NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14563 | 1wyl | 11085 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 12.378 -16.025 0.820 2 HA2 GLY 1 1HA GLY 1 11.888 -18.767 0.334 3 HA3 GLY 1 2HA GLY 1 11.646 -18.423 2.040 4 H SER 2 H SER 2 10.943 -16.396 -0.785 5 HA SER 2 HA SER 2 8.121 -16.378 0.061 6 HB2 SER 2 1HB SER 2 8.025 -14.133 -1.087 7 HB3 SER 2 2HB SER 2 9.053 -14.184 0.347 8 HG SER 2 HG SER 2 9.764 -13.330 -1.970 9 H SER 3 H SER 3 7.245 -17.943 -1.206 10 HA SER 3 HA SER 3 6.779 -17.336 -3.950 11 HB2 SER 3 1HB SER 3 7.903 -19.161 -5.010 12 HB3 SER 3 2HB SER 3 9.101 -18.348 -4.001 13 HG SER 3 HG SER 3 9.232 -20.061 -2.767 14 H GLY 4 H GLY 4 5.153 -18.642 -4.879 15 HA2 GLY 4 1HA GLY 4 4.111 -20.942 -3.535 16 HA3 GLY 4 2HA GLY 4 3.137 -19.513 -3.227 17 H SER 5 H SER 5 1.659 -18.910 -4.697 18 HA SER 5 HA SER 5 1.547 -20.472 -7.183 19 HB2 SER 5 1HB SER 5 -0.867 -19.781 -7.219 20 HB3 SER 5 2HB SER 5 -0.423 -20.762 -5.822 21 HG SER 5 HG SER 5 -0.878 -17.973 -5.940 22 H SER 6 H SER 6 2.174 -17.371 -5.979 23 HA SER 6 HA SER 6 2.132 -15.260 -6.922 24 HB2 SER 6 1HB SER 6 3.528 -16.938 -9.020 25 HB3 SER 6 2HB SER 6 3.619 -15.180 -8.915 26 HG SER 6 HG SER 6 5.180 -15.492 -7.561 27 H GLY 7 H GLY 7 -0.370 -16.163 -7.263 28 HA2 GLY 7 1HA GLY 7 -1.040 -15.111 -9.918 29 HA3 GLY 7 2HA GLY 7 -1.688 -16.679 -9.460 30 H THR 8 H THR 8 -2.485 -16.409 -6.930 31 HA THR 8 HA THR 8 -4.795 -14.710 -7.190 32 HB THR 8 HB THR 8 -5.009 -16.928 -6.167 33 HG1 THR 8 1HG THR 8 -6.603 -15.768 -5.335 34 HG21 THR 8 1HG2 THR 8 -2.683 -16.196 -4.782 35 HG22 THR 8 2HG2 THR 8 -3.608 -17.688 -4.608 36 HG23 THR 8 3HG2 THR 8 -3.950 -16.311 -3.562 37 H GLN 9 H GLN 9 -5.479 -13.427 -5.172 38 HA GLN 9 HA GLN 9 -3.781 -11.250 -4.852 39 HB2 GLN 9 1HB GLN 9 -6.183 -12.233 -3.359 40 HB3 GLN 9 2HB GLN 9 -5.277 -10.862 -2.735 41 HG2 GLN 9 1HG GLN 9 -7.010 -9.940 -4.007 42 HG3 GLN 9 2HG GLN 9 -5.569 -9.805 -5.013 43 HE21 GLN 9 1HE2 GLN 9 -8.501 -11.658 -4.470 44 HE22 GLN 9 2HE2 GLN 9 -8.639 -12.267 -6.081 45 H GLU 10 H GLU 10 -3.756 -14.298 -3.280 46 HA GLU 10 HA GLU 10 -2.663 -13.746 -0.802 47 HB2 GLU 10 1HB GLU 10 -3.302 -15.987 -1.341 48 HB3 GLU 10 2HB GLU 10 -2.168 -16.054 -2.682 49 HG2 GLU 10 1HG GLU 10 -0.984 -17.224 -1.149 50 HG3 GLU 10 2HG GLU 10 -0.419 -15.601 -0.755 51 H GLU 11 H GLU 11 -1.058 -13.959 -3.940 52 HA GLU 11 HA GLU 11 1.592 -13.819 -3.038 53 HB2 GLU 11 1HB GLU 11 1.170 -14.448 -5.305 54 HB3 GLU 11 2HB GLU 11 0.311 -12.949 -5.627 55 HG2 GLU 11 1HG GLU 11 2.396 -12.698 -6.651 56 HG3 GLU 11 2HG GLU 11 2.495 -11.757 -5.163 57 H LEU 12 H LEU 12 -0.746 -11.288 -3.809 58 HA LEU 12 HA LEU 12 1.109 -9.142 -3.426 59 HB2 LEU 12 1HB LEU 12 -0.707 -8.721 -4.871 60 HB3 LEU 12 2HB LEU 12 -1.879 -9.288 -3.684 61 HG LEU 12 HG LEU 12 -1.131 -7.261 -2.284 62 HD11 LEU 12 1HD1 LEU 12 0.859 -6.736 -3.610 63 HD12 LEU 12 2HD1 LEU 12 -0.269 -5.381 -3.559 64 HD13 LEU 12 3HD1 LEU 12 -0.165 -6.387 -5.004 65 HD21 LEU 12 1HD2 LEU 12 -2.473 -5.964 -4.426 66 HD22 LEU 12 2HD2 LEU 12 -3.139 -6.556 -2.904 67 HD23 LEU 12 3HD2 LEU 12 -3.079 -7.617 -4.313 68 H LEU 13 H LEU 13 -1.691 -10.301 -1.544 69 HA LEU 13 HA LEU 13 -1.562 -8.652 0.624 70 HB2 LEU 13 1HB LEU 13 -3.332 -10.145 0.619 71 HB3 LEU 13 2HB LEU 13 -2.286 -11.537 0.338 72 HG LEU 13 HG LEU 13 -1.438 -11.191 2.708 73 HD11 LEU 13 1HD1 LEU 13 -3.972 -9.613 3.045 74 HD12 LEU 13 2HD1 LEU 13 -2.399 -8.849 2.826 75 HD13 LEU 13 3HD1 LEU 13 -2.687 -9.890 4.220 76 HD21 LEU 13 1HD2 LEU 13 -2.745 -13.043 2.605 77 HD22 LEU 13 2HD2 LEU 13 -4.096 -12.187 1.862 78 HD23 LEU 13 3HD2 LEU 13 -3.803 -12.039 3.596 79 H ARG 14 H ARG 14 -0.076 -11.895 0.670 80 HA ARG 14 HA ARG 14 1.404 -11.681 2.947 81 HB2 ARG 14 1HB ARG 14 1.847 -13.148 0.382 82 HB3 ARG 14 2HB ARG 14 3.125 -13.151 1.590 83 HG2 ARG 14 1HG ARG 14 1.434 -13.993 3.239 84 HG3 ARG 14 2HG ARG 14 0.319 -14.188 1.885 85 HD2 ARG 14 1HD ARG 14 1.376 -16.297 2.303 86 HD3 ARG 14 2HD ARG 14 2.005 -15.651 0.789 87 HE ARG 14 HE ARG 14 3.788 -14.805 2.667 88 HH11 ARG 14 2HH1 ARG 14 2.497 -17.901 1.737 89 HH12 ARG 14 1HH1 ARG 14 3.925 -18.776 2.179 90 HH21 ARG 14 2HH2 ARG 14 5.674 -15.945 3.253 91 HH22 ARG 14 1HH2 ARG 14 5.731 -17.662 3.042 92 H TRP 15 H TRP 15 2.472 -10.721 -0.310 93 HA TRP 15 HA TRP 15 5.018 -9.828 0.346 94 HB2 TRP 15 1HB TRP 15 4.316 -10.073 -1.963 95 HB3 TRP 15 2HB TRP 15 3.116 -8.799 -1.768 96 HD1 TRP 15 HD TRP 15 6.973 -9.198 -1.657 97 HE1 TRP 15 1HE TRP 15 8.021 -7.001 -2.495 98 HE3 TRP 15 3HE TRP 15 2.707 -6.453 -2.283 99 HZ2 TRP 15 2HZ TRP 15 7.153 -4.443 -3.312 100 HZ3 TRP 15 3HZ TRP 15 2.902 -4.139 -3.097 101 HH2 TRP 15 HH TRP 15 5.080 -3.157 -3.599 102 H CYS 16 H CYS 16 1.946 -8.055 0.368 103 HA CYS 16 HA CYS 16 3.064 -5.565 1.126 104 HB2 CYS 16 1HB CYS 16 0.254 -6.641 1.426 105 HB3 CYS 16 2HB CYS 16 0.714 -4.970 1.726 106 HG CYS 16 HG CYS 16 0.517 -6.615 -1.241 107 H GLN 17 H GLN 17 1.869 -8.329 2.927 108 HA GLN 17 HA GLN 17 1.655 -7.185 5.461 109 HB2 GLN 17 1HB GLN 17 2.419 -9.991 4.647 110 HB3 GLN 17 2HB GLN 17 2.072 -9.515 6.303 111 HG2 GLN 17 1HG GLN 17 -0.190 -8.913 5.690 112 HG3 GLN 17 2HG GLN 17 0.146 -9.295 4.002 113 HE21 GLN 17 1HE2 GLN 17 -1.838 -10.408 5.847 114 HE22 GLN 17 2HE2 GLN 17 -1.551 -12.111 5.878 115 H GLU 18 H GLU 18 4.439 -8.858 3.997 116 HA GLU 18 HA GLU 18 6.211 -8.546 6.128 117 HB2 GLU 18 1HB GLU 18 6.626 -8.837 3.163 118 HB3 GLU 18 2HB GLU 18 7.988 -8.660 4.261 119 HG2 GLU 18 1HG GLU 18 5.939 -10.750 4.810 120 HG3 GLU 18 2HG GLU 18 7.142 -11.023 3.550 121 H GLN 19 H GLN 19 5.356 -6.354 3.517 122 HA GLN 19 HA GLN 19 7.413 -4.456 4.018 123 HB2 GLN 19 1HB GLN 19 4.748 -4.148 2.627 124 HB3 GLN 19 2HB GLN 19 6.026 -2.939 2.620 125 HG2 GLN 19 1HG GLN 19 5.843 -5.523 1.183 126 HG3 GLN 19 2HG GLN 19 6.447 -3.959 0.637 127 HE21 GLN 19 1HE2 GLN 19 7.427 -6.933 1.002 128 HE22 GLN 19 2HE2 GLN 19 9.054 -6.709 1.537 129 H THR 20 H THR 20 3.900 -4.177 4.586 130 HA THR 20 HA THR 20 4.009 -1.902 6.184 131 HB THR 20 HB THR 20 1.778 -2.495 6.981 132 HG1 THR 20 1HG THR 20 2.109 -4.981 5.633 133 HG21 THR 20 1HG2 THR 20 1.699 -1.541 4.841 134 HG22 THR 20 2HG2 THR 20 0.731 -3.007 4.688 135 HG23 THR 20 3HG2 THR 20 2.385 -2.975 4.079 136 H ALA 21 H ALA 21 4.370 -5.295 7.033 137 HA ALA 21 HA ALA 21 4.060 -5.486 9.673 138 HB1 ALA 21 1HB ALA 21 5.686 -6.796 7.772 139 HB2 ALA 21 2HB ALA 21 6.681 -6.500 9.197 140 HB3 ALA 21 3HB ALA 21 5.163 -7.384 9.350 141 H GLY 22 H GLY 22 7.085 -4.193 8.275 142 HA2 GLY 22 1HA GLY 22 8.433 -3.473 10.525 143 HA3 GLY 22 2HA GLY 22 8.469 -2.518 9.051 144 H TYR 23 H TYR 23 5.988 -1.452 8.906 145 HA TYR 23 HA TYR 23 6.119 0.691 10.715 146 HB2 TYR 23 1HB TYR 23 4.934 0.440 8.375 147 HB3 TYR 23 2HB TYR 23 3.544 -0.004 9.359 148 HD1 TYR 23 2HD TYR 23 3.193 1.682 11.446 149 HD2 TYR 23 1HD TYR 23 5.085 2.652 7.761 150 HE1 TYR 23 2HE TYR 23 2.692 4.061 11.823 151 HE2 TYR 23 1HE TYR 23 4.591 5.034 8.127 152 HH TYR 23 HH TYR 23 2.509 6.104 10.692 153 HA PRO 24 HA PRO 24 4.235 -1.240 14.251 154 HB2 PRO 24 1HB PRO 24 4.195 0.986 15.805 155 HB3 PRO 24 2HB PRO 24 5.662 0.044 15.512 156 HG2 PRO 24 1HG PRO 24 4.746 2.578 14.208 157 HG3 PRO 24 2HG PRO 24 6.367 2.133 14.772 158 HD2 PRO 24 1HD PRO 24 5.643 1.995 12.167 159 HD3 PRO 24 2HD PRO 24 6.813 0.875 12.893 160 H GLY 25 H GLY 25 2.132 -1.675 14.434 161 HA2 GLY 25 1HA GLY 25 -0.080 -1.028 15.055 162 HA3 GLY 25 2HA GLY 25 0.213 0.547 14.334 163 H VAL 26 H VAL 26 1.417 -0.741 11.926 164 HA VAL 26 HA VAL 26 -1.074 -1.115 10.496 165 HB VAL 26 HB VAL 26 1.729 -1.217 9.381 166 HG11 VAL 26 1HG1 VAL 26 0.725 -0.817 7.263 167 HG12 VAL 26 2HG1 VAL 26 -0.166 -2.144 8.012 168 HG13 VAL 26 3HG1 VAL 26 -0.851 -0.518 7.995 169 HG21 VAL 26 1HG2 VAL 26 1.582 0.899 10.405 170 HG22 VAL 26 2HG2 VAL 26 1.209 1.177 8.703 171 HG23 VAL 26 3HG2 VAL 26 -0.093 1.120 9.893 172 H HIS 27 H HIS 27 -1.983 -3.055 10.409 173 HA HIS 27 HA HIS 27 -0.258 -5.394 9.961 174 HB2 HIS 27 1HB HIS 27 -1.186 -5.152 12.357 175 HB3 HIS 27 2HB HIS 27 -2.744 -5.563 11.648 176 HD1 HIS 27 1HD HIS 27 -1.108 -7.328 13.729 177 HD2 HIS 27 2HD HIS 27 -1.330 -7.929 9.625 178 HE1 HIS 27 1HE HIS 27 -0.588 -9.764 13.378 179 HE2 HIS 27 2HE HIS 27 -0.644 -10.084 10.880 180 H VAL 28 H VAL 28 -0.705 -5.657 7.825 181 HA VAL 28 HA VAL 28 -3.386 -5.465 6.793 182 HB VAL 28 HB VAL 28 -0.815 -6.384 5.504 183 HG11 VAL 28 1HG1 VAL 28 -2.150 -6.051 3.367 184 HG12 VAL 28 2HG1 VAL 28 -2.517 -7.496 4.312 185 HG13 VAL 28 3HG1 VAL 28 -3.590 -6.097 4.384 186 HG21 VAL 28 1HG2 VAL 28 -0.921 -4.241 4.338 187 HG22 VAL 28 2HG2 VAL 28 -2.401 -3.833 5.206 188 HG23 VAL 28 3HG2 VAL 28 -0.882 -4.009 6.086 189 H SER 29 H SER 29 -4.770 -7.013 7.422 190 HA SER 29 HA SER 29 -3.880 -9.815 7.277 191 HB2 SER 29 1HB SER 29 -5.623 -10.356 8.867 192 HB3 SER 29 2HB SER 29 -4.676 -9.012 9.507 193 HG SER 29 HG SER 29 -6.507 -7.808 8.219 194 H ASP 30 H ASP 30 -5.990 -7.472 5.946 195 HA ASP 30 HA ASP 30 -6.880 -9.297 3.924 196 HB2 ASP 30 1HB ASP 30 -9.034 -8.069 5.649 197 HB3 ASP 30 2HB ASP 30 -9.233 -9.236 4.345 198 H LEU 31 H LEU 31 -7.317 -8.239 2.068 199 HA LEU 31 HA LEU 31 -6.897 -5.394 2.005 200 HB2 LEU 31 1HB LEU 31 -7.183 -7.571 0.012 201 HB3 LEU 31 2HB LEU 31 -7.555 -5.932 -0.518 202 HG LEU 31 HG LEU 31 -5.252 -5.277 0.289 203 HD11 LEU 31 1HD1 LEU 31 -5.289 -7.868 1.340 204 HD12 LEU 31 2HD1 LEU 31 -3.934 -6.739 1.309 205 HD13 LEU 31 3HD1 LEU 31 -4.136 -7.910 0.006 206 HD21 LEU 31 1HD2 LEU 31 -4.505 -5.548 -1.810 207 HD22 LEU 31 2HD2 LEU 31 -6.112 -6.207 -2.113 208 HD23 LEU 31 3HD2 LEU 31 -4.761 -7.293 -1.787 209 H SER 32 H SER 32 -9.035 -5.558 3.508 210 HA SER 32 HA SER 32 -11.241 -4.744 1.738 211 HB2 SER 32 1HB SER 32 -11.761 -6.950 2.680 212 HB3 SER 32 2HB SER 32 -11.494 -6.326 4.309 213 HG SER 32 HG SER 32 -13.739 -6.320 2.982 214 H SER 33 H SER 33 -10.284 -4.693 5.176 215 HA SER 33 HA SER 33 -11.018 -1.839 5.231 216 HB2 SER 33 1HB SER 33 -11.661 -2.177 7.619 217 HB3 SER 33 2HB SER 33 -12.672 -3.084 6.493 218 HG SER 33 HG SER 33 -11.743 -4.183 8.462 219 H SER 34 H SER 34 -8.692 -4.260 5.916 220 HA SER 34 HA SER 34 -7.153 -3.056 7.905 221 HB2 SER 34 1HB SER 34 -6.958 -5.392 6.657 222 HB3 SER 34 2HB SER 34 -5.772 -4.513 5.692 223 HG SER 34 HG SER 34 -5.690 -5.267 8.370 224 H TRP 35 H TRP 35 -7.503 -2.281 4.551 225 HA TRP 35 HA TRP 35 -5.202 -0.464 4.652 226 HB2 TRP 35 1HB TRP 35 -6.905 -1.336 2.307 227 HB3 TRP 35 2HB TRP 35 -5.510 -0.264 2.208 228 HD1 TRP 35 HD TRP 35 -6.316 -3.918 3.225 229 HE1 TRP 35 1HE TRP 35 -4.248 -5.359 2.705 230 HE3 TRP 35 3HE TRP 35 -3.125 -0.233 1.684 231 HZ2 TRP 35 2HZ TRP 35 -1.613 -4.984 1.767 232 HZ3 TRP 35 3HZ TRP 35 -0.847 -0.858 0.992 233 HH2 TRP 35 HH TRP 35 -0.109 -3.186 1.034 234 H ALA 36 H ALA 36 -8.532 -0.470 5.075 235 HA ALA 36 HA ALA 36 -9.301 1.973 3.914 236 HB1 ALA 36 1HB ALA 36 -11.115 0.720 4.528 237 HB2 ALA 36 2HB ALA 36 -10.398 0.229 6.063 238 HB3 ALA 36 3HB ALA 36 -11.049 1.857 5.874 239 H ASP 37 H ASP 37 -8.018 1.195 7.122 240 HA ASP 37 HA ASP 37 -8.317 3.505 8.502 241 HB2 ASP 37 1HB ASP 37 -5.749 1.909 8.357 242 HB3 ASP 37 2HB ASP 37 -6.212 3.007 9.655 243 H GLY 38 H GLY 38 -5.534 2.874 6.352 244 HA2 GLY 38 1HA GLY 38 -5.176 4.794 4.722 245 HA3 GLY 38 2HA GLY 38 -5.157 5.795 6.166 246 H LEU 39 H LEU 39 -3.661 4.218 7.880 247 HA LEU 39 HA LEU 39 -1.059 4.925 7.254 248 HB2 LEU 39 1HB LEU 39 -2.316 3.067 9.193 249 HB3 LEU 39 2HB LEU 39 -0.581 2.908 8.930 250 HG LEU 39 HG LEU 39 -1.927 5.476 9.759 251 HD11 LEU 39 1HD1 LEU 39 -0.611 4.784 11.948 252 HD12 LEU 39 2HD1 LEU 39 -0.941 3.163 11.337 253 HD13 LEU 39 3HD1 LEU 39 -2.274 