 -2.234 2.455 -11.135 51 HG12 ILE 7 2HG1 ILE 7 -0.439 0.862 -10.151 52 HG13 ILE 7 1HG1 ILE 7 0.367 1.046 -11.703 53 HG21 ILE 7 1HG2 ILE 7 -2.579 0.085 -10.639 54 HG22 ILE 7 2HG2 ILE 7 -1.935 -0.338 -12.225 55 HG23 ILE 7 3HG2 ILE 7 -3.437 0.577 -12.100 56 HD11 ILE 7 3HD1 ILE 7 -0.321 3.274 -9.805 57 HD12 ILE 7 1HD1 ILE 7 0.513 3.447 -11.347 58 HD13 ILE 7 2HD1 ILE 7 1.273 2.555 -10.030 59 H ASN 8 H ASN 8 -3.592 3.329 -12.266 60 HA ASN 8 HA ASN 8 -5.698 3.768 -12.931 61 HB2 ASN 8 2HB ASN 8 -4.746 4.678 -14.986 62 HB3 ASN 8 1HB ASN 8 -4.711 3.071 -15.704 63 HD21 ASN 8 1HD2 ASN 8 -6.456 2.367 -16.765 64 HD22 ASN 8 2HD2 ASN 8 -7.978 3.200 -16.836 65 H ALA 9 H ALA 9 -4.656 0.955 -14.870 66 HA ALA 9 HA ALA 9 -5.548 -1.121 -15.155 67 HB1 ALA 9 3HB ALA 9 -6.086 -2.315 -13.100 68 HB2 ALA 9 1HB ALA 9 -6.180 -0.788 -12.224 69 HB3 ALA 9 2HB ALA 9 -4.640 -1.328 -12.894 70 H SER 10 H SER 10 -7.234 0.832 -16.027 71 HA SER 10 HA SER 10 -9.326 1.143 -16.802 72 HB2 SER 10 2HB SER 10 -9.437 -1.360 -16.902 73 HB3 SER 10 1HB SER 10 -10.155 -1.342 -15.292 74 HG SER 10 HG SER 10 -11.606 0.334 -16.571 75 H ALA 11 H ALA 11 -9.133 0.287 -13.367 76 HA ALA 11 HA ALA 11 -10.372 2.728 -12.583 77 HB1 ALA 11 3HB ALA 11 -11.988 0.217 -12.153 78 HB2 ALA 11 1HB ALA 11 -12.390 1.522 -13.268 79 HB3 ALA 11 2HB ALA 11 -12.374 1.821 -11.530 80 H LEU 12 H LEU 12 -10.073 -0.626 -11.389 81 HA LEU 12 HA LEU 12 -9.524 0.332 -8.723 82 HB2 LEU 12 2HB LEU 12 -9.594 -2.473 -9.832 83 HB3 LEU 12 1HB LEU 12 -9.477 -2.059 -8.133 84 HG LEU 12 HG LEU 12 -11.827 -1.398 -9.914 85 HD11 LEU 12 1HD1 LEU 12 -11.523 -3.529 -7.799 86 HD12 LEU 12 2HD1 LEU 12 -11.608 -3.803 -9.539 87 HD13 LEU 12 3HD1 LEU 12 -13.000 -3.144 -8.681 88 HD21 LEU 12 3HD2 LEU 12 -12.948 -0.825 -7.818 89 HD22 LEU 12 1HD2 LEU 12 -11.532 0.192 -8.091 90 HD23 LEU 12 2HD2 LEU 12 -11.454 -1.135 -6.931 91 H ASN 13 H ASN 13 -7.604 0.568 -7.799 92 HA ASN 13 HA ASN 13 -5.197 -0.017 -9.291 93 HB2 ASN 13 2HB ASN 13 -5.630 2.107 -7.931 94 HB3 ASN 13 1HB ASN 13 -5.360 1.117 -6.503 95 HD21 ASN 13 1HD2 ASN 13 -3.301 0.477 -5.976 96 HD22 ASN 13 2HD2 ASN 13 -1.899 1.058 -6.804 97 H VAL 14 H VAL 14 -7.107 -1.934 -7.693 98 HA VAL 14 HA VAL 14 -5.664 -3.093 -5.593 99 HB VAL 14 HB VAL 14 -7.168 -5.021 -5.785 100 HG11 VAL 14 1HG1 VAL 14 -9.284 -3.813 -5.476 101 HG12 VAL 14 2HG1 VAL 14 -8.528 -2.355 -6.117 102 HG13 VAL 14 3HG1 VAL 14 -7.949 -3.057 -4.607 103 HG21 VAL 14 3HG2 VAL 14 -8.133 -3.679 -8.309 104 HG22 VAL 14 1HG2 VAL 14 -8.899 -5.064 -7.532 105 HG23 VAL 14 2HG2 VAL 14 -7.276 -5.218 -8.204 106 H ARG 15 H ARG 15 -4.746 -3.209 -8.798 107 HA ARG 15 HA ARG 15 -3.364 -5.770 -8.342 108 HB2 ARG 15 2HB ARG 15 -4.268 -4.672 -11.007 109 HB3 ARG 15 1HB ARG 15 -3.398 -6.180 -10.756 110 HG2 ARG 15 2HG ARG 15 -5.335 -6.933 -9.340 111 HG3 ARG 15 1HG ARG 15 -6.200 -5.505 -9.912 112 HD2 ARG 15 2HD ARG 15 -5.141 -7.793 -11.559 113 HD3 ARG 15 1HD ARG 15 -6.828 -7.371 -11.273 114 HE ARG 15 HE ARG 15 -5.022 -5.560 -12.742 115 HH11 ARG 15 1HH1 ARG 15 -8.026 -7.327 -12.461 116 HH12 ARG 15 2HH1 ARG 15 -8.639 -6.788 -13.998 117 HH21 ARG 15 1HH2 ARG 15 -5.810 -4.836 -14.756 118 HH22 ARG 15 2HH2 ARG 15 -7.362 -5.394 -15.320 119 H SER 16 H SER 16 -3.156 -2.671 -10.086 120 HA SER 16 HA SER 16 -1.449 -1.197 -10.323 121 HB2 SER 16 2HB SER 16 -0.185 -2.890 -8.167 122 HB3 SER 16 1HB SER 16 0.434 -1.333 -8.701 123 HG SER 16 HG SER 16 -1.086 -1.487 -6.788 124 H GLY 17 H GLY 17 -1.259 -4.232 -11.455 125 HA2 GLY 17 2HA GLY 17 0.139 -5.368 -12.880 126 HA3 GLY 17 1HA GLY 17 0.769 -3.787 -13.320 127 H GLU 18 H GLU 18 2.837 -3.401 -12.883 128 HA GLU 18 HA GLU 18 4.067 -4.331 -10.454 129 HB2 GLU 18 2HB GLU 18 4.353 -6.257 -12.067 130 HB3 GLU 18 1HB GLU 18 5.307 -5.183 -13.082 131 HG2 GLU 18 2HG GLU 18 6.876 -4.865 -11.198 132 HG3 GLU 18 1HG GLU 18 5.942 -6.036 -10.268 133 H GLY 19 H GLY 19 6.113 -3.262 -10.070 134 HA2 GLY 19 2HA GLY 19 7.202 -1.401 -11.919 135 HA3 GLY 19 1HA GLY 19 6.153 -0.583 -10.770 136 H THR 20 H THR 20 7.527 0.496 -9.509 137 HA THR 20 HA THR 20 10.058 -0.529 -8.716 138 HB THR 20 HB THR 20 9.824 1.841 -8.951 139 HG1 THR 20 HG1 THR 20 10.442 0.764 -6.473 140 HG21 THR 20 3HG2 THR 20 7.434 2.032 -8.504 141 HG22 THR 20 1HG2 THR 20 8.351 3.181 -7.527 142 HG23 THR 20 2HG2 THR 20 7.719 1.706 -6.794 143 H ASN 21 H ASN 21 6.962 -1.149 -7.601 144 HA ASN 21 HA ASN 21 8.151 -2.554 -5.329 145 HB2 ASN 21 2HB ASN 21 6.981 -0.569 -4.406 146 HB3 ASN 21 1HB ASN 21 5.494 -1.102 -5.185 147 HD21 ASN 21 1HD2 ASN 21 4.454 -1.233 -3.173 148 HD22 ASN 21 2HD2 ASN 21 4.785 -2.517 -2.068 149 H TYR 22 H TYR 22 7.379 -4.613 -5.052 150 HA TYR 22 HA TYR 22 5.709 -5.578 -7.261 151 HB2 TYR 22 2HB TYR 22 7.268 -7.273 -5.315 152 HB3 TYR 22 1HB TYR 22 6.723 -7.698 -6.937 153 HD1 TYR 22 HD2 TYR 22 7.599 -5.554 -8.634 154 HD2 TYR 22 HD1 TYR 22 9.584 -7.232 -5.262 155 HE1 TYR 22 HE2 TYR 22 9.750 -4.800 -9.534 156 HE2 TYR 22 HE1 TYR 22 11.744 -6.463 -6.153 157 HH TYR 22 HH TYR 22 11.987 -4.225 -8.695 158 H ARG 23 H ARG 23 5.676 -4.983 -3.934 159 HA ARG 23 HA ARG 23 3.294 -6.557 -3.407 160 HB2 ARG 23 2HB ARG 23 5.012 -4.756 -1.709 161 HB3 ARG 23 1HB ARG 23 3.446 -5.332 -1.146 162 HG2 ARG 23 2HG ARG 23 4.196 -7.636 -1.405 163 HG3 ARG 23 1HG ARG 23 5.763 -7.067 -1.978 164 HD2 ARG 23 2HD ARG 23 6.244 -6.067 0.152 165 HD3 ARG 23 1HD ARG 23 4.612 -6.404 0.729 166 HE ARG 23 HE ARG 23 5.168 -8.763 0.688 167 HH11 ARG 23 1HH1 ARG 23 7.846 -6.514 0.484 168 HH12 ARG 23 2HH1 ARG 23 9.025 -7.671 1.034 169 HH21 ARG 23 1HH2 ARG 23 6.701 -10.271 1.459 170 HH22 ARG 23 2HH2 ARG 23 8.372 -9.800 1.604 171 H ILE 24 H ILE 24 3.770 -4.051 -5.185 172 HA ILE 24 HA ILE 24 2.389 -1.833 -4.270 173 HB ILE 24 HB ILE 24 3.893 -1.969 -6.250 174 HG12 ILE 24 2HG1 ILE 24 2.544 -0.395 -7.696 175 HG13 ILE 24 1HG1 ILE 24 1.180 -0.695 -6.624 176 HG21 ILE 24 1HG2 ILE 24 3.005 -3.972 -7.277 177 HG22 ILE 24 2HG2 ILE 24 2.952 -2.625 -8.415 178 HG23 ILE 24 3HG2 ILE 24 1.478 -3.155 -7.606 179 HD11 ILE 24 3HD1 ILE 24 3.823 0.507 -5.846 180 HD12 ILE 24 1HD1 ILE 24 2.490 0.166 -4.743 181 HD13 ILE 24 2HD1 ILE 24 2.289 1.360 -6.026 182 H ILE 25 H ILE 25 0.991 -4.846 -5.018 183 HA ILE 25 HA ILE 25 -1.450 -4.111 -6.162 184 HB ILE 25 HB ILE 25 -2.263 -6.222 -4.744 185 HG12 ILE 25 2HG1 ILE 25 -0.304 -7.817 -4.622 186 HG13 ILE 25 1HG1 ILE 25 0.752 -6.422 -4.767 187 HG21 ILE 25 1HG2 ILE 25 -2.202 -6.111 -7.151 188 HG22 ILE 25 2HG2 ILE 25 -1.514 -7.638 -6.599 189 HG23 ILE 25 3HG2 ILE 25 -0.453 -6.339 -7.146 190 HD11 ILE 25 3HD1 ILE 25 -1.220 -6.928 -2.558 191 HD12 ILE 25 1HD1 ILE 25 -0.177 -5.513 -2.709 192 HD13 ILE 25 2HD1 ILE 25 0.532 -7.110 -2.463 193 H GLY 26 H GLY 26 -3.293 -3.257 -5.407 194 HA2 GLY 26 2HA GLY 26 -4.749 -3.475 -3.270 195 HA3 GLY 26 1HA GLY 26 -3.417 -2.600 -2.545 196 H ALA 27 H ALA 27 -6.250 -1.902 -2.827 197 HA ALA 27 HA ALA 27 -5.850 0.812 -3.808 198 HB1 ALA 27 3HB ALA 27 -8.157 -0.891 -4.747 199 HB2 ALA 27 1HB ALA 27 -6.801 -0.355 -5.738 200 HB3 ALA 27 2HB ALA 27 -7.932 0.826 -5.079 201 H LEU 28 H LEU 28 -8.142 2.008 -3.321 202 HA LEU 28 HA LEU 28 -9.159 0.979 -0.763 203 HB2 LEU 28 2HB LEU 28 -8.347 3.791 -1.437 204 HB3 LEU 28 1HB LEU 28 -9.445 3.432 -0.120 205 HG LEU 28 HG LEU 28 -6.582 2.506 -0.352 206 HD11 LEU 28 1HD1 LEU 28 -7.929 4.490 1.474 207 HD12 LEU 28 2HD1 LEU 28 -6.797 4.869 0.177 208 HD13 LEU 28 3HD1 LEU 28 -6.248 3.970 1.593 209 HD21 LEU 28 3HD2 LEU 28 -7.967 0.822 0.747 210 HD22 LEU 28 1HD2 LEU 28 -8.619 2.052 1.829 211 HD23 LEU 28 2HD2 LEU 28 -6.911 1.620 1.914 212 HA PRO 29 HA PRO 29 -12.780 2.119 -3.397 213 HB2 PRO 29 2HB PRO 29 -13.583 -0.581 -3.746 214 HB3 PRO 29 1HB PRO 29 -12.892 0.484 -4.969 215 HG2 PRO 29 2HG PRO 29 -11.683 -1.804 -3.911 216 HG3 PRO 29 1HG PRO 29 -10.872 -0.536 -4.844 217 HD2 PRO 29 2HD PRO 29 -10.952 -0.967 -1.893 218 HD3 PRO 29 1HD PRO 29 -9.646 -0.316 -2.908 219 H GLN 30 H GLN 30 -12.742 -0.855 -1.458 220 HA GLN 30 HA GLN 30 -14.028 0.119 0.804 221 HB2 GLN 30 2HB GLN 30 -16.003 0.411 -0.596 222 HB3 GLN 30 1HB GLN 30 -15.879 -1.248 -1.163 223 HG2 GLN 30 2HG GLN 30 -16.332 -2.069 1.075 224 HG3 GLN 30 1HG GLN 30 -16.409 -0.415 1.680 225 HE21 GLN 30 1HE2 GLN 30 -18.503 -0.710 2.415 226 HE22 GLN 30 2HE2 GLN 30 -19.853 -0.770 1.334 227 H GLY 31 H GLY 31 -13.571 -1.323 2.368 228 HA2 GLY 31 2HA GLY 31 -14.167 -3.807 2.803 229 HA3 GLY 31 1HA GLY 31 -12.982 -4.078 1.539 230 H GLN 32 H GLN 32 -12.625 -5.259 3.909 231 HA GLN 32 HA GLN 32 -10.396 -3.740 5.087 232 HB2 GLN 32 2HB GLN 32 -10.892 -5.289 7.135 233 HB3 GLN 32 1HB GLN 32 -11.839 -3.834 6.886 234 HG2 GLN 32 2HG GLN 32 -13.231 -5.722 7.542 235 HG3 GLN 32 1HG GLN 32 -13.646 -5.142 5.933 236 HE21 GLN 32 1HE2 GLN 32 -12.228 -7.731 7.769 237 HE22 GLN 32 2HE2 GLN 32 -12.220 -8.898 6.487 238 H LYS 33 H LYS 33 -10.813 -5.896 2.912 239 HA LYS 33 HA LYS 33 -9.343 -8.163 3.803 240 HB2 LYS 33 2HB LYS 33 -9.182 -8.750 1.416 241 HB3 LYS 33 1HB LYS 33 -10.826 -8.325 1.874 242 HG2 LYS 33 2HG LYS 33 -10.530 -6.110 0.897 243 HG3 LYS 33 1HG LYS 33 -8.877 -6.526 0.449 244 HD2 LYS 33 2HD LYS 33 -10.094 -6.858 -1.515 245 HD3 LYS 33 1HD LYS 33 -9.919 -8.478 -0.843 246 HE2 LYS 33 2HE LYS 33 -12.351 -6.752 -0.404 247 HE3 LYS 33 1HE LYS 33 -12.206 -7.894 -1.737 248 HZ1 LYS 33 3HZ LYS 33 -12.218 -8.522 1.168 249 HZ2 LYS 33 1HZ LYS 33 -11.859 -9.658 -0.042 250 HZ3 LYS 33 2HZ LYS 33 -13.390 -8.941 0.018 251 H VAL 34 H VAL 34 -8.492 -5.033 2.621 252 HA VAL 34 HA VAL 34 -5.688 -5.711 3.051 253 HB VAL 34 HB VAL 34 -5.762 -5.790 0.690 254 HG11 VAL 34 1HG1 VAL 34 -6.695 -4.007 -0.727 255 HG12 VAL 34 2HG1 VAL 34 -7.303 -3.201 0.719 256 HG13 VAL 34 3HG1 VAL 34 -7.917 -4.793 0.274 257 HG21 VAL 34 3HG2 VAL 34 -3.871 -4.539 1.561 258 HG22 VAL 34 1HG2 VAL 34 -4.796 -3.039 1.460 259 HG23 VAL 34 2HG2 VAL 34 -4.364 -3.910 -0.012 260 H GLN 35 H GLN 35 -7.130 -2.688 1.881 261 HA GLN 35 HA GLN 35 -7.455 -0.654 2.798 262 HB2 GLN 35 2HB GLN 35 -8.719 -1.986 4.493 263 HB3 GLN 35 1HB GLN 35 -7.265 -2.029 5.477 264 HG2 GLN 35 2HG GLN 35 -7.311 0.343 5.769 265 HG3 GLN 35 1HG GLN 35 -8.638 0.504 4.618 266 HE21 GLN 35 1HE2 GLN 35 -7.710 -0.507 7.810 267 HE22 GLN 35 2HE2 GLN 35 -9.314 -0.592 8.460 268 H VAL 36 H VAL 36 -6.361 1.119 3.732 269 HA VAL 36 HA VAL 36 -3.479 0.737 3.881 270 HB VAL 36 HB VAL 36 -5.169 3.243 3.749 271 HG11 VAL 36 1HG1 VAL 36 -3.063 4.458 3.444 272 HG12 VAL 36 2HG1 VAL 36 -2.169 2.973 3.760 273 HG13 VAL 36 3HG1 VAL 36 -3.156 3.694 5.031 274 HG21 VAL 36 3HG2 VAL 36 -5.109 1.990 1.668 275 HG22 VAL 36 1HG2 VAL 36 -3.347 1.949 1.728 276 HG23 VAL 36 2HG2 VAL 36 -4.186 3.486 1.518 277 H ILE 37 H ILE 37 -2.284 1.022 5.703 278 HA ILE 37 HA ILE 37 -3.704 1.433 8.212 279 HB ILE 37 HB ILE 37 -0.732 1.042 7.811 280 HG12 ILE 37 2HG1 ILE 37 -1.776 -1.311 8.862 281 HG13 ILE 37 1HG1 ILE 37 -2.937 -0.849 7.621 282 HG21 ILE 37 1HG2 ILE 37 -1.302 1.994 9.964 283 HG22 ILE 37 2HG2 ILE 37 -0.771 0.324 10.165 284 HG23 ILE 37 3HG2 ILE 37 -2.489 0.719 10.240 285 HD11 ILE 37 3HD1 ILE 37 0.021 -1.217 7.216 286 HD12 ILE 37 1HD1 ILE 37 -1.140 -0.748 5.973 287 HD13 ILE 37 2HD1 ILE 37 -1.249 -2.339 6.727 288 H SER 38 H SER 38 -0.897 2.834 6.569 289 HA SER 38 HA SER 38 -1.770 5.525 7.069 290 HB2 SER 38 2HB SER 38 0.804 4.562 8.364 291 HB3 SER 38 1HB SER 38 0.236 6.230 8.320 292 HG SER 38 HG SER 38 -1.710 4.705 9.317 293 H GLU 39 H GLU 39 -0.467 7.064 5.896 294 HA GLU 39 HA GLU 39 1.284 5.778 3.919 295 HB2 GLU 39 2HB GLU 39 0.419 7.505 2.291 296 HB3 GLU 39 1HB GLU 39 -0.687 6.216 2.716 297 HG2 GLU 39 2HG GLU 39 -1.719 7.800 4.370 298 HG3 GLU 39 1HG GLU 39 -0.732 9.070 3.647 299 H ASN 40 H ASN 40 3.091 6.854 3.293 300 HA ASN 40 HA ASN 40 3.688 9.556 3.990 301 HB2 ASN 40 2HB ASN 40 4.025 7.806 6.111 302 HB3 ASN 40 1HB ASN 40 5.606 7.835 5.382 303 HD21 ASN 40 1HD2 ASN 40 4.636 8.858 7.945 304 HD22 ASN 40 2HD2 ASN 40 5.091 10.532 7.978 305 H SER 41 H SER 41 5.715 10.186 3.116 306 HA SER 41 HA SER 41 7.815 9.986 2.309 307 HB2 SER 41 2HB SER 41 7.502 7.208 3.450 308 HB3 SER 41 1HB SER 41 9.018 7.949 3.003 309 HG SER 41 HG SER 41 7.354 9.356 4.731 310 H GLY 42 H GLY 42 5.446 9.181 0.606 311 HA2 GLY 42 2HA GLY 42 6.074 9.117 -1.805 312 HA3 GLY 42 1HA GLY 42 7.041 7.709 -1.400 313 H TRP 43 H TRP 43 5.343 6.234 0.151 314 HA TRP 43 HA TRP 43 3.158 5.632 -1.743 315 HB2 TRP 43 2HB TRP 43 4.957 3.668 -0.318 316 HB3 TRP 43 1HB TRP 43 3.526 3.232 -1.244 317 HD1 TRP 43 HD1 TRP 43 4.210 5.296 -3.721 318 HE1 TRP 43 HE1 TRP 43 6.063 4.587 -5.364 319 HE3 TRP 43 HE3 TRP 43 6.586 1.888 -0.790 320 HZ2 TRP 43 HZ2 TRP 43 8.250 2.794 -5.401 321 HZ3 TRP 43 HZ3 TRP 43 8.557 0.702 -1.695 322 HH2 TRP 43 HH2 TRP 43 9.364 1.148 -3.961 323 H SER 44 H SER 44 1.467 4.302 -0.845 324 HA SER 44 HA SER 44 0.912 5.001 1.955 325 HB2 SER 44 2HB SER 44 -0.669 5.793 0.186 326 HB3 SER 44 1HB SER 44 -1.024 4.112 -0.203 327 HG SER 44 HG SER 44 -2.059 5.664 1.726 328 H LYS 45 H LYS 45 1.036 3.380 3.407 329 HA LYS 45 HA LYS 45 1.764 0.790 2.429 330 HB2 LYS 45 2HB LYS 45 2.889 2.042 4.276 331 HB3 LYS 45 1HB LYS 45 1.469 1.728 5.266 332 HG2 LYS 45 2HG LYS 45 1.898 -0.534 5.387 333 HG3 LYS 45 1HG LYS 45 2.939 -0.511 3.958 334 HD2 LYS 45 2HD LYS 45 4.278 -0.724 5.933 335 HD3 LYS 45 1HD LYS 45 4.569 0.841 5.199 336 HE2 LYS 45 2HE LYS 45 2.952 1.815 6.811 337 HE3 LYS 45 1HE LYS 45 2.859 0.244 7.600 338 HZ1 LYS 45 3HZ LYS 45 5.154 2.096 7.446 339 HZ2 LYS 45 1HZ LYS 45 5.384 0.450 7.794 340 HZ3 LYS 45 2HZ LYS 45 4.437 1.411 8.821 341 H ILE 46 H ILE 46 0.723 -1.088 2.650 342 HA ILE 46 HA ILE 46 -1.984 -1.077 3.793 343 HB ILE 46 HB ILE 46 -2.738 -2.470 1.833 344 HG12 ILE 46 2HG1 ILE 46 -1.329 -1.834 -0.309 345 HG13 ILE 46 1HG1 ILE 46 -0.015 -1.701 0.852 346 HG21 ILE 46 1HG2 ILE 46 -1.907 0.366 1.260 347 HG22 ILE 46 2HG2 ILE 46 -3.402 -0.159 2.038 348 HG23 ILE 46 3HG2 ILE 46 -3.100 -0.555 0.346 349 HD11 ILE 46 3HD1 ILE 46 -0.381 -4.017 1.529 350 HD12 ILE 46 1HD1 ILE 46 -0.041 -3.886 -0.197 351 HD13 ILE 46 2HD1 ILE 46 -1.695 -4.151 0.359 352 H ASN 47 H ASN 47 -2.852 -3.387 3.924 353 HA ASN 47 HA ASN 47 -0.667 -5.342 4.231 354 HB2 ASN 47 2HB ASN 47 -1.490 -4.557 6.453 355 HB3 ASN 47 1HB ASN 47 -3.100 -5.126 6.026 356 HD21 ASN 47 1HD2 ASN 47 0.153 -6.061 6.819 357 HD22 ASN 47 2HD2 ASN 47 -0.195 -7.713 7.188 358 H TYR 48 H TYR 48 -0.938 -6.937 2.819 359 HA TYR 48 HA TYR 48 -3.674 -7.529 1.887 360 HB2 TYR 48 2HB TYR 48 -2.270 -6.095 0.320 361 HB3 TYR 48 1HB TYR 48 -1.215 -7.488 0.127 362 HD1 TYR 48 HD2 TYR 48 -2.019 -9.492 -1.076 363 HD2 TYR 48 HD1 TYR 48 -4.414 -5.992 -0.743 364 HE1 TYR 48 HE2 TYR 48 -3.443 -10.296 -2.915 365 HE2 TYR 48 HE1 TYR 48 -5.841 -6.783 -2.582 366 HH TYR 48 HH TYR 48 -5.700 -8.300 -4.497 367 H ASN 49 H ASN 49 -4.118 -9.543 2.517 368 HA ASN 49 HA ASN 49 -3.994 -11.794 2.796 369 HB2 ASN 49 2HB ASN 49 -3.403 -11.617 0.335 370 HB3 ASN 49 1HB ASN 49 -1.714 -11.740 0.805 371 HD21 ASN 49 1HD2 ASN 49 -0.858 -13.721 1.147 372 HD22 ASN 49 2HD2 ASN 49 -1.761 -15.196 1.097 373 H GLY 50 H GLY 50 -2.575 -10.122 4.578 374 HA2 GLY 50 2HA GLY 50 -1.525 -10.822 6.561 375 HA3 GLY 50 1HA GLY 50 -0.823 -12.176 5.692 376 H GLN 51 H GLN 51 -0.017 -9.975 3.589 377 HA GLN 51 HA GLN 51 2.544 -9.485 4.937 378 HB2 GLN 51 2HB GLN 51 3.534 -9.228 2.766 379 HB3 GLN 51 1HB GLN 51 2.555 -10.685 2.751 380 HG2 GLN 51 2HG GLN 51 0.771 -9.472 1.606 381 HG3 GLN 51 1HG GLN 51 1.764 -8.015 1.614 382 HE21 GLN 51 1HE2 GLN 51 0.649 -9.520 -0.604 383 HE22 GLN 51 2HE2 GLN 51 1.986 -9.966 -1.615 384 H THR 52 H THR 52 3.610 -7.461 4.703 385 HA THR 52 HA THR 52 1.723 -5.220 4.634 386 HB THR 52 HB THR 52 4.598 -5.285 5.585 387 HG1 THR 52 HG1 THR 52 3.594 -6.378 7.143 388 HG21 THR 52 3HG2 THR 52 2.439 -3.195 5.919 389 HG22 THR 52 1HG2 THR 52 3.879 -3.048 4.914 390 HG23 THR 52 2HG2 THR 52 4.035 -3.145 6.668 391 H GLY 53 H GLY 53 1.543 -4.182 2.773 392 HA2 GLY 53 2HA GLY 53 3.909 -4.064 1.006 393 HA3 GLY 53 1HA GLY 53 2.270 -4.263 0.399 394 H TYR 54 H TYR 54 3.278 -2.317 -0.818 395 HA TYR 54 HA TYR 54 2.272 0.103 0.499 396 HB2 TYR 54 2HB TYR 54 4.850 -0.027 -1.090 397 HB3 TYR 54 1HB TYR 54 4.131 1.424 -0.414 398 HD1 TYR 54 HD2 TYR 54 5.835 -1.748 0.441 399 HD2 TYR 54 HD1 TYR 54 4.500 2.038 1.851 400 HE1 TYR 54 HE2 TYR 54 7.162 -2.050 2.487 401 HE2 TYR 54 HE1 TYR 54 5.831 1.751 3.898 402 HH TYR 54 HH TYR 54 8.219 -0.618 4.219 403 H ILE 55 H ILE 55 1.104 1.390 -0.865 404 HA ILE 55 HA ILE 55 1.156 0.680 -3.723 405 HB ILE 55 HB ILE 55 -1.213 1.360 -3.879 406 HG12 ILE 55 2HG1 ILE 55 -2.408 1.286 -1.514 407 HG13 ILE 55 1HG1 ILE 55 -0.847 1.879 -0.958 408 HG21 ILE 55 1HG2 ILE 55 -0.674 -0.979 -3.620 409 HG22 ILE 55 2HG2 ILE 55 -2.172 -0.604 -2.766 410 HG23 ILE 55 3HG2 ILE 55 -0.668 -0.809 -1.865 411 HD11 ILE 55 3HD1 ILE 55 -2.373 3.712 -1.342 412 HD12 ILE 55 1HD1 ILE 55 -2.614 3.190 -3.009 413 HD13 ILE 55 2HD1 ILE 55 -1.035 3.778 -2.489 414 H GLY 56 H GLY 56 0.733 2.447 -5.204 415 HA2 GLY 56 2HA GLY 56 2.095 4.830 -4.324 416 HA3 GLY 56 1HA GLY 56 1.501 4.512 -5.945 417 H THR 57 H THR 57 1.145 6.440 -3.344 418 HA THR 57 HA THR 57 -1.620 6.606 -2.897 419 HB THR 57 HB THR 57 -0.000 9.070 -2.606 420 HG1 THR 57 HG1 THR 57 1.324 8.172 -1.049 421 HG21 THR 57 3HG2 THR 57 -2.218 8.853 -1.606 422 HG22 THR 57 1HG2 THR 57 -0.987 9.000 -0.354 423 HG23 THR 57 2HG2 THR 57 -1.692 7.423 -0.718 424 H ARG 58 H ARG 58 0.209 7.594 -5.582 425 HA ARG 58 HA ARG 58 -1.317 9.826 -6.421 426 HB2 ARG 58 2HB ARG 58 0.904 8.314 -7.408 427 HB3 ARG 58 1HB ARG 58 -0.279 8.502 -8.698 428 HG2 ARG 58 2HG ARG 58 -0.297 10.949 -8.211 429 HG3 ARG 58 1HG ARG 58 1.056 10.678 -7.112 430 HD2 ARG 58 2HD ARG 58 2.435 9.891 -8.911 431 HD3 ARG 58 1HD ARG 58 1.068 9.912 -10.027 432 HE ARG 58 HE ARG 58 1.792 12.449 -8.794 433 HH11 ARG 58 1HH1 ARG 58 2.044 10.350 -11.584 434 HH12 ARG 58 2HH1 ARG 58 2.423 11.634 -12.686 435 HH21 ARG 58 1HH2 ARG 58 2.239 14.158 -10.243 436 HH22 ARG 58 2HH2 ARG 58 2.524 13.805 -11.922 437 H TYR 59 H TYR 59 -1.712 6.348 -6.821 438 HA TYR 59 HA TYR 59 -4.147 6.898 -8.372 439 HB2 TYR 59 2HB TYR 59 -1.822 5.311 -9.128 440 HB3 TYR 59 1HB TYR 59 -3.329 4.412 -9.250 441 HD1 TYR 59 HD2 TYR 59 -1.451 7.313 -10.507 442 HD2 TYR 59 HD1 TYR 59 -4.989 4.986 -10.888 443 HE1 TYR 59 HE2 TYR 59 -1.933 8.409 -12.657 444 HE2 TYR 59 HE1 TYR 59 -5.481 6.073 -13.034 445 HH TYR 59 HH TYR 59 -4.977 8.013 -14.272 446 H LEU 60 H LEU 60 -5.837 6.258 -7.352 447 HA LEU 60 HA LEU 60 -6.078 3.537 -6.365 448 HB2 LEU 60 2HB LEU 60 -6.400 5.957 -4.571 449 HB3 LEU 60 1HB LEU 60 -7.188 4.431 -4.228 450 HG LEU 60 HG LEU 60 -4.202 4.864 -4.387 451 HD11 LEU 60 1HD1 LEU 60 -4.250 4.514 -1.970 452 HD12 LEU 60 2HD1 LEU 60 -6.010 4.410 -2.013 453 HD13 LEU 60 3HD1 LEU 60 -5.206 5.925 -2.426 454 HD21 LEU 60 3HD2 LEU 60 -5.806 2.436 -3.596 455 HD22 LEU 60 1HD2 LEU 60 -4.051 2.589 -3.515 456 HD23 LEU 60 2HD2 LEU 60 -4.868 2.616 -5.078 457 H SER 61 H SER 61 -8.292 2.920 -6.228 458 HA SER 61 HA SER 61 -10.074 4.646 -7.752 459 HB2 SER 61 2HB SER 61 -9.845 2.241 -8.381 460 HB3 SER 61 1HB SER 61 -10.496 1.797 -6.804 461 HG SER 61 HG SER 61 -12.377 3.141 -7.466 462 H LYS 62 H LYS 62 -11.449 5.923 -6.721 463 HA LYS 62 HA LYS 62 -11.912 5.556 -3.883 464 HB2 LYS 62 2HB LYS 62 -12.777 7.750 -5.759 465 HB3 LYS 62 1HB LYS 62 -13.048 7.744 -4.022 466 HG2 LYS 62 2HG LYS 62 -10.596 7.675 -3.687 467 HG3 LYS 62 1HG LYS 62 -10.392 7.822 -5.435 468 HD2 LYS 62 2HD LYS 62 -11.714 9.925 -5.335 469 HD3 LYS 62 1HD LYS 62 -11.696 9.804 -3.578 470 HE2 LYS 62 2HE LYS 62 -9.231 9.839 -3.628 471 HE3 LYS 62 1HE LYS 62 -9.286 10.041 -5.378 472 HZ1 LYS 62 3HZ LYS 62 -10.591 12.112 -4.965 473 HZ2 LYS 62 1HZ LYS 62 -8.987 12.170 -4.416 474 HZ3 LYS 62 2HZ LYS 62 -10.254 11.941 -3.314 475 H LEU 63 H LEU 63 -14.071 5.624 -2.980 476 HA LEU 63 HA LEU 63 -15.957 4.073 -4.510 477 HB2 LEU 63 2HB LEU 63 -17.331 4.224 -2.400 478 HB3 LEU 63 1HB LEU 63 -15.780 3.428 -2.254 479 HG LEU 63 HG LEU 63 -14.909 5.684 -1.369 480 HD11 LEU 63 1HD1 LEU 63 -16.787 7.076 -2.027 481 HD12 LEU 63 2HD1 LEU 63 -16.593 7.086 -0.274 482 HD13 LEU 63 3HD1 LEU 63 -17.871 6.123 -1.013 483 HD21 LEU 63 3HD2 LEU 63 -16.902 4.101 0.246 484 HD22 LEU 63 1HD2 LEU 63 -15.640 5.148 0.894 485 HD23 LEU 63 2HD2 LEU 63 -15.205 3.689 0.004 486 H GLU 64 H GLU 64 -15.239 7.246 -4.379 487 HA GLU 64 HA GLU 64 -17.948 8.289 -4.531 488 HB2 GLU 64 2HB GLU 64 -15.750 9.350 -3.459 489 HB3 GLU 64 1HB GLU 64 -15.523 9.945 -5.096 490 HG2 GLU 64 2HG GLU 64 -18.050 10.397 -3.533 491 HG3 GLU 64 1HG GLU 64 -16.674 11.496 -3.477 492 H HIS 65 H HIS 65 -18.665 9.494 -6.428 493 HA HIS 65 HA HIS 65 -19.151 9.639 -8.645 494 HB2 HIS 65 2HB HIS 65 -16.230 9.015 -8.790 495 HB3 HIS 65 1HB HIS 65 -17.185 8.839 -10.255 496 HD1 HIS 65 HD1 HIS 65 -16.678 11.555 -7.595 497 HD2 HIS 65 HD2 HIS 65 -17.226 11.100 -11.698 498 HE1 HIS 65 HE1 HIS 65 -16.524 13.864 -8.564 499 HE2 HIS 65 HE2 HIS 65 -16.670 13.543 -11.057 500 H HIS 66 H HIS 66 -19.627 7.334 -7.023 501 HA HIS 66 HA HIS 66 -19.161 4.948 -8.555 502 HB2 HIS 66 2HB HIS 66 -19.421 5.249 -5.978 503 HB3 HIS 66 1HB HIS 66 -21.147 5.205 -6.308 504 HD1 HIS 66 HD1 HIS 66 -19.096 3.069 -4.818 505 HD2 HIS 66 HD2 HIS 66 -21.193 2.660 -8.388 506 HE1 HIS 66 HE1 HIS 66 -19.271 0.596 -5.225 507 HE2 HIS 66 HE2 HIS 66 -20.496 0.368 -7.413 508 H HIS 67 H HIS 67 -20.580 3.855 -9.864 509 HA HIS 67 HA HIS 67 -23.192 5.147 -10.346 510 HB2 HIS 67 2HB HIS 67 -21.397 3.620 -12.236 511 HB3 HIS 67 1HB HIS 67 -23.081 3.976 -12.601 512 HD1 HIS 67 HD1 HIS 67 -23.558 6.180 -13.656 513 HD2 HIS 67 HD2 HIS 67 -19.758 6.000 -11.978 514 HE1 HIS 67 HE1 HIS 67 -22.399 8.291 -14.372 515 HE2 HIS 67 HE2 HIS 67 -20.038 8.029 -13.548 516 H HIS 68 H HIS 68 -25.016 3.940 -10.233 517 HA HIS 68 HA HIS 68 -24.683 1.047 -9.735 518 HB2 HIS 68 2HB HIS 68 -25.550 2.370 -7.779 519 HB3 HIS 68 1HB HIS 68 -26.952 2.798 -8.754 520 HD1 HIS 68 HD1 HIS 68 -28.910 1.308 -8.446 521 HD2 HIS 68 HD2 HIS 68 -25.328 -0.608 -7.542 522 HE1 HIS 68 HE1 HIS 68 -29.552 -0.969 -7.587 523 HE2 HIS 68 HE2 HIS 68 -27.386 -2.007 -6.829 524 H HIS 69 H HIS 69 -26.641 3.563 -11.231 525 HA HIS 69 HA HIS 69 -28.301 1.765 -12.704 526 HB2 HIS 69 2HB HIS 69 -29.077 4.020 -12.261 527 HB3 HIS 69 1HB HIS 69 -27.680 4.706 -13.077 528 HD1 HIS 69 HD1 HIS 69 -30.948 2.991 -13.760 529 HD2 HIS 69 HD2 HIS 69 -27.881 4.871 -15.847 530 HE1 HIS 69 HE1 HIS 69 -31.788 3.250 -16.116 531 HE2 HIS 69 HE2 HIS 69 -29.973 4.518 -17.321 532 H HIS 70 H HIS 70 -27.922 0.791 -14.609 533 HA HIS 70 HA HIS 70 -25.268 1.012 -15.745 534 HB2 HIS 70 2HB HIS 70 -27.608 -0.696 -16.629 535 HB3 HIS 70 1HB HIS 70 -25.950 -0.839 -17.201 536 HD1 HIS 70 HD1 HIS 70 -27.723 -3.041 -15.664 537 HD2 HIS 70 HD2 HIS 70 -24.616 -0.761 -14.097 538 HE1 HIS 70 HE1 HIS 70 -26.868 -4.328 -13.685 539 HE2 HIS 70 HE2 HIS 70 -24.878 -3.021 -12.861 Start of MODEL 17 1 H1 MET 1 1H MET 1 -12.833 24.148 -3.940 2 H2 MET 1 2H MET 1 -14.035 25.001 -4.775 3 H3 MET 1 3H MET 1 -12.948 24.016 -5.628 4 HA MET 1 HA MET 1 -14.974 23.088 -3.679 5 HB2 MET 1 2HB MET 1 -15.683 23.941 -6.011 6 HB3 MET 1 1HB MET 1 -14.865 22.522 -6.639 7 HG2 MET 1 2HG MET 1 -16.939 22.191 -4.529 8 HG3 MET 1 1HG MET 1 -17.433 22.514 -6.186 9 HE1 MET 1 3HE MET 1 -18.140 18.696 -5.897 10 HE2 MET 1 1HE MET 1 -18.788 20.269 -6.360 11 HE3 MET 1 2HE MET 1 -18.395 19.938 -4.672 12 H ILE 2 H ILE 2 -15.142 20.658 -3.739 13 HA ILE 2 HA ILE 2 -12.404 19.669 -3.598 14 HB ILE 2 HB ILE 2 -13.322 17.750 -2.345 15 HG12 ILE 2 2HG1 ILE 2 -15.658 17.924 -3.376 16 HG13 ILE 2 1HG1 ILE 2 -15.577 17.580 -1.654 17 HG21 ILE 2 1HG2 ILE 2 -13.839 19.001 -0.303 18 HG22 ILE 2 2HG2 ILE 2 -14.039 20.465 -1.267 19 HG23 ILE 2 3HG2 ILE 2 -12.464 19.677 -1.177 20 HD11 ILE 2 3HD1 ILE 2 -16.049 19.961 -1.198 21 HD12 ILE 2 1HD1 ILE 2 -17.336 19.158 -2.097 22 HD13 ILE 2 2HD1 ILE 2 -16.214 20.230 -2.934 23 H GLY 3 H GLY 3 -11.574 18.561 -5.211 24 HA2 GLY 3 2HA GLY 3 -13.227 17.197 -7.158 25 HA3 GLY 3 1HA GLY 3 -11.468 17.251 -7.133 26 H ASP 4 H ASP 4 -10.512 16.088 -5.176 27 HA ASP 4 HA ASP 4 -10.192 14.318 -3.819 28 HB2 ASP 4 2HB ASP 4 -12.471 14.891 -2.951 29 HB3 ASP 4 1HB ASP 4 -13.138 13.710 -4.077 30 H TYR 5 H TYR 5 -12.522 13.358 -6.349 31 HA TYR 5 HA TYR 5 -11.454 10.686 -6.396 32 HB2 TYR 5 2HB TYR 5 -13.829 11.036 -6.764 33 HB3 TYR 5 1HB TYR 5 -13.495 12.052 -8.162 34 HD1 TYR 5 HD2 TYR 5 -13.001 8.595 -6.876 35 HD2 TYR 5 HD1 TYR 5 -13.423 11.089 -10.297 36 HE1 TYR 5 HE2 TYR 5 -13.076 6.602 -8.313 37 HE2 TYR 5 HE1 TYR 5 -13.499 9.102 -11.743 38 HH TYR 5 HH TYR 5 -12.872 6.819 -11.752 39 H TYR 6 H TYR 6 -9.757 10.046 -7.493 40 HA TYR 6 HA TYR 6 -9.013 11.456 -9.962 41 HB2 TYR 6 2HB TYR 6 -7.357 9.761 -8.082 42 HB3 TYR 6 1HB TYR 6 -6.789 10.294 -9.658 43 HD1 TYR 6 HD2 TYR 6 -6.684 12.817 -10.084 44 HD2 TYR 6 HD1 TYR 6 -7.090 11.129 -6.198 45 HE1 TYR 6 HE2 TYR 6 -5.861 14.909 -9.097 46 HE2 TYR 6 HE1 TYR 6 -6.269 13.224 -5.201 47 HH TYR 6 HH TYR 6 -4.889 15.164 -5.856 48 H ILE 7 H ILE 7 -8.087 10.010 -11.676 49 HA ILE 7 HA ILE 7 -9.211 7.301 -11.583 50 HB ILE 7 HB ILE 7 -10.754 8.578 -12.921 51 HG12 ILE 7 2HG1 ILE 7 -8.979 6.942 -14.745 52 HG13 ILE 7 1HG1 ILE 7 -10.176 6.268 -13.643 53 HG21 ILE 7 1HG2 ILE 7 -10.094 9.756 -14.949 54 HG22 ILE 7 2HG2 ILE 7 -8.401 9.398 -14.613 55 HG23 ILE 7 3HG2 ILE 7 -9.316 10.442 -13.523 56 HD11 ILE 7 3HD1 ILE 7 -11.035 6.339 -15.896 57 HD12 ILE 7 1HD1 ILE 7 -10.729 8.074 -15.988 58 HD13 ILE 7 2HD1 ILE 7 -11.939 7.448 -14.867 59 H ASN 8 H ASN 8 -7.742 5.821 -11.946 60 HA ASN 8 HA ASN 8 -5.085 6.584 -12.767 61 HB2 ASN 8 2HB ASN 8 -6.159 3.857 -12.018 62 HB3 ASN 8 1HB ASN 8 -4.465 4.287 -12.200 63 HD21 ASN 8 1HD2 ASN 8 -3.974 3.689 -10.123 64 HD22 ASN 8 2HD2 ASN 8 -4.475 4.599 -8.742 65 H ALA 9 H ALA 9 -3.866 5.351 -14.306 66 HA ALA 9 HA ALA 9 -5.255 3.725 -16.252 67 HB1 ALA 9 3HB ALA 9 -3.796 6.233 -17.103 68 HB2 ALA 9 1HB ALA 9 -5.543 5.995 -17.157 69 HB3 ALA 9 2HB ALA 9 -4.488 5.017 -18.176 70 H SER 10 H SER 10 -3.602 2.793 -17.802 71 HA SER 10 HA SER 10 -1.682 1.644 -18.202 72 HB2 SER 10 2HB SER 10 -0.359 3.675 -16.380 73 HB3 SER 10 1HB SER 10 0.445 2.636 -17.556 74 HG SER 10 HG SER 10 0.185 4.357 -18.771 75 H ALA 11 H ALA 11 -3.441 0.907 -16.056 76 HA ALA 11 HA ALA 11 -3.606 -0.546 -14.320 77 HB1 ALA 11 3HB ALA 11 -1.794 -2.144 -13.934 78 HB2 ALA 11 1HB ALA 11 -0.720 -1.180 -14.947 79 HB3 ALA 11 2HB ALA 11 -2.129 -1.966 -15.656 80 H LEU 12 H LEU 12 -1.536 -1.239 -12.398 81 HA LEU 12 HA LEU 12 -0.701 -0.530 -10.408 82 HB2 LEU 12 2HB LEU 12 0.847 0.637 -12.013 83 HB3 LEU 12 1HB LEU 12 -0.151 2.067 -11.853 84 HG LEU 12 HG LEU 12 0.387 2.156 -9.442 85 HD11 LEU 12 1HD1 LEU 12 2.200 0.763 -8.569 86 HD12 LEU 12 2HD1 LEU 12 2.243 -0.129 -10.091 87 HD13 LEU 12 3HD1 LEU 12 0.813 -0.212 -9.062 88 HD21 LEU 12 3HD2 LEU 12 2.712 2.873 -9.717 89 HD22 LEU 12 1HD2 LEU 12 1.694 3.445 -11.037 90 HD23 LEU 12 2HD2 LEU 12 2.771 2.071 -11.287 91 H ASN 13 H ASN 13 -3.517 -0.053 -11.087 92 HA ASN 13 HA ASN 13 -4.488 2.399 -10.184 93 HB2 ASN 13 2HB ASN 13 -5.879 0.766 -11.365 94 HB3 ASN 13 1HB ASN 13 -5.787 -0.326 -9.986 95 HD21 ASN 13 1HD2 ASN 13 -7.165 2.584 -11.249 96 HD22 ASN 13 2HD2 ASN 13 -8.348 2.804 -10.012 97 H VAL 14 H VAL 14 -3.886 -0.574 -8.412 98 HA VAL 14 HA VAL 14 -3.758 1.002 -5.943 99 HB VAL 14 HB VAL 14 -4.207 -1.986 -6.171 100 HG11 VAL 14 1HG1 VAL 14 -4.352 -0.161 -3.775 101 HG12 VAL 14 2HG1 VAL 14 -3.050 -1.296 -4.129 102 HG13 VAL 14 3HG1 VAL 14 -4.672 -1.895 -3.783 103 HG21 VAL 14 3HG2 VAL 14 -6.165 -0.805 -6.976 104 HG22 VAL 14 1HG2 VAL 14 -6.183 0.199 -5.526 105 HG23 VAL 14 2HG2 VAL 14 -6.497 -1.531 -5.404 106 H ARG 15 H ARG 15 -2.565 -2.104 -7.146 107 HA ARG 15 HA ARG 15 0.175 -1.082 -7.129 108 HB2 ARG 15 2HB ARG 15 -0.781 -3.628 -5.824 109 HB3 ARG 15 1HB ARG 15 0.886 -3.415 -6.330 110 HG2 ARG 15 2HG ARG 15 -0.535 -1.610 -4.383 111 HG3 ARG 15 1HG ARG 15 0.470 -2.982 -3.918 112 HD2 ARG 15 2HD ARG 15 1.878 -1.115 -3.739 113 HD3 ARG 15 1HD ARG 15 2.327 -1.877 -5.262 114 HE ARG 15 HE ARG 15 0.415 0.046 -5.862 115 HH11 ARG 15 1HH1 ARG 15 3.603 0.004 -4.399 116 HH12 ARG 15 2HH1 ARG 15 4.051 1.560 -5.020 117 HH21 ARG 15 1HH2 ARG 15 0.987 2.100 -6.671 118 HH22 ARG 15 2HH2 ARG 15 2.553 2.760 -6.314 119 H SER 16 H SER 16 1.381 -3.456 -8.021 120 HA SER 16 HA SER 16 1.752 -4.721 -9.851 121 HB2 SER 16 2HB SER 16 -0.402 -5.788 -9.304 122 HB3 SER 16 1HB SER 16 -1.250 -4.565 -10.248 123 HG SER 16 HG SER 16 -0.528 -5.440 -12.080 124 H GLY 17 H GLY 17 2.835 -2.762 -10.568 125 HA2 GLY 17 2HA GLY 17 2.230 -2.184 -13.253 126 HA3 GLY 17 1HA GLY 17 1.731 -0.833 -12.240 127 H GLU 18 H GLU 18 3.467 0.104 -13.761 128 HA GLU 18 HA GLU 18 6.182 -0.519 -13.139 129 HB2 GLU 18 2HB GLU 18 4.961 1.802 -14.641 130 HB3 GLU 18 1HB GLU 18 6.690 1.507 -14.510 131 HG2 GLU 18 2HG GLU 18 6.488 -0.568 -15.693 132 HG3 GLU 18 1HG GLU 18 4.731 -0.443 -15.693 133 H GLY 19 H GLY 19 6.216 -0.335 -10.890 134 HA2 GLY 19 2HA GLY 19 6.729 2.402 -9.997 135 HA3 GLY 19 1HA GLY 19 5.547 1.456 -9.100 136 H THR 20 H THR 20 6.241 -0.393 -7.947 137 HA THR 20 HA THR 20 9.155 -0.512 -7.543 138 HB THR 20 HB THR 20 7.157 -1.145 -5.383 139 HG1 THR 20 HG1 THR 20 8.399 1.400 -5.751 140 HG21 THR 20 3HG2 THR 20 10.048 -0.272 -5.344 141 HG22 THR 20 1HG2 THR 20 9.437 -1.894 -5.011 142 HG23 THR 20 2HG2 THR 20 9.055 -0.565 -3.917 143 H ASN 21 H ASN 21 6.297 -2.392 -6.582 144 HA ASN 21 HA ASN 21 7.442 -4.739 -7.922 145 HB2 ASN 21 2HB ASN 21 6.224 -4.627 -5.154 146 HB3 ASN 21 1HB ASN 21 6.399 -6.125 -6.054 147 HD21 ASN 21 1HD2 ASN 21 7.794 -7.080 -4.619 148 HD22 ASN 21 2HD2 ASN 21 9.411 -6.525 -4.363 149 H TYR 22 H TYR 22 5.995 -5.902 -9.094 150 HA TYR 22 HA TYR 22 3.351 -4.640 -9.279 151 HB2 TYR 22 2HB TYR 22 3.500 -5.698 -11.683 152 HB3 TYR 22 1HB TYR 22 4.276 -4.164 -11.317 153 HD1 TYR 22 HD2 TYR 22 6.713 -3.998 -11.174 154 HD2 TYR 22 HD1 TYR 22 4.806 -7.692 -12.107 155 HE1 TYR 22 HE2 TYR 22 8.854 -4.902 -11.977 156 HE2 TYR 22 HE1 TYR 22 6.943 -8.598 -12.916 157 HH TYR 22 HH TYR 22 9.953 -6.925 -12.431 158 H ARG 23 H ARG 23 4.553 -7.265 -7.926 159 HA ARG 23 HA ARG 23 2.282 -8.939 -8.783 160 HB2 ARG 23 2HB ARG 23 4.510 -9.915 -9.211 161 HB3 ARG 23 1HB ARG 23 4.863 -9.836 -7.489 162 HG2 ARG 23 2HG ARG 23 2.983 -11.350 -7.052 163 HG3 ARG 23 1HG ARG 23 2.680 -11.449 -8.786 164 HD2 ARG 23 2HD ARG 23 4.836 -12.448 -9.149 165 HD3 ARG 23 1HD ARG 23 5.255 -12.244 -7.446 166 HE ARG 23 HE ARG 23 3.157 -13.747 -7.128 167 HH11 ARG 23 1HH1 ARG 23 5.506 -13.988 -9.720 168 HH12 ARG 23 2HH1 ARG 23 5.329 -15.712 -9.893 169 HH21 ARG 23 1HH2 ARG 23 2.905 -15.995 -7.368 170 HH22 ARG 23 2HH2 ARG 23 3.851 -16.853 -8.545 171 H ILE 24 H ILE 24 3.114 -6.895 -6.370 172 HA ILE 24 HA ILE 24 2.875 -8.362 -4.006 173 HB ILE 24 HB ILE 24 2.149 -5.461 -4.445 174 HG12 ILE 24 2HG1 ILE 24 4.448 -5.930 -5.095 175 HG13 ILE 24 1HG1 ILE 24 4.424 -5.020 -3.589 176 HG21 ILE 24 1HG2 ILE 24 1.212 -6.303 -2.372 177 HG22 ILE 24 2HG2 ILE 24 2.559 -5.214 -2.038 178 HG23 ILE 24 3HG2 ILE 24 2.781 -6.959 -1.906 179 HD11 ILE 24 3HD1 ILE 24 4.846 -7.983 -3.849 180 HD12 ILE 24 1HD1 ILE 24 4.833 -7.068 -2.341 181 HD13 ILE 24 2HD1 ILE 24 6.093 -6.775 -3.540 182 H ILE 25 H ILE 25 0.333 -6.383 -5.579 183 HA ILE 25 HA ILE 25 -1.645 -8.173 -4.337 184 HB ILE 25 HB ILE 25 -1.952 -5.183 -4.589 185 HG12 ILE 25 2HG1 ILE 25 -2.319 -6.099 -1.936 186 HG13 ILE 25 1HG1 ILE 25 -0.800 -6.762 -2.530 187 HG21 ILE 25 1HG2 ILE 25 -4.065 -5.519 -3.363 188 HG22 ILE 25 2HG2 ILE 25 -3.849 -7.260 -3.549 189 HG23 ILE 25 3HG2 ILE 25 -4.060 -6.239 -4.973 190 HD11 ILE 25 3HD1 ILE 25 -0.029 -4.534 -3.089 191 HD12 ILE 25 1HD1 ILE 25 -0.489 -4.633 -1.391 192 HD13 ILE 25 2HD1 ILE 25 -1.563 -3.853 -2.550 193 H GLY 26 H GLY 26 -1.972 -5.352 -6.443 194 HA2 GLY 26 2HA GLY 26 -2.121 -6.216 -8.935 195 HA3 GLY 26 1HA GLY 26 -3.578 -6.945 -8.268 196 H ALA 27 H ALA 27 -4.404 -5.478 -10.091 197 HA ALA 27 HA ALA 27 -5.056 -2.866 -8.885 198 HB1 ALA 27 3HB ALA 27 -3.668 -2.569 -10.863 199 HB2 ALA 27 1HB ALA 27 -5.302 -1.976 -11.162 200 HB3 ALA 27 2HB ALA 27 -4.795 -3.533 -11.818 201 H LEU 28 H LEU 28 -6.933 -3.513 -7.891 202 HA LEU 28 HA LEU 28 -9.094 -4.328 -9.703 203 HB2 LEU 28 2HB LEU 28 -10.199 -5.438 -7.804 204 HB3 LEU 28 1HB LEU 28 -8.659 -6.163 -8.209 205 HG LEU 28 HG LEU 28 -8.945 -4.207 -5.932 206 HD11 LEU 28 1HD1 LEU 28 -9.213 -7.207 -5.843 207 HD12 LEU 28 2HD1 LEU 28 -10.502 -6.040 -5.547 208 HD13 LEU 28 3HD1 LEU 28 -9.130 -6.137 -4.444 209 HD21 LEU 28 3HD2 LEU 28 -6.923 -5.332 -5.120 210 HD22 LEU 28 1HD2 LEU 28 -6.670 -4.620 -6.714 211 HD23 LEU 28 2HD2 LEU 28 -6.921 -6.359 -6.554 212 HA PRO 29 HA PRO 29 -10.213 -0.220 -8.043 213 HB2 PRO 29 2HB PRO 29 -11.113 0.426 -10.708 214 HB3 PRO 29 1HB PRO 29 -9.727 1.079 -9.832 215 HG2 PRO 29 2HG PRO 29 -9.489 -0.498 -12.047 216 HG3 PRO 29 1HG PRO 29 -8.264 -0.419 -10.763 217 HD2 PRO 29 2HD PRO 29 -10.432 -2.459 -11.186 218 HD3 PRO 29 1HD PRO 29 -8.715 -2.710 -10.784 219 H GLN 30 H GLN 30 -11.950 -2.827 -8.926 220 HA GLN 30 HA GLN 30 -14.447 -1.560 -9.604 221 HB2 GLN 30 2HB GLN 30 -15.327 -3.874 -9.698 222 HB3 GLN 30 1HB GLN 30 -13.911 -3.630 -10.706 223 HG2 GLN 30 2HG GLN 30 -12.538 -4.647 -8.882 224 HG3 GLN 30 1HG GLN 30 -14.043 -5.039 -8.052 225 HE21 GLN 30 1HE2 GLN 30 -13.630 -5.106 -11.518 226 HE22 GLN 30 2HE2 GLN 30 -13.755 -6.822 -11.706 227 H GLY 31 H GLY 31 -14.006 -0.419 -7.357 228 HA2 GLY 31 2HA GLY 31 -15.526 0.103 -5.630 229 HA3 GLY 31 1HA GLY 31 -16.079 -1.560 -5.644 230 H GLN 32 H GLN 32 -13.367 -2.667 -5.483 231 HA GLN 32 HA GLN 32 -12.887 -2.031 -2.647 232 HB2 GLN 32 2HB GLN 32 -12.373 -4.658 -4.059 233 HB3 GLN 32 1HB GLN 32 -12.172 -4.339 -2.340 234 HG2 GLN 32 2HG GLN 32 -14.620 -3.852 -2.228 235 HG3 GLN 32 1HG GLN 32 -14.744 -4.400 -3.899 236 HE21 GLN 32 1HE2 GLN 32 -16.009 -5.473 -1.537 237 HE22 GLN 32 2HE2 GLN 32 -15.492 -7.123 -1.401 238 H LYS 33 H LYS 33 -10.521 -3.395 -2.296 239 HA LYS 33 HA LYS 33 -8.589 -3.114 -4.287 240 HB2 LYS 33 2HB LYS 33 -7.245 -1.244 -3.162 241 HB3 LYS 33 1HB LYS 33 -8.621 -0.773 -4.146 242 HG2 LYS 33 2HG LYS 33 -9.955 -0.609 -2.024 243 HG3 LYS 33 1HG LYS 33 -8.440 -0.831 -1.147 244 HD2 LYS 33 2HD LYS 33 -8.653 1.477 -1.230 245 HD3 LYS 33 1HD LYS 33 -7.582 1.133 -2.585 246 HE2 LYS 33 2HE LYS 33 -10.559 1.588 -2.775 247 HE3 LYS 33 1HE LYS 33 -9.320 2.781 -3.150 248 HZ1 LYS 33 3HZ LYS 33 -9.914 0.262 -4.607 249 HZ2 LYS 33 1HZ LYS 33 -8.506 1.172 -4.868 250 HZ3 LYS 33 2HZ LYS 33 -10.018 1.855 -5.181 251 H VAL 34 H VAL 34 -7.996 -2.149 -0.937 252 HA VAL 34 HA VAL 34 -7.266 -4.889 -0.239 253 HB VAL 34 HB VAL 34 -5.385 -2.584 0.335 254 HG11 VAL 34 1HG1 VAL 34 -3.842 -4.379 1.042 255 HG12 VAL 34 2HG1 VAL 34 -5.131 -5.555 0.797 256 HG13 VAL 34 3HG1 VAL 34 -5.301 -4.303 2.026 257 HG21 VAL 34 3HG2 VAL 34 -3.837 -3.585 -1.258 258 HG22 VAL 34 1HG2 VAL 34 -5.335 -3.099 -2.050 259 HG23 VAL 34 2HG2 VAL 34 -5.043 -4.798 -1.682 260 H GLN 35 H GLN 35 -6.431 -1.931 1.448 261 HA GLN 35 HA GLN 35 -8.733 -1.954 3.174 262 HB2 GLN 35 2HB GLN 35 -6.055 -2.911 4.149 263 HB3 GLN 35 1HB GLN 35 -7.132 -2.055 5.241 264 HG2 GLN 35 2HG GLN 35 -7.752 -4.613 3.783 265 HG3 GLN 35 1HG GLN 35 -7.343 -4.458 5.492 266 HE21 GLN 35 1HE2 GLN 35 -8.846 -3.507 6.898 267 HE22 GLN 35 2HE2 GLN 35 -10.524 -3.387 6.487 268 H VAL 36 H VAL 36 -5.488 -0.802 2.511 269 HA VAL 36 HA VAL 36 -4.396 1.137 2.839 270 HB VAL 36 HB VAL 36 -5.550 1.701 0.819 271 HG11 VAL 36 1HG1 VAL 36 -7.798 2.810 2.490 272 HG12 VAL 36 2HG1 VAL 36 -7.863 1.344 1.514 273 HG13 VAL 36 3HG1 VAL 36 -7.653 2.912 0.735 274 HG21 VAL 36 3HG2 VAL 36 -4.160 3.419 1.769 275 HG22 VAL 36 1HG2 VAL 36 -5.499 4.008 2.754 276 HG23 VAL 36 2HG2 VAL 36 -5.563 4.158 0.999 277 H ILE 37 H ILE 37 -3.914 1.360 4.909 278 HA ILE 37 HA ILE 37 -5.892 2.230 6.830 279 HB ILE 37 HB ILE 37 -2.935 1.757 7.243 280 HG12 ILE 37 2HG1 ILE 37 -4.844 -0.236 8.244 281 HG13 ILE 37 1HG1 ILE 37 -4.784 -0.126 6.488 282 HG21 ILE 37 1HG2 ILE 37 -3.537 1.506 9.599 283 HG22 ILE 37 2HG2 ILE 37 -5.220 1.876 9.213 284 HG23 ILE 37 3HG2 ILE 37 -3.972 3.105 8.994 285 HD11 ILE 37 3HD1 ILE 37 -3.263 -1.814 7.295 286 HD12 ILE 37 1HD1 ILE 37 -2.454 -0.628 8.319 287 HD13 ILE 37 2HD1 ILE 37 -2.365 -0.483 6.565 288 H SER 38 H SER 38 -2.700 3.438 5.783 289 HA SER 38 HA SER 38 -3.522 6.162 5.782 290 HB2 SER 38 2HB SER 38 -3.364 5.714 8.250 291 HB3 SER 38 1HB SER 38 -1.659 5.341 8.028 292 HG SER 38 HG SER 38 -2.982 7.817 7.593 293 H GLU 39 H GLU 39 -1.503 7.604 5.578 294 HA GLU 39 HA GLU 39 0.486 6.123 4.000 295 HB2 GLU 39 2HB GLU 39 0.556 7.989 2.418 296 HB3 GLU 39 1HB GLU 39 -1.037 7.259 2.484 297 HG2 GLU 39 2HG GLU 39 -1.949 9.083 3.613 298 HG3 GLU 39 1HG GLU 39 -0.363 9.707 4.070 299 H ASN 40 H ASN 40 2.508 7.236 3.683 300 HA ASN 40 HA ASN 40 3.134 9.481 5.396 301 HB2 ASN 40 2HB ASN 40 3.463 7.534 6.895 302 HB3 ASN 40 1HB ASN 40 4.595 6.848 5.737 303 HD21 ASN 40 1HD2 ASN 40 4.060 9.276 8.143 304 HD22 ASN 40 2HD2 ASN 40 5.705 9.805 8.278 305 H SER 41 H SER 41 4.082 10.768 4.011 306 HA SER 41 HA SER 41 5.672 11.632 2.656 307 HB2 SER 41 2HB SER 41 7.218 10.273 4.079 308 HB3 SER 41 1HB SER 41 7.083 8.967 2.903 309 HG SER 41 HG SER 41 7.704 11.330 1.708 310 H GLY 42 H GLY 42 3.362 9.995 1.662 311 HA2 GLY 42 2HA GLY 42 2.769 10.276 -0.675 312 HA3 GLY 42 1HA GLY 42 4.404 9.795 -1.094 313 H TRP 43 H TRP 43 4.168 7.582 0.993 314 HA TRP 43 HA TRP 43 2.592 5.767 -0.707 315 HB2 TRP 43 2HB TRP 43 5.087 5.362 0.898 316 HB3 TRP 43 1HB TRP 43 4.022 3.995 0.591 317 HD1 TRP 43 HD1 TRP 43 3.899 6.180 -2.367 318 HE1 TRP 43 HE1 TRP 43 5.451 5.288 -4.224 319 HE3 TRP 43 HE3 TRP 43 6.531 2.783 0.370 320 HZ2 TRP 43 HZ2 TRP 43 7.530 3.386 -4.477 321 HZ3 TRP 43 HZ3 TRP 43 8.290 1.459 -0.744 322 HH2 TRP 43 HH2 TRP 43 8.773 1.755 -3.120 323 H SER 44 H SER 44 1.174 4.325 0.196 324 HA SER 44 HA SER 44 0.453 4.865 3.005 325 HB2 SER 44 2HB SER 44 -1.330 3.674 0.870 326 HB3 SER 44 1HB SER 44 -1.810 4.237 2.472 327 HG SER 44 HG SER 44 -0.552 6.034 0.734 328 H LYS 45 H LYS 45 0.501 3.209 4.442 329 HA LYS 45 HA LYS 45 1.674 0.739 3.564 330 HB2 LYS 45 2HB LYS 45 2.334 2.045 5.610 331 HB3 LYS 45 1HB LYS 45 0.799 1.570 6.323 332 HG2 LYS 45 2HG LYS 45 1.526 -0.821 5.846 333 HG3 LYS 45 1HG LYS 45 3.135 -0.139 5.596 334 HD2 LYS 45 2HD LYS 45 2.986 -0.836 7.846 335 HD3 LYS 45 1HD LYS 45 2.944 0.915 7.844 336 HE2 LYS 45 2HE LYS 45 0.678 0.984 8.357 337 HE3 LYS 45 1HE LYS 45 0.411 -0.675 7.817 338 HZ1 LYS 45 3HZ LYS 45 1.904 0.140 10.258 339 HZ2 LYS 45 1HZ LYS 45 1.680 -1.455 9.726 340 HZ3 LYS 45 2HZ LYS 45 0.344 -0.540 10.216 341 H ILE 46 H ILE 46 0.632 -1.132 3.275 342 HA ILE 46 HA ILE 46 -1.876 -1.588 4.706 343 HB ILE 46 HB ILE 46 -3.004 -2.600 2.839 344 HG12 ILE 46 2HG1 ILE 46 -0.875 -3.385 1.684 345 HG13 ILE 46 1HG1 ILE 46 -2.167 -2.815 0.636 346 HG21 ILE 46 1HG2 ILE 46 -3.390 -0.254 3.082 347 HG22 ILE 46 2HG2 ILE 46 -3.350 -0.653 1.365 348 HG23 ILE 46 3HG2 ILE 46 -1.960 0.125 2.123 349 HD11 ILE 46 3HD1 ILE 46 0.255 -1.225 1.446 350 HD12 ILE 46 1HD1 ILE 46 -1.017 -0.697 0.346 351 HD13 ILE 46 2HD1 ILE 46 0.029 -2.045 -0.097 352 H ASN 47 H ASN 47 -2.155 -3.700 5.384 353 HA ASN 47 HA ASN 47 0.063 -5.519 4.816 354 HB2 ASN 47 2HB ASN 47 -2.079 -5.524 6.945 355 HB3 ASN 47 1HB ASN 47 -1.094 -6.948 6.625 356 HD21 ASN 47 1HD2 ASN 47 -0.107 -6.934 8.614 357 HD22 ASN 47 2HD2 ASN 47 1.061 -5.739 9.078 358 H TYR 48 H TYR 48 -0.170 -6.861 3.187 359 HA TYR 48 HA TYR 48 -2.899 -7.665 2.419 360 HB2 TYR 48 2HB TYR 48 -1.630 -6.303 0.734 361 HB3 TYR 48 1HB TYR 48 -0.435 -7.592 0.657 362 HD1 TYR 48 HD2 TYR 48 -4.102 -7.033 0.238 363 HD2 TYR 48 HD1 TYR 48 -0.671 -9.235 -0.949 364 HE1 TYR 48 HE2 TYR 48 -5.438 -8.166 -1.484 365 HE2 TYR 48 HE1 TYR 48 -1.990 -10.376 -2.676 366 HH TYR 48 HH TYR 48 -5.105 -9.342 -3.593 367 H ASN 49 H ASN 49 -3.297 -9.577 3.245 368 HA ASN 49 HA ASN 49 -3.171 -11.776 3.752 369 HB2 ASN 49 2HB ASN 49 -1.060 -11.812 1.582 370 HB3 ASN 49 1HB ASN 49 -1.765 -13.247 2.315 371 HD21 ASN 49 1HD2 ASN 49 -4.435 -12.076 2.499 372 HD22 ASN 49 2HD2 ASN 49 -5.061 -12.044 0.887 373 H GLY 50 H GLY 50 -1.619 -9.882 5.226 374 HA2 GLY 50 2HA GLY 50 -0.563 -10.367 7.273 375 HA3 GLY 50 1HA GLY 50 0.075 -11.843 6.571 376 H GLN 51 H GLN 51 0.931 -10.009 4.170 377 HA GLN 51 HA GLN 51 3.470 -9.320 5.449 378 HB2 GLN 51 2HB GLN 51 4.472 -9.282 3.279 379 HB3 GLN 51 1HB GLN 51 3.496 -10.736 3.396 380 HG2 GLN 51 2HG GLN 51 1.779 -9.774 2.038 381 HG3 GLN 51 1HG GLN 51 2.588 -8.208 2.046 382 HE21 GLN 51 1HE2 GLN 51 4.266 -11.251 1.753 383 HE22 GLN 51 2HE2 GLN 51 4.767 -11.038 0.111 384 H THR 52 H THR 52 4.522 -7.317 5.002 385 HA THR 52 HA THR 52 2.633 -5.114 5.019 386 HB THR 52 HB THR 52 5.640 -4.975 5.305 387 HG1 THR 52 HG1 THR 52 4.881 -6.326 6.930 388 HG21 THR 52 3HG2 THR 52 3.438 -3.120 6.225 389 HG22 THR 52 1HG2 THR 52 4.519 -2.837 4.860 390 HG23 THR 52 2HG2 THR 52 5.165 -2.891 6.500 391 H GLY 53 H GLY 53 2.140 -3.963 3.276 392 HA2 GLY 53 2HA GLY 53 4.162 -3.712 1.138 393 HA3 GLY 53 1HA GLY 53 2.478 -4.049 0.763 394 H TYR 54 H TYR 54 3.581 -1.860 -0.375 395 HA TYR 54 HA TYR 54 2.205 0.311 1.035 396 HB2 TYR 54 2HB TYR 54 4.954 0.506 -0.207 397 HB3 TYR 54 1HB TYR 54 4.012 1.882 0.352 398 HD1 TYR 54 HD1 TYR 54 3.521 2.119 2.784 399 HD2 TYR 54 HD2 TYR 54 6.210 -0.823 1.306 400 HE1 TYR 54 HE1 TYR 54 4.466 1.863 5.037 401 HE2 TYR 54 HE2 TYR 54 7.165 -1.089 3.556 402 HH TYR 54 HH TYR 54 5.702 0.161 6.338 403 H ILE 55 H ILE 55 1.142 1.732 -0.244 404 HA ILE 55 HA ILE 55 1.341 1.343 -3.160 405 HB ILE 55 HB ILE 55 -1.025 2.017 -3.354 406 HG12 ILE 55 2HG1 ILE 55 -2.315 1.687 -1.055 407 HG13 ILE 55 1HG1 ILE 55 -0.789 2.258 -0.388 408 HG21 ILE 55 1HG2 ILE 55 -2.022 -0.055 -2.465 409 HG22 ILE 55 2HG2 ILE 55 -0.536 -0.351 -1.561 410 HG23 ILE 55 3HG2 ILE 55 -0.506 -0.333 -3.324 411 HD11 ILE 55 3HD1 ILE 55 -2.403 4.063 -0.697 412 HD12 ILE 55 1HD1 ILE 55 -2.458 3.716 -2.425 413 HD13 ILE 55 2HD1 ILE 55 -0.963 4.294 -1.689 414 H GLY 56 H GLY 56 0.567 3.382 -4.372 415 HA2 GLY 56 2HA GLY 56 1.873 5.659 -3.031 416 HA3 GLY 56 1HA GLY 56 1.880 5.387 -4.766 417 H THR 57 H THR 57 0.807 7.512 -2.719 418 HA THR 57 HA THR 57 -1.986 7.680 -3.151 419 HB THR 57 HB THR 57 -0.200 10.045 -2.605 420 HG1 THR 57 HG1 THR 57 -1.104 9.018 -0.322 421 HG21 THR 57 3HG2 THR 57 -2.990 9.350 -1.678 422 HG22 THR 57 1HG2 THR 57 -2.603 10.461 -2.991 423 HG23 THR 57 2HG2 THR 57 -2.119 10.845 -1.338 424 H ARG 58 H ARG 58 0.708 8.411 -5.149 425 HA ARG 58 HA ARG 58 -0.201 10.438 -6.793 426 HB2 ARG 58 2HB ARG 58 1.642 8.137 -7.112 427 HB3 ARG 58 1HB ARG 58 1.083 8.908 -8.584 428 HG2 ARG 58 2HG ARG 58 2.411 10.360 -6.309 429 HG3 ARG 58 1HG ARG 58 3.244 9.777 -7.753 430 HD2 ARG 58 2HD ARG 58 1.609 11.147 -9.100 431 HD3 ARG 58 1HD ARG 58 1.081 11.867 -7.581 432 HE ARG 58 HE ARG 58 3.362 12.717 -7.319 433 HH11 ARG 58 1HH1 ARG 58 2.261 11.751 -10.495 434 HH12 ARG 58 2HH1 ARG 58 3.483 12.659 -11.345 435 HH21 ARG 58 1HH2 ARG 58 4.984 13.915 -8.428 436 HH22 ARG 58 2HH2 ARG 58 5.034 13.884 -10.162 437 H TYR 59 H TYR 59 -0.730 6.933 -7.185 438 HA TYR 59 HA TYR 59 -3.057 7.576 -8.854 439 HB2 TYR 59 2HB TYR 59 -1.041 5.349 -9.055 440 HB3 TYR 59 1HB TYR 59 -2.642 5.202 -9.753 441 HD1 TYR 59 HD2 TYR 59 0.264 7.552 -9.773 442 HD2 TYR 59 HD1 TYR 59 -2.921 5.776 -11.961 443 HE1 TYR 59 HE2 TYR 59 1.068 8.648 -11.822 444 HE2 TYR 59 HE1 TYR 59 -2.127 6.866 -14.015 445 HH TYR 59 HH TYR 59 -0.791 8.602 -14.778 446 H LEU 60 H LEU 60 -4.890 7.098 -7.827 447 HA LEU 60 HA LEU 60 -5.205 4.564 -6.472 448 HB2 LEU 60 2HB LEU 60 -5.275 7.185 -4.995 449 HB3 LEU 60 1HB LEU 60 -6.281 5.850 -4.471 450 HG LEU 60 HG LEU 60 -3.267 5.785 -4.671 451 HD11 LEU 60 1HD1 LEU 60 -3.352 5.746 -2.213 452 HD12 LEU 60 2HD1 LEU 60 -5.097 5.995 -2.280 453 HD13 LEU 60 3HD1 LEU 60 -4.004 7.243 -2.880 454 HD21 LEU 60 3HD2 LEU 60 -5.200 3.766 -3.531 455 HD22 LEU 60 1HD2 LEU 60 -3.440 3.645 -3.535 456 HD23 LEU 60 2HD2 LEU 60 -4.330 3.602 -5.057 457 H SER 61 H SER 61 -7.371 3.969 -6.234 458 HA SER 61 HA SER 61 -9.253 5.668 -7.713 459 HB2 SER 61 2HB SER 61 -10.540 3.521 -8.026 460 HB3 SER 61 1HB SER 61 -8.957 3.543 -8.806 461 HG SER 61 HG SER 61 -8.441 1.879 -7.640 462 H LYS 62 H LYS 62 -10.722 6.691 -6.494 463 HA LYS 62 HA LYS 62 -11.360 5.952 -3.833 464 HB2 LYS 62 2HB LYS 62 -12.427 7.907 -5.810 465 HB3 LYS 62 1HB LYS 62 -13.490 7.447 -4.485 466 HG2 LYS 62 2HG LYS 62 -12.199 9.484 -4.000 467 HG3 LYS 62 1HG LYS 62 -11.860 8.182 -2.860 468 HD2 LYS 62 2HD LYS 62 -9.868 7.629 -4.373 469 HD3 LYS 62 1HD LYS 62 -10.140 9.214 -5.099 470 HE2 LYS 62 2HE LYS 62 -9.716 8.748 -2.151 471 HE3 LYS 62 1HE LYS 62 -8.431 9.181 -3.275 472 HZ1 LYS 62 3HZ LYS 62 -9.547 11.241 -3.749 473 HZ2 LYS 62 1HZ LYS 62 -9.322 11.099 -2.074 474 HZ3 LYS 62 2HZ LYS 62 -10.854 10.823 -2.749 475 H LEU 63 H LEU 63 -13.372 5.041 -3.056 476 HA LEU 63 HA LEU 63 -13.731 2.630 -4.567 477 HB2 LEU 63 2HB LEU 63 -14.777 3.451 -1.867 478 HB3 LEU 63 1HB LEU 63 -15.043 1.872 -2.583 479 HG LEU 63 HG LEU 63 -12.428 1.809 -2.738 480 HD11 LEU 63 1HD1 LEU 63 -12.062 4.116 -2.047 481 HD12 LEU 63 2HD1 LEU 63 -11.329 2.981 -0.913 482 HD13 LEU 63 3HD1 LEU 63 -12.846 3.782 -0.502 483 HD21 LEU 63 3HD2 LEU 63 -12.340 0.778 -0.527 484 HD22 LEU 63 1HD2 LEU 63 -13.780 0.285 -1.418 485 HD23 LEU 63 2HD2 LEU 63 -13.905 1.486 -0.135 486 H GLU 64 H GLU 64 -15.293 5.442 -4.965 487 HA GLU 64 HA GLU 64 -17.979 4.416 -5.150 488 HB2 GLU 64 2HB GLU 64 -17.592 6.805 -4.696 489 HB3 GLU 64 1HB GLU 64 -16.815 6.981 -6.262 490 HG2 GLU 64 2HG GLU 64 -19.077 7.821 -6.346 491 HG3 GLU 64 1HG GLU 64 -18.918 6.394 -7.367 492 H HIS 65 H HIS 65 -17.469 2.551 -6.426 493 HA HIS 65 HA HIS 65 -17.462 3.146 -9.303 494 HB2 HIS 65 2HB HIS 65 -15.640 1.278 -7.827 495 HB3 HIS 65 1HB HIS 65 -16.162 0.848 -9.451 496 HD1 HIS 65 HD1 HIS 65 -14.411 1.446 -11.086 497 HD2 HIS 65 HD2 HIS 65 -14.653 4.229 -8.002 498 HE1 HIS 65 HE1 HIS 65 -12.708 3.207 -11.627 499 HE2 HIS 65 HE2 HIS 65 -13.082 5.003 -9.904 500 H HIS 66 H HIS 66 -18.147 1.122 -10.559 501 HA HIS 66 HA HIS 66 -20.644 0.216 -9.469 502 HB2 HIS 66 2HB HIS 66 -19.205 -0.512 -12.029 503 HB3 HIS 66 1HB HIS 