4.271 11.660 254 HD21 LEU 39 1HD2 LEU 39 0.924 4.918 10.287 255 HD22 LEU 39 2HD2 LEU 39 0.126 6.419 9.820 256 HD23 LEU 39 3HD2 LEU 39 0.479 5.192 8.603 257 H ALA 40 H ALA 40 -2.632 1.759 6.880 258 HA ALA 40 HA ALA 40 -0.720 0.087 6.093 259 HB1 ALA 40 1HB ALA 40 -2.408 -0.549 4.144 260 HB2 ALA 40 2HB ALA 40 -2.762 -0.879 5.840 261 HB3 ALA 40 3HB ALA 40 -3.460 0.536 5.053 262 H LEU 41 H LEU 41 -2.314 2.061 3.585 263 HA LEU 41 HA LEU 41 -0.496 1.621 1.561 264 HB2 LEU 41 1HB LEU 41 -2.439 3.771 2.186 265 HB3 LEU 41 2HB LEU 41 -1.244 4.101 0.934 266 HG LEU 41 HG LEU 41 -3.006 1.668 0.845 267 HD11 LEU 41 1HD1 LEU 41 -4.641 3.300 0.854 268 HD12 LEU 41 2HD1 LEU 41 -4.288 3.132 -0.865 269 HD13 LEU 41 3HD1 LEU 41 -3.614 4.484 0.046 270 HD21 LEU 41 1HD2 LEU 41 -2.504 1.784 -1.544 271 HD22 LEU 41 2HD2 LEU 41 -1.030 1.664 -0.583 272 HD23 LEU 41 3HD2 LEU 41 -1.513 3.216 -1.270 273 H CYS 42 H CYS 42 -0.382 4.012 4.148 274 HA CYS 42 HA CYS 42 1.791 5.516 3.205 275 HB2 CYS 42 1HB CYS 42 1.136 4.993 6.108 276 HB3 CYS 42 2HB CYS 42 1.970 6.390 5.435 277 HG CYS 42 HG CYS 42 -1.261 5.708 4.585 278 H ALA 43 H ALA 43 1.686 2.712 5.383 279 HA ALA 43 HA ALA 43 4.458 2.579 5.867 280 HB1 ALA 43 1HB ALA 43 3.843 0.083 6.334 281 HB2 ALA 43 2HB ALA 43 3.235 1.361 7.388 282 HB3 ALA 43 3HB ALA 43 2.187 0.664 6.152 283 H LEU 44 H LEU 44 2.412 0.806 3.553 284 HA LEU 44 HA LEU 44 4.337 -0.790 2.385 285 HB2 LEU 44 1HB LEU 44 2.118 -1.191 1.775 286 HB3 LEU 44 2HB LEU 44 1.849 0.487 1.310 287 HG LEU 44 HG LEU 44 3.530 -0.001 -0.587 288 HD11 LEU 44 1HD1 LEU 44 2.600 -2.813 -0.376 289 HD12 LEU 44 2HD1 LEU 44 3.972 -2.313 0.612 290 HD13 LEU 44 3HD1 LEU 44 4.043 -2.150 -1.142 291 HD21 LEU 44 1HD2 LEU 44 1.038 -1.552 -1.002 292 HD22 LEU 44 2HD2 LEU 44 1.764 -0.283 -1.990 293 HD23 LEU 44 3HD2 LEU 44 0.875 0.139 -0.526 294 H VAL 45 H VAL 45 3.503 2.566 1.644 295 HA VAL 45 HA VAL 45 5.302 2.797 -0.557 296 HB VAL 45 HB VAL 45 4.030 4.946 1.142 297 HG11 VAL 45 1HG1 VAL 45 6.182 5.273 -0.497 298 HG12 VAL 45 2HG1 VAL 45 4.840 5.595 -1.596 299 HG13 VAL 45 3HG1 VAL 45 5.007 6.530 -0.110 300 HG21 VAL 45 1HG2 VAL 45 2.159 4.545 0.019 301 HG22 VAL 45 2HG2 VAL 45 3.003 4.805 -1.508 302 HG23 VAL 45 3HG2 VAL 45 2.943 3.192 -0.798 303 H TYR 46 H TYR 46 5.410 4.238 2.708 304 HA TYR 46 HA TYR 46 7.922 5.328 2.632 305 HB2 TYR 46 1HB TYR 46 6.308 4.133 4.858 306 HB3 TYR 46 2HB TYR 46 7.948 4.692 5.171 307 HD1 TYR 46 1HD TYR 46 8.374 7.138 4.008 308 HD2 TYR 46 2HD TYR 46 4.654 5.628 5.416 309 HE1 TYR 46 1HE TYR 46 7.546 9.439 4.268 310 HE2 TYR 46 2HE TYR 46 3.814 7.924 5.679 311 HH TYR 46 HH TYR 46 4.537 10.138 5.864 312 H ARG 47 H ARG 47 7.072 1.997 3.527 313 HA ARG 47 HA ARG 47 9.683 1.133 4.107 314 HB2 ARG 47 1HB ARG 47 7.105 -0.215 3.444 315 HB3 ARG 47 2HB ARG 47 8.580 -1.170 3.388 316 HG2 ARG 47 1HG ARG 47 7.957 0.487 5.795 317 HG3 ARG 47 2HG ARG 47 7.191 -1.086 5.568 318 HD2 ARG 47 1HD ARG 47 9.037 -1.744 6.728 319 HD3 ARG 47 2HD ARG 47 9.689 -1.821 5.091 320 HE ARG 47 HE ARG 47 10.053 0.711 6.438 321 HH11 ARG 47 2HH1 ARG 47 11.384 -2.429 5.736 322 HH12 ARG 47 1HH1 ARG 47 13.020 -1.947 6.038 323 HH21 ARG 47 2HH2 ARG 47 12.203 1.357 6.838 324 HH22 ARG 47 1HH2 ARG 47 13.486 0.206 6.666 325 H LEU 48 H LEU 48 7.740 0.436 1.192 326 HA LEU 48 HA LEU 48 9.435 -0.839 -0.413 327 HB2 LEU 48 1HB LEU 48 7.535 1.382 -0.981 328 HB3 LEU 48 2HB LEU 48 8.577 0.806 -2.282 329 HG LEU 48 HG LEU 48 6.699 -0.964 -0.722 330 HD11 LEU 48 1HD1 LEU 48 6.257 0.105 -3.496 331 HD12 LEU 48 2HD1 LEU 48 5.585 0.873 -2.058 332 HD13 LEU 48 3HD1 LEU 48 5.128 -0.780 -2.469 333 HD21 LEU 48 1HD2 LEU 48 8.846 -1.701 -2.170 334 HD22 LEU 48 2HD2 LEU 48 7.623 -1.641 -3.439 335 HD23 LEU 48 3HD2 LEU 48 7.381 -2.672 -2.029 336 H GLN 49 H GLN 49 9.660 2.603 0.338 337 HA GLN 49 HA GLN 49 12.401 2.574 -0.722 338 HB2 GLN 49 1HB GLN 49 10.173 4.425 -1.390 339 HB3 GLN 49 2HB GLN 49 11.775 5.126 -1.209 340 HG2 GLN 49 1HG GLN 49 12.648 3.645 -2.913 341 HG3 GLN 49 2HG GLN 49 11.078 2.858 -3.061 342 HE21 GLN 49 1HE2 GLN 49 12.223 6.220 -2.957 343 HE22 GLN 49 2HE2 GLN 49 11.389 6.725 -4.383 344 HA PRO 50 HA PRO 50 12.695 3.958 3.594 345 HB2 PRO 50 1HB PRO 50 15.291 3.212 3.870 346 HB3 PRO 50 2HB PRO 50 13.943 2.080 4.035 347 HG2 PRO 50 1HG PRO 50 15.737 2.561 1.687 348 HG3 PRO 50 2HG PRO 50 15.157 1.024 2.355 349 HD2 PRO 50 1HD PRO 50 14.052 2.171 0.164 350 HD3 PRO 50 2HD PRO 50 13.108 1.201 1.314 351 H GLY 51 H GLY 51 14.049 5.013 0.699 352 HA2 GLY 51 1HA GLY 51 15.883 6.937 1.850 353 HA3 GLY 51 2HA GLY 51 15.485 6.760 0.147 354 H LEU 52 H LEU 52 12.586 6.894 0.694 355 HA LEU 52 HA LEU 52 12.266 9.692 0.403 356 HB2 LEU 52 1HB LEU 52 10.472 7.338 0.582 357 HB3 LEU 52 2HB LEU 52 9.765 8.919 0.904 358 HG LEU 52 HG LEU 52 11.351 8.571 -1.591 359 HD11 LEU 52 1HD1 LEU 52 8.602 7.984 -2.103 360 HD12 LEU 52 2HD1 LEU 52 9.244 6.820 -0.946 361 HD13 LEU 52 3HD1 LEU 52 10.037 7.041 -2.506 362 HD21 LEU 52 1HD2 LEU 52 10.590 10.687 -1.626 363 HD22 LEU 52 2HD2 LEU 52 9.284 10.350 -0.491 364 HD23 LEU 52 3HD2 LEU 52 9.098 9.940 -2.196 365 H LEU 53 H LEU 53 11.081 11.142 1.768 366 HA LEU 53 HA LEU 53 11.946 11.388 4.335 367 HB2 LEU 53 1HB LEU 53 10.163 12.944 4.719 368 HB3 LEU 53 2HB LEU 53 10.732 13.117 3.060 369 HG LEU 53 HG LEU 53 8.451 13.275 2.799 370 HD11 LEU 53 1HD1 LEU 53 9.018 10.324 2.574 371 HD12 LEU 53 2HD1 LEU 53 9.290 11.542 1.329 372 HD13 LEU 53 3HD1 LEU 53 7.648 11.162 1.846 373 HD21 LEU 53 1HD2 LEU 53 7.372 12.941 4.752 374 HD22 LEU 53 2HD2 LEU 53 8.371 11.557 5.195 375 HD23 LEU 53 3HD2 LEU 53 7.042 11.357 4.052 376 H GLU 54 H GLU 54 10.577 11.338 6.376 377 HA GLU 54 HA GLU 54 9.237 8.723 6.528 378 HB2 GLU 54 1HB GLU 54 10.726 10.331 8.601 379 HB3 GLU 54 2HB GLU 54 9.741 8.933 9.006 380 HG2 GLU 54 1HG GLU 54 11.184 7.450 8.003 381 HG3 GLU 54 2HG GLU 54 11.874 8.676 6.942 382 HA PRO 55 HA PRO 55 5.398 10.545 7.619 383 HB2 PRO 55 1HB PRO 55 4.417 8.718 9.371 384 HB3 PRO 55 2HB PRO 55 4.527 8.419 7.633 385 HG2 PRO 55 1HG PRO 55 6.364 7.539 9.826 386 HG3 PRO 55 2HG PRO 55 5.764 6.620 8.433 387 HD2 PRO 55 1HD PRO 55 8.236 7.722 8.495 388 HD3 PRO 55 2HD PRO 55 7.304 7.553 6.994 389 H SER 56 H SER 56 6.521 12.345 8.729 390 HA SER 56 HA SER 56 6.909 12.191 11.571 391 HB2 SER 56 1HB SER 56 8.211 13.690 9.990 392 HB3 SER 56 2HB SER 56 6.769 14.702 9.895 393 HG SER 56 HG SER 56 7.354 15.554 11.711 394 H GLU 57 H GLU 57 4.427 13.411 9.401 395 HA GLU 57 HA GLU 57 2.843 14.342 11.680 396 HB2 GLU 57 1HB GLU 57 2.251 14.627 8.731 397 HB3 GLU 57 2HB GLU 57 1.421 15.436 10.053 398 HG2 GLU 57 1HG GLU 57 3.402 16.701 10.582 399 HG3 GLU 57 2HG GLU 57 4.323 15.826 9.361 400 H LEU 58 H LEU 58 2.610 12.174 8.881 401 HA LEU 58 HA LEU 58 0.092 11.199 9.070 402 HB2 LEU 58 1HB LEU 58 2.690 9.878 8.428 403 HB3 LEU 58 2HB LEU 58 1.225 8.904 8.519 404 HG LEU 58 HG LEU 58 0.231 10.463 6.793 405 HD11 LEU 58 1HD1 LEU 58 2.988 11.545 6.982 406 HD12 LEU 58 2HD1 LEU 58 1.463 12.373 6.675 407 HD13 LEU 58 3HD1 LEU 58 2.241 11.455 5.386 408 HD21 LEU 58 1HD2 LEU 58 0.748 8.865 5.339 409 HD22 LEU 58 2HD2 LEU 58 1.862 8.216 6.544 410 HD23 LEU 58 3HD2 LEU 58 2.445 9.346 5.320 411 H GLN 59 H GLN 59 2.640 10.763 11.368 412 HA GLN 59 HA GLN 59 1.906 8.480 12.719 413 HB2 GLN 59 1HB GLN 59 3.183 11.045 13.559 414 HB3 GLN 59 2HB GLN 59 2.700 9.899 14.803 415 HG2 GLN 59 1HG GLN 59 4.037 8.163 13.591 416 HG3 GLN 59 2HG GLN 59 4.647 9.456 12.558 417 HE21 GLN 59 1HE2 GLN 59 6.590 8.274 13.684 418 HE22 GLN 59 2HE2 GLN 59 7.198 9.086 15.081 419 H GLY 60 H GLY 60 0.668 11.779 13.231 420 HA2 GLY 60 1HA GLY 60 -1.624 10.568 14.652 421 HA3 GLY 60 2HA GLY 60 -0.914 12.105 15.127 422 H LEU 61 H LEU 61 -1.888 10.753 11.978 423 HA LEU 61 HA LEU 61 -3.426 13.216 11.516 424 HB2 LEU 61 1HB LEU 61 -1.866 11.404 9.762 425 HB3 LEU 61 2HB LEU 61 -3.301 12.161 9.074 426 HG LEU 61 HG LEU 61 -0.970 13.643 10.290 427 HD11 LEU 61 1HD1 LEU 61 0.025 13.082 8.359 428 HD12 LEU 61 2HD1 LEU 61 -1.028 14.313 7.664 429 HD13 LEU 61 3HD1 LEU 61 -1.491 12.614 7.592 430 HD21 LEU 61 1HD2 LEU 61 -2.189 15.496 10.158 431 HD22 LEU 61 2HD2 LEU 61 -3.596 14.467 9.889 432 HD23 LEU 61 3HD2 LEU 61 -2.703 15.118 8.514 433 H GLY 62 H GLY 62 -5.323 12.863 9.953 434 HA2 GLY 62 1HA GLY 62 -7.098 10.976 11.186 435 HA3 GLY 62 2HA GLY 62 -7.489 12.067 9.865 436 H ALA 63 H ALA 63 -8.131 9.209 10.275 437 HA ALA 63 HA ALA 63 -6.783 7.332 8.928 438 HB1 ALA 63 1HB ALA 63 -8.724 6.191 8.767 439 HB2 ALA 63 2HB ALA 63 -9.330 7.512 9.766 440 HB3 ALA 63 3HB ALA 63 -9.581 7.540 8.019 441 H LEU 64 H LEU 64 -8.501 10.021 7.419 442 HA LEU 64 HA LEU 64 -7.886 9.124 4.746 443 HB2 LEU 64 1HB LEU 64 -9.878 10.605 5.683 444 HB3 LEU 64 2HB LEU 64 -8.757 11.911 5.302 445 HG LEU 64 HG LEU 64 -8.728 11.260 2.975 446 HD11 LEU 64 1HD1 LEU 64 -9.889 8.813 4.032 447 HD12 LEU 64 2HD1 LEU 64 -9.023 9.098 2.523 448 HD13 LEU 64 3HD1 LEU 64 -10.751 9.432 2.624 449 HD21 LEU 64 1HD2 LEU 64 -10.704 12.232 2.457 450 HD22 LEU 64 2HD2 LEU 64 -10.748 12.521 4.197 451 HD23 LEU 64 3HD2 LEU 64 -11.633 11.159 3.506 452 H GLU 65 H GLU 65 -6.912 11.876 6.788 453 HA GLU 65 HA GLU 65 -5.211 13.255 5.242 454 HB2 GLU 65 1HB GLU 65 -5.078 12.473 8.113 455 HB3 GLU 65 2HB GLU 65 -3.666 13.249 7.409 456 HG2 GLU 65 1HG GLU 65 -6.451 14.387 7.357 457 HG3 GLU 65 2HG GLU 65 -5.204 14.821 8.525 458 H ALA 66 H ALA 66 -4.432 10.163 6.790 459 HA ALA 66 HA ALA 66 -1.757 10.004 5.942 460 HB1 ALA 66 1HB ALA 66 -3.214 8.546 7.619 461 HB2 ALA 66 2HB ALA 66 -3.315 7.496 6.205 462 HB3 ALA 66 3HB ALA 66 -1.740 7.931 6.872 463 H THR 67 H THR 67 -4.420 7.998 4.685 464 HA THR 67 HA THR 67 -3.352 6.925 2.487 465 HB THR 67 HB THR 67 -6.061 8.267 2.426 466 HG1 THR 67 1HG THR 67 -5.938 6.900 4.217 467 HG21 THR 67 1HG2 THR 67 -6.645 6.603 0.785 468 HG22 THR 67 2HG2 THR 67 -5.075 5.820 0.960 469 HG23 THR 67 3HG2 THR 67 -5.184 7.430 0.249 470 H ALA 68 H ALA 68 -4.430 10.285 2.720 471 HA ALA 68 HA ALA 68 -4.215 11.117 0.113 472 HB1 ALA 68 1HB ALA 68 -4.290 12.361 2.678 473 HB2 ALA 68 2HB ALA 68 -3.082 13.174 1.682 474 HB3 ALA 68 3HB ALA 68 -4.743 13.027 1.109 475 H TRP 69 H TRP 69 -1.589 11.242 2.528 476 HA TRP 69 HA TRP 69 0.433 12.090 0.823 477 HB2 TRP 69 1HB TRP 69 0.746 12.076 3.222 478 HB3 TRP 69 2HB TRP 69 0.596 10.322 3.271 479 HD1 TRP 69 HD TRP 69 3.052 13.086 2.260 480 HE1 TRP 69 1HE TRP 69 5.403 12.057 2.055 481 HE3 TRP 69 3HE TRP 69 1.830 8.154 2.824 482 HZ2 TRP 69 2HZ TRP 69 6.582 9.494 2.122 483 HZ3 TRP 69 3HZ TRP 69 3.629 6.477 2.740 484 HH2 TRP 69 HH TRP 69 5.955 7.135 2.396 485 H ALA 70 H ALA 70 -0.165 8.734 1.888 486 HA ALA 70 HA ALA 70 1.637 7.337 0.465 487 HB1 ALA 70 1HB ALA 70 -1.182 6.364 0.339 488 HB2 ALA 70 2HB ALA 70 0.301 5.476 0.689 489 HB3 ALA 70 3HB ALA 70 -0.393 6.547 1.905 490 H LEU 71 H LEU 71 -1.576 8.135 -0.877 491 HA LEU 71 HA LEU 71 -1.126 7.253 -3.464 492 HB2 LEU 71 1HB LEU 71 -2.889 9.396 -2.334 493 HB3 LEU 71 2HB LEU 71 -2.843 9.077 -4.066 494 HG LEU 71 HG LEU 71 -3.447 6.883 -2.115 495 HD11 LEU 71 1HD1 LEU 71 -4.949 9.135 -2.122 496 HD12 LEU 71 2HD1 LEU 71 -5.571 7.522 -1.779 497 HD13 LEU 71 3HD1 LEU 71 -5.733 8.203 -3.397 498 HD21 LEU 71 1HD2 LEU 71 -4.753 7.051 -4.739 499 HD22 LEU 71 2HD2 LEU 71 -3.997 5.678 -3.930 500 HD23 LEU 71 3HD2 LEU 71 -3.000 6.853 -4.789 501 H LYS 72 H LYS 72 -0.104 10.196 -1.903 502 HA LYS 72 HA LYS 72 0.607 11.586 -4.297 503 HB2 LYS 72 1HB LYS 72 0.125 12.561 -1.958 504 HB3 LYS 72 2HB LYS 72 1.788 12.126 -1.583 505 HG2 LYS 72 1HG LYS 72 2.490 13.496 -3.563 506 HG3 LYS 72 2HG LYS 72 0.821 14.063 -3.670 507 HD2 LYS 72 1HD LYS 72 1.029 