66 -20.812 -1.084 -11.600 504 HD1 HIS 66 HD1 HIS 66 -20.305 0.598 -14.149 505 HD2 HIS 66 HD2 HIS 66 -21.542 2.161 -10.493 506 HE1 HIS 66 HE1 HIS 66 -21.442 2.778 -14.685 507 HE2 HIS 66 HE2 HIS 66 -22.082 3.761 -12.454 508 H HIS 67 H HIS 67 -21.274 -1.927 -9.096 509 HA HIS 67 HA HIS 67 -19.066 -3.847 -8.716 510 HB2 HIS 67 2HB HIS 67 -21.543 -3.407 -7.051 511 HB3 HIS 67 1HB HIS 67 -20.627 -4.910 -6.981 512 HD1 HIS 67 HD1 HIS 67 -18.287 -4.833 -5.879 513 HD2 HIS 67 HD2 HIS 67 -20.333 -1.207 -5.808 514 HE1 HIS 67 HE1 HIS 67 -17.059 -3.390 -4.224 515 HE2 HIS 67 HE2 HIS 67 -18.194 -1.140 -4.349 516 H HIS 68 H HIS 68 -19.942 -6.159 -8.698 517 HA HIS 68 HA HIS 68 -20.827 -7.895 -9.837 518 HB2 HIS 68 2HB HIS 68 -22.996 -5.883 -10.162 519 HB3 HIS 68 1HB HIS 68 -23.020 -7.285 -11.227 520 HD1 HIS 68 HD1 HIS 68 -23.807 -9.452 -10.271 521 HD2 HIS 68 HD2 HIS 68 -23.232 -6.532 -7.370 522 HE1 HIS 68 HE1 HIS 68 -24.778 -10.400 -8.154 523 HE2 HIS 68 HE2 HIS 68 -24.211 -8.711 -6.374 524 H HIS 69 H HIS 69 -19.045 -8.014 -11.129 525 HA HIS 69 HA HIS 69 -19.391 -6.979 -13.869 526 HB2 HIS 69 2HB HIS 69 -17.471 -5.962 -12.604 527 HB3 HIS 69 1HB HIS 69 -16.775 -7.569 -12.456 528 HD1 HIS 69 HD1 HIS 69 -15.760 -8.633 -14.626 529 HD2 HIS 69 HD2 HIS 69 -17.154 -4.735 -15.073 530 HE1 HIS 69 HE1 HIS 69 -14.801 -7.810 -16.801 531 HE2 HIS 69 HE2 HIS 69 -15.567 -5.415 -17.004 532 H HIS 70 H HIS 70 -19.519 -8.520 -15.423 533 HA HIS 70 HA HIS 70 -18.443 -11.166 -14.745 534 HB2 HIS 70 2HB HIS 70 -20.218 -12.257 -15.976 535 HB3 HIS 70 1HB HIS 70 -20.908 -11.226 -14.736 536 HD1 HIS 70 HD1 HIS 70 -22.427 -9.314 -15.497 537 HD2 HIS 70 HD2 HIS 70 -20.715 -11.438 -18.635 538 HE1 HIS 70 HE1 HIS 70 -23.690 -8.617 -17.554 539 HE2 HIS 70 HE2 HIS 70 -22.788 -10.095 -19.388 Start of MODEL 18 1 H1 MET 1 1H MET 1 -7.223 5.756 10.490 2 H2 MET 1 2H MET 1 -7.933 6.331 9.063 3 H3 MET 1 3H MET 1 -8.605 6.737 10.567 4 HA MET 1 HA MET 1 -6.591 7.940 11.152 5 HB2 MET 1 2HB MET 1 -5.013 6.745 9.734 6 HB3 MET 1 1HB MET 1 -5.843 7.309 8.290 7 HG2 MET 1 2HG MET 1 -5.242 9.612 8.850 8 HG3 MET 1 1HG MET 1 -4.380 9.034 10.275 9 HE1 MET 1 3HE MET 1 -2.301 10.454 9.374 10 HE2 MET 1 1HE MET 1 -3.179 10.901 7.913 11 HE3 MET 1 2HE MET 1 -1.562 10.211 7.792 12 H ILE 2 H ILE 2 -8.137 8.011 7.935 13 HA ILE 2 HA ILE 2 -9.317 9.609 6.833 14 HB ILE 2 HB ILE 2 -9.428 10.989 9.521 15 HG12 ILE 2 2HG1 ILE 2 -10.608 8.858 9.468 16 HG13 ILE 2 1HG1 ILE 2 -11.761 10.185 9.536 17 HG21 ILE 2 1HG2 ILE 2 -9.669 12.632 7.739 18 HG22 ILE 2 2HG2 ILE 2 -11.204 12.382 8.573 19 HG23 ILE 2 3HG2 ILE 2 -10.932 11.651 6.990 20 HD11 ILE 2 3HD1 ILE 2 -12.173 9.953 7.143 21 HD12 ILE 2 1HD1 ILE 2 -12.496 8.448 8.004 22 HD13 ILE 2 2HD1 ILE 2 -11.012 8.628 7.068 23 H GLY 3 H GLY 3 -8.699 11.225 5.480 24 HA2 GLY 3 2HA GLY 3 -7.406 13.110 4.833 25 HA3 GLY 3 1HA GLY 3 -6.379 12.856 6.243 26 H ASP 4 H ASP 4 -7.419 11.163 3.323 27 HA ASP 4 HA ASP 4 -5.299 9.314 3.330 28 HB2 ASP 4 2HB ASP 4 -6.064 8.974 0.877 29 HB3 ASP 4 1HB ASP 4 -7.184 8.585 2.177 30 H TYR 5 H TYR 5 -5.791 11.390 0.495 31 HA TYR 5 HA TYR 5 -3.232 12.628 0.638 32 HB2 TYR 5 2HB TYR 5 -2.755 10.113 0.191 33 HB3 TYR 5 1HB TYR 5 -3.367 10.439 -1.425 34 HD1 TYR 5 HD2 TYR 5 -2.200 12.344 -2.748 35 HD2 TYR 5 HD1 TYR 5 -0.532 10.495 0.700 36 HE1 TYR 5 HE2 TYR 5 0.033 13.119 -3.417 37 HE2 TYR 5 HE1 TYR 5 1.704 11.270 0.041 38 HH TYR 5 HH TYR 5 2.218 13.639 -2.251 39 H TYR 6 H TYR 6 -5.108 11.102 -1.973 40 HA TYR 6 HA TYR 6 -6.062 13.637 -2.947 41 HB2 TYR 6 2HB TYR 6 -3.607 13.295 -3.743 42 HB3 TYR 6 1HB TYR 6 -4.292 12.097 -4.831 43 HD1 TYR 6 HD1 TYR 6 -4.834 15.646 -3.802 44 HD2 TYR 6 HD2 TYR 6 -4.882 12.792 -6.956 45 HE1 TYR 6 HE1 TYR 6 -5.325 17.439 -5.409 46 HE2 TYR 6 HE2 TYR 6 -5.379 14.579 -8.573 47 HH TYR 6 HH TYR 6 -6.255 16.786 -8.675 48 H ILE 7 H ILE 7 -5.267 10.541 -4.529 49 HA ILE 7 HA ILE 7 -6.540 8.779 -5.194 50 HB ILE 7 HB ILE 7 -8.638 10.103 -3.488 51 HG12 ILE 7 2HG1 ILE 7 -6.977 7.596 -3.155 52 HG13 ILE 7 1HG1 ILE 7 -6.752 9.114 -2.293 53 HG21 ILE 7 1HG2 ILE 7 -8.858 7.459 -4.917 54 HG22 ILE 7 2HG2 ILE 7 -9.791 8.912 -5.267 55 HG23 ILE 7 3HG2 ILE 7 -9.996 8.084 -3.724 56 HD11 ILE 7 3HD1 ILE 7 -9.119 7.269 -2.080 57 HD12 ILE 7 1HD1 ILE 7 -8.962 8.819 -1.253 58 HD13 ILE 7 2HD1 ILE 7 -7.848 7.503 -0.880 59 H ASN 8 H ASN 8 -7.752 8.232 -6.978 60 HA ASN 8 HA ASN 8 -8.897 10.488 -8.480 61 HB2 ASN 8 2HB ASN 8 -6.822 9.497 -9.463 62 HB3 ASN 8 1HB ASN 8 -7.668 7.964 -9.621 63 HD21 ASN 8 1HD2 ASN 8 -6.465 9.717 -11.638 64 HD22 ASN 8 2HD2 ASN 8 -7.725 10.084 -12.763 65 H ALA 9 H ALA 9 -10.912 10.145 -7.483 66 HA ALA 9 HA ALA 9 -13.090 9.595 -7.647 67 HB1 ALA 9 3HB ALA 9 -12.696 9.625 -10.059 68 HB2 ALA 9 1HB ALA 9 -13.917 8.439 -9.601 69 HB3 ALA 9 2HB ALA 9 -12.284 7.910 -10.007 70 H SER 10 H SER 10 -11.835 6.460 -8.780 71 HA SER 10 HA SER 10 -13.729 5.172 -7.028 72 HB2 SER 10 2HB SER 10 -11.724 3.837 -8.851 73 HB3 SER 10 1HB SER 10 -13.236 3.170 -8.234 74 HG SER 10 HG SER 10 -14.317 4.866 -9.437 75 H ALA 11 H ALA 11 -10.240 4.661 -7.580 76 HA ALA 11 HA ALA 11 -8.548 3.949 -6.249 77 HB1 ALA 11 3HB ALA 11 -8.550 4.552 -3.904 78 HB2 ALA 11 1HB ALA 11 -10.284 4.874 -3.964 79 HB3 ALA 11 2HB ALA 11 -9.166 5.888 -4.875 80 H LEU 12 H LEU 12 -8.110 2.523 -4.184 81 HA LEU 12 HA LEU 12 -8.282 0.590 -3.025 82 HB2 LEU 12 2HB LEU 12 -11.229 0.844 -3.607 83 HB3 LEU 12 1HB LEU 12 -10.518 -0.253 -2.440 84 HG LEU 12 HG LEU 12 -10.439 2.763 -2.295 85 HD11 LEU 12 1HD1 LEU 12 -11.927 2.491 -0.386 86 HD12 LEU 12 2HD1 LEU 12 -11.963 0.748 -0.653 87 HD13 LEU 12 3HD1 LEU 12 -12.653 1.837 -1.854 88 HD21 LEU 12 3HD2 LEU 12 -9.469 0.712 -0.309 89 HD22 LEU 12 1HD2 LEU 12 -9.447 2.463 -0.105 90 HD23 LEU 12 2HD2 LEU 12 -8.436 1.705 -1.336 91 H ASN 13 H ASN 13 -8.727 0.712 -6.234 92 HA ASN 13 HA ASN 13 -9.158 -2.186 -6.498 93 HB2 ASN 13 2HB ASN 13 -10.125 0.098 -8.170 94 HB3 ASN 13 1HB ASN 13 -9.877 -1.480 -8.911 95 HD21 ASN 13 1HD2 ASN 13 -12.331 0.083 -8.398 96 HD22 ASN 13 2HD2 ASN 13 -13.360 -0.974 -7.503 97 H VAL 14 H VAL 14 -6.647 -0.353 -6.344 98 HA VAL 14 HA VAL 14 -5.534 -0.237 -8.945 99 HB VAL 14 HB VAL 14 -4.091 -0.106 -6.296 100 HG11 VAL 14 1HG1 VAL 14 -3.323 0.895 -9.032 101 HG12 VAL 14 2HG1 VAL 14 -2.618 -0.488 -8.196 102 HG13 VAL 14 3HG1 VAL 14 -2.399 1.138 -7.548 103 HG21 VAL 14 3HG2 VAL 14 -4.313 2.330 -6.507 104 HG22 VAL 14 1HG2 VAL 14 -5.886 1.541 -6.386 105 HG23 VAL 14 2HG2 VAL 14 -5.303 2.110 -7.950 106 H ARG 15 H ARG 15 -4.612 -2.210 -6.140 107 HA ARG 15 HA ARG 15 -3.530 -4.175 -5.910 108 HB2 ARG 15 2HB ARG 15 -5.272 -5.172 -7.260 109 HB3 ARG 15 1HB ARG 15 -4.482 -4.650 -8.739 110 HG2 ARG 15 2HG ARG 15 -2.612 -6.147 -8.287 111 HG3 ARG 15 1HG ARG 15 -3.374 -6.653 -6.780 112 HD2 ARG 15 2HD ARG 15 -4.977 -6.898 -9.258 113 HD3 ARG 15 1HD ARG 15 -3.628 -8.014 -9.063 114 HE ARG 15 HE ARG 15 -4.676 -8.869 -7.095 115 HH11 ARG 15 1HH1 ARG 15 -6.659 -6.574 -8.850 116 HH12 ARG 15 2HH1 ARG 15 -8.146 -7.197 -8.218 117 HH21 ARG 15 1HH2 ARG 15 -6.623 -9.709 -6.288 118 HH22 ARG 15 2HH2 ARG 15 -8.140 -9.008 -6.783 119 H SER 16 H SER 16 -1.686 -2.689 -5.798 120 HA SER 16 HA SER 16 0.488 -2.193 -6.161 121 HB2 SER 16 2HB SER 16 1.874 -4.162 -6.888 122 HB3 SER 16 1HB SER 16 0.776 -4.474 -5.548 123 HG SER 16 HG SER 16 -0.121 -4.980 -8.152 124 H GLY 17 H GLY 17 -1.266 -1.356 -8.319 125 HA2 GLY 17 2HA GLY 17 0.199 -1.736 -10.771 126 HA3 GLY 17 1HA GLY 17 -1.176 -0.667 -10.529 127 H GLU 18 H GLU 18 0.686 0.159 -8.077 128 HA GLU 18 HA GLU 18 2.678 1.730 -9.467 129 HB2 GLU 18 2HB GLU 18 0.740 3.192 -9.613 130 HB3 GLU 18 1HB GLU 18 0.441 3.015 -7.889 131 HG2 GLU 18 2HG GLU 18 1.514 5.165 -8.587 132 HG3 GLU 18 1HG GLU 18 2.360 4.270 -7.327 133 H GLY 19 H GLY 19 4.391 1.109 -8.350 134 HA2 GLY 19 2HA GLY 19 4.986 1.923 -5.793 135 HA3 GLY 19 1HA GLY 19 4.300 0.313 -5.618 136 H THR 20 H THR 20 6.628 0.129 -4.735 137 HA THR 20 HA THR 20 8.666 -0.128 -6.764 138 HB THR 20 HB THR 20 9.325 0.713 -4.575 139 HG1 THR 20 HG1 THR 20 11.090 -0.270 -5.234 140 HG21 THR 20 3HG2 THR 20 9.305 -0.737 -2.587 141 HG22 THR 20 1HG2 THR 20 8.442 -1.970 -3.505 142 HG23 THR 20 2HG2 THR 20 7.675 -0.415 -3.183 143 H ASN 21 H ASN 21 6.376 -2.150 -5.198 144 HA ASN 21 HA ASN 21 7.566 -4.498 -6.503 145 HB2 ASN 21 2HB ASN 21 7.796 -4.525 -3.985 146 HB3 ASN 21 1HB ASN 21 6.041 -4.532 -3.883 147 HD21 ASN 21 1HD2 ASN 21 8.123 -6.477 -3.048 148 HD22 ASN 21 2HD2 ASN 21 7.643 -7.978 -3.770 149 H TYR 22 H TYR 22 6.176 -5.680 -7.724 150 HA TYR 22 HA TYR 22 3.543 -4.440 -8.110 151 HB2 TYR 22 2HB TYR 22 4.936 -6.329 -10.004 152 HB3 TYR 22 1HB TYR 22 3.618 -5.217 -10.358 153 HD1 TYR 22 HD2 TYR 22 4.439 -2.669 -9.365 154 HD2 TYR 22 HD1 TYR 22 6.839 -5.706 -11.131 155 HE1 TYR 22 HE2 TYR 22 6.070 -0.969 -10.052 156 HE2 TYR 22 HE1 TYR 22 8.488 -4.014 -11.811 157 HH TYR 22 HH TYR 22 8.472 -0.849 -10.609 158 H ARG 23 H ARG 23 4.641 -6.831 -6.329 159 HA ARG 23 HA ARG 23 2.419 -8.654 -6.990 160 HB2 ARG 23 2HB ARG 23 4.842 -9.488 -7.130 161 HB3 ARG 23 1HB ARG 23 4.854 -9.389 -5.377 162 HG2 ARG 23 2HG ARG 23 2.826 -10.907 -5.420 163 HG3 ARG 23 1HG ARG 23 3.196 -11.175 -7.127 164 HD2 ARG 23 2HD ARG 23 5.522 -11.813 -6.400 165 HD3 ARG 23 1HD ARG 23 4.926 -11.788 -4.740 166 HE ARG 23 HE ARG 23 4.218 -13.707 -6.833 167 HH11 ARG 23 1HH1 ARG 23 3.788 -12.579 -3.548 168 HH12 ARG 23 2HH1 ARG 23 3.220 -14.111 -2.958 169 HH21 ARG 23 1HH2 ARG 23 3.459 -15.713 -6.073 170 HH22 ARG 23 2HH2 ARG 23 3.051 -15.911 -4.400 171 H ILE 24 H ILE 24 3.157 -6.241 -4.909 172 HA ILE 24 HA ILE 24 2.434 -7.614 -2.453 173 HB ILE 24 HB ILE 24 2.751 -5.278 -1.428 174 HG12 ILE 24 2HG1 ILE 24 4.457 -3.938 -2.780 175 HG13 ILE 24 1HG1 ILE 24 3.937 -4.877 -4.174 176 HG21 ILE 24 1HG2 ILE 24 4.272 -7.093 -1.063 177 HG22 ILE 24 2HG2 ILE 24 5.198 -5.622 -1.365 178 HG23 ILE 24 3HG2 ILE 24 5.027 -6.831 -2.637 179 HD11 ILE 24 3HD1 ILE 24 1.680 -4.012 -3.931 180 HD12 ILE 24 1HD1 ILE 24 2.853 -2.703 -4.083 181 HD13 ILE 24 2HD1 ILE 24 2.176 -3.101 -2.504 182 H ILE 25 H ILE 25 0.693 -6.306 -4.887 183 HA ILE 25 HA ILE 25 -1.551 -5.993 -5.128 184 HB ILE 25 HB ILE 25 -1.972 -6.500 -2.189 185 HG12 ILE 25 2HG1 ILE 25 -2.144 -8.848 -3.941 186 HG13 ILE 25 1HG1 ILE 25 -0.507 -8.223 -3.756 187 HG21 ILE 25 1HG2 ILE 25 -4.061 -7.520 -2.972 188 HG22 ILE 25 2HG2 ILE 25 -3.616 -7.144 -4.636 189 HG23 ILE 25 3HG2 ILE 25 -3.922 -5.841 -3.489 190 HD11 ILE 25 3HD1 ILE 25 -0.945 -9.925 -2.108 191 HD12 ILE 25 1HD1 ILE 25 -2.366 -9.046 -1.541 192 HD13 ILE 25 2HD1 ILE 25 -0.757 -8.356 -1.319 193 H GLY 26 H GLY 26 -3.415 -4.555 -4.300 194 HA2 GLY 26 2HA GLY 26 -3.068 -2.602 -2.332 195 HA3 GLY 26 1HA GLY 26 -2.561 -1.917 -3.876 196 H ALA 27 H ALA 27 -5.149 -4.140 -2.898 197 HA ALA 27 HA ALA 27 -7.235 -2.375 -3.726 198 HB1 ALA 27 3HB ALA 27 -6.371 -2.992 -5.926 199 HB2 ALA 27 1HB ALA 27 -7.987 -3.651 -5.667 200 HB3 ALA 27 2HB ALA 27 -6.575 -4.697 -5.530 201 H LEU 28 H LEU 28 -9.234 -3.106 -3.181 202 HA LEU 28 HA LEU 28 -9.481 -5.887 -2.269 203 HB2 LEU 28 2HB LEU 28 -11.101 -5.106 -0.540 204 HB3 LEU 28 1HB LEU 28 -9.448 -4.608 -0.245 205 HG LEU 28 HG LEU 28 -11.351 -2.722 -1.592 206 HD11 LEU 28 1HD1 LEU 28 -12.521 -3.487 0.399 207 HD12 LEU 28 2HD1 LEU 28 -11.950 -1.831 0.610 208 HD13 LEU 28 3HD1 LEU 28 -11.092 -3.166 1.378 209 HD21 LEU 28 3HD2 LEU 28 -9.927 -1.050 -0.522 210 HD22 LEU 28 1HD2 LEU 28 -8.972 -2.151 -1.514 211 HD23 LEU 28 2HD2 LEU 28 -8.984 -2.331 0.240 212 HA PRO 29 HA PRO 29 -12.394 -4.490 -5.531 213 HB2 PRO 29 2HB PRO 29 -11.565 -6.489 -7.339 214 HB3 PRO 29 1HB PRO 29 -11.051 -4.807 -7.319 215 HG2 PRO 29 2HG PRO 29 -9.452 -7.051 -6.776 216 HG3 PRO 29 1HG PRO 29 -9.031 -5.358 -6.468 217 HD2 PRO 29 2HD PRO 29 -10.054 -7.433 -4.594 218 HD3 PRO 29 1HD PRO 29 -8.946 -6.079 -4.287 219 H GLN 30 H GLN 30 -13.671 -5.596 -3.682 220 HA GLN 30 HA GLN 30 -15.590 -6.683 -3.216 221 HB2 GLN 30 2HB GLN 30 -16.166 -6.142 -5.574 222 HB3 GLN 30 1HB GLN 30 -15.520 -7.706 -6.052 223 HG2 GLN 30 2HG GLN 30 -17.204 -8.855 -4.806 224 HG3 GLN 30 1HG GLN 30 -17.774 -7.345 -4.098 225 HE21 GLN 30 1HE2 GLN 30 -17.710 -9.336 -6.930 226 HE22 GLN 30 2HE2 GLN 30 -18.918 -8.472 -7.818 227 H GLY 31 H GLY 31 -15.635 -8.316 -1.878 228 HA2 GLY 31 2HA GLY 31 -15.676 -10.703 -1.487 229 HA3 GLY 31 1HA GLY 31 -14.405 -10.870 -2.693 230 H GLN 32 H GLN 32 -13.525 -8.224 -1.214 231 HA GLN 32 HA GLN 32 -12.360 -9.359 1.196 232 HB2 GLN 32 2HB GLN 32 -10.693 -9.901 -0.512 233 HB3 GLN 32 1HB GLN 32 -10.697 -8.237 -1.077 234 HG2 GLN 32 2HG GLN 32 -8.777 -8.372 0.194 235 HG3 GLN 32 1HG GLN 32 -9.939 -7.636 1.294 236 HE21 GLN 32 1HE2 GLN 32 -11.283 -10.262 1.724 237 HE22 GLN 32 2HE2 GLN 32 -10.235 -11.120 2.799 238 H LYS 33 H LYS 33 -12.230 -7.817 2.776 239 HA LYS 33 HA LYS 33 -12.431 -5.016 1.904 240 HB2 LYS 33 2HB LYS 33 -13.848 -6.203 4.295 241 HB3 LYS 33 1HB LYS 33 -13.895 -4.518 3.793 242 HG2 LYS 33 2HG LYS 33 -14.937 -5.279 1.648 243 HG3 LYS 33 1HG LYS 33 -15.047 -6.893 2.348 244 HD2 LYS 33 2HD LYS 33 -16.351 -4.384 3.408 245 HD3 LYS 33 1HD LYS 33 -17.163 -5.712 2.579 246 HE2 LYS 33 2HE LYS 33 -17.603 -6.219 4.784 247 HE3 LYS 33 1HE LYS 33 -16.136 -7.153 4.503 248 HZ1 LYS 33 3HZ LYS 33 -16.259 -4.473 5.789 249 HZ2 LYS 33 1HZ LYS 33 -14.853 -5.383 5.534 250 HZ3 LYS 33 2HZ LYS 33 -16.041 -5.947 6.599 251 H VAL 34 H VAL 34 -10.250 -4.664 2.183 252 HA VAL 34 HA VAL 34 -9.263 -4.782 4.941 253 HB VAL 34 HB VAL 34 -7.053 -4.190 3.992 254 HG11 VAL 34 1HG1 VAL 34 -8.359 -6.584 2.698 255 HG12 VAL 34 2HG1 VAL 34 -7.618 -6.532 4.297 256 HG13 VAL 34 3HG1 VAL 34 -6.622 -6.327 2.856 257 HG21 VAL 34 3HG2 VAL 34 -8.467 -4.382 1.332 258 HG22 VAL 34 1HG2 VAL 34 -6.724 -4.246 1.551 259 HG23 VAL 34 2HG2 VAL 34 -7.781 -2.925 2.050 260 H GLN 35 H GLN 35 -7.746 -2.697 5.349 261 HA GLN 35 HA GLN 35 -9.220 -0.326 4.454 262 HB2 GLN 35 2HB GLN 35 -9.848 -1.395 6.821 263 HB3 GLN 35 1HB GLN 35 -8.453 -0.454 7.326 264 HG2 GLN 35 2HG GLN 35 -10.404 0.856 7.688 265 HG3 GLN 35 1HG GLN 35 -9.526 1.555 6.329 266 HE21 GLN 35 1HE2 GLN 35 -10.446 1.523 4.288 267 HE22 GLN 35 2HE2 GLN 35 -12.082 1.027 4.002 268 H VAL 36 H VAL 36 -8.019 1.568 4.402 269 HA VAL 36 HA VAL 36 -5.164 1.236 4.313 270 HB VAL 36 HB VAL 36 -6.877 3.703 3.956 271 HG11 VAL 36 1HG1 VAL 36 -4.889 4.734 2.969 272 HG12 VAL 36 2HG1 VAL 36 -3.943 3.303 3.381 273 HG13 VAL 36 3HG1 VAL 36 -4.627 4.306 4.661 274 HG21 VAL 36 3HG2 VAL 36 -5.535 1.910 1.934 275 HG22 VAL 36 1HG2 VAL 36 -6.411 3.397 1.568 276 HG23 VAL 36 2HG2 VAL 36 -7.267 2.013 2.247 277 H ILE 37 H ILE 37 -3.971 1.262 6.087 278 HA ILE 37 HA ILE 37 -4.933 2.237 8.584 279 HB ILE 37 HB ILE 37 -2.076 1.512 7.904 280 HG12 ILE 37 2HG1 ILE 37 -3.043 -0.683 9.168 281 HG13 ILE 37 1HG1 ILE 37 -4.478 -0.155 8.294 282 HG21 ILE 37 1HG2 ILE 37 -2.358 2.681 10.026 283 HG22 ILE 37 2HG2 ILE 37 -1.894 1.001 10.287 284 HG23 ILE 37 3HG2 ILE 37 -3.567 1.499 10.525 285 HD11 ILE 37 3HD1 ILE 37 -3.254 -0.251 6.197 286 HD12 ILE 37 1HD1 ILE 37 -3.214 -1.805 7.032 287 HD13 ILE 37 2HD1 ILE 37 -1.801 -0.750 7.063 288 H SER 38 H SER 38 -2.221 3.221 6.528 289 HA SER 38 HA SER 38 -2.664 5.998 6.896 290 HB2 SER 38 2HB SER 38 -1.805 5.405 9.171 291 HB3 SER 38 1HB SER 38 -0.309 4.855 8.424 292 HG SER 38 HG SER 38 -1.371 7.483 8.515 293 H GLU 39 H GLU 39 -0.877 7.293 6.035 294 HA GLU 39 HA GLU 39 0.621 5.817 3.985 295 HB2 GLU 39 