14.820 -1.285 508 HD3 LYS 72 2HD LYS 72 2.752 14.445 -1.386 509 HE2 LYS 72 1HE LYS 72 1.374 16.293 -3.318 510 HE3 LYS 72 2HE LYS 72 2.080 16.858 -1.804 511 HZ1 LYS 72 1HZ LYS 72 3.365 16.275 -4.255 512 HZ2 LYS 72 2HZ LYS 72 4.010 15.305 -3.029 513 HZ3 LYS 72 3HZ LYS 72 4.006 16.987 -2.861 514 H VAL 73 H VAL 73 2.757 10.496 -1.672 515 HA VAL 73 HA VAL 73 5.126 10.594 -3.084 516 HB VAL 73 HB VAL 73 4.309 8.787 -0.815 517 HG11 VAL 73 1HG1 VAL 73 6.948 8.703 -0.615 518 HG12 VAL 73 2HG1 VAL 73 6.051 7.528 -1.580 519 HG13 VAL 73 3HG1 VAL 73 6.840 8.896 -2.365 520 HG21 VAL 73 1HG2 VAL 73 4.398 10.918 0.046 521 HG22 VAL 73 2HG2 VAL 73 6.058 10.381 0.300 522 HG23 VAL 73 3HG2 VAL 73 5.671 11.430 -1.064 523 H ALA 74 H ALA 74 2.577 8.279 -3.296 524 HA ALA 74 HA ALA 74 4.171 6.225 -4.545 525 HB1 ALA 74 1HB ALA 74 1.898 5.196 -4.991 526 HB2 ALA 74 2HB ALA 74 2.335 5.433 -3.298 527 HB3 ALA 74 3HB ALA 74 1.218 6.548 -4.085 528 H GLU 75 H GLU 75 2.036 8.821 -5.569 529 HA GLU 75 HA GLU 75 2.098 7.991 -8.341 530 HB2 GLU 75 1HB GLU 75 0.082 9.042 -7.411 531 HB3 GLU 75 2HB GLU 75 0.999 10.503 -7.065 532 HG2 GLU 75 1HG GLU 75 0.904 9.470 -9.856 533 HG3 GLU 75 2HG GLU 75 -0.484 10.336 -9.201 534 H ASN 76 H ASN 76 4.026 9.855 -6.258 535 HA ASN 76 HA ASN 76 5.188 11.420 -8.438 536 HB2 ASN 76 1HB ASN 76 5.506 11.518 -5.440 537 HB3 ASN 76 2HB ASN 76 6.549 12.430 -6.526 538 HD21 ASN 76 1HD2 ASN 76 4.553 13.267 -4.499 539 HD22 ASN 76 2HD2 ASN 76 3.479 14.330 -5.337 540 H GLU 77 H GLU 77 6.486 9.534 -5.698 541 HA GLU 77 HA GLU 77 8.984 9.100 -7.015 542 HB2 GLU 77 1HB GLU 77 7.748 8.284 -4.437 543 HB3 GLU 77 2HB GLU 77 9.082 7.308 -5.035 544 HG2 GLU 77 1HG GLU 77 9.081 10.205 -4.272 545 HG3 GLU 77 2HG GLU 77 10.061 8.891 -3.623 546 H LEU 78 H LEU 78 6.722 6.647 -5.768 547 HA LEU 78 HA LEU 78 7.680 4.549 -7.328 548 HB2 LEU 78 1HB LEU 78 4.821 4.809 -6.439 549 HB3 LEU 78 2HB LEU 78 5.758 3.335 -6.676 550 HG LEU 78 HG LEU 78 6.076 5.345 -4.449 551 HD11 LEU 78 1HD1 LEU 78 5.573 2.501 -3.902 552 HD12 LEU 78 2HD1 LEU 78 4.238 3.374 -4.653 553 HD13 LEU 78 3HD1 LEU 78 4.917 3.945 -3.128 554 HD21 LEU 78 1HD2 LEU 78 8.251 4.489 -5.135 555 HD22 LEU 78 2HD2 LEU 78 7.649 2.834 -5.022 556 HD23 LEU 78 3HD2 LEU 78 7.782 3.827 -3.570 557 H GLY 79 H GLY 79 5.275 7.005 -8.038 558 HA2 GLY 79 1HA GLY 79 4.550 7.714 -10.128 559 HA3 GLY 79 2HA GLY 79 5.468 6.403 -10.857 560 H ILE 80 H ILE 80 3.496 5.322 -8.342 561 HA ILE 80 HA ILE 80 1.804 3.897 -10.178 562 HB ILE 80 HB ILE 80 1.627 4.025 -7.167 563 HG12 ILE 80 1HG1 ILE 80 3.836 3.230 -8.053 564 HG13 ILE 80 2HG1 ILE 80 2.963 2.025 -7.113 565 HG21 ILE 80 1HG2 ILE 80 0.631 1.648 -7.725 566 HG22 ILE 80 2HG2 ILE 80 -0.374 3.095 -7.756 567 HG23 ILE 80 3HG2 ILE 80 0.252 2.425 -9.261 568 HD11 ILE 80 1HD1 ILE 80 3.902 1.902 -9.818 569 HD12 ILE 80 2HD1 ILE 80 3.241 0.624 -8.798 570 HD13 ILE 80 3HD1 ILE 80 2.160 1.634 -9.757 571 H THR 81 H THR 81 0.608 5.509 -11.230 572 HA THR 81 HA THR 81 -0.752 7.642 -10.257 573 HB THR 81 HB THR 81 -1.794 5.676 -12.304 574 HG1 THR 81 1HG THR 81 0.113 7.669 -12.332 575 HG21 THR 81 1HG2 THR 81 -3.373 7.463 -11.164 576 HG22 THR 81 2HG2 THR 81 -3.438 7.160 -12.900 577 HG23 THR 81 3HG2 THR 81 -2.554 8.555 -12.280 578 HA PRO 82 HA PRO 82 -3.648 6.115 -7.296 579 HB2 PRO 82 1HB PRO 82 -5.257 8.299 -7.178 580 HB3 PRO 82 2HB PRO 82 -3.652 8.247 -6.438 581 HG2 PRO 82 1HG PRO 82 -4.495 9.437 -9.053 582 HG3 PRO 82 2HG PRO 82 -3.400 10.097 -7.825 583 HD2 PRO 82 1HD PRO 82 -2.504 8.896 -10.080 584 HD3 PRO 82 2HD PRO 82 -1.622 8.819 -8.542 585 H VAL 83 H VAL 83 -4.630 4.453 -8.512 586 HA VAL 83 HA VAL 83 -6.600 4.962 -10.506 587 HB VAL 83 HB VAL 83 -5.193 2.813 -10.108 588 HG11 VAL 83 1HG1 VAL 83 -5.816 1.325 -8.538 589 HG12 VAL 83 2HG1 VAL 83 -6.520 2.738 -7.750 590 HG13 VAL 83 3HG1 VAL 83 -7.532 1.679 -8.733 591 HG21 VAL 83 1HG2 VAL 83 -7.829 1.813 -10.714 592 HG22 VAL 83 2HG2 VAL 83 -7.550 3.369 -11.495 593 HG23 VAL 83 3HG2 VAL 83 -6.438 2.030 -11.778 594 H VAL 84 H VAL 84 -6.653 4.677 -7.051 595 HA VAL 84 HA VAL 84 -9.595 4.872 -7.100 596 HB VAL 84 HB VAL 84 -7.822 3.568 -5.034 597 HG11 VAL 84 1HG1 VAL 84 -9.664 4.933 -4.033 598 HG12 VAL 84 2HG1 VAL 84 -10.813 3.910 -4.897 599 HG13 VAL 84 3HG1 VAL 84 -9.751 3.209 -3.674 600 HG21 VAL 84 1HG2 VAL 84 -9.505 1.666 -5.574 601 HG22 VAL 84 2HG2 VAL 84 -9.799 2.582 -7.051 602 HG23 VAL 84 3HG2 VAL 84 -8.179 1.989 -6.690 603 H SER 85 H SER 85 -10.578 6.369 -5.762 604 HA SER 85 HA SER 85 -8.996 8.660 -5.088 605 HB2 SER 85 1HB SER 85 -11.105 9.690 -4.444 606 HB3 SER 85 2HB SER 85 -11.315 8.831 -5.971 607 HG SER 85 HG SER 85 -11.933 7.035 -4.311 608 H ALA 86 H ALA 86 -8.006 9.063 -3.232 609 HA ALA 86 HA ALA 86 -7.547 7.464 -1.155 610 HB1 ALA 86 1HB ALA 86 -7.205 10.177 -1.614 611 HB2 ALA 86 2HB ALA 86 -8.079 10.099 -0.084 612 HB3 ALA 86 3HB ALA 86 -6.548 9.244 -0.270 613 H GLN 87 H GLN 87 -10.513 9.293 -1.614 614 HA GLN 87 HA GLN 87 -11.621 8.769 0.945 615 HB2 GLN 87 1HB GLN 87 -12.315 10.551 -0.778 616 HB3 GLN 87 2HB GLN 87 -13.241 9.265 -1.541 617 HG2 GLN 87 1HG GLN 87 -13.589 9.833 1.368 618 HG3 GLN 87 2HG GLN 87 -14.381 10.848 0.164 619 HE21 GLN 87 1HE2 GLN 87 -16.196 9.849 1.533 620 HE22 GLN 87 2HE2 GLN 87 -16.904 8.410 0.893 621 H ALA 88 H ALA 88 -12.141 7.269 -2.240 622 HA ALA 88 HA ALA 88 -14.014 5.360 -1.503 623 HB1 ALA 88 1HB ALA 88 -11.843 5.135 -3.583 624 HB2 ALA 88 2HB ALA 88 -13.259 4.089 -3.467 625 HB3 ALA 88 3HB ALA 88 -13.456 5.805 -3.821 626 H VAL 89 H VAL 89 -10.476 5.192 -1.380 627 HA VAL 89 HA VAL 89 -10.234 2.512 -0.613 628 HB VAL 89 HB VAL 89 -8.437 4.844 0.065 629 HG11 VAL 89 1HG1 VAL 89 -6.878 2.580 -0.019 630 HG12 VAL 89 2HG1 VAL 89 -7.428 3.402 1.442 631 HG13 VAL 89 3HG1 VAL 89 -8.336 2.029 0.807 632 HG21 VAL 89 1HG2 VAL 89 -8.323 2.810 -2.161 633 HG22 VAL 89 2HG2 VAL 89 -8.702 4.525 -2.328 634 HG23 VAL 89 3HG2 VAL 89 -7.087 4.024 -1.824 635 H VAL 90 H VAL 90 -10.041 5.398 1.481 636 HA VAL 90 HA VAL 90 -10.150 3.930 3.897 637 HB VAL 90 HB VAL 90 -10.805 6.838 3.398 638 HG11 VAL 90 1HG1 VAL 90 -11.106 7.150 5.600 639 HG12 VAL 90 2HG1 VAL 90 -11.439 5.417 5.631 640 HG13 VAL 90 3HG1 VAL 90 -9.829 6.015 6.037 641 HG21 VAL 90 1HG2 VAL 90 -8.257 5.657 4.483 642 HG22 VAL 90 2HG2 VAL 90 -8.496 6.042 2.778 643 HG23 VAL 90 3HG2 VAL 90 -8.556 7.323 3.987 644 H ALA 91 H ALA 91 -12.611 6.083 2.462 645 HA ALA 91 HA ALA 91 -14.719 5.669 4.100 646 HB1 ALA 91 1HB ALA 91 -16.125 6.369 2.392 647 HB2 ALA 91 2HB ALA 91 -14.558 7.014 1.900 648 HB3 ALA 91 3HB ALA 91 -15.185 5.548 1.146 649 H GLY 92 H GLY 92 -13.700 3.485 1.492 650 HA2 GLY 92 1HA GLY 92 -13.907 1.154 1.491 651 HA3 GLY 92 2HA GLY 92 -14.968 1.270 2.887 652 H SER 93 H SER 93 -15.101 2.665 -0.390 653 HA SER 93 HA SER 93 -17.840 1.610 -0.610 654 HB2 SER 93 1HB SER 93 -17.695 4.053 -0.741 655 HB3 SER 93 2HB SER 93 -16.542 3.925 -2.068 656 HG SER 93 HG SER 93 -18.390 2.600 -3.039 657 H ASP 94 H ASP 94 -14.783 1.986 -2.338 658 HA ASP 94 HA ASP 94 -15.710 -0.028 -4.281 659 HB2 ASP 94 1HB ASP 94 -13.554 2.056 -4.679 660 HB3 ASP 94 2HB ASP 94 -14.150 0.922 -5.887 661 HA PRO 95 HA PRO 95 -12.471 -2.168 -1.851 662 HB2 PRO 95 1HB PRO 95 -13.571 -4.630 -2.169 663 HB3 PRO 95 2HB PRO 95 -14.089 -3.502 -0.911 664 HG2 PRO 95 1HG PRO 95 -15.340 -4.081 -3.568 665 HG3 PRO 95 2HG PRO 95 -16.118 -3.867 -1.989 666 HD2 PRO 95 1HD PRO 95 -16.037 -1.903 -3.852 667 HD3 PRO 95 2HD PRO 95 -16.013 -1.567 -2.108 668 H LEU 96 H LEU 96 -13.721 -2.551 -5.065 669 HA LEU 96 HA LEU 96 -11.785 -4.474 -5.935 670 HB2 LEU 96 1HB LEU 96 -13.679 -2.658 -7.406 671 HB3 LEU 96 2HB LEU 96 -12.586 -3.773 -8.226 672 HG LEU 96 HG LEU 96 -13.806 -5.519 -6.626 673 HD11 LEU 96 1HD1 LEU 96 -15.189 -3.802 -5.545 674 HD12 LEU 96 2HD1 LEU 96 -16.162 -5.000 -6.399 675 HD13 LEU 96 3HD1 LEU 96 -15.903 -3.407 -7.109 676 HD21 LEU 96 1HD2 LEU 96 -14.239 -6.282 -8.663 677 HD22 LEU 96 2HD2 LEU 96 -14.045 -4.669 -9.349 678 HD23 LEU 96 3HD2 LEU 96 -15.621 -5.189 -8.749 679 H GLY 97 H GLY 97 -12.221 -0.984 -6.539 680 HA2 GLY 97 1HA GLY 97 -10.044 -0.444 -8.094 681 HA3 GLY 97 2HA GLY 97 -10.643 0.665 -6.869 682 H LEU 98 H LEU 98 -10.022 -0.483 -4.530 683 HA LEU 98 HA LEU 98 -7.395 0.158 -4.075 684 HB2 LEU 98 1HB LEU 98 -8.915 -0.096 -2.254 685 HB3 LEU 98 2HB LEU 98 -9.169 -1.799 -2.631 686 HG LEU 98 HG LEU 98 -6.917 -2.327 -1.903 687 HD11 LEU 98 1HD1 LEU 98 -5.390 -0.726 -1.067 688 HD12 LEU 98 2HD1 LEU 98 -6.599 0.556 -1.107 689 HD13 LEU 98 3HD1 LEU 98 -5.964 -0.104 -2.614 690 HD21 LEU 98 1HD2 LEU 98 -7.566 -0.769 0.430 691 HD22 LEU 98 2HD2 LEU 98 -7.659 -2.513 0.182 692 HD23 LEU 98 3HD2 LEU 98 -9.019 -1.483 -0.270 693 H ILE 99 H ILE 99 -8.678 -3.147 -4.477 694 HA ILE 99 HA ILE 99 -6.351 -4.585 -4.317 695 HB ILE 99 HB ILE 99 -8.623 -5.092 -6.241 696 HG12 ILE 99 1HG1 ILE 99 -8.172 -6.255 -3.489 697 HG13 ILE 99 2HG1 ILE 99 -9.217 -4.873 -3.799 698 HG21 ILE 99 1HG2 ILE 99 -6.825 -7.192 -5.098 699 HG22 ILE 99 2HG2 ILE 99 -7.846 -7.258 -6.533 700 HG23 ILE 99 3HG2 ILE 99 -6.362 -6.305 -6.551 701 HD11 ILE 99 1HD1 ILE 99 -10.394 -6.447 -5.474 702 HD12 ILE 99 2HD1 ILE 99 -9.585 -7.730 -4.572 703 HD13 ILE 99 3HD1 ILE 99 -10.696 -6.638 -3.747 704 H ALA 100 H ALA 100 -7.731 -3.160 -7.277 705 HA ALA 100 HA ALA 100 -5.630 -3.920 -8.987 706 HB1 ALA 100 1HB ALA 100 -7.557 -3.318 -10.109 707 HB2 ALA 100 2HB ALA 100 -7.797 -1.866 -9.135 708 HB3 ALA 100 3HB ALA 100 -6.530 -1.905 -10.362 709 H TYR 101 H TYR 101 -6.129 -1.062 -6.984 710 HA TYR 101 HA TYR 101 -4.061 0.529 -7.992 711 HB2 TYR 101 1HB TYR 101 -5.797 1.375 -6.470 712 HB3 TYR 101 2HB TYR 101 -5.129 0.404 -5.163 713 HD1 TYR 101 1HD TYR 101 -3.562 2.648 -7.712 714 HD2 TYR 101 2HD TYR 101 -4.163 1.786 -3.589 715 HE1 TYR 101 1HE TYR 101 -2.060 4.500 -7.113 716 HE2 TYR 101 2HE TYR 101 -2.662 3.637 -2.978 717 HH TYR 101 HH TYR 101 -0.991 5.544 -5.459 718 H LEU 102 H LEU 102 -4.050 -1.724 -5.235 719 HA LEU 102 HA LEU 102 -1.324 -1.395 -4.600 720 HB2 LEU 102 1HB LEU 102 -3.097 -3.784 -4.109 721 HB3 LEU 102 2HB LEU 102 -1.567 -3.446 -3.303 722 HG LEU 102 HG LEU 102 -4.022 -1.709 -3.080 723 HD11 LEU 102 1HD1 LEU 102 -3.861 -2.737 -0.666 724 HD12 LEU 102 2HD1 LEU 102 -3.108 -4.077 -1.529 725 HD13 LEU 102 3HD1 LEU 102 -4.740 -3.563 -1.952 726 HD21 LEU 102 1HD2 LEU 102 -2.013 -1.610 -0.979 727 HD22 LEU 102 2HD2 LEU 102 -2.788 -0.298 -1.869 728 HD23 LEU 102 3HD2 LEU 102 -1.384 -1.120 -2.553 729 H SER 103 H SER 103 -3.015 -3.763 -6.624 730 HA SER 103 HA SER 103 -1.089 -5.565 -7.227 731 HB2 SER 103 1HB SER 103 -3.337 -5.638 -8.205 732 HB3 SER 103 2HB SER 103 -2.949 -4.254 -9.225 733 HG SER 103 HG SER 103 -1.067 -5.845 -9.796 734 H HIS 104 H HIS 104 -1.293 -2.263 -8.430 735 HA HIS 104 HA HIS 104 0.729 -2.419 -10.374 736 HB2 HIS 104 1HB HIS 104 -0.204 -0.070 -8.712 737 HB3 HIS 104 2HB HIS 104 0.873 0.060 -10.100 738 HD1 HIS 104 1HD HIS 104 -0.909 1.541 -11.301 739 HD2 HIS 104 2HD HIS 104 -2.154 -2.334 -10.469 740 HE1 HIS 104 1HE HIS 104 -2.989 1.195 -12.670 741 HE2 HIS 104 2HE HIS 104 -3.773 -1.127 -12.084 742 H PHE 105 H PHE 105 0.865 -1.473 -6.951 743 HA PHE 105 HA PHE 105 3.520 -0.760 -6.762 744 HB2 PHE 105 1HB PHE 105 1.681 -2.102 -4.789 745 HB3 PHE 105 2HB PHE 105 3.330 -1.654 -4.362 746 HD1 PHE 105 1HD PHE 105 0.146 -0.256 -5.662 747 HD2 PHE 105 2HD PHE 105 3.814 0.499 -3.640 748 HE1 PHE 105 1HE PHE 105 -0.616 2.026 -5.140 749 HE2 PHE 105 2HE PHE 105 3.059 2.781 -3.113 750 HZ PHE 105 HZ PHE 105 0.841 3.546 -3.863 751 H HIS 106 H HIS 106 2.162 -4.005 -6.178 752 HA HIS 106 HA HIS 106 4.635 -5.296 -5.829 753 HB2 HIS 106 1HB HIS 106 