2HB GLU 39 0.470 8.035 2.710 296 HB3 GLU 39 1HB GLU 39 -0.971 7.046 2.787 297 HG2 GLU 39 2HG GLU 39 -1.647 9.284 3.109 298 HG3 GLU 39 1HG GLU 39 -1.750 8.489 4.675 299 H ASN 40 H ASN 40 2.592 7.092 3.213 300 HA ASN 40 HA ASN 40 3.676 9.158 4.805 301 HB2 ASN 40 2HB ASN 40 3.962 7.371 6.468 302 HB3 ASN 40 1HB ASN 40 4.858 6.412 5.298 303 HD21 ASN 40 1HD2 ASN 40 4.885 9.327 7.240 304 HD22 ASN 40 2HD2 ASN 40 6.602 9.551 7.215 305 H SER 41 H SER 41 4.849 10.238 3.424 306 HA SER 41 HA SER 41 6.518 10.767 1.989 307 HB2 SER 41 2HB SER 41 7.763 8.995 3.286 308 HB3 SER 41 1HB SER 41 7.304 7.844 2.036 309 HG SER 41 HG SER 41 8.838 10.219 1.694 310 H GLY 42 H GLY 42 3.860 9.956 1.140 311 HA2 GLY 42 2HA GLY 42 3.078 10.275 -1.087 312 HA3 GLY 42 1HA GLY 42 4.549 9.521 -1.683 313 H TRP 43 H TRP 43 4.430 7.264 0.100 314 HA TRP 43 HA TRP 43 2.369 5.778 -1.353 315 HB2 TRP 43 2HB TRP 43 4.889 4.863 0.030 316 HB3 TRP 43 1HB TRP 43 3.687 3.759 -0.626 317 HD1 TRP 43 HD1 TRP 43 3.608 6.310 -3.100 318 HE1 TRP 43 HE1 TRP 43 5.230 5.859 -5.050 319 HE3 TRP 43 HE3 TRP 43 6.529 2.765 -0.880 320 HZ2 TRP 43 HZ2 TRP 43 7.471 4.207 -5.561 321 HZ3 TRP 43 HZ3 TRP 43 8.396 1.794 -2.164 322 HH2 TRP 43 HH2 TRP 43 8.854 2.500 -4.457 323 H SER 44 H SER 44 1.164 4.144 -0.259 324 HA SER 44 HA SER 44 0.681 4.838 2.558 325 HB2 SER 44 2HB SER 44 -1.220 5.271 1.005 326 HB3 SER 44 1HB SER 44 -1.242 3.556 0.598 327 HG SER 44 HG SER 44 -1.350 4.194 3.301 328 H LYS 45 H LYS 45 0.644 3.244 4.087 329 HA LYS 45 HA LYS 45 1.871 0.745 3.330 330 HB2 LYS 45 2HB LYS 45 2.398 2.360 5.326 331 HB3 LYS 45 1HB LYS 45 1.092 1.482 6.110 332 HG2 LYS 45 2HG LYS 45 2.273 -0.481 6.176 333 HG3 LYS 45 1HG LYS 45 3.317 -0.021 4.825 334 HD2 LYS 45 2HD LYS 45 3.359 1.101 7.618 335 HD3 LYS 45 1HD LYS 45 4.585 0.103 6.845 336 HE2 LYS 45 2HE LYS 45 5.053 1.837 5.231 337 HE3 LYS 45 1HE LYS 45 3.757 2.832 5.891 338 HZ1 LYS 45 3HZ LYS 45 5.015 2.868 8.016 339 HZ2 LYS 45 1HZ LYS 45 5.837 3.615 6.731 340 HZ3 LYS 45 2HZ LYS 45 6.290 2.065 7.238 341 H ILE 46 H ILE 46 0.859 -1.120 3.192 342 HA ILE 46 HA ILE 46 -1.757 -1.462 4.488 343 HB ILE 46 HB ILE 46 -2.467 -2.821 2.446 344 HG12 ILE 46 2HG1 ILE 46 -0.279 -1.188 1.146 345 HG13 ILE 46 1HG1 ILE 46 -0.240 -2.930 1.392 346 HG21 ILE 46 1HG2 ILE 46 -2.183 0.168 2.166 347 HG22 ILE 46 2HG2 ILE 46 -3.474 -0.684 3.013 348 HG23 ILE 46 3HG2 ILE 46 -3.308 -0.847 1.265 349 HD11 ILE 46 3HD1 ILE 46 -2.147 -3.190 -0.091 350 HD12 ILE 46 1HD1 ILE 46 -0.820 -2.355 -0.896 351 HD13 ILE 46 2HD1 ILE 46 -2.216 -1.443 -0.320 352 H ASN 47 H ASN 47 -2.149 -3.483 5.286 353 HA ASN 47 HA ASN 47 -0.026 -5.483 4.889 354 HB2 ASN 47 2HB ASN 47 -0.478 -4.713 7.266 355 HB3 ASN 47 1HB ASN 47 -2.071 -5.450 7.118 356 HD21 ASN 47 1HD2 ASN 47 1.291 -5.987 7.565 357 HD22 ASN 47 2HD2 ASN 47 1.203 -7.693 7.833 358 H TYR 48 H TYR 48 -0.570 -7.025 3.510 359 HA TYR 48 HA TYR 48 -3.429 -7.689 3.226 360 HB2 TYR 48 2HB TYR 48 -2.041 -6.366 1.343 361 HB3 TYR 48 1HB TYR 48 -1.625 -8.013 0.886 362 HD1 TYR 48 HD2 TYR 48 -3.479 -9.618 0.294 363 HD2 TYR 48 HD1 TYR 48 -4.157 -5.459 0.863 364 HE1 TYR 48 HE2 TYR 48 -5.617 -9.807 -0.912 365 HE2 TYR 48 HE1 TYR 48 -6.298 -5.633 -0.331 366 HH TYR 48 HH TYR 48 -7.391 -7.055 -1.940 367 H ASN 49 H ASN 49 -3.664 -9.631 4.097 368 HA ASN 49 HA ASN 49 -3.496 -11.870 4.437 369 HB2 ASN 49 2HB ASN 49 -3.556 -11.748 1.876 370 HB3 ASN 49 1HB ASN 49 -1.816 -12.008 1.930 371 HD21 ASN 49 1HD2 ASN 49 -1.033 -14.030 2.358 372 HD22 ASN 49 2HD2 ASN 49 -2.042 -15.431 2.512 373 H GLY 50 H GLY 50 -1.508 -10.114 5.590 374 HA2 GLY 50 2HA GLY 50 0.010 -10.772 7.262 375 HA3 GLY 50 1HA GLY 50 0.329 -12.245 6.365 376 H GLN 51 H GLN 51 0.523 -9.938 4.065 377 HA GLN 51 HA GLN 51 3.363 -9.411 4.646 378 HB2 GLN 51 2HB GLN 51 3.832 -9.502 2.258 379 HB3 GLN 51 1HB GLN 51 3.116 -11.009 2.805 380 HG2 GLN 51 2HG GLN 51 0.907 -10.103 1.966 381 HG3 GLN 51 1HG GLN 51 1.844 -8.834 1.179 382 HE21 GLN 51 1HE2 GLN 51 2.996 -12.099 1.581 383 HE22 GLN 51 2HE2 GLN 51 2.924 -12.546 -0.089 384 H THR 52 H THR 52 4.229 -7.425 3.713 385 HA THR 52 HA THR 52 2.227 -5.314 4.035 386 HB THR 52 HB THR 52 5.227 -4.986 4.056 387 HG1 THR 52 HG1 THR 52 4.665 -6.496 5.662 388 HG21 THR 52 3HG2 THR 52 2.985 -3.358 5.266 389 HG22 THR 52 1HG2 THR 52 3.904 -2.932 3.824 390 HG23 THR 52 2HG2 THR 52 4.707 -2.998 5.393 391 H GLY 53 H GLY 53 1.618 -4.066 2.395 392 HA2 GLY 53 2HA GLY 53 3.265 -4.091 -0.061 393 HA3 GLY 53 1HA GLY 53 1.511 -3.969 -0.057 394 H TYR 54 H TYR 54 3.165 -2.132 -1.366 395 HA TYR 54 HA TYR 54 2.347 0.293 0.059 396 HB2 TYR 54 2HB TYR 54 5.020 -0.048 -1.324 397 HB3 TYR 54 1HB TYR 54 4.411 1.451 -0.635 398 HD1 TYR 54 HD1 TYR 54 4.233 1.703 1.818 399 HD2 TYR 54 HD2 TYR 54 5.997 -1.745 0.053 400 HE1 TYR 54 HE1 TYR 54 5.262 1.129 3.972 401 HE2 TYR 54 HE2 TYR 54 7.021 -2.328 2.210 402 HH TYR 54 HH TYR 54 6.099 -1.044 5.099 403 H ILE 55 H ILE 55 1.483 1.830 -1.250 404 HA ILE 55 HA ILE 55 1.716 1.487 -4.145 405 HB ILE 55 HB ILE 55 -0.773 2.080 -4.308 406 HG12 ILE 55 2HG1 ILE 55 -2.058 0.972 -2.342 407 HG13 ILE 55 1HG1 ILE 55 -0.585 1.257 -1.421 408 HG21 ILE 55 1HG2 ILE 55 0.099 -0.058 -5.005 409 HG22 ILE 55 2HG2 ILE 55 -1.437 -0.288 -4.170 410 HG23 ILE 55 3HG2 ILE 55 0.078 -0.643 -3.342 411 HD11 ILE 55 3HD1 ILE 55 -2.303 3.330 -2.760 412 HD12 ILE 55 1HD1 ILE 55 -0.783 3.659 -1.924 413 HD13 ILE 55 2HD1 ILE 55 -2.163 3.020 -1.028 414 H GLY 56 H GLY 56 1.265 3.378 -5.373 415 HA2 GLY 56 2HA GLY 56 1.987 5.827 -4.086 416 HA3 GLY 56 1HA GLY 56 1.496 5.637 -5.765 417 H THR 57 H THR 57 0.638 6.877 -2.792 418 HA THR 57 HA THR 57 -2.210 6.511 -2.982 419 HB THR 57 HB THR 57 -1.112 8.611 -1.194 420 HG1 THR 57 HG1 THR 57 0.506 7.232 -0.765 421 HG21 THR 57 3HG2 THR 57 -2.944 6.245 -0.754 422 HG22 THR 57 1HG2 THR 57 -3.458 7.903 -1.072 423 HG23 THR 57 2HG2 THR 57 -2.601 7.516 0.420 424 H ARG 58 H ARG 58 -0.113 8.500 -4.619 425 HA ARG 58 HA ARG 58 -1.363 11.012 -4.550 426 HB2 ARG 58 2HB ARG 58 0.071 9.759 -6.894 427 HB3 ARG 58 1HB ARG 58 -0.151 11.469 -6.586 428 HG2 ARG 58 2HG ARG 58 1.312 11.353 -4.665 429 HG3 ARG 58 1HG ARG 58 1.485 9.608 -4.884 430 HD2 ARG 58 2HD ARG 58 2.395 10.069 -7.164 431 HD3 ARG 58 1HD ARG 58 2.384 11.784 -6.763 432 HE ARG 58 HE ARG 58 3.862 10.894 -4.774 433 HH11 ARG 58 1HH1 ARG 58 3.947 10.040 -8.176 434 HH12 ARG 58 2HH1 ARG 58 5.617 9.555 -8.146 435 HH21 ARG 58 1HH2 ARG 58 6.076 10.305 -4.736 436 HH22 ARG 58 2HH2 ARG 58 6.822 9.692 -6.181 437 H TYR 59 H TYR 59 -1.633 8.379 -6.951 438 HA TYR 59 HA TYR 59 -4.406 9.206 -7.393 439 HB2 TYR 59 2HB TYR 59 -2.274 8.549 -9.404 440 HB3 TYR 59 1HB TYR 59 -3.972 8.322 -9.777 441 HD1 TYR 59 HD2 TYR 59 -1.532 10.876 -8.661 442 HD2 TYR 59 HD1 TYR 59 -5.262 10.120 -10.549 443 HE1 TYR 59 HE2 TYR 59 -1.686 13.250 -9.287 444 HE2 TYR 59 HE1 TYR 59 -5.434 12.490 -11.176 445 HH TYR 59 HH TYR 59 -2.784 14.695 -10.799 446 H LEU 60 H LEU 60 -5.693 7.657 -6.786 447 HA LEU 60 HA LEU 60 -4.860 4.857 -7.148 448 HB2 LEU 60 2HB LEU 60 -6.783 6.061 -5.151 449 HB3 LEU 60 1HB LEU 60 -6.537 4.340 -5.364 450 HG LEU 60 HG LEU 60 -4.436 6.308 -4.459 451 HD11 LEU 60 1HD1 LEU 60 -4.644 5.167 -2.292 452 HD12 LEU 60 2HD1 LEU 60 -6.008 4.246 -2.926 453 HD13 LEU 60 3HD1 LEU 60 -6.125 5.997 -2.761 454 HD21 LEU 60 3HD2 LEU 60 -3.464 4.458 -5.686 455 HD22 LEU 60 1HD2 LEU 60 -4.358 3.306 -4.694 456 HD23 LEU 60 2HD2 LEU 60 -3.106 4.311 -3.965 457 H SER 61 H SER 61 -6.035 3.642 -8.487 458 HA SER 61 HA SER 61 -8.655 4.521 -9.389 459 HB2 SER 61 2HB SER 61 -7.003 5.776 -10.773 460 HB3 SER 61 1HB SER 61 -6.314 4.243 -11.299 461 HG SER 61 HG SER 61 -8.027 5.379 -12.640 462 H LYS 62 H LYS 62 -9.676 2.898 -10.797 463 HA LYS 62 HA LYS 62 -9.065 0.223 -9.956 464 HB2 LYS 62 2HB LYS 62 -11.382 0.963 -10.320 465 HB3 LYS 62 1HB LYS 62 -11.032 1.184 -12.033 466 HG2 LYS 62 2HG LYS 62 -10.297 -1.308 -11.924 467 HG3 LYS 62 1HG LYS 62 -11.285 -1.334 -10.462 468 HD2 LYS 62 2HD LYS 62 -13.207 -0.589 -11.698 469 HD3 LYS 62 1HD LYS 62 -12.233 -0.411 -13.158 470 HE2 LYS 62 2HE LYS 62 -11.716 -2.871 -12.967 471 HE3 LYS 62 1HE LYS 62 -12.961 -2.952 -11.722 472 HZ1 LYS 62 3HZ LYS 62 -14.550 -2.084 -13.363 473 HZ2 LYS 62 1HZ LYS 62 -13.879 -3.570 -13.828 474 HZ3 LYS 62 2HZ LYS 62 -13.337 -2.135 -14.552 475 H LEU 63 H LEU 63 -7.394 -0.873 -10.829 476 HA LEU 63 HA LEU 63 -6.777 -0.451 -13.656 477 HB2 LEU 63 2HB LEU 63 -5.265 -1.678 -11.380 478 HB3 LEU 63 1HB LEU 63 -4.840 -2.092 -13.029 479 HG LEU 63 HG LEU 63 -4.533 0.378 -13.464 480 HD11 LEU 63 1HD1 LEU 63 -4.147 1.813 -11.527 481 HD12 LEU 63 2HD1 LEU 63 -4.694 0.519 -10.461 482 HD13 LEU 63 3HD1 LEU 63 -5.817 1.254 -11.606 483 HD21 LEU 63 3HD2 LEU 63 -2.769 -0.905 -11.384 484 HD22 LEU 63 1HD2 LEU 63 -2.323 0.437 -12.436 485 HD23 LEU 63 2HD2 LEU 63 -2.663 -1.148 -13.127 486 H GLU 64 H GLU 64 -6.950 -3.310 -11.515 487 HA GLU 64 HA GLU 64 -8.673 -4.687 -13.364 488 HB2 GLU 64 2HB GLU 64 -7.012 -6.582 -13.659 489 HB3 GLU 64 1HB GLU 64 -6.689 -5.113 -14.571 490 HG2 GLU 64 2HG GLU 64 -5.022 -4.445 -12.925 491 HG3 GLU 64 1HG GLU 64 -5.360 -5.898 -11.984 492 H HIS 65 H HIS 65 -9.041 -6.994 -12.631 493 HA HIS 65 HA HIS 65 -8.738 -7.184 -9.710 494 HB2 HIS 65 2HB HIS 65 -10.982 -8.092 -9.501 495 HB3 HIS 65 1HB HIS 65 -11.045 -6.513 -10.270 496 HD1 HIS 65 HD1 HIS 65 -11.713 -6.465 -12.819 497 HD2 HIS 65 HD2 HIS 65 -11.942 -10.205 -11.005 498 HE1 HIS 65 HE1 HIS 65 -13.085 -7.890 -14.367 499 HE2 HIS 65 HE2 HIS 65 -13.324 -10.105 -13.192 500 H HIS 66 H HIS 66 -7.597 -8.423 -12.358 501 HA HIS 66 HA HIS 66 -6.929 -10.906 -11.091 502 HB2 HIS 66 2HB HIS 66 -9.078 -10.890 -13.006 503 HB3 HIS 66 1HB HIS 66 -7.708 -11.772 -13.675 504 HD1 HIS 66 HD1 HIS 66 -10.564 -12.901 -12.533 505 HD2 HIS 66 HD2 HIS 66 -6.790 -13.197 -10.803 506 HE1 HIS 66 HE1 HIS 66 -10.672 -14.886 -10.995 507 HE2 HIS 66 HE2 HIS 66 -8.421 -14.969 -9.862 508 H HIS 67 H HIS 67 -4.933 -11.600 -11.772 509 HA HIS 67 HA HIS 67 -3.811 -10.295 -14.159 510 HB2 HIS 67 2HB HIS 67 -3.133 -9.125 -12.011 511 HB3 HIS 67 1HB HIS 67 -2.268 -10.595 -11.580 512 HD1 HIS 67 HD1 HIS 67 -2.038 -7.543 -13.622 513 HD2 HIS 67 HD2 HIS 67 0.020 -11.142 -13.251 514 HE1 HIS 67 HE1 HIS 67 0.164 -7.198 -14.805 515 HE2 HIS 67 HE2 HIS 67 1.314 -9.436 -14.704 516 H HIS 68 H HIS 68 -2.632 -12.503 -11.634 517 HA HIS 68 HA HIS 68 -1.538 -14.481 -11.701 518 HB2 HIS 68 2HB HIS 68 -3.331 -15.441 -13.008 519 HB3 HIS 68 1HB HIS 68 -2.718 -14.696 -14.481 520 HD1 HIS 68 HD1 HIS 68 -1.918 -17.451 -12.025 521 HD2 HIS 68 HD2 HIS 68 -0.752 -16.134 -15.795 522 HE1 HIS 68 HE1 HIS 68 -0.419 -19.251 -12.943 523 HE2 HIS 68 HE2 HIS 68 0.476 -18.305 -15.104 524 H HIS 69 H HIS 69 0.586 -14.555 -11.707 525 HA HIS 69 HA HIS 69 2.127 -12.929 -13.505 526 HB2 HIS 69 2HB HIS 69 2.936 -13.167 -11.258 527 HB3 HIS 69 1HB HIS 69 2.903 -14.921 -11.366 528 HD1 HIS 69 HD1 HIS 69 4.892 -11.932 -12.565 529 HD2 HIS 69 HD2 HIS 69 5.174 -16.080 -12.412 530 HE1 HIS 69 HE1 HIS 69 7.254 -12.479 -13.219 531 HE2 HIS 69 HE2 HIS 69 7.449 -14.979 -12.946 532 H HIS 70 H HIS 70 2.767 -13.479 -15.455 533 HA HIS 70 HA HIS 70 2.337 -16.081 -16.529 534 HB2 HIS 70 2HB HIS 70 2.150 -14.162 -17.982 535 HB3 HIS 70 1HB HIS 70 3.803 -13.674 -17.623 536 HD1 HIS 70 HD1 HIS 70 5.318 -14.168 -19.494 537 HD2 HIS 70 HD2 HIS 70 2.272 -16.994 -19.209 538 HE1 HIS 70 HE1 HIS 70 5.726 -15.799 -21.367 539 HE2 HIS 70 HE2 HIS 70 3.957 -17.569 -21.099 Start of MODEL 19 1 H1 MET 1 1H MET 1 -3.119 21.747 -9.124 2 H2 MET 1 2H MET 1 -2.178 21.079 -10.366 3 H3 MET 1 3H MET 1 -3.771 20.554 -10.134 4 HA MET 1 HA MET 1 -4.626 22.701 -10.729 5 HB2 MET 1 2HB MET 1 -1.719 23.370 -11.244 6 HB3 MET 1 1HB MET 1 -3.082 24.386 -11.693 7 HG2 MET 1 2HG MET 1 -3.668 24.653 -9.348 8 HG3 MET 1 1HG MET 1 -2.329 23.603 -8.886 9 HE1 MET 1 3HE MET 1 -1.057 27.077 -7.664 10 HE2 MET 1 1HE MET 1 -1.314 25.385 -7.234 11 HE3 MET 1 2HE MET 1 -2.696 26.426 -7.588 12 H ILE 2 H ILE 2 -1.697 21.603 -12.468 13 HA ILE 2 HA ILE 2 -3.426 20.768 -14.688 14 HB ILE 2 HB ILE 2 -1.559 21.753 -16.222 15 HG12 ILE 2 2HG1 ILE 2 -0.773 23.989 -15.282 16 HG13 ILE 2 1HG1 ILE 2 -1.249 23.391 -13.698 17 HG21 ILE 2 1HG2 ILE 2 -2.837 23.848 -16.420 18 HG22 ILE 2 2HG2 ILE 2 -3.657 23.466 -14.906 19 HG23 ILE 2 3HG2 ILE 2 -3.873 22.425 -16.311 20 HD11 ILE 2 3HD1 ILE 2 0.826 22.169 -15.501 21 HD12 ILE 2 1HD1 ILE 2 0.347 21.562 -13.915 22 HD13 ILE 2 2HD1 ILE 2 1.128 23.135 -14.056 23 H GLY 3 H GLY 3 -1.569 19.522 -12.554 24 HA2 GLY 3 2HA GLY 3 0.287 18.133 -14.367 25 HA3 GLY 3 1HA GLY 3 0.421 18.189 -12.616 26 H ASP 4 H ASP 4 -2.670 17.673 -12.780 27 HA ASP 4 HA ASP 4 -2.391 14.830 -12.375 28 HB2 ASP 4 2HB ASP 4 -4.807 16.650 -12.185 29 HB3 ASP 4 1HB ASP 4 -4.833 14.931 -11.813 30 H TYR 5 H TYR 5 -2.190 13.656 -14.192 31 HA TYR 5 HA TYR 5 -4.267 14.000 -16.252 32 HB2 TYR 5 2HB TYR 5 -1.334 13.476 -16.527 33 HB3 TYR 5 1HB TYR 5 -2.434 12.814 -17.730 34 HD1 TYR 5 HD1 TYR 5 -1.376 16.004 -16.130 35 HD2 TYR 5 HD2 TYR 5 -3.237 14.145 -19.471 36 HE1 TYR 5 HE1 TYR 5 -1.385 18.159 -17.315 37 HE2 TYR 5 HE2 TYR 5 -3.253 16.292 -20.670 38 HH TYR 5 HH TYR 5 -1.480 19.014 -19.599 39 H TYR 6 H TYR 6 -5.436 12.265 -16.787 40 HA TYR 6 HA TYR 6 -6.389 10.216 -16.646 41 HB2 TYR 6 2HB TYR 6 -3.500 9.326 -16.556 42 HB3 TYR 6 1HB TYR 6 -4.872 8.256 -16.824 43 HD1 TYR 6 HD1 TYR 6 -6.253 8.540 -18.893 44 HD2 TYR 6 HD2 TYR 6 -2.583 10.613 -18.325 45 HE1 TYR 6 HE1 TYR 6 -6.147 8.997 -21.304 46 HE2 TYR 6 HE2 TYR 6 -2.467 11.078 -20.735 47 HH TYR 6 HH TYR 6 -5.105 10.651 -22.812 48 H ILE 7 H ILE 7 -7.423 10.487 -14.686 49 HA ILE 7 HA ILE 7 -5.956 10.146 -12.230 50 HB ILE 7 HB ILE 7 -8.918 10.613 -12.596 51 HG12 ILE 7 2HG1 ILE 7 -7.631 12.435 -13.592 52 HG13 ILE 7 1HG1 ILE 7 -8.405 12.977 -12.109 53 HG21 ILE 7 1HG2 ILE 7 -8.403 9.714 -10.415 54 HG22 ILE 7 2HG2 ILE 7 -8.812 11.425 -10.266 55 HG23 ILE 7 3HG2 ILE 7 -7.126 10.910 -10.193 56 HD11 ILE 7 3HD1 ILE 7 -6.282 12.719 -10.919 57 HD12 ILE 7 1HD1 ILE 7 -6.156 13.844 -12.271 58 HD13 ILE 7 2HD1 ILE 7 -5.515 12.208 -12.423 59 H ASN 8 H ASN 8 -5.341 7.963 -12.395 60 HA ASN 8 HA ASN 8 -5.423 5.986 -11.289 61 HB2 ASN 8 2HB ASN 8 -7.145 7.360 -9.866 62 HB3 ASN 8 1HB ASN 8 -8.312 6.271 -10.612 63 HD21 ASN 8 1HD2 ASN 8 -8.172 4.040 -10.172 64 HD22 ASN 8 2HD2 ASN 8 -7.301 3.456 -8.792 65 H ALA 9 H ALA 9 -8.661 6.388 -12.737 66 HA ALA 9 HA ALA 9 -9.979 4.988 -13.946 67 HB1 ALA 9 3HB ALA 9 -8.928 3.609 -15.678 68 HB2 ALA 9 1HB ALA 9 -7.350 3.880 -14.939 69 HB3 ALA 9 2HB ALA 9 -8.236 5.233 -15.644 70 H SER 10 H SER 10 -9.732 2.258 -14.610 71 HA SER 10 HA SER 10 -9.840 1.085 -11.929 72 HB2 SER 10 2HB SER 10 -10.968 -0.833 -13.133 73 HB3 SER 10 1HB SER 10 -11.830 0.701 -13.207 74 HG SER 10 HG SER 10 -11.070 -0.807 -15.223 75 H ALA 11 H ALA 11 -7.360 1.656 -13.612 76 HA ALA 11 HA ALA 11 -6.355 -1.079 -13.932 77 HB1 ALA 11 3HB ALA 11 -6.144 0.381 -15.882 78 HB2 ALA 11 1HB ALA 11 -4.568 -0.121 -15.272 79 HB3 ALA 11 2HB ALA 11 -5.167 1.502 -14.934 80 H LEU 12 H LEU 12 -4.543 1.882 -13.167 81 HA LEU 12 HA LEU 12 -2.842 0.370 -11.420 82 HB2 LEU 12 2HB LEU 12 -2.894 3.329 -12.007 83 HB3 LEU 12 1HB LEU 12 -1.657 2.517 -11.072 84 HG LEU 12 HG LEU 12 -1.281 1.106 -13.219 85 HD11 LEU 12 1HD1 LEU 12 -1.784 2.287 -15.293 86 HD12 LEU 12 2HD1 LEU 12 -2.657 3.519 -14.383 87 HD13 LEU 12 3HD1 LEU 12 -3.258 1.863 -14.424 88 HD21 