2.452 -6.245 -5.132 754 HB3 HIS 106 2HB HIS 106 2.041 -6.494 -6.826 755 HD1 HIS 106 1HD HIS 106 2.319 -8.860 -7.441 756 HD2 HIS 106 2HD HIS 106 5.180 -7.649 -4.682 757 HE1 HIS 106 1HE HIS 106 3.755 -10.883 -7.030 758 HE2 HIS 106 2HE HIS 106 5.427 -10.149 -5.294 759 H SER 107 H SER 107 2.475 -5.306 -8.671 760 HA SER 107 HA SER 107 3.899 -6.743 -10.457 761 HB2 SER 107 1HB SER 107 2.469 -4.128 -10.978 762 HB3 SER 107 2HB SER 107 2.999 -5.237 -12.243 763 HG SER 107 HG SER 107 0.776 -5.332 -10.759 764 H ALA 108 H ALA 108 4.770 -3.641 -9.173 765 HA ALA 108 HA ALA 108 6.986 -3.383 -11.073 766 HB1 ALA 108 1HB ALA 108 6.107 -1.409 -8.972 767 HB2 ALA 108 2HB ALA 108 7.216 -1.125 -10.314 768 HB3 ALA 108 3HB ALA 108 5.508 -1.426 -10.632 769 H PHE 109 H PHE 109 6.300 -3.755 -7.637 770 HA PHE 109 HA PHE 109 9.182 -4.066 -7.129 771 HB2 PHE 109 1HB PHE 109 6.904 -3.379 -5.268 772 HB3 PHE 109 2HB PHE 109 8.532 -3.754 -4.712 773 HD1 PHE 109 1HD PHE 109 6.674 -1.451 -6.963 774 HD2 PHE 109 2HD PHE 109 10.105 -2.069 -4.521 775 HE1 PHE 109 1HE PHE 109 7.318 0.902 -7.279 776 HE2 PHE 109 2HE PHE 109 10.753 0.284 -4.832 777 HZ PHE 109 HZ PHE 109 9.359 1.773 -6.212 778 H LYS 110 H LYS 110 7.969 -6.185 -8.355 779 HA LYS 110 HA LYS 110 7.580 -8.142 -6.188 780 HB2 LYS 110 1HB LYS 110 6.422 -9.536 -7.847 781 HB3 LYS 110 2HB LYS 110 5.653 -7.965 -7.672 782 HG2 LYS 110 1HG LYS 110 6.228 -7.291 -9.768 783 HG3 LYS 110 2HG LYS 110 7.689 -8.280 -9.807 784 HD2 LYS 110 1HD LYS 110 6.529 -10.201 -10.390 785 HD3 LYS 110 2HD LYS 110 4.995 -9.583 -9.769 786 HE2 LYS 110 1HE LYS 110 4.698 -8.164 -11.620 787 HE3 LYS 110 2HE LYS 110 6.379 -8.331 -12.123 788 HZ1 LYS 110 1HZ LYS 110 4.696 -9.612 -13.453 789 HZ2 LYS 110 2HZ LYS 110 4.485 -10.609 -12.103 790 HZ3 LYS 110 3HZ LYS 110 5.996 -10.519 -12.860 791 H SER 111 H SER 111 8.345 -10.383 -6.753 792 HA SER 111 HA SER 111 10.405 -10.727 -8.685 793 HB2 SER 111 1HB SER 111 11.738 -9.388 -7.179 794 HB3 SER 111 2HB SER 111 11.237 -10.363 -5.798 795 HG SER 111 HG SER 111 12.414 -11.733 -7.900 796 H GLY 112 H GLY 112 11.087 -12.876 -8.857 797 HA2 GLY 112 1HA GLY 112 11.236 -15.059 -7.604 798 HA3 GLY 112 2HA GLY 112 9.563 -14.756 -7.162 799 HA PRO 113 HA PRO 113 9.466 -17.469 -10.877 800 HB2 PRO 113 1HB PRO 113 7.369 -18.954 -10.003 801 HB3 PRO 113 2HB PRO 113 9.044 -19.298 -9.554 802 HG2 PRO 113 1HG PRO 113 6.926 -17.854 -8.006 803 HG3 PRO 113 2HG PRO 113 8.099 -19.059 -7.442 804 HD2 PRO 113 1HD PRO 113 8.441 -16.401 -7.055 805 HD3 PRO 113 2HD PRO 113 9.803 -17.514 -7.292 806 H SER 114 H SER 114 8.288 -17.025 -12.643 807 HA SER 114 HA SER 114 6.186 -15.066 -12.480 808 HB2 SER 114 1HB SER 114 7.639 -16.451 -14.704 809 HB3 SER 114 2HB SER 114 6.123 -15.620 -15.051 810 HG SER 114 HG SER 114 7.544 -14.029 -15.277 811 H SER 115 H SER 115 6.352 -18.349 -13.871 812 HA SER 115 HA SER 115 3.451 -18.585 -13.412 813 HB2 SER 115 1HB SER 115 5.243 -19.816 -15.504 814 HB3 SER 115 2HB SER 115 3.625 -20.433 -15.173 815 HG SER 115 HG SER 115 4.040 -17.697 -15.699 816 H GLY 116 H GLY 116 3.515 -19.383 -11.322 817 HA2 GLY 116 1HA GLY 116 5.228 -21.371 -10.356 818 HA3 GLY 116 2HA GLY 116 3.647 -20.991 -9.691 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.361 -28.629 0.532 2 HA2 GLY 1 1HA GLY 1 6.020 -28.073 -0.565 3 HA3 GLY 1 2HA GLY 1 4.992 -29.435 -0.984 4 H SER 2 H SER 2 2.621 -28.073 -1.566 5 HA SER 2 HA SER 2 2.791 -27.554 -4.227 6 HB2 SER 2 1HB SER 2 0.648 -27.750 -3.086 7 HB3 SER 2 2HB SER 2 0.925 -26.224 -2.246 8 HG SER 2 HG SER 2 0.028 -26.685 -4.789 9 H SER 3 H SER 3 4.421 -26.328 -5.021 10 HA SER 3 HA SER 3 4.658 -23.561 -4.051 11 HB2 SER 3 1HB SER 3 6.700 -25.027 -3.948 12 HB3 SER 3 2HB SER 3 6.665 -25.102 -5.709 13 HG SER 3 HG SER 3 7.646 -23.258 -5.708 14 H GLY 4 H GLY 4 2.978 -22.675 -5.273 15 HA2 GLY 4 1HA GLY 4 3.628 -21.631 -7.765 16 HA3 GLY 4 2HA GLY 4 2.675 -23.077 -8.064 17 H SER 5 H SER 5 2.109 -20.195 -8.544 18 HA SER 5 HA SER 5 -0.583 -20.215 -7.461 19 HB2 SER 5 1HB SER 5 0.980 -18.980 -5.824 20 HB3 SER 5 2HB SER 5 1.063 -17.723 -7.057 21 HG SER 5 HG SER 5 -1.011 -18.422 -5.375 22 H SER 6 H SER 6 -2.043 -19.146 -8.736 23 HA SER 6 HA SER 6 -1.057 -17.490 -10.932 24 HB2 SER 6 1HB SER 6 -2.774 -19.953 -11.321 25 HB3 SER 6 2HB SER 6 -2.449 -18.751 -12.570 26 HG SER 6 HG SER 6 -0.563 -20.415 -11.256 27 H GLY 7 H GLY 7 -2.198 -15.677 -10.918 28 HA2 GLY 7 1HA GLY 7 -3.908 -14.186 -10.554 29 HA3 GLY 7 2HA GLY 7 -4.943 -15.464 -11.172 30 H THR 8 H THR 8 -3.115 -14.837 -8.172 31 HA THR 8 HA THR 8 -5.597 -15.320 -6.670 32 HB THR 8 HB THR 8 -2.879 -16.428 -5.937 33 HG1 THR 8 1HG THR 8 -5.185 -17.982 -6.388 34 HG21 THR 8 1HG2 THR 8 -4.529 -17.656 -4.253 35 HG22 THR 8 2HG2 THR 8 -5.443 -16.163 -4.458 36 HG23 THR 8 3HG2 THR 8 -3.784 -16.106 -3.864 37 H GLN 9 H GLN 9 -6.035 -13.784 -5.225 38 HA GLN 9 HA GLN 9 -4.474 -11.474 -4.960 39 HB2 GLN 9 1HB GLN 9 -6.666 -12.531 -3.166 40 HB3 GLN 9 2HB GLN 9 -6.006 -10.903 -3.087 41 HG2 GLN 9 1HG GLN 9 -7.839 -10.511 -4.365 42 HG3 GLN 9 2HG GLN 9 -6.670 -10.876 -5.633 43 HE21 GLN 9 1HE2 GLN 9 -9.674 -11.596 -4.379 44 HE22 GLN 9 2HE2 GLN 9 -9.974 -13.067 -5.233 45 H GLU 10 H GLU 10 -4.678 -14.384 -2.992 46 HA GLU 10 HA GLU 10 -3.449 -13.691 -0.673 47 HB2 GLU 10 1HB GLU 10 -4.214 -16.008 -1.501 48 HB3 GLU 10 2HB GLU 10 -2.587 -16.167 -2.147 49 HG2 GLU 10 1HG GLU 10 -1.615 -16.096 -0.012 50 HG3 GLU 10 2HG GLU 10 -3.100 -15.508 0.733 51 H GLU 11 H GLU 11 -1.817 -14.424 -3.738 52 HA GLU 11 HA GLU 11 0.816 -14.211 -2.865 53 HB2 GLU 11 1HB GLU 11 -0.248 -14.854 -5.202 54 HB3 GLU 11 2HB GLU 11 0.088 -13.168 -5.564 55 HG2 GLU 11 1HG GLU 11 2.465 -13.686 -4.723 56 HG3 GLU 11 2HG GLU 11 2.004 -15.374 -4.935 57 H LEU 12 H LEU 12 -1.485 -11.722 -3.783 58 HA LEU 12 HA LEU 12 0.434 -9.592 -3.748 59 HB2 LEU 12 1HB LEU 12 -1.496 -9.340 -5.123 60 HB3 LEU 12 2HB LEU 12 -2.576 -9.642 -3.763 61 HG LEU 12 HG LEU 12 -1.646 -7.481 -2.768 62 HD11 LEU 12 1HD1 LEU 12 -0.828 -5.872 -4.484 63 HD12 LEU 12 2HD1 LEU 12 -0.661 -7.225 -5.602 64 HD13 LEU 12 3HD1 LEU 12 0.298 -7.181 -4.124 65 HD21 LEU 12 1HD2 LEU 12 -3.871 -7.492 -3.538 66 HD22 LEU 12 2HD2 LEU 12 -3.372 -7.579 -5.227 67 HD23 LEU 12 3HD2 LEU 12 -3.115 -6.096 -4.306 68 H LEU 13 H LEU 13 -2.087 -10.740 -1.528 69 HA LEU 13 HA LEU 13 -1.830 -8.784 0.436 70 HB2 LEU 13 1HB LEU 13 -3.668 -10.241 0.577 71 HB3 LEU 13 2HB LEU 13 -2.640 -11.672 0.543 72 HG LEU 13 HG LEU 13 -1.788 -10.910 2.823 73 HD11 LEU 13 1HD1 LEU 13 -4.033 -8.997 2.374 74 HD12 LEU 13 2HD1 LEU 13 -2.451 -8.725 3.104 75 HD13 LEU 13 3HD1 LEU 13 -3.700 -9.588 4.003 76 HD21 LEU 13 1HD2 LEU 13 -3.280 -12.300 3.814 77 HD22 LEU 13 2HD2 LEU 13 -3.692 -12.645 2.134 78 HD23 LEU 13 3HD2 LEU 13 -4.675 -11.517 3.069 79 H ARG 14 H ARG 14 -0.460 -12.077 0.613 80 HA ARG 14 HA ARG 14 1.136 -11.831 2.791 81 HB2 ARG 14 1HB ARG 14 1.895 -13.222 0.216 82 HB3 ARG 14 2HB ARG 14 2.621 -13.518 1.790 83 HG2 ARG 14 1HG ARG 14 0.470 -14.310 2.635 84 HG3 ARG 14 2HG ARG 14 -0.258 -14.011 1.056 85 HD2 ARG 14 1HD ARG 14 1.968 -15.952 1.670 86 HD3 ARG 14 2HD ARG 14 0.293 -16.362 1.302 87 HE ARG 14 HE ARG 14 1.036 -14.978 -0.877 88 HH11 ARG 14 2HH1 ARG 14 2.519 -17.620 0.837 89 HH12 ARG 14 1HH1 ARG 14 3.280 -18.279 -0.573 90 HH21 ARG 14 2HH2 ARG 14 2.032 -15.837 -2.741 91 HH22 ARG 14 1HH2 ARG 14 3.002 -17.263 -2.607 92 H TRP 15 H TRP 15 2.046 -10.914 -0.522 93 HA TRP 15 HA TRP 15 4.639 -10.065 -0.029 94 HB2 TRP 15 1HB TRP 15 3.762 -10.282 -2.289 95 HB3 TRP 15 2HB TRP 15 2.629 -8.963 -2.004 96 HD1 TRP 15 HD TRP 15 6.391 -9.604 -2.499 97 HE1 TRP 15 1HE TRP 15 7.492 -7.406 -3.266 98 HE3 TRP 15 3HE TRP 15 2.379 -6.473 -2.010 99 HZ2 TRP 15 2HZ TRP 15 6.757 -4.704 -3.615 100 HZ3 TRP 15 3HZ TRP 15 2.663 -4.096 -2.580 101 HH2 TRP 15 HH TRP 15 4.807 -3.231 -3.365 102 H CYS 16 H CYS 16 1.598 -8.290 0.304 103 HA CYS 16 HA CYS 16 2.785 -5.796 0.945 104 HB2 CYS 16 1HB CYS 16 0.024 -6.846 1.597 105 HB3 CYS 16 2HB CYS 16 0.529 -5.167 1.726 106 HG CYS 16 HG CYS 16 -0.145 -6.987 -1.049 107 H GLN 17 H GLN 17 1.704 -8.538 2.868 108 HA GLN 17 HA GLN 17 1.891 -7.329 5.401 109 HB2 GLN 17 1HB GLN 17 2.094 -10.202 4.509 110 HB3 GLN 17 2HB GLN 17 2.169 -9.732 6.202 111 HG2 GLN 17 1HG GLN 17 -0.045 -8.853 6.133 112 HG3 GLN 17 2HG GLN 17 -0.124 -9.049 4.382 113 HE21 GLN 17 1HE2 GLN 17 -1.850 -10.118 6.491 114 HE22 GLN 17 2HE2 GLN 17 -1.837 -11.833 6.288 115 H GLU 18 H GLU 18 4.282 -8.794 3.307 116 HA GLU 18 HA GLU 18 6.338 -8.934 5.292 117 HB2 GLU 18 1HB GLU 18 6.232 -9.268 2.318 118 HB3 GLU 18 2HB GLU 18 7.790 -9.104 3.115 119 HG2 GLU 18 1HG GLU 18 6.802 -10.995 4.665 120 HG3 GLU 18 2HG GLU 18 5.815 -11.314 3.240 121 H GLN 19 H GLN 19 5.476 -6.658 2.727 122 HA GLN 19 HA GLN 19 7.733 -4.963 3.126 123 HB2 GLN 19 1HB GLN 19 5.081 -4.404 1.787 124 HB3 GLN 19 2HB GLN 19 6.497 -3.365 1.700 125 HG2 GLN 19 1HG GLN 19 6.057 -6.056 0.476 126 HG3 GLN 19 2HG GLN 19 6.552 -4.548 -0.292 127 HE21 GLN 19 1HE2 GLN 19 7.653 -7.443 0.202 128 HE22 GLN 19 2HE2 GLN 19 9.322 -7.145 0.536 129 H THR 20 H THR 20 4.290 -4.635 3.981 130 HA THR 20 HA THR 20 4.535 -2.226 5.395 131 HB THR 20 HB THR 20 2.382 -2.802 6.447 132 HG1 THR 20 1HG THR 20 2.999 -5.343 5.366 133 HG21 THR 20 1HG2 THR 20 2.836 -3.058 3.524 134 HG22 THR 20 2HG2 THR 20 1.897 -1.867 4.424 135 HG23 THR 20 3HG2 THR 20 1.237 -3.477 4.136 136 H ALA 21 H ALA 21 5.159 -5.527 6.325 137 HA ALA 21 HA ALA 21 5.010 -5.579 9.024 138 HB1 ALA 21 1HB ALA 21 6.253 -7.126 7.126 139 HB2 ALA 21 2HB ALA 21 7.593 -6.597 8.143 140 HB3 ALA 21 3HB ALA 21 6.223 -7.445 8.861 141 H GLY 22 H GLY 22 6.380 -5.063 10.781 142 HA2 GLY 22 1HA GLY 22 8.222 -3.994 11.801 143 HA3 GLY 22 2HA GLY 22 8.594 -3.223 10.267 144 H TYR 23 H TYR 23 6.255 -2.007 9.601 145 HA TYR 23 HA TYR 23 6.321 0.356 11.072 146 HB2 TYR 23 1HB TYR 23 5.369 -0.097 8.713 147 HB3 TYR 23 2HB TYR 23 3.879 -0.520 9.548 148 HD1 TYR 23 2HD TYR 23 3.408 1.371 11.544 149 HD2 TYR 23 1HD TYR 23 5.316 2.009 7.794 150 HE1 TYR 23 2HE TYR 23 2.780 3.747 11.636 151 HE2 TYR 23 1HE TYR 23 4.696 4.388 7.877 152 HH TYR 23 HH TYR 23 3.990 6.019 10.348 153 HA PRO 24 HA PRO 24 4.033 -0.796 14.694 154 HB2 PRO 24 1HB PRO 24 3.874 1.695 15.763 155 HB3 PRO 24 2HB PRO 24 5.350 0.722 15.809 156 HG2 PRO 24 1HG PRO 24 4.600 2.940 13.943 157 HG3 PRO 24 2HG PRO 24 6.153 2.625 14.741 158 HD2 PRO 24 1HD PRO 24 5.683 1.967 12.157 159 HD3 PRO 24 2HD PRO 24 6.762 1.020 13.202 160 H GLY 25 H GLY 25 1.920 -1.218 14.702 161 HA2 GLY 25 1HA GLY 25 -0.340 -0.502 14.962 162 HA3 GLY 25 2HA GLY 25 0.044 0.941 14.034 163 H VAL 26 H VAL 26 1.348 -0.321 11.860 164 HA VAL 26 HA VAL 26 -0.931 -1.055 10.305 165 HB VAL 26 HB VAL 26 2.001 -1.204 9.589 166 HG11 VAL 26 1HG1 VAL 26 -0.462 -1.281 7.848 167 HG12 VAL 26 2HG1 VAL 26 1.200 -1.184 7.262 168 HG13 VAL 26 3HG1 VAL 26 0.656 -2.613 8.141 169 HG21 VAL 26 1HG2 VAL 26 0.082 0.930 8.723 170 HG22 VAL 26 2HG2 VAL 26 0.956 1.056 10.250 171 HG23 VAL 26 3HG2 VAL 26 1.845 0.957 8.731 172 H HIS 27 H HIS 27 -1.870 -2.979 10.542 173 HA HIS 27 HA HIS 27 -0.152 -5.367 10.528 174 HB2 HIS 27 1HB HIS 27 -1.981 -6.429 11.984 175 HB3 HIS 27 2HB HIS 27 -0.882 -5.296 12.766 176 HD1 HIS 27 1HD HIS 27 -2.005 -3.618 14.181 177 HD2 HIS 27 2HD HIS 27 -4.498 -4.997 11.157 178 HE1 HIS 27 1HE HIS 27 -4.218 -2.484 14.564 179 HE2 HIS 27 2HE HIS 27 -5.734 -3.399 12.773 180 H VAL 28 H VAL 28 -0.848 -4.743 8.159 181 HA VAL 28 HA VAL 28 -3.352 -5.116 7.122 182 HB VAL 28 HB VAL 28 -0.776 -6.122 5.903 183 HG11 VAL 28 1HG1 VAL 28 -2.499 -5.262 3.898 184 HG12 VAL 28 2HG1 VAL 28 -2.084 -6.931 4.294 185 HG13 VAL 28 3HG1 VAL 28 -3.521 -6.188 4.998 186 HG21 VAL 28 1HG2 VAL 28 -0.609 -3.778 6.467 187 HG22 VAL 28 2HG2 VAL 28 -0.776 -3.951 4.720 188 HG23 VAL 28 3HG2 VAL 28 -2.158 -3.448 5.694 189 H SER 29 H SER 29 -4.771 -6.690 7.435 190 HA SER 29 HA SER 29 -3.781 -9.461 7.612 191 HB2 SER 29 1HB SER 29 -5.759 -9.947 9.017 192 HB3 SER 29 2HB SER 29 -4.724 -8.718 9.743 193 HG SER 29 HG SER 29 -6.880 -8.069 9.853 194 H ASP 30 H ASP 30 -5.963 -7.253 6.100 195 HA ASP 30 HA ASP 30 -6.547 -9.111 4.011 196 HB2 ASP 30 1HB ASP 30 -8.743 -8.362 5.946 197 HB3 ASP 30 2HB ASP 30 -9.054 -8.989 4.330 198 H LEU 31 H LEU 31 -7.344 -8.110 2.174 199 HA LEU 31 HA LEU 31 -7.019 -5.255 2.094 200 HB2 LEU 31 1HB LEU 31 -7.672 -7.344 0.042 201 HB3 LEU 31 2HB LEU 31 -7.713 -5.626 -0.345 202 HG LEU 31 HG LEU 31 -5.330 -5.451 0.220 203 HD11 LEU 31 1HD1 LEU 31 -5.779 -8.231 1.105 204 HD12 LEU 31 2HD1 LEU 31 -4.670 -7.005 1.718 205 HD13 LEU 31 3HD1 LEU 31 -4.264 -7.911 0.260 206 HD21 LEU 31 1HD2 LEU 31 -5.417 -7.740 -1.663 207 HD22 LEU 31 2HD2 LEU 31 -4.633 -6.168 -1.820 208 HD23 LEU 31 3HD2 LEU 31 -6.373 -6.315 -2.069 209 H SER 32 H SER 32 -9.009 -5.532 3.800 210 HA SER 32 HA SER 32 -11.436 -4.888 2.256 211 HB2 SER 32 1HB SER 32 -11.575 -7.007 3.601 212 HB3 SER 32 2HB SER 32 -11.363 -6.033 5.056 213 HG SER 32 HG SER 32 -13.261 -4.834 4.282 214 H SER 33 H SER 33 -10.267 -4.444 5.597 215 HA SER 33 HA SER 33 -10.931 -1.583 5.342 216 HB2 SER 33 1HB SER 33 -11.429 -3.481 7.631 217 HB3 SER 33 2HB SER 33 -11.371 -1.735 7.873 218 HG SER 33 HG SER 33 -13.453 -2.060 7.437 219 H SER 34 H SER 34 -8.706 -4.003 6.442 220 HA SER 34 HA SER 34 -7.072 -2.648 8.181 221 HB2 SER 34 1HB SER 34 -6.930 -5.074 7.115 222 HB3 SER 34 2HB SER 34 -5.758 -4.288 6.058 223 HG SER 34 HG SER 34 -5.544 -4.990 8.693 224 H TRP 35 H TRP 35 -7.531 -2.083 4.811 225 HA TRP 35 HA TRP 35 -5.185 -0.324 4.700 226 HB2 TRP 35 1HB TRP 35 -6.999 -1.301 2.484 227 HB3 TRP 35 2HB TRP 35 -5.585 -0.276 2.263 228 HD1 TRP 35 HD TRP 35 -6.425 -3.827 3.577 229 HE1 TRP 35 1HE TRP 35 -4.421 -5.356 3.061 230 HE3 TRP 35 3HE TRP 35 -3.239 -0.351 1.602 231 HZ2 TRP 35 2HZ TRP 35 -1.832 -5.121 1.962 232 HZ3 TRP 35 3HZ TRP 35 -1.017 -1.085 0.843 233 HH2 TRP 35 HH TRP 35 -0.329 -3.420 1.020 234 H ALA 36 H ALA 36 -8.593 -0.285 4.985 235 HA ALA 36 HA ALA 36 -9.243 2.165 3.798 236 HB1 ALA 36 1HB ALA 36 -10.973 0.648 4.469 237 HB2 ALA 36 2HB ALA 36 -10.483 0.762 6.161 238 HB3 ALA 36 3HB ALA 36 -11.187 2.161 5.350 239 H ASP 37 H ASP 37 -7.864 1.407 6.937 240 HA ASP 37 HA ASP 37 -8.235 3.789 8.286 241 HB2 ASP 37 1HB ASP 37 -7.272 2.068 9.543 242 HB3 ASP 37 2HB ASP 37 -6.030 1.751 8.336 243 H GLY 38 H GLY 38 -5.413 2.914 6.277 244 HA2 GLY 38 1HA GLY 38 -4.866 4.771 4.622 245 HA3 GLY 38 2HA GLY 38 -4.817 5.794 6.050 246 H LEU 39 H LEU 39 -3.439 4.392 7.866 247 HA LEU 39 HA LEU 39 -0.802 4.813 7.294 248 HB2 LEU 39 1HB LEU 39 -2.234 3.089 9.237 249 HB3 LEU 39 2HB LEU 39 -0.504 2.819 9.034 250 HG LEU 39 HG LEU 39 -1.719 5.481 9.759 251 HD11 LEU 39 1HD1 LEU 39 -1.295 3.134 11.371 252 HD12 LEU 39 2HD1 LEU 39 -2.033 4.676 11.802 253 HD13 LEU 39 3HD1 LEU 39 -0.286 4.471 11.926 254 HD21 LEU 39 1HD2 LEU 39 0.471 5.598 8.680 255 HD22 LEU 39 2HD2 LEU 39 1.118 4.460 9.864 256 HD23 LEU 39 3HD2 LEU 39 0.568 6.055 10.381 257 H ALA 40 H ALA 40 -2.591 1.772 6.900 258 HA ALA 40 HA ALA 40 -0.729 -0.032 6.218 259 HB1 ALA 40 1HB ALA 40 -3.485 0.413 5.470 260 HB2 ALA 40 2HB ALA 40 -2.582 -0.379 4.177 261 HB3 ALA 40 3HB ALA 40 -2.633 -1.098 5.787 262 H LEU 41 H LEU 41 -2.183 2.063 3.718 263 HA LEU 41 HA LEU 41 -0.386 1.435 1.689 264 HB2 LEU 41 1HB LEU 41 -2.245 3.686 2.232 265 HB3 LEU 41 2HB LEU 41 -1.042 3.906 0.963 266 HG LEU 41 HG LEU 41 -3.115 1.714 1.056 267 HD11 LEU 41 1HD1 LEU 41 -4.285 3.678 0.576 268 HD12 LEU 41 2HD1 LEU 41 -3.928 2.985 -1.006 269 HD13 LEU 41 3HD1 LEU 41 -2.968 4.334 -0.398 270 HD21 LEU 41 1HD2 LEU 41 -0.666 1.986 -0.410 271 HD22 LEU 41 2HD2 LEU 41 -2.037 2.045 -1.516 272 HD23 LEU 41 3HD2 LEU 41 -1.839 0.670 -0.430 273 H CYS 42 H CYS 42 -0.175 3.817 4.262 274 HA CYS 42 HA CYS 42 2.004 5.295 3.306 275 HB2 CYS 42 1HB CYS 42 1.402 4.698 6.207 276 HB3 CYS 42 2HB CYS 42 2.275 6.085 5.566 277 HG CYS 42 HG CYS 42 -1.008 5.530 4.808 278 H ALA 43 H ALA 43 1.927 2.471 5.467 279 HA ALA 43 HA ALA 43 4.668 2.246 5.913 280 HB1 ALA 43 1HB ALA 43 3.720 0.765 7.292 281 HB2 ALA 43 2HB ALA 43 2.323 0.542 6.238 282 HB3 ALA 43 3HB ALA 43 3.809 -0.357 5.935 283 H LEU 44 H LEU 44 2.666 0.702 3.408 284 HA LEU 44 HA LEU 44 4.659 -0.778 2.156 285 HB2 LEU 44 1HB LEU 44 2.407 -1.182 1.567 286 HB3 LEU 44 2HB LEU 44 2.151 0.499 1.106 287 HG LEU 44 HG LEU 44 3.810 0.061 -0.782 288 HD11 LEU 44 1HD1 LEU 44 4.400 -2.085 -1.366 289 HD12 LEU 44 2HD1 LEU 44 3.080 -2.813 -0.452 290 HD13 LEU 44 3HD1 LEU 44 4.483 -2.163 0.393 291 HD21 LEU 44 1HD2 LEU 44 1.528 0.349 -1.317 292 HD22 LEU 44 2HD2 LEU 44 1.095 -1.224 -0.649 293 HD23 LEU 44 3HD2 LEU 44 2.037 -1.127 -2.136 294 H VAL 45 H VAL 45 3.577 2.538 1.475 295 HA VAL 45 HA VAL 45 5.386 3.005 -0.646 296 HB VAL 45 HB VAL 45 4.075 5.009 1.198 297 HG11 VAL 45 1HG1 VAL 45 4.666 5.875 -1.508 298 HG12 VAL 45 2HG1 VAL 45 5.027 6.656 0.033 299 HG13 VAL 45 3HG1 VAL 45 6.121 5.433 -0.615 300 HG21 VAL 45 1HG2 VAL 45 2.849 5.064 -1.298 301 HG22 VAL 45 2HG2 VAL 45 3.049 3.349 -0.935 302 HG23 VAL 45 3HG2 VAL 45 2.185 4.393 0.192 303 H TYR 46 H TYR 46 5.460 4.397 2.640 304 HA TYR 46 HA TYR 46 7.919 5.547 2.628 305 HB2 TYR 46 1HB TYR 46 6.441 4.110 4.816 306 HB3 TYR 46 2HB TYR 46 8.020 4.828 5.118 307 HD1 TYR 46 1HD TYR 46 8.153 7.352 4.054 308 HD2 TYR 46 2HD TYR 46 4.653 5.392 5.473 309 HE1 TYR 46 1HE TYR 46 7.091 9.537 4.434 310 HE2 TYR 46 2HE TYR 46 3.580 7.572 5.854 311 HH TYR 46 HH TYR 46 3.944 10.019 4.766 312 H ARG 47 H ARG 47 7.247 2.134 3.355 313 HA ARG 47 HA ARG 47 9.886 1.351 3.871 314 HB2 ARG 47 1HB ARG 47 7.924 -0.030 4.418 315 HB3 ARG 47 2HB ARG 47 7.632 -0.292 2.704 316 HG2 ARG 47 1HG ARG 47 8.707 -2.231 3.364 317 HG3 ARG 47 2HG ARG 47 10.013 -1.269 2.668 318 HD2 ARG 47 1HD ARG 47 10.339 -0.433 5.108 319 HD3 ARG 47 2HD ARG 47 9.428 -1.880 5.537 320 HE ARG 47 HE ARG 47 12.143 -1.763 4.713 321 HH11 ARG 47 2HH1 ARG 47 9.267 -3.715 4.508 322 HH12 ARG 47 1HH1 ARG 47 10.134 -5.201 4.298 323 HH21 ARG 47 2HH2 ARG 47 13.295 -3.713 4.436 324 HH22 ARG 47 1HH2 ARG 47 12.424 -5.198 4.257 325 H LEU 48 H LEU 48 8.014 0.778 0.885 326 HA LEU 48 HA LEU 48 9.858 -0.262 -0.764 327 HB2 LEU 48 1HB LEU 48 7.735 1.778 -1.254 328 HB3 LEU 48 2HB LEU 48 8.814 1.316 -2.569 329 HG LEU 48 HG LEU 48 7.169 -0.681 -1.030 330 HD11 LEU 48 1HD1 LEU 48 5.530 0.703 -1.971 331 HD12 LEU 48 2HD1 LEU 48 5.722 -0.614 -3.128 332 HD13 LEU 48 3HD1 LEU 48 6.465 0.954 -3.446 333 HD21 LEU 48 1HD2 LEU 48 8.656 -0.750 -3.649 334 HD22 LEU 48 2HD2 LEU 48 7.535 -2.005 -3.118 335 HD23 LEU 48 3HD2 LEU 48 9.001 -1.679 -2.191 336 H GLN 49 H GLN 49 9.743 3.087 0.288 337 HA GLN 49 HA GLN 49 12.432 3.460 -0.831 338 HB2 GLN 49 1HB GLN 49 10.000 5.100 -1.316 339 HB3 GLN 49 2HB GLN 49 11.517 5.959 -1.094 340 HG2 GLN 49 1HG GLN 49 12.511 4.625 -2.906 341 HG3 GLN 49 2HG GLN 49 10.950 3.842 -3.155 342 HE21 GLN 49 1HE2 GLN 49 11.751 7.221 -2.492 343 HE22 GLN 49 2HE2 GLN 49 11.042 7.857 -3.933 344 HA PRO 50 HA PRO 50 12.700 4.514 3.571 345 HB2 PRO 50 1HB PRO 50 15.382 4.117 3.714 346 HB3 PRO 50 2HB PRO 50 14.209 2.798 3.806 347 HG2 PRO 50 1HG PRO 50 15.832 3.731 1.469 348 HG3 PRO 50 2HG PRO 50 15.493 2.076 2.006 349 HD2 PRO 50 1HD PRO 50 14.161 3.245 -0.041 350 HD3 PRO 50 2HD PRO 50 13.402 2.055 1.035 351 H GLY 51 H GLY 51 14.131 5.871 0.748 352 HA2 GLY 51 1HA GLY 51 15.642 7.939 1.992 353 HA3 GLY 51 2HA GLY 51 15.126 7.899 0.312 354 H LEU 52 H LEU 52 12.376 7.844 0.602 355 HA LEU 52 HA LEU 52 11.718 10.520 0.824 356 HB2 LEU 52 1HB LEU 52 10.098 8.010 1.008 357 HB3 LEU 52 2HB LEU 52 9.338 9.584 1.228 358 HG LEU 52 HG LEU 52 10.961 9.144 -1.226 359 HD11 LEU 52 1HD1 LEU 52 9.798 7.201 -1.527 360 HD12 LEU 52 2HD1 LEU 52 8.648 8.355 -2.201 361 HD13 LEU 52 3HD1 LEU 52 8.422 7.742 -0.563 362 HD21 LEU 52 1HD2 LEU 52 8.604 10.773 -0.373 363 HD22 LEU 52 2HD2 LEU 52 8.890 10.455 -2.084 364 HD23 LEU 52 3HD2 LEU 52 10.113 11.290 -1.126 365 H LEU 53 H LEU 53 10.295 11.593 2.390 366 HA LEU 53 HA LEU 53 11.344 11.639 4.953 367 HB2 LEU 53 1HB LEU 53 9.551 13.077 5.547 368 HB3 LEU 53 2HB LEU 53 9.976 13.419 3.872 369 HG LEU 53 HG LEU 53 7.688 13.471 3.767 370 HD11 LEU 53 1HD1 LEU 53 8.387 10.573 3.324 371 HD12 LEU 53 2HD1 LEU 53 8.435 11.872 2.131 372 HD13 LEU 53 3HD1 LEU 53 6.889 11.341 2.795 373 HD21 LEU 53 1HD2 LEU 53 7.468 11.102 5.615 374 HD22 LEU 53 2HD2 LEU 53 6.175 12.174 5.075 375 HD23 LEU 53 3HD2 LEU 53 7.428 12.779 6.160 376 H GLU 54 H GLU 54 9.686 11.441 6.933 377 HA GLU 54 HA GLU 54 8.704 8.665 6.859 378 HB2 GLU 54 1HB GLU 54 10.030 10.278 9.012 379 HB3 GLU 54 2HB GLU 54 8.984 8.931 9.440 380 HG2 GLU 54 1HG GLU 54 11.047 7.930 9.400 381 HG3 GLU 54 2HG GLU 54 10.454 7.593 7.774 382 HA PRO 55 HA PRO 55 4.627 9.944 7.849 383 HB2 PRO 55 1HB PRO 55 3.812 7.977 9.533 384 HB3 PRO 55 2HB PRO 55 4.031 7.726 7.797 385 HG2 PRO 55 1HG PRO 55 5.871 7.042 10.057 386 HG3 PRO 55 2HG PRO 55 5.451 6.082 8.627 387 HD2 PRO 55 1HD PRO 55 7.760 7.484 8.813 388 HD3 PRO 55 2HD PRO 55 6.920 7.227 7.271 389 H SER 56 H SER 56 7.073 10.298 9.970 390 HA SER 56 HA SER 56 6.369 10.466 12.513 391 HB2 SER 56 1HB SER 56 7.578 12.735 10.917 392 HB3 SER 56 2HB SER 56 7.546 12.678 12.679 393 HG SER 56 HG SER 56 8.549 10.434 11.396 394 H GLU 57 H GLU 57 5.032 12.545 10.003 395 HA GLU 57 HA GLU 57 3.391 13.996 11.901 396 HB2 GLU 57 1HB GLU 57 3.311 14.110 8.884 397 HB3 GLU 57 2HB GLU 57 2.631 15.280 10.005 398 HG2 GLU 57 1HG GLU 57 5.014 15.630 10.826 399 HG3 GLU 57 2HG GLU 57 5.515 14.748 9.386 400 H LEU 58 H LEU 58 2.933 11.649 9.286 401 HA LEU 58 HA LEU 58 0.180 11.510 9.222 402 HB2 LEU 58 1HB LEU 58 2.370 9.579 8.675 403 HB3 LEU 58 2HB LEU 58 0.725 8.954 8.773 404 HG LEU 58 HG LEU 58 0.074 10.556 6.984 405 HD11 LEU 58 1HD1 LEU 58 2.260 11.262 5.647 406 HD12 LEU 58 2HD1 LEU 58 2.926 11.300 7.278 407 HD13 LEU 58 3HD1 LEU 58 1.528 12.295 6.873 408 HD21 LEU 58 1HD2 LEU 58 1.380 8.116 6.791 409 HD22 LEU 58 2HD2 LEU 58 2.196 9.142 5.612 410 HD23 LEU 58 3HD2 LEU 58 0.448 8.917 5.526 411 H GLN 59 H GLN 59 2.351 10.412 11.678 412 HA GLN 59 HA GLN 59 0.861 8.445 12.943 413 HB2 GLN 59 1HB GLN 59 2.930 10.395 13.815 414 HB3 GLN 59 2HB GLN 59 2.007 9.580 15.073 415 HG2 GLN 59 1HG GLN 59 2.720 7.435 14.300 416 HG3 GLN 59 2HG GLN 59 3.481 8.148 12.878 417 HE21 GLN 59 1HE2 GLN 59 4.932 10.158 13.756 418 HE22 GLN 59 2HE2 GLN 59 6.113 9.650 14.911 419 H GLY 60 H GLY 60 0.743 11.968 13.399 420 HA2 GLY 60 1HA GLY 60 -1.641 11.625 15.084 421 HA3 GLY 60 2HA GLY 60 -0.658 13.079 14.986 422 H LEU 61 H LEU 61 -1.774 11.267 12.194 423 HA LEU 61 HA LEU 61 -3.404 13.597 11.436 424 HB2 LEU 61 1HB LEU 61 -1.724 11.683 9.914 425 HB3 LEU 61 2HB LEU 61 -3.175 12.298 9.124 426 HG LEU 61 HG LEU 61 -0.959 14.020 10.231 427 HD11 LEU 61 1HD1 LEU 61 -0.987 14.337 7.511 428 HD12 LEU 61 2HD1 LEU 61 -1.251 12.605 7.700 429 HD13 LEU 61 3HD1 LEU 61 0.168 13.363 8.421 430 HD21 LEU 61 1HD2 LEU 61 -3.610 14.631 9.579 431 HD22 LEU 61 2HD2 LEU 61 -2.639 15.208 8.224 432 HD23 LEU 61 3HD2 LEU 61 -2.286 15.762 9.861 433 H GLY 62 H GLY 62 -5.220 12.949 9.836 434 HA2 GLY 62 1HA GLY 62 -6.887 11.038 11.237 435 HA3 GLY 62 2HA GLY 62 -7.382 12.088 9.917 436 H ALA 63 H ALA 63 -7.925 9.249 10.309 437 HA ALA 63 HA ALA 63 -6.485 7.415 8.965 438 HB1 ALA 63 1HB ALA 63 -9.199 7.707 9.661 