LEU 12 3HD2 LEU 12 0.301 2.761 -14.056 89 HD22 LEU 12 1HD2 LEU 12 0.327 2.692 -12.293 90 HD23 LEU 12 2HD2 LEU 12 -0.502 4.016 -13.112 91 H ASN 13 H ASN 13 -4.020 -0.290 -9.663 92 HA ASN 13 HA ASN 13 -5.067 1.853 -7.946 93 HB2 ASN 13 2HB ASN 13 -6.066 -0.939 -8.410 94 HB3 ASN 13 1HB ASN 13 -6.498 -0.044 -6.957 95 HD21 ASN 13 1HD2 ASN 13 -6.786 -0.172 -10.434 96 HD22 ASN 13 2HD2 ASN 13 -8.129 0.910 -10.551 97 H VAL 14 H VAL 14 -3.796 -1.472 -7.703 98 HA VAL 14 HA VAL 14 -2.608 -0.692 -5.122 99 HB VAL 14 HB VAL 14 -3.407 -3.525 -5.731 100 HG11 VAL 14 1HG1 VAL 14 -3.534 -3.684 -3.292 101 HG12 VAL 14 2HG1 VAL 14 -3.099 -1.979 -3.163 102 HG13 VAL 14 3HG1 VAL 14 -1.944 -3.135 -3.829 103 HG21 VAL 14 3HG2 VAL 14 -5.203 -1.428 -4.519 104 HG22 VAL 14 1HG2 VAL 14 -5.543 -3.156 -4.592 105 HG23 VAL 14 2HG2 VAL 14 -5.430 -2.217 -6.079 106 H ARG 15 H ARG 15 -1.281 -0.425 -7.584 107 HA ARG 15 HA ARG 15 0.303 -2.742 -8.183 108 HB2 ARG 15 2HB ARG 15 0.367 0.128 -9.099 109 HB3 ARG 15 1HB ARG 15 1.586 -1.033 -9.608 110 HG2 ARG 15 2HG ARG 15 -1.360 -1.478 -10.008 111 HG3 ARG 15 1HG ARG 15 -0.336 -0.669 -11.196 112 HD2 ARG 15 2HD ARG 15 0.201 -3.428 -10.109 113 HD3 ARG 15 1HD ARG 15 -0.694 -3.116 -11.596 114 HE ARG 15 HE ARG 15 1.782 -1.777 -11.713 115 HH11 ARG 15 1HH1 ARG 15 0.447 -5.023 -11.809 116 HH12 ARG 15 2HH1 ARG 15 1.749 -5.676 -12.753 117 HH21 ARG 15 1HH2 ARG 15 3.495 -2.635 -12.980 118 HH22 ARG 15 2HH2 ARG 15 3.469 -4.313 -13.435 119 H SER 16 H SER 16 0.509 -1.889 -5.433 120 HA SER 16 HA SER 16 2.019 -1.535 -3.783 121 HB2 SER 16 2HB SER 16 3.211 -3.373 -4.929 122 HB3 SER 16 1HB SER 16 4.043 -2.194 -5.941 123 HG SER 16 HG SER 16 4.856 -1.291 -3.927 124 H GLY 17 H GLY 17 1.055 0.672 -5.170 125 HA2 GLY 17 2HA GLY 17 1.473 2.964 -4.927 126 HA3 GLY 17 1HA GLY 17 3.180 2.602 -4.680 127 H GLU 18 H GLU 18 4.045 1.341 -6.735 128 HA GLU 18 HA GLU 18 3.050 2.252 -9.259 129 HB2 GLU 18 2HB GLU 18 4.637 4.077 -7.935 130 HB3 GLU 18 1HB GLU 18 5.814 3.205 -8.906 131 HG2 GLU 18 2HG GLU 18 3.316 4.414 -10.062 132 HG3 GLU 18 1HG GLU 18 4.835 5.294 -9.921 133 H GLY 19 H GLY 19 4.673 1.537 -11.013 134 HA2 GLY 19 2HA GLY 19 5.297 -1.203 -10.489 135 HA3 GLY 19 1HA GLY 19 5.578 -0.344 -11.993 136 H THR 20 H THR 20 6.868 0.584 -8.853 137 HA THR 20 HA THR 20 9.579 0.236 -9.860 138 HB THR 20 HB THR 20 8.691 1.278 -7.160 139 HG1 THR 20 HG1 THR 20 8.595 2.435 -9.648 140 HG21 THR 20 3HG2 THR 20 11.298 1.559 -8.666 141 HG22 THR 20 1HG2 THR 20 11.030 0.596 -7.214 142 HG23 THR 20 2HG2 THR 20 10.912 2.354 -7.140 143 H ASN 21 H ASN 21 7.342 -1.080 -7.510 144 HA ASN 21 HA ASN 21 9.040 -3.440 -7.235 145 HB2 ASN 21 2HB ASN 21 9.346 -1.728 -5.282 146 HB3 ASN 21 1HB ASN 21 7.754 -2.278 -4.770 147 HD21 ASN 21 1HD2 ASN 21 7.510 -4.346 -3.968 148 HD22 ASN 21 2HD2 ASN 21 8.859 -5.333 -3.516 149 H TYR 22 H TYR 22 7.082 -3.474 -8.858 150 HA TYR 22 HA TYR 22 4.424 -3.588 -7.988 151 HB2 TYR 22 2HB TYR 22 4.002 -4.605 -10.219 152 HB3 TYR 22 1HB TYR 22 4.999 -3.154 -10.293 153 HD1 TYR 22 HD2 TYR 22 7.451 -3.360 -10.704 154 HD2 TYR 22 HD1 TYR 22 4.857 -6.727 -10.929 155 HE1 TYR 22 HE2 TYR 22 9.186 -4.608 -11.915 156 HE2 TYR 22 HE1 TYR 22 6.592 -7.987 -12.137 157 HH TYR 22 HH TYR 22 9.798 -7.053 -12.259 158 H ARG 23 H ARG 23 6.792 -5.809 -7.298 159 HA ARG 23 HA ARG 23 5.455 -8.260 -7.872 160 HB2 ARG 23 2HB ARG 23 8.017 -7.465 -7.032 161 HB3 ARG 23 1HB ARG 23 7.398 -8.515 -5.765 162 HG2 ARG 23 2HG ARG 23 7.730 -9.163 -8.679 163 HG3 ARG 23 1HG ARG 23 8.601 -9.844 -7.309 164 HD2 ARG 23 2HD ARG 23 6.462 -10.786 -6.479 165 HD3 ARG 23 1HD ARG 23 5.678 -10.194 -7.942 166 HE ARG 23 HE ARG 23 7.821 -12.227 -7.907 167 HH11 ARG 23 1HH1 ARG 23 4.871 -10.897 -9.263 168 HH12 ARG 23 2HH1 ARG 23 4.730 -12.125 -10.481 169 HH21 ARG 23 1HH2 ARG 23 7.619 -13.841 -9.501 170 HH22 ARG 23 2HH2 ARG 23 6.308 -13.771 -10.640 171 H ILE 24 H ILE 24 4.975 -5.974 -5.452 172 HA ILE 24 HA ILE 24 4.484 -7.701 -3.253 173 HB ILE 24 HB ILE 24 3.580 -4.857 -3.689 174 HG12 ILE 24 2HG1 ILE 24 6.018 -5.132 -3.644 175 HG13 ILE 24 1HG1 ILE 24 5.455 -4.300 -2.199 176 HG21 ILE 24 1HG2 ILE 24 3.612 -6.494 -1.157 177 HG22 ILE 24 2HG2 ILE 24 2.172 -6.006 -2.052 178 HG23 ILE 24 3HG2 ILE 24 3.189 -4.786 -1.285 179 HD11 ILE 24 3HD1 ILE 24 7.184 -5.921 -1.666 180 HD12 ILE 24 1HD1 ILE 24 6.216 -7.211 -2.383 181 HD13 ILE 24 2HD1 ILE 24 5.648 -6.383 -0.931 182 H ILE 25 H ILE 25 2.176 -5.928 -5.367 183 HA ILE 25 HA ILE 25 0.208 -8.009 -4.743 184 HB ILE 25 HB ILE 25 -0.478 -5.065 -4.615 185 HG12 ILE 25 2HG1 ILE 25 -0.695 -6.939 -2.305 186 HG13 ILE 25 1HG1 ILE 25 0.878 -6.251 -2.694 187 HG21 ILE 25 1HG2 ILE 25 -2.145 -7.517 -4.135 188 HG22 ILE 25 2HG2 ILE 25 -2.299 -6.379 -5.477 189 HG23 ILE 25 3HG2 ILE 25 -2.655 -5.855 -3.832 190 HD11 ILE 25 3HD1 ILE 25 -0.262 -4.952 -0.992 191 HD12 ILE 25 1HD1 ILE 25 -1.625 -4.700 -2.082 192 HD13 ILE 25 2HD1 ILE 25 -0.048 -4.007 -2.468 193 H GLY 26 H GLY 26 -0.334 -4.952 -6.456 194 HA2 GLY 26 2HA GLY 26 0.084 -4.978 -8.936 195 HA3 GLY 26 1HA GLY 26 -0.702 -6.549 -8.915 196 H ALA 27 H ALA 27 -2.053 -5.384 -10.582 197 HA ALA 27 HA ALA 27 -3.866 -3.364 -9.528 198 HB1 ALA 27 3HB ALA 27 -2.994 -3.175 -11.823 199 HB2 ALA 27 1HB ALA 27 -4.756 -3.261 -11.791 200 HB3 ALA 27 2HB ALA 27 -3.812 -4.680 -12.250 201 H LEU 28 H LEU 28 -5.039 -4.455 -7.975 202 HA LEU 28 HA LEU 28 -7.363 -5.787 -8.986 203 HB2 LEU 28 2HB LEU 28 -7.225 -7.723 -7.437 204 HB3 LEU 28 1HB LEU 28 -6.055 -7.771 -8.738 205 HG LEU 28 HG LEU 28 -5.175 -6.666 -6.106 206 HD11 LEU 28 1HD1 LEU 28 -4.670 -8.912 -5.292 207 HD12 LEU 28 2HD1 LEU 28 -5.490 -9.609 -6.689 208 HD13 LEU 28 3HD1 LEU 28 -6.408 -8.689 -5.497 209 HD21 LEU 28 3HD2 LEU 28 -3.078 -7.746 -6.763 210 HD22 LEU 28 1HD2 LEU 28 -3.661 -6.657 -8.024 211 HD23 LEU 28 2HD2 LEU 28 -3.864 -8.401 -8.202 212 HA PRO 29 HA PRO 29 -8.158 -2.955 -5.508 213 HB2 PRO 29 2HB PRO 29 -10.608 -2.304 -6.921 214 HB3 PRO 29 1HB PRO 29 -9.234 -1.263 -6.548 215 HG2 PRO 29 2HG PRO 29 -9.861 -2.065 -9.073 216 HG3 PRO 29 1HG PRO 29 -8.213 -1.671 -8.552 217 HD2 PRO 29 2HD PRO 29 -9.502 -4.352 -8.902 218 HD3 PRO 29 1HD PRO 29 -7.852 -3.829 -9.307 219 H GLN 30 H GLN 30 -8.488 -5.244 -4.580 220 HA GLN 30 HA GLN 30 -10.987 -5.168 -3.242 221 HB2 GLN 30 2HB GLN 30 -11.804 -6.277 -5.251 222 HB3 GLN 30 1HB GLN 30 -10.534 -7.487 -5.129 223 HG2 GLN 30 2HG GLN 30 -11.497 -8.410 -3.158 224 HG3 GLN 30 1HG GLN 30 -12.640 -7.074 -3.019 225 HE21 GLN 30 1HE2 GLN 30 -14.431 -7.022 -4.327 226 HE22 GLN 30 2HE2 GLN 30 -14.952 -8.379 -5.259 227 H GLY 31 H GLY 31 -9.892 -5.180 -1.375 228 HA2 GLY 31 2HA GLY 31 -8.295 -7.590 -0.790 229 HA3 GLY 31 1HA GLY 31 -8.018 -6.022 -0.039 230 H GLN 32 H GLN 32 -8.364 -8.193 1.572 231 HA GLN 32 HA GLN 32 -11.130 -8.387 2.335 232 HB2 GLN 32 2HB GLN 32 -9.857 -9.592 4.390 233 HB3 GLN 32 1HB GLN 32 -10.280 -10.394 2.886 234 HG2 GLN 32 2HG GLN 32 -8.038 -10.963 3.437 235 HG3 GLN 32 1HG GLN 32 -8.007 -9.893 2.039 236 HE21 GLN 32 1HE2 GLN 32 -7.300 -10.205 5.427 237 HE22 GLN 32 2HE2 GLN 32 -6.298 -8.796 5.553 238 H LYS 33 H LYS 33 -11.559 -6.212 2.708 239 HA LYS 33 HA LYS 33 -11.896 -4.351 3.931 240 HB2 LYS 33 2HB LYS 33 -11.287 -6.303 6.134 241 HB3 LYS 33 1HB LYS 33 -11.663 -4.621 6.475 242 HG2 LYS 33 2HG LYS 33 -13.683 -5.781 6.721 243 HG3 LYS 33 1HG LYS 33 -13.797 -4.969 5.160 244 HD2 LYS 33 2HD LYS 33 -13.036 -7.123 4.105 245 HD3 LYS 33 1HD LYS 33 -13.223 -7.880 5.688 246 HE2 LYS 33 2HE LYS 33 -15.210 -8.273 4.383 247 HE3 LYS 33 1HE LYS 33 -15.592 -7.167 5.705 248 HZ1 LYS 33 3HZ LYS 33 -16.591 -6.421 3.647 249 HZ2 LYS 33 1HZ LYS 33 -15.076 -6.394 2.881 250 HZ3 LYS 33 2HZ LYS 33 -15.410 -5.316 4.144 251 H VAL 34 H VAL 34 -9.816 -3.886 2.668 252 HA VAL 34 HA VAL 34 -8.087 -2.457 4.495 253 HB VAL 34 HB VAL 34 -6.823 -4.490 4.330 254 HG11 VAL 34 1HG1 VAL 34 -7.051 -4.244 1.331 255 HG12 VAL 34 2HG1 VAL 34 -7.860 -5.442 2.342 256 HG13 VAL 34 3HG1 VAL 34 -6.102 -5.453 2.200 257 HG21 VAL 34 3HG2 VAL 34 -4.752 -3.705 3.281 258 HG22 VAL 34 1HG2 VAL 34 -5.520 -2.439 4.240 259 HG23 VAL 34 2HG2 VAL 34 -5.648 -2.414 2.482 260 H GLN 35 H GLN 35 -7.830 -0.466 3.736 261 HA GLN 35 HA GLN 35 -7.639 -0.071 0.833 262 HB2 GLN 35 2HB GLN 35 -9.254 1.644 2.736 263 HB3 GLN 35 1HB GLN 35 -8.888 2.082 1.076 264 HG2 GLN 35 2HG GLN 35 -11.019 1.248 0.904 265 HG3 GLN 35 1HG GLN 35 -10.045 -0.156 0.483 266 HE21 GLN 35 1HE2 GLN 35 -11.649 -1.592 1.055 267 HE22 GLN 35 2HE2 GLN 35 -12.092 -1.893 2.698 268 H VAL 36 H VAL 36 -7.480 1.920 3.789 269 HA VAL 36 HA VAL 36 -4.684 2.560 3.191 270 HB VAL 36 HB VAL 36 -6.755 4.700 3.755 271 HG11 VAL 36 1HG1 VAL 36 -3.804 4.911 3.159 272 HG12 VAL 36 2HG1 VAL 36 -4.584 5.224 4.710 273 HG13 VAL 36 3HG1 VAL 36 -4.914 6.269 3.330 274 HG21 VAL 36 3HG2 VAL 36 -6.327 5.501 1.485 275 HG22 VAL 36 1HG2 VAL 36 -6.978 3.860 1.475 276 HG23 VAL 36 2HG2 VAL 36 -5.255 4.127 1.201 277 H ILE 37 H ILE 37 -3.508 2.389 5.019 278 HA ILE 37 HA ILE 37 -4.927 2.739 7.579 279 HB ILE 37 HB ILE 37 -2.465 1.066 7.067 280 HG12 ILE 37 2HG1 ILE 37 -4.929 -0.194 8.064 281 HG13 ILE 37 1HG1 ILE 37 -5.044 0.438 6.425 282 HG21 ILE 37 1HG2 ILE 37 -2.490 2.050 9.306 283 HG22 ILE 37 2HG2 ILE 37 -2.722 0.303 9.360 284 HG23 ILE 37 3HG2 ILE 37 -4.099 1.382 9.579 285 HD11 ILE 37 3HD1 ILE 37 -4.407 -1.900 6.442 286 HD12 ILE 37 1HD1 ILE 37 -2.989 -1.518 7.415 287 HD13 ILE 37 2HD1 ILE 37 -3.123 -0.895 5.769 288 H SER 38 H SER 38 -1.620 3.037 6.208 289 HA SER 38 HA SER 38 -1.390 5.605 7.595 290 HB2 SER 38 2HB SER 38 -0.400 3.906 9.090 291 HB3 SER 38 1HB SER 38 0.685 3.406 7.800 292 HG SER 38 HG SER 38 0.929 5.442 9.557 293 H GLU 39 H GLU 39 0.339 6.910 6.803 294 HA GLU 39 HA GLU 39 0.890 6.318 3.970 295 HB2 GLU 39 2HB GLU 39 0.567 9.056 5.209 296 HB3 GLU 39 1HB GLU 39 0.774 8.690 3.507 297 HG2 GLU 39 2HG GLU 39 -1.473 9.104 3.624 298 HG3 GLU 39 1HG GLU 39 -1.433 7.351 3.792 299 H ASN 40 H ASN 40 2.950 6.460 3.262 300 HA ASN 40 HA ASN 40 4.986 7.414 5.168 301 HB2 ASN 40 2HB ASN 40 5.641 5.847 2.685 302 HB3 ASN 40 1HB ASN 40 6.587 6.044 4.148 303 HD21 ASN 40 1HD2 ASN 40 4.485 5.465 5.991 304 HD22 ASN 40 2HD2 ASN 40 4.158 3.770 5.882 305 H SER 41 H SER 41 6.967 8.257 3.924 306 HA SER 41 HA SER 41 6.217 10.475 2.317 307 HB2 SER 41 2HB SER 41 8.853 9.268 3.126 308 HB3 SER 41 1HB SER 41 8.749 10.641 2.035 309 HG SER 41 HG SER 41 8.172 10.475 4.765 310 H GLY 42 H GLY 42 5.057 9.113 0.733 311 HA2 GLY 42 2HA GLY 42 5.908 9.277 -1.757 312 HA3 GLY 42 1HA GLY 42 6.777 7.833 -1.256 313 H TRP 43 H TRP 43 5.216 6.274 0.019 314 HA TRP 43 HA TRP 43 2.680 6.086 -1.466 315 HB2 TRP 43 2HB TRP 43 4.517 3.792 -0.738 316 HB3 TRP 43 1HB TRP 43 2.912 3.619 -1.432 317 HD1 TRP 43 HD1 TRP 43 3.199 5.829 -3.759 318 HE1 TRP 43 HE1 TRP 43 4.724 5.295 -5.771 319 HE3 TRP 43 HE3 TRP 43 6.046 2.206 -1.620 320 HZ2 TRP 43 HZ2 TRP 43 6.868 3.528 -6.365 321 HZ3 TRP 43 HZ3 TRP 43 7.817 1.118 -2.964 322 HH2 TRP 43 HH2 TRP 43 8.214 1.767 -5.286 323 H SER 44 H SER 44 1.094 4.703 -0.382 324 HA SER 44 HA SER 44 1.187 5.116 2.519 325 HB2 SER 44 2HB SER 44 -0.777 6.014 1.314 326 HB3 SER 44 1HB SER 44 -1.143 4.400 0.712 327 HG SER 44 HG SER 44 -0.873 4.688 3.469 328 H LYS 45 H LYS 45 1.411 3.418 3.871 329 HA LYS 45 HA LYS 45 1.813 0.809 2.701 330 HB2 LYS 45 2HB LYS 45 3.428 1.838 4.255 331 HB3 LYS 45 1HB LYS 45 2.198 1.840 5.505 332 HG2 LYS 45 2HG LYS 45 2.090 -0.642 5.279 333 HG3 LYS 45 1HG LYS 45 3.503 -0.530 4.222 334 HD2 LYS 45 2HD LYS 45 4.214 -0.987 6.458 335 HD3 LYS 45 1HD LYS 45 4.709 0.637 6.019 336 HE2 LYS 45 2HE LYS 45 2.808 1.552 7.236 337 HE3 LYS 45 1HE LYS 45 2.282 -0.077 7.656 338 HZ1 LYS 45 3HZ LYS 45 4.381 -0.370 8.867 339 HZ2 LYS 45 1HZ LYS 45 3.458 0.912 9.490 340 HZ3 LYS 45 2HZ LYS 45 4.806 1.231 8.510 341 H ILE 46 H ILE 46 0.409 -0.838 2.896 342 HA ILE 46 HA ILE 46 -1.552 -0.784 5.068 343 HB ILE 46 HB ILE 46 -3.403 -1.434 3.674 344 HG12 ILE 46 2HG1 ILE 46 -2.028 -2.640 1.942 345 HG13 ILE 46 1HG1 ILE 46 -3.347 -1.673 1.300 346 HG21 ILE 46 1HG2 ILE 46 -2.078 1.019 2.532 347 HG22 ILE 46 2HG2 ILE 46 -3.079 0.951 3.984 348 HG23 ILE 46 3HG2 ILE 46 -3.791 0.614 2.405 349 HD11 ILE 46 3HD1 ILE 46 -1.354 -1.471 -0.061 350 HD12 ILE 46 1HD1 ILE 46 -0.440 -0.899 1.333 351 HD13 ILE 46 2HD1 ILE 46 -1.759 0.075 0.685 352 H ASN 47 H ASN 47 -2.197 -2.820 5.781 353 HA ASN 47 HA ASN 47 -0.500 -5.021 4.998 354 HB2 ASN 47 2HB ASN 47 -2.753 -4.804 7.007 355 HB3 ASN 47 1HB ASN 47 -1.863 -6.291 6.710 356 HD21 ASN 47 1HD2 ASN 47 -1.097 -6.385 8.797 357 HD22 ASN 47 2HD2 ASN 47 0.126 -5.308 9.387 358 H TYR 48 H TYR 48 -0.947 -6.203 3.281 359 HA TYR 48 HA TYR 48 -3.725 -6.210 2.304 360 HB2 TYR 48 2HB TYR 48 -1.782 -5.133 0.946 361 HB3 TYR 48 1HB TYR 48 -1.321 -6.794 0.593 362 HD1 TYR 48 HD2 TYR 48 -2.870 -8.257 -0.697 363 HD2 TYR 48 HD1 TYR 48 -3.656 -4.120 -0.131 364 HE1 TYR 48 HE2 TYR 48 -4.503 -8.319 -2.526 365 HE2 TYR 48 HE1 TYR 48 -5.292 -4.173 -1.963 366 HH TYR 48 HH TYR 48 -5.747 -5.582 -3.992 367 H ASN 49 H ASN 49 -4.529 -8.038 3.185 368 HA ASN 49 HA ASN 49 -4.983 -10.242 3.449 369 HB2 ASN 49 2HB ASN 49 -4.701 -9.986 0.858 370 HB3 ASN 49 1HB ASN 49 -3.222 -10.909 1.110 371 HD21 ASN 49 1HD2 ASN 49 -3.352 -13.075 1.661 372 HD22 ASN 49 2HD2 ASN 49 -4.841 -13.963 1.622 373 H GLY 50 H GLY 50 -2.845 -9.230 4.951 374 HA2 GLY 50 2HA GLY 50 -1.706 -10.425 6.637 375 HA3 GLY 50 1HA GLY 50 -1.533 -11.774 5.531 376 H GLN 51 H GLN 51 -0.532 -9.637 3.467 377 HA GLN 51 HA GLN 51 2.175 -9.488 4.614 378 HB2 GLN 51 2HB GLN 51 2.967 -9.332 2.215 379 HB3 GLN 51 1HB GLN 51 2.325 -10.886 2.717 380 HG2 GLN 51 2HG GLN 51 0.359 -9.081 1.507 381 HG3 GLN 51 1HG GLN 51 1.660 -9.599 0.436 382 HE21 GLN 51 1HE2 GLN 51 -1.211 -10.251 0.472 383 HE22 GLN 51 2HE2 GLN 51 -1.293 -11.980 0.526 384 H THR 52 H THR 52 3.481 -7.643 4.084 385 HA THR 52 HA THR 52 1.967 -5.214 4.327 386 HB THR 52 HB THR 52 4.959 -5.538 4.004 387 HG1 THR 52 HG1 THR 52 3.507 -6.443 5.942 388 HG21 THR 52 3HG2 THR 52 5.065 -3.355 5.110 389 HG22 THR 52 1HG2 THR 52 3.302 -3.287 5.150 390 HG23 THR 52 2HG2 THR 52 4.151 -3.259 3.603 391 H GLY 53 H GLY 53 1.194 -4.078 2.685 392 HA2 GLY 53 2HA GLY 53 2.623 -4.193 0.104 393 HA3 GLY 53 1HA GLY 53 0.868 -4.169 0.221 394 H TYR 54 H TYR 54 1.810 -2.299 -1.341 395 HA TYR 54 HA TYR 54 1.574 0.145 0.258 396 HB2 TYR 54 2HB TYR 54 3.609 -0.334 -1.927 397 HB3 TYR 54 1HB TYR 54 3.249 1.245 -1.237 398 HD1 TYR 54 HD1 TYR 54 3.549 1.481 1.321 399 HD2 TYR 54 HD2 TYR 54 5.268 -1.662 -0.973 400 HE1 TYR 54 HE1 TYR 54 5.199 1.089 3.102 401 HE2 TYR 54 HE2 TYR 54 6.925 -2.060 0.797 402 HH TYR 54 HH TYR 54 7.970 -0.857 2.642 403 H ILE 55 H ILE 55 0.631 1.883 -0.764 404 HA ILE 55 HA ILE 55 -0.320 1.541 -3.514 405 HB ILE 55 HB ILE 55 -2.482 2.704 -2.728 406 HG12 ILE 55 2HG1 ILE 55 -2.437 1.349 -0.170 407 HG13 ILE 55 1HG1 ILE 55 -1.161 2.555 -0.260 408 HG21 ILE 55 1HG2 ILE 55 -2.444 0.447 -3.592 409 HG22 ILE 55 2HG2 ILE 55 -3.558 0.560 -2.227 410 HG23 ILE 55 3HG2 ILE 55 -1.968 -0.175 -2.010 411 HD11 ILE 55 3HD1 ILE 55 -3.191 3.467 0.708 412 HD12 ILE 55 1HD1 ILE 55 -4.083 3.054 -0.757 413 HD13 ILE 55 2HD1 ILE 55 -2.797 4.261 -0.818 414 H GLY 56 H GLY 56 -0.627 3.517 -4.644 415 HA2 GLY 56 2HA GLY 56 1.193 5.548 -3.651 416 HA3 GLY 56 1HA GLY 56 0.512 5.457 -5.271 417 H THR 57 H THR 57 0.672 7.828 -3.741 418 HA THR 57 HA THR 57 -1.836 8.409 -2.539 419 HB THR 57 HB THR 57 -0.894 10.842 -3.167 420 HG1 THR 57 HG1 THR 57 1.153 10.842 -3.731 421 HG21 THR 57 3HG2 THR 57 0.214 9.055 -1.002 422 HG22 THR 57 1HG2 THR 57 -1.259 10.019 -0.901 423 HG23 THR 57 2HG2 THR 57 0.309 10.816 -1.018 424 H ARG 58 H ARG 58 -0.402 8.953 -5.722 425 HA ARG 58 HA ARG 58 -2.659 10.350 -6.774 426 HB2 ARG 58 2HB ARG 58 -0.363 9.041 -8.241 427 HB3 ARG 58 1HB ARG 58 -1.448 10.264 -8.870 428 HG2 ARG 58 2HG ARG 58 -0.576 11.893 -7.312 429 HG3 ARG 58 1HG ARG 58 0.464 10.666 -6.587 430 HD2 ARG 58 2HD ARG 58 1.533 10.378 -8.831 431 HD3 ARG 58 1HD ARG 58 0.601 11.768 -9.386 432 HE ARG 58 HE ARG 58 1.775 12.964 -7.454 433 HH11 ARG 58 1HH1 ARG 58 3.200 10.427 -9.402 434 HH12 ARG 58 2HH1 ARG 58 4.836 10.914 -9.062 435 HH21 ARG 58 1HH2 ARG 58 3.902 13.627 -7.036 436 HH22 ARG 58 2HH2 ARG 58 5.239 12.744 -7.732 437 H TYR 59 H TYR 59 -1.255 7.117 -7.314 438 HA TYR 59 HA TYR 59 -3.818 6.272 -8.439 439 HB2 TYR 59 2HB TYR 59 -1.004 5.238 -8.804 440 HB3 TYR 59 1HB TYR 59 -2.427 4.346 -9.322 441 HD1 TYR 59 HD2 TYR 59 -0.598 7.503 -9.767 442 HD2 TYR 59 HD1 TYR 59 -3.508 4.864 -11.381 443 HE1 TYR 59 HE2 TYR 59 -0.598 8.802 -11.857 444 HE2 TYR 59 HE1 TYR 59 -3.522 6.154 -13.477 445 HH TYR 59 HH TYR 59 -2.958 8.638 -14.117 446 H LEU 60 H LEU 60 -4.996 4.990 -7.288 447 HA LEU 60 HA LEU 60 -3.986 3.428 -5.060 448 HB2 LEU 60 2HB LEU 60 -4.195 5.980 -4.469 449 HB3 LEU 60 1HB LEU 60 -5.915 5.671 -4.468 450 HG LEU 60 HG LEU 60 -4.018 4.156 -2.681 451 HD11 LEU 60 1HD1 LEU 60 -3.749 6.545 -2.250 452 HD12 LEU 60 2HD1 LEU 60 -4.606 5.759 -0.924 453 HD13 LEU 60 3HD1 LEU 60 -5.496 6.723 -2.103 454 HD21 LEU 60 3HD2 LEU 60 -6.269 3.203 -2.983 455 HD22 LEU 60 1HD2 LEU 60 -6.976 4.738 -2.483 456 HD23 LEU 60 2HD2 LEU 60 -6.022 3.794 -1.339 457 H SER 61 H SER 61 -5.818 2.168 -4.082 458 HA SER 61 HA SER 61 -7.691 1.516 -6.171 459 HB2 SER 61 2HB SER 61 -8.408 -0.251 -4.481 460 HB3 SER 61 1HB SER 61 -6.735 -0.339 -5.034 461 HG SER 61 HG SER 61 -7.509 1.024 -2.673 462 H LYS 62 H LYS 62 -9.520 2.523 -6.403 463 HA LYS 62 HA LYS 62 -11.050 3.279 -4.009 464 HB2 LYS 62 2HB LYS 62 -10.518 4.910 -6.472 465 HB3 LYS 62 1HB LYS 62 -12.033 5.115 -5.605 466 HG2 LYS 62 2HG LYS 62 -10.745 6.744 -4.641 467 HG3 LYS 62 1HG LYS 62 -10.486 5.406 -3.525 468 HD2 LYS 62 2HD LYS 62 -8.358 6.371 -3.924 469 HD3 LYS 62 1HD LYS 62 -8.402 4.868 -4.847 470 HE2 LYS 62 2HE LYS 62 -8.861 6.079 -6.886 471 HE3 LYS 62 1HE LYS 62 -8.982 7.597 -5.995 472 HZ1 LYS 62 3HZ LYS 62 -6.644 7.394 -5.394 473 HZ2 LYS 62 1HZ LYS 62 -6.834 7.372 -7.079 474 HZ3 LYS 62 2HZ LYS 62 -6.535 5.932 -6.252 475 H LEU 63 H LEU 63 -12.781 2.090 -3.893 476 HA LEU 63 HA LEU 63 -13.661 0.429 -6.004 477 HB2 LEU 63 2HB LEU 63 -15.066 1.150 -3.431 478 HB3 LEU 63 1HB LEU 63 -15.487 -0.187 -4.481 479 HG LEU 63 HG LEU 63 -12.891 0.092 -2.964 480 HD11 LEU 63 1HD1 LEU 63 -15.256 -1.714 -2.485 481 HD12 LEU 63 2HD1 LEU 63 -14.785 -0.334 -1.494 482 HD13 LEU 63 3HD1 LEU 63 -13.731 -1.742 -1.599 483 HD21 LEU 63 3HD2 LEU 63 -13.958 -2.172 -4.645 484 HD22 LEU 63 1HD2 LEU 63 -12.487 -2.216 -3.670 485 HD23 LEU 63 2HD2 LEU 63 -12.600 -1.121 -5.050 486 H GLU 64 H GLU 64 -14.756 3.523 -4.754 487 HA GLU 64 HA GLU 64 -16.887 3.501 -6.779 488 HB2 GLU 64 2HB GLU 64 -17.296 3.838 -4.183 489 HB3 GLU 64 1HB GLU 64 -16.857 5.497 -4.563 490 HG2 GLU 64 2HG GLU 64 -19.001 4.018 -6.050 491 HG3 GLU 64 1HG GLU 64 -19.322 4.923 -4.573 492 H HIS 65 H HIS 65 -14.989 3.982 -8.201 493 HA HIS 65 HA HIS 65 -14.918 6.909 -8.531 494 HB2 HIS 65 2HB HIS 65 -12.667 5.802 -7.927 495 HB3 HIS 65 1HB HIS 65 -12.733 5.064 -9.520 496 HD1 HIS 65 HD1 HIS 65 -12.034 8.259 -7.766 497 HD2 HIS 65 HD2 HIS 65 -12.343 6.883 -11.685 498 HE1 HIS 65 HE1 HIS 65 -11.060 10.073 -9.207 499 HE2 HIS 65 HE2 HIS 65 -11.444 9.312 -11.574 500 H HIS 66 H HIS 66 -16.307 4.247 -9.445 501 HA HIS 66 HA HIS 66 -16.662 5.047 -12.220 502 HB2 HIS 66 2HB HIS 66 -14.926 3.412 -12.469 503 HB3 HIS 66 1HB HIS 66 -15.702 2.317 -11.331 504 HD1 HIS 66 HD1 HIS 66 -15.995 3.574 -14.885 505 HD2 HIS 66 HD2 HIS 66 -17.579 0.609 -12.428 506 HE1 HIS 66 HE1 HIS 66 -17.289 2.043 -16.406 507 HE2 HIS 66 HE2 HIS 66 -18.418 0.396 -14.865 508 H HIS 67 H HIS 67 -18.766 5.571 -11.954 509 HA HIS 67 HA HIS 67 -20.665 4.051 -10.523 510 HB2 HIS 67 2HB HIS 67 -22.357 5.362 -11.664 511 HB3 HIS 67 1HB HIS 67 -21.018 6.417 -11.228 512 HD1 HIS 67 HD1 HIS 67 -23.135 5.516 -14.020 513 HD2 HIS 67 HD2 HIS 67 -19.248 6.927 -13.541 514 HE1 HIS 67 HE1 HIS 67 -22.455 6.423 -16.266 515 HE2 HIS 67 HE2 HIS 67 -20.039 7.092 -15.999 516 H HIS 68 H HIS 68 -22.476 2.821 -11.466 517 HA HIS 68 HA HIS 68 -21.567 1.326 -13.827 518 HB2 HIS 68 2HB HIS 68 -22.629 -0.711 -12.843 519 HB3 HIS 68 1HB HIS 68 -21.232 -0.129 -11.953 520 HD1 HIS 68 HD1 HIS 68 -21.610 0.699 -9.548 521 HD2 HIS 68 HD2 HIS 68 -25.092 -0.542 -11.466 522 HE1 HIS 68 HE1 HIS 68 -23.362 0.539 -7.749 523 HE2 HIS 68 HE2 HIS 68 -25.485 -0.110 -8.942 524 H HIS 69 H HIS 69 -22.800 2.142 -15.385 525 HA HIS 69 HA HIS 69 -25.654 2.459 -15.056 526 HB2 HIS 69 2HB HIS 69 -24.076 3.785 -16.650 527 HB3 HIS 69 1HB HIS 69 -24.193 2.380 -17.699 528 HD1 HIS 69 HD1 HIS 69 -25.250 4.352 -19.303 529 HD2 HIS 69 HD2 HIS 69 -27.575 3.026 -16.113 530 HE1 HIS 69 HE1 HIS 69 -27.604 5.067 -19.824 531 HE2 HIS 69 HE2 HIS 69 -29.010 4.137 -17.956 532 H HIS 70 H HIS 70 -27.227 1.119 -16.120 533 HA HIS 70 HA HIS 70 -28.173 -0.863 -16.705 534 HB2 HIS 70 2HB HIS 70 -25.341 -1.686 -17.363 535 HB3 HIS 70 1HB HIS 70 -26.714 -2.770 -17.522 536 HD1 HIS 70 HD1 HIS 70 -27.989 -2.674 -19.648 537 HD2 HIS 70 HD2 HIS 70 -25.447 0.586 -19.167 538 HE1 HIS 70 HE1 HIS 70 -28.041 -1.441 -21.842 539 HE2 HIS 70 HE2 HIS 70 -26.391 0.449 -21.573 Start of MODEL 20 1 H1 MET 1 1H MET 1 10.734 9.382 -25.824 2 H2 MET 1 2H MET 1 11.355 8.964 -24.307 3 H3 MET 1 3H MET 1 10.961 10.576 -24.648 4 HA MET 1 HA MET 1 9.306 9.513 -23.240 5 HB2 MET 1 2HB MET 1 8.587 11.314 -24.727 6 HB3 MET 1 1HB MET 1 8.363 10.168 -26.041 7 HG2 MET 1 2HG MET 1 6.602 9.053 -24.744 8 HG3 MET 1 1HG MET 1 6.811 10.247 -23.465 9 HE1 MET 1 3HE MET 1 3.340 11.148 -25.114 10 HE2 MET 1 1HE MET 1 4.157 10.659 -23.630 11 HE3 MET 1 2HE MET 1 4.027 9.529 -24.978 12 H ILE 2 H ILE 2 8.581 7.619 -22.627 13 HA ILE 2 HA ILE 2 7.936 5.584 -24.662 14 HB ILE 2 HB ILE 2 10.185 5.103 -23.720 15 HG12 ILE 2 2HG1 ILE 2 9.725 2.754 -23.030 16 HG13 ILE 2 1HG1 ILE 2 8.011 3.147 -22.952 17 HG21 ILE 2 1HG2 ILE 2 9.881 6.078 -21.513 18 HG22 ILE 2 2HG2 ILE 2 10.414 4.400 -21.395 19 HG23 ILE 2 3HG2 ILE 2 8.724 4.813 -21.102 20 HD11 ILE 2 3HD1 ILE 2 8.043 3.686 -25.340 21 HD12 ILE 2 1HD1 ILE 2 8.538 2.022 -25.024 22 HD13 ILE 2 2HD1 ILE 2 9.749 3.247 -25.403 23 H GLY 3 H GLY 3 7.253 7.206 -21.753 24 HA2 GLY 3 2HA GLY 3 4.621 6.529 -21.435 25 HA3 GLY 3 1HA GLY 3 5.503 5.276 -20.557 26 H ASP 4 H ASP 4 5.908 8.733 -21.040 27 HA ASP 4 HA ASP 4 7.142 8.971 -18.454 28 HB2 ASP 4 2HB ASP 4 6.642 11.046 -20.602 29 HB3 ASP 4 1HB ASP 4 7.667 11.254 -19.188 30 H TYR 5 H TYR 5 6.578 10.556 -16.909 31 HA TYR 5 HA TYR 5 5.202 11.643 -15.494 32 HB2 TYR 5 2HB TYR 5 3.826 12.287 -18.091 33 HB3 TYR 5 1HB TYR 5 3.192 12.853 -16.549 34 HD1 TYR 5 HD2 TYR 5 6.172 12.967 -18.759 35 HD2 TYR 5 HD1 TYR 5 4.099 14.739 -15.495 36 HE1 TYR 5 HE2 TYR 5 7.712 14.879 -18.826 37 HE2 TYR 5 HE1 TYR 5 5.637 16.656 -15.551 38 HH TYR 5 HH TYR 5 7.874 17.134 -18.146 39 H TYR 6 H TYR 6 4.837 9.438 -14.711 40 HA TYR 6 HA TYR 6 2.081 8.564 -15.110 41 HB2 TYR 6 2HB TYR 6 2.725 6.574 -13.768 42 HB3 TYR 6 1HB TYR 6 3.683 6.766 -15.224 43 HD1 TYR 6 HD2 TYR 6 6.032 7.849 -14.930 44 HD2 TYR 6 HD1 TYR 6 3.758 6.232 -11.716 45 HE1 TYR 6 HE2 TYR 6 8.088 7.599 -13.605 46 HE2 TYR 6 HE1 TYR 6 5.808 5.980 -10.385 47 HH TYR 6 HH TYR 6 8.743 7.437 -11.203 48 H ILE 7 H ILE 7 0.757 9.850 -14.009 49 HA ILE 7 HA ILE 7 1.152 10.144 -11.144 50 HB ILE 7 HB ILE 7 2.394 12.032 -11.926 51 HG12 ILE 7 2HG1 ILE 7 1.007 13.948 -11.064 52 HG13 ILE 7 1HG1 ILE 7 -0.355 12.835 -10.963 53 HG21 ILE 7 1HG2 ILE 7 1.549 12.168 -14.192 54 HG22 ILE 7 2HG2 ILE 7 1.473 13.743 -13.404 55 HG23 ILE 7 3HG2 ILE 7 0.006 12.783 -13.600 56 HD11 ILE 7 3HD1 ILE 7 0.931 11.441 -9.403 57 HD12 ILE 7 1HD1 ILE 7 0.688 13.083 -8.804 58 HD13 ILE 7 2HD1 ILE 7 2.250 12.609 -9.473 59 H ASN 8 H ASN 8 -0.695 9.147 -10.630 60 HA ASN 8 HA ASN 8 -2.865 8.887 -10.130 61 HB2 ASN 8 2HB ASN 8 -3.033 11.736 -11.095 62 HB3 ASN 8 1HB ASN 8 -4.414 10.867 -10.433 63 HD21 ASN 8 1HD2 ASN 8 -4.422 10.312 -8.248 64 HD22 ASN 8 2HD2 ASN 8 -3.374 11.080 -7.110 65 H ALA 9 H ALA 9 -3.571 10.987 -12.888 66 HA ALA 9 HA ALA 9 -4.876 10.646 -14.722 67 HB1 ALA 9 3HB ALA 9 -4.376 8.656 -16.067 68 HB2 ALA 9 1HB ALA 9 -3.515 7.947 -14.701 69 HB3 ALA 9 2HB ALA 9 -2.900 9.412 -15.467 70 H SER 10 H SER 10 -6.045 8.159 -15.626 71 HA SER 10 HA SER 10 -7.725 7.419 -13.338 72 HB2 SER 10 2HB SER 10 -9.570 7.024 -15.056 73 HB3 SER 10 1HB SER 10 -9.168 8.708 -14.718 74 HG SER 10 HG SER 10 -9.022 7.325 -17.044 75 H ALA 11 H ALA 11 -6.254 5.718 -12.971 76 HA ALA 11 HA ALA 11 -6.692 3.398 -14.678 77 HB1 ALA 11 3HB ALA 11 -3.913 4.324 -13.943 78 HB2 ALA 11 1HB ALA 11 -4.639 4.451 -15.547 79 HB3 ALA 11 2HB ALA 11 -4.333 2.864 -14.840 80 H LEU 12 H LEU 12 -5.695 1.415 -13.626 81 HA LEU 12 HA LEU 12 -6.081 1.629 -10.719 82 HB2 LEU 12 2HB LEU 12 -6.989 -0.609 -10.711 83 HB3 LEU 12 1HB LEU 12 -7.888 0.394 -11.828 84 HG LEU 12 HG LEU 12 -5.780 -1.610 -12.659 85 HD11 LEU 12 1HD1 LEU 12 -7.656 -3.001 -13.376 86 HD12 LEU 12 2HD1 LEU 12 -8.784 -1.835 -12.685 87 HD13 LEU 12 3HD1 LEU 12 -7.681 -2.723 -11.634 88 HD21 LEU 12 3HD2 LEU 12 -6.096 0.199 -14.269 89 HD22 LEU 12 1HD2 LEU 12 -7.834 -0.099 -14.273 90 HD23 LEU 12 2HD2 LEU 12 -6.727 -1.325 -14.891 91 H ASN 13 H ASN 13 -4.343 1.301 -9.570 92 HA ASN 13 HA ASN 13 -1.994 0.059 -10.696 93 HB2 ASN 13 2HB ASN 13 -2.045 2.121 -9.178 94 HB3 ASN 13 1HB ASN 13 -2.340 0.999 -7.858 95 HD21 ASN 13 1HD2 ASN 13 -0.026 2.259 -10.079 96 HD22 ASN 13 2HD2 ASN 13 1.363 1.492 -9.384 97 H VAL 14 H VAL 14 -4.704 -0.959 -9.018 98 HA VAL 14 HA VAL 14 -3.566 -2.748 -7.143 99 HB VAL 14 HB VAL 14 -5.758 -1.747 -6.839 100 HG11 VAL 14 1HG1 VAL 14 -6.567 -1.760 -9.114 101 HG12 VAL 14 2HG1 VAL 14 -7.715 -2.596 -8.068 102 HG13 VAL 14 3HG1 VAL 14 -6.636 -3.520 -9.113 103 HG21 VAL 14 3HG2 VAL 14 -5.294 -3.737 -5.580 104 HG22 VAL 14 1HG2 VAL 14 -5.797 -4.757 -6.927 105 HG23 VAL 14 2HG2 VAL 14 -6.983 -3.758 -6.086 106 H ARG 15 H ARG 15 -3.968 -3.100 -10.502 107 HA ARG 15 HA ARG 15 -3.927 -6.017 -10.204 108 HB2 ARG 15 2HB ARG 15 -4.306 -4.360 -12.710 109 HB3 ARG 15 1HB ARG 15 -4.367 -6.115 -12.623 110 HG2 ARG 15 2HG ARG 15 -6.242 -4.258 -11.175 111 HG3 ARG 15 1HG ARG 15 -6.593 -5.052 -12.710 112 HD2 ARG 15 2HD ARG 15 -5.857 -6.570 -10.217 113 HD3 ARG 15 1HD ARG 15 -7.520 -6.153 -10.620 114 HE ARG 15 HE ARG 15 -6.698 -7.386 -12.861 115 HH11 ARG 15 1HH1 ARG 15 -6.404 -8.292 -9.491 116 HH12 ARG 15 2HH1 ARG 15 -6.529 -9.996 -9.798 117 HH21 ARG 15 1HH2 ARG 15 -6.855 -9.627 -13.268 118 HH22 ARG 15 2HH2 ARG 15 -6.762 -10.756 -11.954 119 H SER 16 H SER 16 -1.772 -5.548 -9.276 120 HA SER 16 HA SER 16 0.496 -5.502 -9.329 121 HB2 SER 16 2HB SER 16 1.494 -7.079 -10.940 122 HB3 SER 16 1HB SER 16 0.062 -7.748 -10.170 123 HG SER 16 HG SER 16 -0.627 -6.434 -12.423 124 H GLY 17 H GLY 17 -0.348 -3.108 -10.152 125 HA2 GLY 17 2HA GLY 17 0.525 -2.408 -12.788 126 HA3 GLY 17 1HA GLY 17 0.010 -1.296 -11.531 127 H GLU 18 H GLU 18 1.550 -0.485 -10.055 128 HA GLU 18 HA GLU 18 4.326 -1.101 -10.356 129 HB2 GLU 18 2HB GLU 18 4.043 0.166 -12.401 130 HB3 GLU 18 1HB GLU 18 3.263 1.477 -11.527 131 HG2 GLU 18 2HG GLU 18 5.279 2.108 -10.480 132 HG3 GLU 18 1HG GLU 18 6.087 0.622 -10.978 133 H GLY 19 H GLY 19 4.908 -1.036 -8.322 134 HA2 GLY 19 2HA GLY 19 4.835 1.389 -6.813 135 HA3 GLY 19 1HA GLY 19 3.706 0.189 -6.188 136 H THR 20 H THR 20 5.219 0.420 -4.269 137 HA THR 20 HA THR 20 7.827 -0.702 -4.446 138 HB THR 20 HB THR 20 6.139 -0.606 -1.946 139 HG1 THR 20 HG1 THR 20 7.762 1.524 -2.902 140 HG21 THR 20 3HG2 THR 20 8.314 -1.738 -1.790 141 HG22 THR 20 1HG2 THR 20 8.299 -0.244 -0.855 142 HG23 THR 20 2HG2 THR 20 9.108 -0.295 -2.421 143 H ASN 21 H ASN 21 4.678 -1.955 -3.375 144 HA ASN 21 HA ASN 21 5.697 -4.670 -3.924 145 HB2 ASN 21 2HB ASN 21 5.123 -4.203 -1.494 146 HB3 ASN 21 1HB ASN 21 3.452 -4.006 -2.007 147 HD21 ASN 21 1HD2 ASN 21 4.763 -5.956 -0.225 148 HD22 ASN 21 2HD2 ASN 21 4.325 -7.508 -0.846 149 H TYR 22 H TYR 22 5.079 -4.683 -6.031 150 HA TYR 22 HA TYR 22 2.258 -4.151 -6.662 151 HB2 TYR 22 2HB TYR 22 3.002 -3.743 -8.965 152 HB3 TYR 22 1HB TYR 22 3.859 -2.702 -7.835 153 HD1 TYR 22 HD2 TYR 22 6.230 -3.384 -7.152 154 HD2 TYR 22 HD1 TYR 22 4.178 -5.143 -10.438 155 HE1 TYR 22 HE2 TYR 22 8.374 -4.172 -8.061 156 HE2 TYR 22 HE1 TYR 22 6.315 -5.947 -11.349 157 HH TYR 22 HH TYR 22 9.149 -6.044 -9.579 158 H ARG 23 H ARG 23 3.831 -6.673 -5.761 159 HA ARG 23 HA ARG 23 4.258 -8.535 -7.700 160 HB2 ARG 23 2HB ARG 23 3.102 -8.900 -4.938 161 HB3 ARG 23 1HB ARG 23 3.600 -10.244 -5.954 162 HG2 ARG 23 2HG ARG 23 5.511 -8.032 -5.330 163 HG3 ARG 23 1HG ARG 23 5.226 -9.333 -4.171 164 HD2 ARG 23 2HD ARG 23 6.124 -9.678 -7.031 165 HD3 ARG 23 1HD ARG 23 7.154 -9.812 -5.605 166 HE ARG 23 HE ARG 23 4.846 -11.573 -5.665 167 HH11 ARG 23 1HH1 ARG 23 8.268 -11.210 -6.319 168 HH12 ARG 23 2HH1 ARG 23 8.573 -12.924 -6.309 169 HH21 ARG 23 1HH2 ARG 23 5.239 -13.805 -5.666 170 HH22 ARG 23 2HH2 ARG 23 6.847 -14.403 -5.944 171 H ILE 24 H ILE 24 1.145 -8.268 -5.943 172 HA ILE 24 HA ILE 24 -0.131 -9.455 -8.315 173 HB ILE 24 HB ILE 24 0.019 -11.009 -6.358 174 HG12 ILE 24 2HG1 ILE 24 -1.872 -10.976 -8.161 175 HG13 ILE 24 1HG1 ILE 24 -2.033 -12.012 -6.749 176 HG21 ILE 24 1HG2 ILE 24 -0.228 -9.421 -4.560 177 HG22 ILE 24 2HG2 ILE 24 -1.468 -10.671 -4.444 178 HG23 ILE 24 3HG2 ILE 24 -1.882 -9.070 -5.061 179 HD11 ILE 24 3HD1 ILE 24 -3.346 -9.331 -7.144 180 HD12 ILE 24 1HD1 ILE 24 -3.512 -10.359 -5.721 181 HD13 ILE 24 2HD1 ILE 24 -4.124 -10.909 -7.281 182 H ILE 25 H ILE 25 -0.046 -6.827 -6.162 183 HA ILE 25 HA ILE 25 -2.616 -5.829 -7.100 184 HB ILE 25 HB ILE 25 -3.003 -5.002 -4.667 185 HG12 ILE 25 2HG1 ILE 25 -2.255 -6.754 -2.994 186 HG13 ILE 25 1HG1 ILE 25 -1.157 -7.364 -4.226 187 HG21 ILE 25 1HG2 ILE 25 -4.500 -6.473 -5.832 188 HG22 ILE 25 2HG2 ILE 25 -4.281 -7.067 -4.185 189 HG23 ILE 25 3HG2 ILE 25 -3.446 -7.853 -5.527 190 HD11 ILE 25 3HD1 ILE 25 -0.007 -5.943 -2.640 191 HD12 ILE 25 1HD1 ILE 25 -1.103 -4.611 -3.008 192 HD13 ILE 25 2HD1 ILE 25 0.001 -5.214 -4.246 193 H GLY 26 H GLY 26 -2.766 -3.560 -5.481 194 HA2 GLY 26 2HA GLY 26 -0.416 -2.087 -5.230 195 HA3 GLY 26 1HA GLY 26 -1.032 -1.803 -6.847 196 H ALA 27 H ALA 27 -3.274 -1.015 -6.999 197 HA ALA 27 HA ALA 27 -3.514 1.272 -5.320 198 HB1 ALA 27 3HB ALA 27 -5.364 0.293 -7.482 199 HB2 ALA 27 1HB ALA 27 -4.021 1.420 -7.685 200 HB3 ALA 27 2HB ALA 27 -5.418 1.880 -6.713 201 H LEU 28 H LEU 28 -5.741 1.910 -4.498 202 HA LEU 28 HA LEU 28 -7.013 -0.358 -3.138 203 HB2 LEU 28 2HB LEU 28 -5.891 1.408 -1.723 204 HB3 LEU 28 1HB LEU 28 -7.083 2.549 -2.313 205 HG LEU 28 HG LEU 28 -8.064 0.057 -0.985 206 HD11 LEU 28 1HD1 LEU 28 -6.978 2.457 0.490 207 HD12 LEU 28 2HD1 LEU 28 -6.283 0.835 0.495 208 HD13 LEU 28 3HD1 LEU 28 -7.871 1.115 1.207 209 HD21 LEU 28 3HD2 LEU 28 -8.986 2.933 -0.929 210 HD22 LEU 28 