439 HB2 ALA 63 2HB ALA 63 -9.154 7.177 7.979 440 HB3 ALA 63 3HB ALA 63 -8.340 6.230 9.224 441 H LEU 64 H LEU 64 -8.468 9.932 7.458 442 HA LEU 64 HA LEU 64 -7.869 9.069 4.787 443 HB2 LEU 64 1HB LEU 64 -9.878 10.487 5.785 444 HB3 LEU 64 2HB LEU 64 -8.820 11.826 5.347 445 HG LEU 64 HG LEU 64 -8.886 11.214 3.036 446 HD11 LEU 64 1HD1 LEU 64 -9.695 8.646 4.100 447 HD12 LEU 64 2HD1 LEU 64 -9.005 9.053 2.530 448 HD13 LEU 64 3HD1 LEU 64 -10.745 9.178 2.785 449 HD21 LEU 64 1HD2 LEU 64 -11.741 10.819 3.748 450 HD22 LEU 64 2HD2 LEU 64 -11.003 11.922 2.585 451 HD23 LEU 64 3HD2 LEU 64 -10.947 12.290 4.310 452 H GLU 65 H GLU 65 -6.960 11.921 6.725 453 HA GLU 65 HA GLU 65 -5.335 13.283 5.068 454 HB2 GLU 65 1HB GLU 65 -4.803 12.607 7.964 455 HB3 GLU 65 2HB GLU 65 -3.908 13.824 7.063 456 HG2 GLU 65 1HG GLU 65 -6.891 13.918 7.355 457 HG3 GLU 65 2HG GLU 65 -5.799 14.636 8.538 458 H ALA 66 H ALA 66 -4.571 10.221 6.616 459 HA ALA 66 HA ALA 66 -1.834 10.154 5.856 460 HB1 ALA 66 1HB ALA 66 -3.376 7.644 6.288 461 HB2 ALA 66 2HB ALA 66 -1.755 8.080 6.828 462 HB3 ALA 66 3HB ALA 66 -3.166 8.761 7.637 463 H THR 67 H THR 67 -4.500 8.097 4.675 464 HA THR 67 HA THR 67 -3.378 6.905 2.545 465 HB THR 67 HB THR 67 -6.121 8.177 2.449 466 HG1 THR 67 1HG THR 67 -6.010 6.859 4.251 467 HG21 THR 67 1HG2 THR 67 -5.509 7.409 0.270 468 HG22 THR 67 2HG2 THR 67 -6.606 6.212 0.960 469 HG23 THR 67 3HG2 THR 67 -4.871 5.899 0.919 470 H ALA 68 H ALA 68 -4.510 10.252 2.624 471 HA ALA 68 HA ALA 68 -4.302 10.948 -0.032 472 HB1 ALA 68 1HB ALA 68 -4.223 13.181 0.648 473 HB2 ALA 68 2HB ALA 68 -5.060 12.359 1.966 474 HB3 ALA 68 3HB ALA 68 -3.360 12.793 2.137 475 H TRP 69 H TRP 69 -1.723 11.144 2.421 476 HA TRP 69 HA TRP 69 0.309 12.035 0.731 477 HB2 TRP 69 1HB TRP 69 0.597 12.091 3.125 478 HB3 TRP 69 2HB TRP 69 0.454 10.338 3.229 479 HD1 TRP 69 HD TRP 69 2.923 13.090 2.257 480 HE1 TRP 69 1HE TRP 69 5.278 12.064 2.092 481 HE3 TRP 69 3HE TRP 69 1.694 8.152 2.753 482 HZ2 TRP 69 2HZ TRP 69 6.458 9.500 2.162 483 HZ3 TRP 69 3HZ TRP 69 3.495 6.476 2.693 484 HH2 TRP 69 HH TRP 69 5.827 7.139 2.402 485 H ALA 70 H ALA 70 -0.165 8.693 1.894 486 HA ALA 70 HA ALA 70 1.675 7.321 0.504 487 HB1 ALA 70 1HB ALA 70 0.339 5.405 0.660 488 HB2 ALA 70 2HB ALA 70 -0.201 6.429 1.991 489 HB3 ALA 70 3HB ALA 70 -1.158 6.328 0.512 490 H LEU 71 H LEU 71 -1.544 8.058 -0.853 491 HA LEU 71 HA LEU 71 -1.069 7.088 -3.420 492 HB2 LEU 71 1HB LEU 71 -2.903 9.212 -2.359 493 HB3 LEU 71 2HB LEU 71 -2.855 8.812 -4.075 494 HG LEU 71 HG LEU 71 -3.320 6.631 -2.092 495 HD11 LEU 71 1HD1 LEU 71 -4.828 8.732 -1.703 496 HD12 LEU 71 2HD1 LEU 71 -5.536 7.118 -1.740 497 HD13 LEU 71 3HD1 LEU 71 -5.646 8.161 -3.158 498 HD21 LEU 71 1HD2 LEU 71 -3.279 6.887 -4.893 499 HD22 LEU 71 2HD2 LEU 71 -4.962 6.625 -4.436 500 HD23 LEU 71 3HD2 LEU 71 -3.723 5.471 -3.939 501 H LYS 72 H LYS 72 -0.249 10.163 -1.960 502 HA LYS 72 HA LYS 72 0.460 11.476 -4.391 503 HB2 LYS 72 1HB LYS 72 -0.102 12.479 -2.050 504 HB3 LYS 72 2HB LYS 72 1.605 12.219 -1.720 505 HG2 LYS 72 1HG LYS 72 2.219 13.647 -3.570 506 HG3 LYS 72 2HG LYS 72 0.521 13.845 -4.012 507 HD2 LYS 72 1HD LYS 72 0.069 14.992 -1.940 508 HD3 LYS 72 2HD LYS 72 1.708 14.678 -1.365 509 HE2 LYS 72 1HE LYS 72 1.712 16.910 -2.122 510 HE3 LYS 72 2HE LYS 72 2.514 15.978 -3.385 511 HZ1 LYS 72 1HZ LYS 72 0.696 16.157 -4.786 512 HZ2 LYS 72 2HZ LYS 72 0.752 17.685 -4.063 513 HZ3 LYS 72 3HZ LYS 72 -0.378 16.542 -3.536 514 H VAL 73 H VAL 73 2.541 10.421 -1.688 515 HA VAL 73 HA VAL 73 4.965 10.649 -3.034 516 HB VAL 73 HB VAL 73 4.157 8.852 -0.752 517 HG11 VAL 73 1HG1 VAL 73 6.891 9.274 -1.950 518 HG12 VAL 73 2HG1 VAL 73 6.599 8.544 -0.371 519 HG13 VAL 73 3HG1 VAL 73 5.998 7.758 -1.832 520 HG21 VAL 73 1HG2 VAL 73 5.798 10.536 0.385 521 HG22 VAL 73 2HG2 VAL 73 5.427 11.543 -1.014 522 HG23 VAL 73 3HG2 VAL 73 4.132 11.011 0.058 523 H ALA 74 H ALA 74 2.513 8.236 -3.279 524 HA ALA 74 HA ALA 74 4.233 6.232 -4.453 525 HB1 ALA 74 1HB ALA 74 1.991 5.107 -4.927 526 HB2 ALA 74 2HB ALA 74 2.443 5.335 -3.236 527 HB3 ALA 74 3HB ALA 74 1.273 6.417 -3.991 528 H GLU 75 H GLU 75 2.141 8.801 -5.540 529 HA GLU 75 HA GLU 75 2.205 7.892 -8.299 530 HB2 GLU 75 1HB GLU 75 0.153 8.910 -7.406 531 HB3 GLU 75 2HB GLU 75 1.030 10.399 -7.083 532 HG2 GLU 75 1HG GLU 75 0.949 9.287 -9.851 533 HG3 GLU 75 2HG GLU 75 -0.427 10.186 -9.216 534 H ASN 76 H ASN 76 3.956 9.987 -6.218 535 HA ASN 76 HA ASN 76 5.137 11.487 -8.420 536 HB2 ASN 76 1HB ASN 76 5.222 11.699 -5.432 537 HB3 ASN 76 2HB ASN 76 6.490 12.461 -6.389 538 HD21 ASN 76 1HD2 ASN 76 3.577 12.947 -4.966 539 HD22 ASN 76 2HD2 ASN 76 3.024 14.300 -5.886 540 H GLU 77 H GLU 77 6.426 9.662 -5.634 541 HA GLU 77 HA GLU 77 8.967 9.298 -6.909 542 HB2 GLU 77 1HB GLU 77 7.735 8.516 -4.317 543 HB3 GLU 77 2HB GLU 77 9.111 7.574 -4.873 544 HG2 GLU 77 1HG GLU 77 9.022 10.528 -4.327 545 HG3 GLU 77 2HG GLU 77 9.909 9.295 -3.434 546 H LEU 78 H LEU 78 6.813 6.794 -5.582 547 HA LEU 78 HA LEU 78 7.842 4.691 -7.078 548 HB2 LEU 78 1HB LEU 78 4.968 4.859 -6.224 549 HB3 LEU 78 2HB LEU 78 5.979 3.424 -6.382 550 HG LEU 78 HG LEU 78 6.088 5.525 -4.227 551 HD11 LEU 78 1HD1 LEU 78 5.525 2.565 -4.188 552 HD12 LEU 78 2HD1 LEU 78 4.359 3.860 -3.928 553 HD13 LEU 78 3HD1 LEU 78 5.657 3.598 -2.764 554 HD21 LEU 78 1HD2 LEU 78 8.348 5.075 -4.583 555 HD22 LEU 78 2HD2 LEU 78 8.049 3.380 -4.968 556 HD23 LEU 78 3HD2 LEU 78 7.893 3.948 -3.306 557 H GLY 79 H GLY 79 5.393 7.061 -7.890 558 HA2 GLY 79 1HA GLY 79 4.685 7.677 -10.017 559 HA3 GLY 79 2HA GLY 79 5.589 6.324 -10.679 560 H ILE 80 H ILE 80 3.817 5.082 -8.217 561 HA ILE 80 HA ILE 80 2.055 3.685 -9.937 562 HB ILE 80 HB ILE 80 1.882 3.962 -6.934 563 HG12 ILE 80 1HG1 ILE 80 4.083 3.121 -7.779 564 HG13 ILE 80 2HG1 ILE 80 3.208 1.954 -6.794 565 HG21 ILE 80 1HG2 ILE 80 0.892 1.545 -7.404 566 HG22 ILE 80 2HG2 ILE 80 -0.115 2.990 -7.426 567 HG23 ILE 80 3HG2 ILE 80 0.467 2.299 -8.940 568 HD11 ILE 80 1HD1 ILE 80 4.082 0.740 -8.595 569 HD12 ILE 80 2HD1 ILE 80 2.373 0.967 -8.972 570 HD13 ILE 80 3HD1 ILE 80 3.592 1.965 -9.766 571 H THR 81 H THR 81 0.859 5.247 -11.069 572 HA THR 81 HA THR 81 -0.532 7.404 -10.176 573 HB THR 81 HB THR 81 -1.551 5.382 -12.183 574 HG1 THR 81 1HG THR 81 -0.639 7.210 -13.577 575 HG21 THR 81 1HG2 THR 81 -2.225 8.304 -12.152 576 HG22 THR 81 2HG2 THR 81 -3.165 7.155 -11.199 577 HG23 THR 81 3HG2 THR 81 -3.067 6.976 -12.950 578 HA PRO 82 HA PRO 82 -3.487 5.932 -7.249 579 HB2 PRO 82 1HB PRO 82 -5.142 8.084 -7.254 580 HB3 PRO 82 2HB PRO 82 -3.557 8.092 -6.472 581 HG2 PRO 82 1HG PRO 82 -4.353 9.168 -9.149 582 HG3 PRO 82 2HG PRO 82 -3.304 9.895 -7.918 583 HD2 PRO 82 1HD PRO 82 -2.326 8.632 -10.104 584 HD3 PRO 82 2HD PRO 82 -1.482 8.629 -8.542 585 H VAL 83 H VAL 83 -4.410 4.206 -8.414 586 HA VAL 83 HA VAL 83 -6.314 4.577 -10.494 587 HB VAL 83 HB VAL 83 -4.911 2.465 -9.890 588 HG11 VAL 83 1HG1 VAL 83 -7.346 1.448 -8.567 589 HG12 VAL 83 2HG1 VAL 83 -5.650 1.038 -8.299 590 HG13 VAL 83 3HG1 VAL 83 -6.323 2.513 -7.604 591 HG21 VAL 83 1HG2 VAL 83 -6.040 1.705 -11.643 592 HG22 VAL 83 2HG2 VAL 83 -7.410 1.315 -10.605 593 HG23 VAL 83 3HG2 VAL 83 -7.299 2.906 -11.357 594 H VAL 84 H VAL 84 -6.498 4.558 -7.040 595 HA VAL 84 HA VAL 84 -9.438 4.710 -7.212 596 HB VAL 84 HB VAL 84 -7.731 3.542 -5.017 597 HG11 VAL 84 1HG1 VAL 84 -9.818 3.192 -3.771 598 HG12 VAL 84 2HG1 VAL 84 -9.472 4.907 -4.005 599 HG13 VAL 84 3HG1 VAL 84 -10.694 4.111 -4.996 600 HG21 VAL 84 1HG2 VAL 84 -8.077 1.858 -6.562 601 HG22 VAL 84 2HG2 VAL 84 -9.435 1.629 -5.462 602 HG23 VAL 84 3HG2 VAL 84 -9.679 2.449 -7.005 603 H SER 85 H SER 85 -10.484 6.112 -5.684 604 HA SER 85 HA SER 85 -8.987 8.545 -5.257 605 HB2 SER 85 1HB SER 85 -11.874 7.762 -4.938 606 HB3 SER 85 2HB SER 85 -11.277 9.290 -4.290 607 HG SER 85 HG SER 85 -11.514 8.447 -6.952 608 H ALA 86 H ALA 86 -8.137 9.245 -3.400 609 HA ALA 86 HA ALA 86 -7.488 7.749 -1.264 610 HB1 ALA 86 1HB ALA 86 -7.584 10.549 -1.815 611 HB2 ALA 86 2HB ALA 86 -8.078 10.268 -0.145 612 HB3 ALA 86 3HB ALA 86 -6.521 9.668 -0.718 613 H GLN 87 H GLN 87 -10.507 9.590 -1.576 614 HA GLN 87 HA GLN 87 -11.539 8.938 0.965 615 HB2 GLN 87 1HB GLN 87 -12.436 10.793 -0.315 616 HB3 GLN 87 2HB GLN 87 -12.959 9.701 -1.591 617 HG2 GLN 87 1HG GLN 87 -14.463 8.608 0.080 618 HG3 GLN 87 2HG GLN 87 -14.041 9.897 1.207 619 HE21 GLN 87 1HE2 GLN 87 -16.245 10.493 1.266 620 HE22 GLN 87 2HE2 GLN 87 -16.956 11.406 -0.017 621 H ALA 88 H ALA 88 -12.043 7.469 -2.228 622 HA ALA 88 HA ALA 88 -13.903 5.533 -1.523 623 HB1 ALA 88 1HB ALA 88 -13.238 4.345 -3.508 624 HB2 ALA 88 2HB ALA 88 -13.214 6.078 -3.838 625 HB3 ALA 88 3HB ALA 88 -11.703 5.213 -3.558 626 H VAL 89 H VAL 89 -10.357 5.355 -1.447 627 HA VAL 89 HA VAL 89 -10.073 2.696 -0.690 628 HB VAL 89 HB VAL 89 -8.348 5.048 0.099 629 HG11 VAL 89 1HG1 VAL 89 -8.049 2.109 0.476 630 HG12 VAL 89 2HG1 VAL 89 -6.613 3.077 0.136 631 HG13 VAL 89 3HG1 VAL 89 -7.604 3.435 1.550 632 HG21 VAL 89 1HG2 VAL 89 -6.918 4.198 -1.780 633 HG22 VAL 89 2HG2 VAL 89 -8.255 3.142 -2.233 634 HG23 VAL 89 3HG2 VAL 89 -8.461 4.893 -2.277 635 H VAL 90 H VAL 90 -10.209 5.567 1.422 636 HA VAL 90 HA VAL 90 -10.316 3.989 3.813 637 HB VAL 90 HB VAL 90 -10.916 6.926 3.436 638 HG11 VAL 90 1HG1 VAL 90 -11.532 5.394 5.599 639 HG12 VAL 90 2HG1 VAL 90 -9.915 5.964 6.019 640 HG13 VAL 90 3HG1 VAL 90 -11.193 7.124 5.654 641 HG21 VAL 90 1HG2 VAL 90 -8.548 7.014 4.545 642 HG22 VAL 90 2HG2 VAL 90 -8.385 5.400 3.855 643 HG23 VAL 90 3HG2 VAL 90 -8.705 6.780 2.804 644 H ALA 91 H ALA 91 -12.658 6.331 2.482 645 HA ALA 91 HA ALA 91 -14.832 5.911 3.984 646 HB1 ALA 91 1HB ALA 91 -15.165 5.884 1.005 647 HB2 ALA 91 2HB ALA 91 -16.173 6.658 2.229 648 HB3 ALA 91 3HB ALA 91 -14.581 7.317 1.851 649 H GLY 92 H GLY 92 -13.601 3.666 1.568 650 HA2 GLY 92 1HA GLY 92 -13.930 1.369 1.473 651 HA3 GLY 92 2HA GLY 92 -15.079 1.508 2.794 652 H SER 93 H SER 93 -15.024 3.048 -0.409 653 HA SER 93 HA SER 93 -17.752 2.052 -0.833 654 HB2 SER 93 1HB SER 93 -17.458 4.489 -0.974 655 HB3 SER 93 2HB SER 93 -16.254 4.274 -2.246 656 HG SER 93 HG SER 93 -18.024 4.546 -3.414 657 H ASP 94 H ASP 94 -14.607 2.336 -2.436 658 HA ASP 94 HA ASP 94 -15.503 0.346 -4.413 659 HB2 ASP 94 1HB ASP 94 -13.134 2.209 -4.643 660 HB3 ASP 94 2HB ASP 94 -13.812 1.190 -5.910 661 HA PRO 95 HA PRO 95 -12.633 -2.030 -1.745 662 HB2 PRO 95 1HB PRO 95 -13.896 -4.400 -2.146 663 HB3 PRO 95 2HB PRO 95 -14.416 -3.228 -0.929 664 HG2 PRO 95 1HG PRO 95 -15.509 -3.721 -3.671 665 HG3 PRO 95 2HG PRO 95 -16.381 -3.439 -2.154 666 HD2 PRO 95 1HD PRO 95 -16.011 -1.496 -4.004 667 HD3 PRO 95 2HD PRO 95 -16.089 -1.155 -2.263 668 H LEU 96 H LEU 96 -13.790 -2.539 -5.016 669 HA LEU 96 HA LEU 96 -11.822 -4.498 -5.707 670 HB2 LEU 96 1HB LEU 96 -13.738 -2.813 -7.285 671 HB3 LEU 96 2HB LEU 96 -12.548 -3.843 -8.078 672 HG LEU 96 HG LEU 96 -13.659 -5.685 -6.526 673 HD11 LEU 96 1HD1 LEU 96 -16.110 -4.118 -7.124 674 HD12 LEU 96 2HD1 LEU 96 -15.184 -3.706 -5.681 675 HD13 LEU 96 3HD1 LEU 96 -15.819 -5.338 -5.885 676 HD21 LEU 96 1HD2 LEU 96 -14.357 -4.639 -9.213 677 HD22 LEU 96 2HD2 LEU 96 -15.417 -5.857 -8.505 678 HD23 LEU 96 3HD2 LEU 96 -13.704 -6.207 -8.741 679 H GLY 97 H GLY 97 -12.188 -1.013 -6.308 680 HA2 GLY 97 1HA GLY 97 -10.006 -0.542 -7.916 681 HA3 GLY 97 2HA GLY 97 -10.602 0.599 -6.720 682 H LEU 98 H LEU 98 -10.018 -0.558 -4.353 683 HA LEU 98 HA LEU 98 -7.395 0.086 -3.873 684 HB2 LEU 98 1HB LEU 98 -8.916 -0.152 -2.060 685 HB3 LEU 98 2HB LEU 98 -9.203 -1.848 -2.444 686 HG LEU 98 HG LEU 98 -6.905 -2.379 -1.749 687 HD11 LEU 98 1HD1 LEU 98 -6.732 0.467 -0.786 688 HD12 LEU 98 2HD1 LEU 98 -5.993 -0.105 -2.282 689 HD13 LEU 98 3HD1 LEU 98 -5.479 -0.773 -0.733 690 HD21 LEU 98 1HD2 LEU 98 -8.910 -2.334 -0.178 691 HD22 LEU 98 2HD2 LEU 98 -8.250 -0.820 0.440 692 HD23 LEU 98 3HD2 LEU 98 -7.309 -2.308 0.562 693 H ILE 99 H ILE 99 -8.689 -3.203 -4.332 694 HA ILE 99 HA ILE 99 -6.354 -4.646 -4.129 695 HB ILE 99 HB ILE 99 -8.611 -5.174 -6.066 696 HG12 ILE 99 1HG1 ILE 99 -8.221 -6.365 -3.323 697 HG13 ILE 99 2HG1 ILE 99 -9.173 -4.908 -3.588 698 HG21 ILE 99 1HG2 ILE 99 -6.272 -6.395 -6.198 699 HG22 ILE 99 2HG2 ILE 99 -6.957 -7.333 -4.873 700 HG23 ILE 99 3HG2 ILE 99 -7.785 -7.270 -6.429 701 HD11 ILE 99 1HD1 ILE 99 -9.733 -7.712 -4.436 702 HD12 ILE 99 2HD1 ILE 99 -10.769 -6.567 -3.583 703 HD13 ILE 99 3HD1 ILE 99 -10.452 -6.356 -5.305 704 H ALA 100 H ALA 100 -7.756 -3.351 -7.145 705 HA ALA 100 HA ALA 100 -5.675 -4.089 -8.847 706 HB1 ALA 100 1HB ALA 100 -7.815 -2.017 -8.957 707 HB2 ALA 100 2HB ALA 100 -6.534 -1.996 -10.169 708 HB3 ALA 100 3HB ALA 100 -7.553 -3.424 -9.987 709 H TYR 101 H TYR 101 -6.014 -1.326 -6.717 710 HA TYR 101 HA TYR 101 -3.900 0.225 -7.771 711 HB2 TYR 101 1HB TYR 101 -5.650 1.123 -6.268 712 HB3 TYR 101 2HB TYR 101 -4.973 0.184 -4.942 713 HD1 TYR 101 1HD TYR 101 -3.399 2.318 -7.578 714 HD2 TYR 101 2HD TYR 101 -3.992 1.620 -3.423 715 HE1 TYR 101 1HE TYR 101 -1.870 4.172 -7.055 716 HE2 TYR 101 2HE TYR 101 -2.466 3.473 -2.889 717 HH TYR 101 HH TYR 101 -0.970 5.420 -5.454 718 H LEU 102 H LEU 102 -4.020 -1.932 -4.936 719 HA LEU 102 HA LEU 102 -1.345 -1.727 -4.197 720 HB2 LEU 102 1HB LEU 102 -3.169 -4.115 -3.949 721 HB3 LEU 102 2HB LEU 102 -1.664 -3.880 -3.065 722 HG LEU 102 HG LEU 102 -4.080 -2.092 -2.811 723 HD11 LEU 102 1HD1 LEU 102 -4.260 -3.227 -0.555 724 HD12 LEU 102 2HD1 LEU 102 -3.191 -4.470 -1.203 725 HD13 LEU 102 3HD1 LEU 102 -4.760 -4.178 -1.954 726 HD21 LEU 102 1HD2 LEU 102 -1.487 -2.299 -1.293 727 HD22 LEU 102 2HD2 LEU 102 -2.888 -1.391 -0.725 728 HD23 LEU 102 3HD2 LEU 102 -2.083 -0.925 -2.225 729 H SER 103 H SER 103 -2.903 -3.929 -6.489 730 HA SER 103 HA SER 103 -0.826 -5.646 -7.049 731 HB2 SER 103 1HB SER 103 -2.007 -6.270 -8.938 732 HB3 SER 103 2HB SER 103 -3.277 -5.470 -8.013 733 HG SER 103 HG SER 103 -3.286 -3.848 -9.395 734 H HIS 104 H HIS 104 -1.401 -2.409 -8.347 735 HA HIS 104 HA HIS 104 0.569 -2.327 -10.299 736 HB2 HIS 104 1HB HIS 104 -0.574 -0.181 -8.518 737 HB3 HIS 104 2HB HIS 104 0.624 0.180 -9.759 738 HD1 HIS 104 1HD HIS 104 -0.951 1.550 -11.219 739 HD2 HIS 104 2HD HIS 104 -2.324 -2.300 -10.474 740 HE1 HIS 104 1HE HIS 104 -2.892 1.213 -12.782 741 HE2 HIS 104 2HE HIS 104 -3.759 -1.091 -12.253 742 H PHE 105 H PHE 105 0.827 -1.821 -6.820 743 HA PHE 105 HA PHE 105 3.493 -0.901 -6.793 744 HB2 PHE 105 1HB PHE 105 1.706 -2.162 -4.733 745 HB3 PHE 105 2HB PHE 105 3.395 -1.824 -4.369 746 HD1 PHE 105 1HD PHE 105 0.414 -0.113 -5.820 747 HD2 PHE 105 2HD PHE 105 3.895 0.187 -3.389 748 HE1 PHE 105 1HE PHE 105 -0.176 2.211 -5.268 749 HE2 PHE 105 2HE PHE 105 3.310 2.511 -2.832 750 HZ PHE 105 HZ PHE 105 1.271 3.526 -3.771 751 H HIS 106 H HIS 106 2.316 -4.093 -5.720 752 HA HIS 106 HA HIS 106 4.743 -5.378 -5.571 753 HB2 HIS 106 1HB HIS 106 2.618 -6.349 -4.786 754 HB3 HIS 106 2HB HIS 106 2.115 -6.589 -6.457 755 HD1 HIS 106 1HD HIS 106 2.058 -9.098 -6.529 756 HD2 HIS 106 2HD HIS 106 5.652 -7.622 -5.056 757 HE1 HIS 106 1HE HIS 106 3.580 -11.091 -6.347 758 HE2 HIS 106 2HE HIS 106 5.720 -10.188 -5.373 759 H SER 107 H SER 107 2.504 -5.618 -8.342 760 HA SER 107 HA SER 107 3.898 -7.039 -10.126 761 HB2 SER 107 1HB SER 107 2.331 -4.504 -10.578 762 HB3 SER 107 2HB SER 107 3.015 -5.420 -11.920 763 HG SER 107 HG SER 107 0.835 -5.964 -10.355 764 H ALA 108 H ALA 108 4.728 -3.828 -9.040 765 HA ALA 108 HA ALA 108 6.881 -3.592 -10.992 766 HB1 ALA 108 1HB ALA 108 6.003 -1.693 -8.818 767 HB2 ALA 108 2HB ALA 108 7.217 -1.359 -10.054 768 HB3 ALA 108 3HB ALA 108 5.533 -1.615 -10.517 769 H PHE 109 H PHE 109 6.460 -3.775 -7.470 770 HA PHE 109 HA PHE 109 9.345 -4.185 -7.166 771 HB2 PHE 109 1HB PHE 109 7.155 -3.500 -5.210 772 HB3 PHE 109 2HB PHE 109 8.760 -3.992 -4.682 773 HD1 PHE 109 2HD PHE 109 10.721 -2.588 -5.212 774 HD2 PHE 109 1HD PHE 109 6.746 -1.327 -6.067 775 HE1 PHE 109 2HE PHE 109 11.511 -0.270 -5.446 776 HE2 PHE 109 1HE PHE 109 7.530 0.994 -6.304 777 HZ PHE 109 HZ PHE 109 9.914 1.525 -5.992 778 H LYS 110 H LYS 110 7.739 -6.249 -8.322 779 HA LYS 110 HA LYS 110 6.948 -8.235 -6.520 780 HB2 LYS 110 1HB LYS 110 7.715 -8.164 -9.393 781 HB3 LYS 110 2HB LYS 110 7.691 -9.736 -8.606 782 HG2 LYS 110 1HG LYS 110 5.329 -8.994 -7.804 783 HG3 LYS 110 2HG LYS 110 5.441 -7.856 -9.149 784 HD2 LYS 110 1HD LYS 110 5.375 -9.506 -10.728 785 HD3 LYS 110 2HD LYS 110 6.136 -10.698 -9.671 786 HE2 LYS 110 1HE LYS 110 3.882 -11.379 -9.973 787 HE3 LYS 110 2HE LYS 110 4.007 -10.726 -8.340 788 HZ1 LYS 110 1HZ LYS 110 2.046 -9.852 -9.277 789 HZ2 LYS 110 2HZ LYS 110 2.816 -9.429 -10.722 790 HZ3 LYS 110 3HZ LYS 110 3.165 -8.584 -9.299 791 H SER 111 H SER 111 8.106 -9.309 -5.077 792 HA SER 111 HA SER 111 10.516 -10.650 -5.695 793 HB2 SER 111 1HB SER 111 12.059 -9.404 -4.234 794 HB3 SER 111 2HB SER 111 11.479 -8.396 -5.561 795 HG SER 111 HG SER 111 11.111 -7.100 -3.907 796 H GLY 112 H GLY 112 11.413 -11.800 -3.818 797 HA2 GLY 112 1HA GLY 112 10.428 -11.787 -1.244 798 HA3 GLY 112 2HA GLY 112 9.316 -12.798 -2.156 799 HA PRO 113 HA PRO 113 13.017 -15.272 -0.624 800 HB2 PRO 113 1HB PRO 113 11.616 -16.974 0.960 801 HB3 PRO 113 2HB PRO 113 12.269 -15.439 1.542 802 HG2 PRO 113 1HG PRO 113 9.484 -16.101 0.668 803 HG3 PRO 113 2HG PRO 113 10.022 -15.145 2.061 804 HD2 PRO 113 1HD PRO 113 9.138 -14.009 -0.233 805 HD3 PRO 113 2HD PRO 113 10.384 -13.259 0.785 806 H SER 114 H SER 114 9.882 -15.930 -1.962 807 HA SER 114 HA SER 114 10.762 -18.562 -2.914 808 HB2 SER 114 1HB SER 114 8.394 -18.928 -3.505 809 HB3 SER 114 2HB SER 114 8.579 -18.509 -1.801 810 HG SER 114 HG SER 114 8.068 -16.313 -2.453 811 H SER 115 H SER 115 11.795 -18.503 -4.795 812 HA SER 115 HA SER 115 11.040 -16.495 -6.792 813 HB2 SER 115 1HB SER 115 13.160 -17.056 -7.891 814 HB3 SER 115 2HB SER 115 13.428 -16.651 -6.196 815 HG SER 115 HG SER 115 13.694 -18.800 -5.732 816 H GLY 116 H GLY 116 11.019 -17.197 -9.091 817 HA2 GLY 116 1HA GLY 116 9.994 -18.434 -10.735 818 HA3 GLY 116 2HA GLY 116 10.807 -19.802 -9.989 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.793 -28.417 2.838 2 HA2 GLY 1 1HA GLY 1 5.585 -26.545 1.353 3 HA3 GLY 1 2HA GLY 1 5.944 -27.620 0.009 4 H SER 2 H SER 2 4.299 -28.468 -1.118 5 HA SER 2 HA SER 2 2.176 -28.852 -1.842 6 HB2 SER 2 1HB SER 2 1.897 -29.285 1.119 7 HB3 SER 2 2HB SER 2 0.488 -29.384 0.064 8 HG SER 2 HG SER 2 1.927 -30.885 -1.201 9 H SER 3 H SER 3 2.913 -26.192 -1.709 10 HA SER 3 HA SER 3 0.311 -24.933 -1.241 11 HB2 SER 3 1HB SER 3 1.240 -23.060 -0.085 12 HB3 SER 3 2HB SER 3 1.870 -24.500 0.713 13 HG SER 3 HG SER 3 3.300 -22.570 -0.126 14 H GLY 4 H GLY 4 -0.330 -24.026 -3.074 15 HA2 GLY 4 1HA GLY 4 1.032 -22.104 -4.521 16 HA3 GLY 4 2HA GLY 4 1.423 -23.637 -5.284 17 H SER 5 H SER 5 -1.096 -21.323 -4.603 18 HA SER 5 HA SER 5 -2.964 -22.814 -6.306 19 HB2 SER 5 1HB SER 5 -3.407 -20.492 -4.417 20 HB3 SER 5 2HB SER 5 -4.663 -21.185 -5.442 21 HG SER 5 HG SER 5 -3.941 -21.992 -3.057 22 H SER 6 H SER 6 -3.694 -22.030 -8.218 23 HA SER 6 HA SER 6 -2.253 -19.756 -9.328 24 HB2 SER 6 1HB SER 6 -3.094 -20.510 -11.486 25 HB3 SER 6 2HB SER 6 -2.412 -21.879 -10.608 26 HG SER 6 HG SER 6 -4.821 -21.989 -9.877 27 H GLY 7 H GLY 7 -3.175 -17.873 -10.023 28 HA2 GLY 7 1HA GLY 7 -4.730 -16.193 -10.208 29 HA3 GLY 7 2HA GLY 7 -5.946 -17.452 -10.367 30 H THR 8 H THR 8 -4.144 -15.482 -8.076 31 HA THR 8 HA THR 8 -6.399 -15.253 -6.349 32 HB THR 8 HB THR 8 -5.696 -17.476 -5.624 33 HG1 THR 8 1HG THR 8 -4.952 -16.594 -3.354 34 HG21 THR 8 1HG2 THR 8 -3.059 -16.205 -4.884 35 HG22 THR 8 2HG2 THR 8 -3.308 -17.252 -6.281 36 HG23 THR 8 3HG2 THR 8 -3.525 -17.890 -4.652 37 H GLN 9 H GLN 9 -6.055 -13.751 -4.624 38 HA GLN 9 HA GLN 9 -3.931 -11.864 -5.221 39 HB2 GLN 9 1HB GLN 9 -6.332 -11.741 -3.399 40 HB3 GLN 9 2HB GLN 9 -5.133 -10.458 -3.492 41 HG2 GLN 9 1HG GLN 9 -6.983 -9.860 -4.867 42 HG3 GLN 9 2HG GLN 9 -5.619 -10.251 -5.915 43 HE21 GLN 9 1HE2 GLN 9 -8.671 -11.415 -4.640 44 HE22 GLN 9 2HE2 GLN 9 -8.981 -12.554 -5.903 45 H GLU 10 H GLU 10 -3.472 -14.501 -3.844 46 HA GLU 10 HA GLU 10 -2.855 -14.036 -1.130 47 HB2 GLU 10 1HB GLU 10 -3.101 -16.292 -1.947 48 HB3 GLU 10 2HB GLU 10 -1.785 -16.069 -3.091 49 HG2 GLU 10 1HG GLU 10 -0.768 -17.265 -1.417 50 HG3 GLU 10 2HG GLU 10 -0.360 -15.607 -0.979 51 H GLU 11 H GLU 11 -0.674 -14.274 -3.945 52 HA GLU 11 HA GLU 11 1.697 -13.607 -2.739 53 HB2 GLU 11 1HB GLU 11 0.711 -12.847 -5.492 54 HB3 GLU 11 2HB GLU 11 2.378 -12.667 -4.963 55 HG2 GLU 11 1HG GLU 11 0.821 -15.172 -5.454 56 HG3 GLU 11 2HG GLU 11 2.366 -14.670 -6.138 57 H LEU 12 H LEU 12 -0.768 -11.392 -3.999 58 HA LEU 12 HA LEU 12 0.613 -8.999 -3.512 59 HB2 LEU 12 1HB LEU 12 -1.365 -9.136 -4.930 60 HB3 LEU 12 2HB LEU 12 -2.356 -9.524 -3.525 61 HG LEU 12 HG LEU 12 -1.882 -7.282 -2.609 62 HD11 LEU 12 1HD1 LEU 12 0.279 -6.922 -3.705 63 HD12 LEU 12 2HD1 LEU 12 -0.840 -5.593 -4.007 64 HD13 LEU 12 3HD1 LEU 12 -0.539 -6.793 -5.263 65 HD21 LEU 12 1HD2 LEU 12 -3.298 -7.779 -5.149 66 HD22 LEU 12 2HD2 LEU 12 -3.012 -6.089 -4.733 67 HD23 LEU 12 3HD2 LEU 12 -3.896 -7.136 -3.620 68 H LEU 13 H LEU 13 -1.841 -10.661 -1.535 69 HA LEU 13 HA LEU 13 -1.839 -8.890 0.618 70 HB2 LEU 13 1HB LEU 13 -3.558 -10.512 0.463 71 HB3 LEU 13 2HB LEU 13 -2.399 -11.838 0.449 72 HG LEU 13 HG LEU 13 -1.846 -11.318 2.810 73 HD11 LEU 13 1HD1 LEU 13 -2.572 -8.923 2.666 74 HD12 LEU 13 2HD1 LEU 13 -3.152 -9.796 4.085 75 HD13 LEU 13 3HD1 LEU 13 -4.240 -9.495 2.730 76 HD21 LEU 13 1HD2 LEU 13 -4.102 -12.608 1.762 77 HD22 LEU 13 2HD2 LEU 13 -4.673 -11.691 3.156 78 HD23 LEU 13 3HD2 LEU 13 -3.358 -12.853 3.343 79 H ARG 14 H ARG 14 -0.179 -12.048 0.477 80 HA ARG 14 HA ARG 14 1.303 -11.791 2.798 81 HB2 ARG 14 1HB ARG 14 1.664 -13.337 0.270 82 HB3 ARG 14 2HB ARG 14 2.992 -13.290 1.422 83 HG2 ARG 14 1HG ARG 14 1.612 -14.251 3.136 84 HG3 ARG 14 2HG ARG 14 0.190 -14.160 2.093 85 HD2 ARG 14 1HD ARG 14 0.938 -16.405 2.012 86 HD3 ARG 14 2HD ARG 14 1.419 -15.663 0.486 87 HE ARG 14 HE ARG 14 3.449 -15.591 2.529 88 HH11 ARG 14 2HH1 ARG 14 2.061 -17.415 -0.091 89 HH12 ARG 14 1HH1 ARG 14 3.502 -18.330 -0.389 90 HH21 ARG 14 2HH2 ARG 14 5.351 -16.790 2.147 91 HH22 ARG 14 1HH2 ARG 14 5.372 -17.975 0.885 92 H TRP 15 H TRP 15 2.324 -10.986 -0.519 93 HA TRP 15 HA TRP 15 4.863 -10.033 0.064 94 HB2 TRP 15 1HB TRP 15 4.178 -10.395 -2.222 95 HB3 TRP 15 2HB TRP 15 2.922 -9.167 -2.087 96 HD1 TRP 15 HD TRP 15 6.748 -9.506 -2.322 97 HE1 TRP 15 1HE TRP 15 7.711 -7.266 -3.146 98 HE3 TRP 15 3HE TRP 15 2.471 -6.707 -2.244 99 HZ2 TRP 15 2HZ TRP 15 6.780 -4.658 -3.690 100 HZ3 TRP 15 3HZ TRP 15 2.593 -4.348 -2.930 101 HH2 TRP 15 HH TRP 15 4.704 -3.346 -3.638 102 H CYS 16 H CYS 16 1.757 -8.344 0.137 103 HA CYS 16 HA CYS 16 2.831 -5.776 0.679 104 HB2 CYS 16 1HB CYS 16 0.089 -6.971 1.081 105 HB3 CYS 16 2HB CYS 16 0.460 -5.296 1.476 106 HG CYS 16 HG CYS 16 -0.133 -6.700 -1.486 107 H GLN 17 H GLN 17 1.624 -8.385 2.737 108 HA GLN 17 HA GLN 17 1.582 -7.124 5.188 109 HB2 GLN 17 1HB GLN 17 2.140 -9.939 4.343 110 HB3 GLN 17 2HB GLN 17 2.354 -9.490 6.030 111 HG2 GLN 17 1HG GLN 17 0.034 -8.744 6.131 112 HG3 GLN 17 2HG GLN 17 -0.182 -9.181 4.438 113 HE21 GLN 17 1HE2 GLN 17 -1.738 -10.191 6.532 114 HE22 GLN 17 2HE2 GLN 17 -1.447 -11.890 6.658 115 H GLU 18 H GLU 18 4.339 -8.833 3.712 116 HA GLU 18 HA GLU 18 6.200 -8.347 5.723 