1HD2 LEU 28 -9.835 1.548 -0.240 211 HD23 LEU 28 2HD2 LEU 28 -9.628 1.676 -1.987 212 HA PRO 29 HA PRO 29 -10.105 1.014 -6.236 213 HB2 PRO 29 2HB PRO 29 -11.322 -1.410 -6.446 214 HB3 PRO 29 1HB PRO 29 -9.871 -0.969 -7.351 215 HG2 PRO 29 2HG PRO 29 -10.135 -2.615 -4.873 216 HG3 PRO 29 1HG PRO 29 -9.079 -2.858 -6.275 217 HD2 PRO 29 2HD PRO 29 -8.220 -1.789 -3.923 218 HD3 PRO 29 1HD PRO 29 -7.497 -1.393 -5.493 219 H GLN 30 H GLN 30 -11.061 -1.403 -3.783 220 HA GLN 30 HA GLN 30 -13.163 0.458 -2.886 221 HB2 GLN 30 2HB GLN 30 -13.144 -2.564 -2.918 222 HB3 GLN 30 1HB GLN 30 -14.314 -1.625 -2.009 223 HG2 GLN 30 2HG GLN 30 -13.951 -1.401 -4.985 224 HG3 GLN 30 1HG GLN 30 -15.100 -2.491 -4.214 225 HE21 GLN 30 1HE2 GLN 30 -16.912 -1.545 -5.037 226 HE22 GLN 30 2HE2 GLN 30 -17.452 0.040 -4.576 227 H GLY 31 H GLY 31 -10.781 -1.971 -1.965 228 HA2 GLY 31 2HA GLY 31 -9.249 -1.620 -0.180 229 HA3 GLY 31 1HA GLY 31 -10.422 -0.549 0.575 230 H GLN 32 H GLN 32 -12.017 -3.203 -0.570 231 HA GLN 32 HA GLN 32 -12.561 -4.092 2.106 232 HB2 GLN 32 2HB GLN 32 -14.275 -3.838 0.275 233 HB3 GLN 32 1HB GLN 32 -13.574 -5.257 -0.490 234 HG2 GLN 32 2HG GLN 32 -14.115 -6.575 1.508 235 HG3 GLN 32 1HG GLN 32 -14.861 -5.147 2.227 236 HE21 GLN 32 1HE2 GLN 32 -16.887 -6.065 2.352 237 HE22 GLN 32 2HE2 GLN 32 -17.863 -6.375 0.955 238 H LYS 33 H LYS 33 -10.189 -4.689 2.269 239 HA LYS 33 HA LYS 33 -9.923 -7.442 2.566 240 HB2 LYS 33 2HB LYS 33 -9.309 -6.585 -0.104 241 HB3 LYS 33 1HB LYS 33 -7.823 -7.096 0.683 242 HG2 LYS 33 2HG LYS 33 -8.994 -9.221 1.315 243 HG3 LYS 33 1HG LYS 33 -10.332 -8.707 0.286 244 HD2 LYS 33 2HD LYS 33 -8.794 -8.605 -1.634 245 HD3 LYS 33 1HD LYS 33 -7.479 -9.161 -0.596 246 HE2 LYS 33 2HE LYS 33 -8.814 -11.218 -0.134 247 HE3 LYS 33 1HE LYS 33 -9.986 -10.666 -1.330 248 HZ1 LYS 33 3HZ LYS 33 -7.139 -11.362 -1.811 249 HZ2 LYS 33 1HZ LYS 33 -8.154 -10.664 -2.977 250 HZ3 LYS 33 2HZ LYS 33 -8.504 -12.203 -2.362 251 H VAL 34 H VAL 34 -8.049 -4.569 1.676 252 HA VAL 34 HA VAL 34 -6.092 -5.218 3.744 253 HB VAL 34 HB VAL 34 -5.208 -4.684 1.523 254 HG11 VAL 34 1HG1 VAL 34 -6.934 -3.161 0.737 255 HG12 VAL 34 2HG1 VAL 34 -5.337 -2.422 0.607 256 HG13 VAL 34 3HG1 VAL 34 -6.423 -1.954 1.916 257 HG21 VAL 34 3HG2 VAL 34 -3.839 -4.202 3.451 258 HG22 VAL 34 1HG2 VAL 34 -4.571 -2.604 3.601 259 HG23 VAL 34 2HG2 VAL 34 -3.573 -2.988 2.198 260 H GLN 35 H GLN 35 -8.377 -2.713 2.786 261 HA GLN 35 HA GLN 35 -9.374 -1.012 3.876 262 HB2 GLN 35 2HB GLN 35 -8.426 -2.562 6.282 263 HB3 GLN 35 1HB GLN 35 -9.446 -1.132 6.396 264 HG2 GLN 35 2HG GLN 35 -11.199 -2.211 5.164 265 HG3 GLN 35 1HG GLN 35 -10.169 -3.599 4.834 266 HE21 GLN 35 1HE2 GLN 35 -10.240 -1.990 7.937 267 HE22 GLN 35 2HE2 GLN 35 -11.009 -3.283 8.792 268 H VAL 36 H VAL 36 -8.920 0.799 5.612 269 HA VAL 36 HA VAL 36 -6.366 1.885 4.786 270 HB VAL 36 HB VAL 36 -7.153 3.999 5.846 271 HG11 VAL 36 1HG1 VAL 36 -8.836 4.485 4.145 272 HG12 VAL 36 2HG1 VAL 36 -9.039 2.759 3.843 273 HG13 VAL 36 3HG1 VAL 36 -7.502 3.544 3.473 274 HG21 VAL 36 3HG2 VAL 36 -8.632 3.073 7.545 275 HG22 VAL 36 1HG2 VAL 36 -9.700 2.440 6.295 276 HG23 VAL 36 2HG2 VAL 36 -9.516 4.183 6.498 277 H ILE 37 H ILE 37 -4.606 1.751 5.950 278 HA ILE 37 HA ILE 37 -4.847 1.356 8.849 279 HB ILE 37 HB ILE 37 -2.501 0.745 7.051 280 HG12 ILE 37 2HG1 ILE 37 -3.832 -1.417 8.532 281 HG13 ILE 37 1HG1 ILE 37 -4.831 -0.664 7.296 282 HG21 ILE 37 1HG2 ILE 37 -1.511 -0.332 9.002 283 HG22 ILE 37 2HG2 ILE 37 -2.882 0.173 9.988 284 HG23 ILE 37 3HG2 ILE 37 -1.795 1.381 9.304 285 HD11 ILE 37 3HD1 ILE 37 -3.664 -2.608 6.444 286 HD12 ILE 37 1HD1 ILE 37 -2.117 -1.876 6.865 287 HD13 ILE 37 2HD1 ILE 37 -3.134 -1.138 5.625 288 H SER 38 H SER 38 -2.743 3.008 6.473 289 HA SER 38 HA SER 38 -2.990 5.472 7.887 290 HB2 SER 38 2HB SER 38 -0.486 5.699 8.302 291 HB3 SER 38 1HB SER 38 -1.354 4.614 9.388 292 HG SER 38 HG SER 38 -0.595 3.151 7.347 293 H GLU 39 H GLU 39 -2.168 7.229 6.759 294 HA GLU 39 HA GLU 39 -1.315 6.631 3.997 295 HB2 GLU 39 2HB GLU 39 -3.424 8.348 5.068 296 HB3 GLU 39 1HB GLU 39 -2.403 9.143 3.890 297 HG2 GLU 39 2HG GLU 39 -3.497 6.458 3.251 298 HG3 GLU 39 1HG GLU 39 -4.562 7.860 3.163 299 H ASN 40 H ASN 40 0.302 7.853 3.131 300 HA ASN 40 HA ASN 40 1.529 9.885 4.868 301 HB2 ASN 40 2HB ASN 40 3.174 8.313 2.923 302 HB3 ASN 40 1HB ASN 40 3.689 9.245 4.306 303 HD21 ASN 40 1HD2 ASN 40 1.849 8.134 6.192 304 HD22 ASN 40 2HD2 ASN 40 2.375 6.516 6.521 305 H SER 41 H SER 41 3.047 11.248 3.547 306 HA SER 41 HA SER 41 1.713 12.160 1.178 307 HB2 SER 41 2HB SER 41 4.133 13.128 2.693 308 HB3 SER 41 1HB SER 41 3.508 13.888 1.243 309 HG SER 41 HG SER 41 1.420 13.647 2.736 310 H GLY 42 H GLY 42 2.067 10.220 -0.026 311 HA2 GLY 42 2HA GLY 42 3.578 10.232 -2.140 312 HA3 GLY 42 1HA GLY 42 4.825 9.839 -0.966 313 H TRP 43 H TRP 43 3.755 8.035 0.659 314 HA TRP 43 HA TRP 43 2.851 5.872 -1.124 315 HB2 TRP 43 2HB TRP 43 4.870 5.801 1.111 316 HB3 TRP 43 1HB TRP 43 4.046 4.345 0.570 317 HD1 TRP 43 HD1 TRP 43 4.564 6.273 -2.463 318 HE1 TRP 43 HE1 TRP 43 6.695 5.523 -3.701 319 HE3 TRP 43 HE3 TRP 43 6.734 3.552 1.272 320 HZ2 TRP 43 HZ2 TRP 43 8.985 3.964 -3.158 321 HZ3 TRP 43 HZ3 TRP 43 8.895 2.452 0.832 322 HH2 TRP 43 HH2 TRP 43 9.992 2.654 -1.342 323 H SER 44 H SER 44 1.456 4.326 -0.232 324 HA SER 44 HA SER 44 0.138 5.177 2.262 325 HB2 SER 44 2HB SER 44 -1.092 4.952 -0.068 326 HB3 SER 44 1HB SER 44 -1.152 3.252 0.377 327 HG SER 44 HG SER 44 -2.260 5.491 1.701 328 H LYS 45 H LYS 45 0.529 3.943 3.937 329 HA LYS 45 HA LYS 45 2.001 1.505 3.636 330 HB2 LYS 45 2HB LYS 45 2.605 3.164 5.296 331 HB3 LYS 45 1HB LYS 45 1.024 3.020 6.047 332 HG2 LYS 45 2HG LYS 45 1.494 0.801 6.762 333 HG3 LYS 45 1HG LYS 45 3.011 0.779 5.852 334 HD2 LYS 45 2HD LYS 45 2.355 2.667 8.095 335 HD3 LYS 45 1HD LYS 45 3.352 1.230 8.231 336 HE2 LYS 45 2HE LYS 45 4.958 2.119 6.689 337 HE3 LYS 45 1HE LYS 45 3.925 3.502 6.356 338 HZ1 LYS 45 3HZ LYS 45 5.086 2.913 9.027 339 HZ2 LYS 45 1HZ LYS 45 4.266 4.317 8.549 340 HZ3 LYS 45 2HZ LYS 45 5.792 3.965 7.899 341 H ILE 46 H ILE 46 1.169 -0.451 3.604 342 HA ILE 46 HA ILE 46 -1.433 -0.962 4.827 343 HB ILE 46 HB ILE 46 -2.231 -2.144 2.783 344 HG12 ILE 46 2HG1 ILE 46 0.047 -0.691 1.423 345 HG13 ILE 46 1HG1 ILE 46 -0.012 -2.425 1.717 346 HG21 ILE 46 1HG2 ILE 46 -1.724 0.811 2.472 347 HG22 ILE 46 2HG2 ILE 46 -3.075 0.063 3.323 348 HG23 ILE 46 3HG2 ILE 46 -2.924 -0.123 1.577 349 HD11 ILE 46 3HD1 ILE 46 -1.913 -0.862 -0.015 350 HD12 ILE 46 1HD1 ILE 46 -1.975 -2.600 0.277 351 HD13 ILE 46 2HD1 ILE 46 -0.601 -1.897 -0.578 352 H ASN 47 H ASN 47 -1.858 -3.134 5.250 353 HA ASN 47 HA ASN 47 0.345 -5.016 4.750 354 HB2 ASN 47 2HB ASN 47 -1.584 -4.832 7.072 355 HB3 ASN 47 1HB ASN 47 -0.653 -6.285 6.732 356 HD21 ASN 47 1HD2 ASN 47 -0.545 -3.016 7.877 357 HD22 ASN 47 2HD2 ASN 47 1.076 -3.061 8.478 358 H TYR 48 H TYR 48 -0.175 -6.465 3.248 359 HA TYR 48 HA TYR 48 -3.046 -6.926 2.763 360 HB2 TYR 48 2HB TYR 48 -1.763 -5.478 1.080 361 HB3 TYR 48 1HB TYR 48 -0.927 -6.954 0.620 362 HD1 TYR 48 HD1 TYR 48 -4.205 -5.274 0.699 363 HD2 TYR 48 HD2 TYR 48 -1.989 -8.597 -0.755 364 HE1 TYR 48 HE1 TYR 48 -6.040 -5.809 -0.847 365 HE2 TYR 48 HE2 TYR 48 -3.818 -9.144 -2.305 366 HH TYR 48 HH TYR 48 -6.056 -8.748 -2.742 367 H ASN 49 H ASN 49 -3.547 -8.931 3.296 368 HA ASN 49 HA ASN 49 -3.551 -11.205 3.413 369 HB2 ASN 49 2HB ASN 49 -3.226 -10.744 0.869 370 HB3 ASN 49 1HB ASN 49 -1.580 -11.300 1.142 371 HD21 ASN 49 1HD2 ASN 49 -1.211 -13.480 1.591 372 HD22 ASN 49 2HD2 ASN 49 -2.442 -14.689 1.393 373 H GLY 50 H GLY 50 -1.592 -9.750 4.978 374 HA2 GLY 50 2HA GLY 50 -0.291 -10.722 6.689 375 HA3 GLY 50 1HA GLY 50 0.036 -12.085 5.635 376 H GLN 51 H GLN 51 0.662 -9.751 3.554 377 HA GLN 51 HA GLN 51 3.448 -9.550 4.459 378 HB2 GLN 51 2HB GLN 51 4.058 -9.097 2.130 379 HB3 GLN 51 1HB GLN 51 3.226 -10.633 2.297 380 HG2 GLN 51 2HG GLN 51 1.211 -9.715 1.394 381 HG3 GLN 51 1HG GLN 51 1.893 -8.090 1.401 382 HE21 GLN 51 1HE2 GLN 51 1.518 -7.867 -0.806 383 HE22 GLN 51 2HE2 GLN 51 2.492 -8.668 -1.988 384 H THR 52 H THR 52 4.568 -7.634 4.385 385 HA THR 52 HA THR 52 2.927 -5.269 4.763 386 HB THR 52 HB THR 52 5.935 -5.565 4.932 387 HG1 THR 52 HG1 THR 52 4.616 -6.855 6.451 388 HG21 THR 52 3HG2 THR 52 5.166 -3.254 4.621 389 HG22 THR 52 1HG2 THR 52 5.838 -3.499 6.234 390 HG23 THR 52 2HG2 THR 52 4.091 -3.428 6.007 391 H GLY 53 H GLY 53 2.429 -3.972 3.098 392 HA2 GLY 53 2HA GLY 53 4.343 -3.860 0.853 393 HA3 GLY 53 1HA GLY 53 2.612 -4.013 0.585 394 H TYR 54 H TYR 54 4.536 -1.931 -0.235 395 HA TYR 54 HA TYR 54 2.949 0.322 0.797 396 HB2 TYR 54 2HB TYR 54 5.841 0.509 -0.079 397 HB3 TYR 54 1HB TYR 54 4.862 1.786 0.638 398 HD1 TYR 54 HD1 TYR 54 4.057 1.449 3.046 399 HD2 TYR 54 HD2 TYR 54 7.123 -0.898 1.267 400 HE1 TYR 54 HE1 TYR 54 4.837 0.786 5.283 401 HE2 TYR 54 HE2 TYR 54 7.914 -1.568 3.492 402 HH TYR 54 HH TYR 54 6.127 -1.148 6.291 403 H ILE 55 H ILE 55 2.137 1.676 -0.735 404 HA ILE 55 HA ILE 55 3.052 1.327 -3.492 405 HB ILE 55 HB ILE 55 0.646 1.561 -4.248 406 HG12 ILE 55 2HG1 ILE 55 -0.937 0.443 -2.468 407 HG13 ILE 55 1HG1 ILE 55 0.221 1.099 -1.315 408 HG21 ILE 55 1HG2 ILE 55 1.871 -0.512 -4.457 409 HG22 ILE 55 2HG2 ILE 55 0.196 -0.844 -4.016 410 HG23 ILE 55 3HG2 ILE 55 1.467 -0.948 -2.797 411 HD11 ILE 55 3HD1 ILE 55 -1.697 2.569 -1.630 412 HD12 ILE 55 1HD1 ILE 55 -1.319 2.701 -3.346 413 HD13 ILE 55 2HD1 ILE 55 -0.197 3.339 -2.145 414 H GLY 56 H GLY 56 2.394 3.148 -4.892 415 HA2 GLY 56 2HA GLY 56 2.898 5.601 -3.473 416 HA3 GLY 56 1HA GLY 56 2.748 5.412 -5.213 417 H THR 57 H THR 57 1.421 6.933 -2.690 418 HA THR 57 HA THR 57 -1.354 6.595 -2.972 419 HB THR 57 HB THR 57 0.075 9.157 -2.226 420 HG1 THR 57 HG1 THR 57 -0.817 7.558 -0.171 421 HG21 THR 57 3HG2 THR 57 -1.928 9.587 -0.878 422 HG22 THR 57 1HG2 THR 57 -2.638 8.078 -1.451 423 HG23 THR 57 2HG2 THR 57 -2.342 9.398 -2.582 424 H ARG 58 H ARG 58 0.977 8.062 -4.987 425 HA ARG 58 HA ARG 58 -0.669 9.860 -6.410 426 HB2 ARG 58 2HB ARG 58 1.975 8.557 -6.939 427 HB3 ARG 58 1HB ARG 58 1.192 9.527 -8.173 428 HG2 ARG 58 2HG ARG 58 1.178 11.444 -6.676 429 HG3 ARG 58 1HG ARG 58 1.935 10.468 -5.416 430 HD2 ARG 58 2HD ARG 58 3.388 10.373 -7.936 431 HD3 ARG 58 1HD ARG 58 3.243 12.011 -7.299 432 HE ARG 58 HE ARG 58 4.217 11.108 -5.193 433 HH11 ARG 58 1HH1 ARG 58 4.744 9.391 -8.213 434 HH12 ARG 58 2HH1 ARG 58 6.282 8.746 -7.707 435 HH21 ARG 58 1HH2 ARG 58 6.231 10.269 -4.548 436 HH22 ARG 58 2HH2 ARG 58 7.123 9.243 -5.626 437 H TYR 59 H TYR 59 -0.606 6.462 -6.350 438 HA TYR 59 HA TYR 59 -2.400 6.502 -8.675 439 HB2 TYR 59 2HB TYR 59 -0.105 4.707 -8.113 440 HB3 TYR 59 1HB TYR 59 -1.568 3.956 -8.714 441 HD1 TYR 59 HD2 TYR 59 1.015 6.458 -9.481 442 HD2 TYR 59 HD1 TYR 59 -2.195 4.118 -10.987 443 HE1 TYR 59 HE2 TYR 59 1.672 7.045 -11.778 444 HE2 TYR 59 HE1 TYR 59 -1.551 4.693 -13.287 445 HH TYR 59 HH TYR 59 1.377 5.908 -14.102 446 H LEU 60 H LEU 60 -4.351 6.124 -7.953 447 HA LEU 60 HA LEU 60 -4.948 3.869 -6.256 448 HB2 LEU 60 2HB LEU 60 -5.394 6.704 -5.315 449 HB3 LEU 60 1HB LEU 60 -6.319 5.355 -4.689 450 HG LEU 60 HG LEU 60 -3.317 5.617 -4.475 451 HD11 LEU 60 1HD1 LEU 60 -4.449 7.315 -3.145 452 HD12 LEU 60 2HD1 LEU 60 -3.739 6.079 -2.107 453 HD13 LEU 60 3HD1 LEU 60 -5.476 6.080 -2.418 454 HD21 LEU 60 3HD2 LEU 60 -3.515 3.755 -2.908 455 HD22 LEU 60 1HD2 LEU 60 -4.112 3.305 -4.505 456 HD23 LEU 60 2HD2 LEU 60 -5.251 3.675 -3.210 457 H SER 61 H SER 61 -7.419 3.835 -5.862 458 HA SER 61 HA SER 61 -8.769 4.996 -8.199 459 HB2 SER 61 2HB SER 61 -8.831 2.479 -7.930 460 HB3 SER 61 1HB SER 61 -9.750 2.725 -6.445 461 HG SER 61 HG SER 61 -11.368 3.735 -7.685 462 H LYS 62 H LYS 62 -9.982 6.731 -7.760 463 HA LYS 62 HA LYS 62 -10.991 7.053 -5.012 464 HB2 LYS 62 2HB LYS 62 -9.117 8.629 -6.100 465 HB3 LYS 62 1HB LYS 62 -10.541 9.443 -6.728 466 HG2 LYS 62 2HG LYS 62 -9.995 8.899 -3.818 467 HG3 LYS 62 1HG LYS 62 -9.721 10.430 -4.644 468 HD2 LYS 62 2HD LYS 62 -12.108 10.593 -5.149 469 HD3 LYS 62 1HD LYS 62 -12.385 9.053 -4.333 470 HE2 LYS 62 2HE LYS 62 -11.297 11.558 -3.052 471 HE3 LYS 62 1HE LYS 62 -12.947 10.957 -2.897 472 HZ1 LYS 62 3HZ LYS 62 -11.729 10.294 -0.985 473 HZ2 LYS 62 1HZ LYS 62 -10.464 9.648 -1.914 474 HZ3 LYS 62 2HZ LYS 62 -11.987 8.903 -1.918 475 H LEU 63 H LEU 63 -12.896 5.985 -5.658 476 HA LEU 63 HA LEU 63 -14.711 7.655 -7.251 477 HB2 LEU 63 2HB LEU 63 -13.544 5.654 -8.500 478 HB3 LEU 63 1HB LEU 63 -14.716 4.684 -7.637 479 HG LEU 63 HG LEU 63 -15.399 5.232 -9.954 480 HD11 LEU 63 1HD1 LEU 63 -17.158 6.421 -7.816 481 HD12 LEU 63 2HD1 LEU 63 -17.108 4.727 -8.309 482 HD13 LEU 63 3HD1 LEU 63 -17.676 5.958 -9.438 483 HD21 LEU 63 3HD2 LEU 63 -16.096 7.500 -10.503 484 HD22 LEU 63 1HD2 LEU 63 -14.379 7.440 -10.108 485 HD23 LEU 63 2HD2 LEU 63 -15.534 8.063 -8.930 486 H GLU 64 H GLU 64 -14.322 4.864 -5.098 487 HA GLU 64 HA GLU 64 -15.780 3.622 -3.889 488 HB2 GLU 64 2HB GLU 64 -15.788 5.776 -2.548 489 HB3 GLU 64 1HB GLU 64 -17.284 6.197 -3.373 490 HG2 GLU 64 2HG GLU 64 -18.246 4.038 -2.529 491 HG3 GLU 64 1HG GLU 64 -16.792 3.854 -1.555 492 H HIS 65 H HIS 65 -16.483 2.573 -5.796 493 HA HIS 65 HA HIS 65 -18.898 3.588 -7.063 494 HB2 HIS 65 2HB HIS 65 -18.553 1.683 -8.677 495 HB3 HIS 65 1HB HIS 65 -17.266 2.877 -8.643 496 HD1 HIS 65 HD1 HIS 65 -17.899 -0.717 -8.338 497 HD2 HIS 65 HD2 HIS 65 -14.873 1.938 -7.296 498 HE1 HIS 65 HE1 HIS 65 -15.866 -2.133 -7.938 499 HE2 HIS 65 HE2 HIS 65 -13.997 -0.483 -7.592 500 H HIS 66 H HIS 66 -20.751 2.299 -7.396 501 HA HIS 66 HA HIS 66 -22.522 1.143 -6.627 502 HB2 HIS 66 2HB HIS 66 -20.294 -0.640 -5.886 503 HB3 HIS 66 1HB HIS 66 -21.784 -0.879 -4.981 504 HD1 HIS 66 HD1 HIS 66 -23.532 -2.248 -6.070 505 HD2 HIS 66 HD2 HIS 66 -20.711 -0.871 -8.789 506 HE1 HIS 66 HE1 HIS 66 -24.066 -3.405 -8.236 507 HE2 HIS 66 HE2 HIS 66 -22.194 -2.739 -9.794 508 H HIS 67 H HIS 67 -23.467 2.673 -5.414 509 HA HIS 67 HA HIS 67 -22.774 2.981 -2.618 510 HB2 HIS 67 2HB HIS 67 -23.699 4.848 -4.078 511 HB3 HIS 67 1HB HIS 67 -25.244 4.008 -4.029 512 HD1 HIS 67 HD1 HIS 67 -26.688 4.353 -2.002 513 HD2 HIS 67 HD2 HIS 67 -22.849 5.877 -1.523 514 HE1 HIS 67 HE1 HIS 67 -26.755 5.703 0.121 515 HE2 HIS 67 HE2 HIS 67 -24.491 6.804 0.254 516 H HIS 68 H HIS 68 -25.282 1.509 -4.604 517 HA HIS 68 HA HIS 68 -26.355 0.033 -2.326 518 HB2 HIS 68 2HB HIS 68 -27.121 0.421 -5.172 519 HB3 HIS 68 1HB HIS 68 -27.519 -1.139 -4.467 520 HD1 HIS 68 HD1 HIS 68 -29.303 1.591 -5.278 521 HD2 HIS 68 HD2 HIS 68 -28.670 -0.212 -1.583 522 HE1 HIS 68 HE1 HIS 68 -31.263 2.263 -3.853 523 HE2 HIS 68 HE2 HIS 68 -30.981 0.945 -1.722 524 H HIS 69 H HIS 69 -26.026 -2.155 -1.983 525 HA HIS 69 HA HIS 69 -24.110 -3.447 -3.804 526 HB2 HIS 69 2HB HIS 69 -23.169 -4.701 -1.934 527 HB3 HIS 69 1HB HIS 69 -23.054 -2.978 -1.618 528 HD1 HIS 69 HD1 HIS 69 -25.244 -2.112 -0.013 529 HD2 HIS 69 HD2 HIS 69 -24.005 -6.079 0.202 530 HE1 HIS 69 HE1 HIS 69 -26.133 -2.990 2.167 531 HE2 HIS 69 HE2 HIS 69 -25.559 -5.443 2.163 532 H HIS 70 H HIS 70 -25.952 -4.061 -4.999 533 HA HIS 70 HA HIS 70 -27.635 -5.397 -5.678 534 HB2 HIS 70 2HB HIS 70 -26.753 -7.066 -3.327 535 HB3 HIS 70 1HB HIS 70 -28.128 -7.517 -4.328 536 HD1 HIS 70 HD1 HIS 70 -24.614 -8.061 -4.040 537 HD2 HIS 70 HD2 HIS 70 -27.286 -7.662 -7.202 538 HE1 HIS 70 HE1 HIS 70 -23.456 -9.062 -6.039 539 HE2 HIS 70 HE2 HIS 70 -25.147 -8.930 -7.911
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