117 HB2 GLU 18 1HB GLU 18 6.408 -8.895 2.790 118 HB3 GLU 18 2HB GLU 18 7.855 -8.438 3.678 119 HG2 GLU 18 1HG GLU 18 6.131 -10.635 4.718 120 HG3 GLU 18 2HG GLU 18 7.224 -10.946 3.370 121 H GLN 19 H GLN 19 5.527 -6.444 2.793 122 HA GLN 19 HA GLN 19 7.420 -4.416 3.347 123 HB2 GLN 19 1HB GLN 19 4.912 -4.247 1.667 124 HB3 GLN 19 2HB GLN 19 6.271 -3.132 1.612 125 HG2 GLN 19 1HG GLN 19 6.104 -5.952 0.642 126 HG3 GLN 19 2HG GLN 19 6.620 -4.502 -0.217 127 HE21 GLN 19 1HE2 GLN 19 7.863 -7.202 0.402 128 HE22 GLN 19 2HE2 GLN 19 9.434 -6.808 1.000 129 H THR 20 H THR 20 4.249 -5.047 4.529 130 HA THR 20 HA THR 20 4.130 -2.367 5.744 131 HB THR 20 HB THR 20 1.701 -2.866 6.123 132 HG1 THR 20 1HG THR 20 2.247 -5.267 5.661 133 HG21 THR 20 1HG2 THR 20 1.057 -2.137 4.012 134 HG22 THR 20 2HG2 THR 20 2.284 -3.104 3.194 135 HG23 THR 20 3HG2 THR 20 2.751 -1.653 4.080 136 H ALA 21 H ALA 21 5.629 -4.784 6.673 137 HA ALA 21 HA ALA 21 4.233 -5.375 9.182 138 HB1 ALA 21 1HB ALA 21 5.689 -7.228 9.444 139 HB2 ALA 21 2HB ALA 21 5.170 -7.227 7.758 140 HB3 ALA 21 3HB ALA 21 6.776 -6.638 8.186 141 H GLY 22 H GLY 22 7.257 -4.037 7.931 142 HA2 GLY 22 1HA GLY 22 8.357 -3.551 10.541 143 HA3 GLY 22 2HA GLY 22 9.002 -2.972 9.012 144 H TYR 23 H TYR 23 5.876 -2.452 10.634 145 HA TYR 23 HA TYR 23 6.517 0.369 10.982 146 HB2 TYR 23 1HB TYR 23 5.455 0.009 8.686 147 HB3 TYR 23 2HB TYR 23 3.980 -0.410 9.550 148 HD1 TYR 23 2HD TYR 23 3.567 1.443 11.584 149 HD2 TYR 23 1HD TYR 23 5.426 2.137 7.820 150 HE1 TYR 23 2HE TYR 23 2.977 3.825 11.738 151 HE2 TYR 23 1HE TYR 23 4.842 4.522 7.965 152 HH TYR 23 HH TYR 23 4.255 6.128 10.383 153 HA PRO 24 HA PRO 24 4.321 -0.491 14.729 154 HB2 PRO 24 1HB PRO 24 4.249 2.056 15.662 155 HB3 PRO 24 2HB PRO 24 5.707 1.060 15.703 156 HG2 PRO 24 1HG PRO 24 4.921 3.185 13.748 157 HG3 PRO 24 2HG PRO 24 6.498 2.885 14.499 158 HD2 PRO 24 1HD PRO 24 5.913 2.096 11.977 159 HD3 PRO 24 2HD PRO 24 7.016 1.187 13.030 160 H GLY 25 H GLY 25 2.208 -0.946 14.681 161 HA2 GLY 25 1HA GLY 25 -0.035 -0.170 15.033 162 HA3 GLY 25 2HA GLY 25 0.337 1.236 14.048 163 H VAL 26 H VAL 26 1.429 0.125 11.805 164 HA VAL 26 HA VAL 26 -0.815 -0.617 10.318 165 HB VAL 26 HB VAL 26 2.096 -1.099 9.667 166 HG11 VAL 26 1HG1 VAL 26 1.208 -2.349 8.021 167 HG12 VAL 26 2HG1 VAL 26 -0.395 -1.632 8.198 168 HG13 VAL 26 3HG1 VAL 26 0.855 -0.787 7.284 169 HG21 VAL 26 1HG2 VAL 26 2.272 1.058 9.130 170 HG22 VAL 26 2HG2 VAL 26 0.739 1.044 8.259 171 HG23 VAL 26 3HG2 VAL 26 0.759 1.300 10.003 172 H HIS 27 H HIS 27 -1.966 -2.405 10.678 173 HA HIS 27 HA HIS 27 -0.514 -4.955 10.947 174 HB2 HIS 27 1HB HIS 27 -2.521 -5.759 12.231 175 HB3 HIS 27 2HB HIS 27 -1.587 -4.507 13.043 176 HD1 HIS 27 1HD HIS 27 -2.690 -2.164 13.267 177 HD2 HIS 27 2HD HIS 27 -5.122 -5.051 11.531 178 HE1 HIS 27 1HE HIS 27 -5.008 -1.190 13.286 179 HE2 HIS 27 2HE HIS 27 -6.476 -2.989 12.309 180 H VAL 28 H VAL 28 -0.659 -4.788 8.528 181 HA VAL 28 HA VAL 28 -3.176 -5.041 7.230 182 HB VAL 28 HB VAL 28 -0.392 -5.718 6.275 183 HG11 VAL 28 1HG1 VAL 28 -1.566 -5.503 3.988 184 HG12 VAL 28 2HG1 VAL 28 -1.739 -7.011 4.888 185 HG13 VAL 28 3HG1 VAL 28 -3.046 -5.826 4.889 186 HG21 VAL 28 1HG2 VAL 28 -0.613 -3.624 5.002 187 HG22 VAL 28 2HG2 VAL 28 -2.180 -3.341 5.761 188 HG23 VAL 28 3HG2 VAL 28 -0.714 -3.357 6.742 189 H SER 29 H SER 29 -4.454 -6.709 7.780 190 HA SER 29 HA SER 29 -3.272 -9.401 7.867 191 HB2 SER 29 1HB SER 29 -5.081 -10.075 9.271 192 HB3 SER 29 2HB SER 29 -4.521 -8.524 9.897 193 HG SER 29 HG SER 29 -6.934 -9.202 8.793 194 H ASP 30 H ASP 30 -5.494 -7.361 6.197 195 HA ASP 30 HA ASP 30 -5.863 -9.360 4.152 196 HB2 ASP 30 1HB ASP 30 -7.699 -9.581 6.049 197 HB3 ASP 30 2HB ASP 30 -8.423 -8.225 5.189 198 H LEU 31 H LEU 31 -7.705 -8.323 2.567 199 HA LEU 31 HA LEU 31 -6.785 -5.564 2.097 200 HB2 LEU 31 1HB LEU 31 -7.905 -7.435 0.028 201 HB3 LEU 31 2HB LEU 31 -7.044 -5.919 -0.233 202 HG LEU 31 HG LEU 31 -5.617 -8.167 1.108 203 HD11 LEU 31 1HD1 LEU 31 -6.404 -9.425 -0.669 204 HD12 LEU 31 2HD1 LEU 31 -4.883 -8.787 -1.292 205 HD13 LEU 31 3HD1 LEU 31 -6.411 -8.050 -1.774 206 HD21 LEU 31 1HD2 LEU 31 -4.586 -6.276 -0.975 207 HD22 LEU 31 2HD2 LEU 31 -3.704 -7.124 0.295 208 HD23 LEU 31 3HD2 LEU 31 -4.758 -5.770 0.706 209 H SER 32 H SER 32 -8.963 -6.184 3.828 210 HA SER 32 HA SER 32 -11.296 -5.320 2.262 211 HB2 SER 32 1HB SER 32 -11.235 -7.396 3.911 212 HB3 SER 32 2HB SER 32 -11.532 -6.150 5.123 213 HG SER 32 HG SER 32 -13.247 -5.519 3.421 214 H SER 33 H SER 33 -10.266 -4.830 5.636 215 HA SER 33 HA SER 33 -10.867 -1.964 5.297 216 HB2 SER 33 1HB SER 33 -11.392 -1.935 7.720 217 HB3 SER 33 2HB SER 33 -12.442 -3.032 6.825 218 HG SER 33 HG SER 33 -10.252 -3.668 8.498 219 H SER 34 H SER 34 -8.533 -4.312 6.210 220 HA SER 34 HA SER 34 -6.851 -2.988 7.930 221 HB2 SER 34 1HB SER 34 -6.440 -5.025 5.797 222 HB3 SER 34 2HB SER 34 -5.007 -4.231 6.448 223 HG SER 34 HG SER 34 -5.346 -5.137 8.361 224 H TRP 35 H TRP 35 -7.466 -2.322 4.588 225 HA TRP 35 HA TRP 35 -5.252 -0.391 4.516 226 HB2 TRP 35 1HB TRP 35 -6.942 -1.461 2.246 227 HB3 TRP 35 2HB TRP 35 -5.578 -0.360 2.083 228 HD1 TRP 35 HD TRP 35 -6.298 -3.987 3.229 229 HE1 TRP 35 1HE TRP 35 -4.189 -5.394 2.783 230 HE3 TRP 35 3HE TRP 35 -3.172 -0.278 1.612 231 HZ2 TRP 35 2HZ TRP 35 -1.550 -4.987 1.867 232 HZ3 TRP 35 3HZ TRP 35 -0.873 -0.870 0.970 233 HH2 TRP 35 HH TRP 35 -0.079 -3.176 1.096 234 H ALA 36 H ALA 36 -8.560 -0.587 5.027 235 HA ALA 36 HA ALA 36 -9.251 1.968 3.860 236 HB1 ALA 36 1HB ALA 36 -11.412 1.408 4.228 237 HB2 ALA 36 2HB ALA 36 -10.726 -0.214 4.338 238 HB3 ALA 36 3HB ALA 36 -11.075 0.697 5.807 239 H ASP 37 H ASP 37 -7.128 1.973 5.823 240 HA ASP 37 HA ASP 37 -8.388 3.648 7.897 241 HB2 ASP 37 1HB ASP 37 -6.173 1.637 8.089 242 HB3 ASP 37 2HB ASP 37 -6.209 3.002 9.203 243 H GLY 38 H GLY 38 -5.496 3.129 5.914 244 HA2 GLY 38 1HA GLY 38 -4.829 5.274 4.740 245 HA3 GLY 38 2HA GLY 38 -4.785 5.961 6.357 246 H LEU 39 H LEU 39 -3.311 4.779 7.918 247 HA LEU 39 HA LEU 39 -0.706 4.976 7.242 248 HB2 LEU 39 1HB LEU 39 -2.149 3.335 9.247 249 HB3 LEU 39 2HB LEU 39 -0.446 2.972 8.977 250 HG LEU 39 HG LEU 39 -1.454 5.716 9.705 251 HD11 LEU 39 1HD1 LEU 39 -0.989 5.285 11.968 252 HD12 LEU 39 2HD1 LEU 39 -0.206 3.748 11.600 253 HD13 LEU 39 3HD1 LEU 39 -1.952 3.911 11.419 254 HD21 LEU 39 1HD2 LEU 39 1.294 4.494 9.919 255 HD22 LEU 39 2HD2 LEU 39 0.843 6.171 10.232 256 HD23 LEU 39 3HD2 LEU 39 0.761 5.526 8.592 257 H ALA 40 H ALA 40 -2.645 2.013 6.966 258 HA ALA 40 HA ALA 40 -0.950 0.101 6.223 259 HB1 ALA 40 1HB ALA 40 -3.166 -0.520 6.067 260 HB2 ALA 40 2HB ALA 40 -3.591 0.855 5.047 261 HB3 ALA 40 3HB ALA 40 -2.679 -0.495 4.371 262 H LEU 41 H LEU 41 -2.254 2.320 3.746 263 HA LEU 41 HA LEU 41 -0.482 1.562 1.720 264 HB2 LEU 41 1HB LEU 41 -2.268 3.875 2.216 265 HB3 LEU 41 2HB LEU 41 -1.034 4.058 0.972 266 HG LEU 41 HG LEU 41 -3.032 1.805 0.984 267 HD11 LEU 41 1HD1 LEU 41 -3.214 4.387 -0.554 268 HD12 LEU 41 2HD1 LEU 41 -4.155 4.019 0.891 269 HD13 LEU 41 3HD1 LEU 41 -4.365 3.050 -0.568 270 HD21 LEU 41 1HD2 LEU 41 -0.873 2.745 -0.808 271 HD22 LEU 41 2HD2 LEU 41 -2.358 2.174 -1.571 272 HD23 LEU 41 3HD2 LEU 41 -1.457 1.110 -0.491 273 H CYS 42 H CYS 42 -0.246 4.093 4.172 274 HA CYS 42 HA CYS 42 2.006 5.428 3.241 275 HB2 CYS 42 1HB CYS 42 1.402 4.903 6.153 276 HB3 CYS 42 2HB CYS 42 2.279 6.266 5.472 277 HG CYS 42 HG CYS 42 -0.945 5.821 4.530 278 H ALA 43 H ALA 43 1.883 2.757 5.600 279 HA ALA 43 HA ALA 43 4.593 2.421 6.006 280 HB1 ALA 43 1HB ALA 43 3.602 1.005 7.419 281 HB2 ALA 43 2HB ALA 43 2.198 0.799 6.370 282 HB3 ALA 43 3HB ALA 43 3.654 -0.155 6.090 283 H LEU 44 H LEU 44 2.560 0.827 3.553 284 HA LEU 44 HA LEU 44 4.526 -0.722 2.349 285 HB2 LEU 44 1HB LEU 44 2.275 -1.118 1.772 286 HB3 LEU 44 2HB LEU 44 2.031 0.553 1.268 287 HG LEU 44 HG LEU 44 3.731 0.012 -0.594 288 HD11 LEU 44 1HD1 LEU 44 4.205 -2.249 0.628 289 HD12 LEU 44 2HD1 LEU 44 4.182 -2.175 -1.134 290 HD13 LEU 44 3HD1 LEU 44 2.782 -2.795 -0.260 291 HD21 LEU 44 1HD2 LEU 44 1.971 -0.181 -1.980 292 HD22 LEU 44 2HD2 LEU 44 1.030 0.080 -0.512 293 HD23 LEU 44 3HD2 LEU 44 1.299 -1.560 -1.107 294 H VAL 45 H VAL 45 3.462 2.567 1.498 295 HA VAL 45 HA VAL 45 5.215 2.968 -0.646 296 HB VAL 45 HB VAL 45 4.092 5.016 1.271 297 HG11 VAL 45 1HG1 VAL 45 6.121 5.412 -0.517 298 HG12 VAL 45 2HG1 VAL 45 4.696 5.841 -1.468 299 HG13 VAL 45 3HG1 VAL 45 5.017 6.659 0.063 300 HG21 VAL 45 1HG2 VAL 45 2.141 4.557 0.307 301 HG22 VAL 45 2HG2 VAL 45 2.811 5.154 -1.211 302 HG23 VAL 45 3HG2 VAL 45 2.903 3.437 -0.823 303 H TYR 46 H TYR 46 5.551 4.345 2.630 304 HA TYR 46 HA TYR 46 8.086 5.336 2.447 305 HB2 TYR 46 1HB TYR 46 6.669 4.050 4.775 306 HB3 TYR 46 2HB TYR 46 8.265 4.774 4.942 307 HD1 TYR 46 1HD TYR 46 8.439 7.245 3.980 308 HD2 TYR 46 2HD TYR 46 4.829 5.368 5.226 309 HE1 TYR 46 1HE TYR 46 7.409 9.455 4.303 310 HE2 TYR 46 2HE TYR 46 3.789 7.574 5.552 311 HH TYR 46 HH TYR 46 4.083 9.888 4.731 312 H ARG 47 H ARG 47 7.253 2.048 3.547 313 HA ARG 47 HA ARG 47 9.795 1.059 3.941 314 HB2 ARG 47 1HB ARG 47 7.793 -0.192 4.543 315 HB3 ARG 47 2HB ARG 47 7.380 -0.391 2.845 316 HG2 ARG 47 1HG ARG 47 8.322 -2.422 3.312 317 HG3 ARG 47 2HG ARG 47 9.724 -1.535 2.713 318 HD2 ARG 47 1HD ARG 47 10.185 -0.936 5.141 319 HD3 ARG 47 2HD ARG 47 8.988 -2.161 5.559 320 HE ARG 47 HE ARG 47 10.668 -3.503 3.934 321 HH11 ARG 47 2HH1 ARG 47 11.182 -1.501 6.735 322 HH12 ARG 47 1HH1 ARG 47 12.605 -2.350 7.242 323 HH21 ARG 47 2HH2 ARG 47 12.540 -4.628 4.590 324 HH22 ARG 47 1HH2 ARG 47 13.378 -4.127 6.021 325 H LEU 48 H LEU 48 7.877 0.517 0.977 326 HA LEU 48 HA LEU 48 9.678 -0.654 -0.643 327 HB2 LEU 48 1HB LEU 48 7.633 1.452 -1.209 328 HB3 LEU 48 2HB LEU 48 8.668 0.859 -2.505 329 HG LEU 48 HG LEU 48 6.929 -0.943 -0.832 330 HD11 LEU 48 1HD1 LEU 48 5.500 0.656 -1.966 331 HD12 LEU 48 2HD1 LEU 48 5.364 -0.931 -2.719 332 HD13 LEU 48 3HD1 LEU 48 6.318 0.334 -3.494 333 HD21 LEU 48 1HD2 LEU 48 7.311 -2.030 -3.337 334 HD22 LEU 48 2HD2 LEU 48 8.157 -2.494 -1.861 335 HD23 LEU 48 3HD2 LEU 48 8.877 -1.313 -2.957 336 H GLN 49 H GLN 49 9.623 2.769 0.204 337 HA GLN 49 HA GLN 49 12.331 3.008 -0.915 338 HB2 GLN 49 1HB GLN 49 10.311 4.130 -2.212 339 HB3 GLN 49 2HB GLN 49 10.517 5.376 -0.989 340 HG2 GLN 49 1HG GLN 49 12.874 5.604 -1.646 341 HG3 GLN 49 2HG GLN 49 12.620 4.399 -2.907 342 HE21 GLN 49 1HE2 GLN 49 12.670 7.641 -2.219 343 HE22 GLN 49 2HE2 GLN 49 11.810 8.230 -3.598 344 HA PRO 50 HA PRO 50 12.620 4.235 3.450 345 HB2 PRO 50 1HB PRO 50 15.270 3.679 3.643 346 HB3 PRO 50 2HB PRO 50 14.016 2.442 3.789 347 HG2 PRO 50 1HG PRO 50 15.712 3.151 1.426 348 HG3 PRO 50 2HG PRO 50 15.265 1.549 2.043 349 HD2 PRO 50 1HD PRO 50 14.026 2.693 -0.076 350 HD3 PRO 50 2HD PRO 50 13.186 1.609 1.052 351 H GLY 51 H GLY 51 14.036 5.405 0.570 352 HA2 GLY 51 1HA GLY 51 15.709 7.419 1.721 353 HA3 GLY 51 2HA GLY 51 15.194 7.329 0.043 354 H LEU 52 H LEU 52 12.404 7.385 0.458 355 HA LEU 52 HA LEU 52 11.917 10.130 0.512 356 HB2 LEU 52 1HB LEU 52 10.208 7.696 0.680 357 HB3 LEU 52 2HB LEU 52 9.482 9.265 1.017 358 HG LEU 52 HG LEU 52 11.016 8.941 -1.512 359 HD11 LEU 52 1HD1 LEU 52 8.448 7.581 -0.857 360 HD12 LEU 52 2HD1 LEU 52 9.795 7.029 -1.851 361 HD13 LEU 52 3HD1 LEU 52 8.683 8.248 -2.472 362 HD21 LEU 52 1HD2 LEU 52 8.947 10.688 -0.367 363 HD22 LEU 52 2HD2 LEU 52 8.727 10.273 -2.066 364 HD23 LEU 52 3HD2 LEU 52 10.222 11.045 -1.533 365 H LEU 53 H LEU 53 10.718 11.416 2.028 366 HA LEU 53 HA LEU 53 11.705 11.475 4.585 367 HB2 LEU 53 1HB LEU 53 9.959 13.012 5.133 368 HB3 LEU 53 2HB LEU 53 10.460 13.298 3.468 369 HG LEU 53 HG LEU 53 8.176 13.482 3.300 370 HD11 LEU 53 1HD1 LEU 53 8.908 11.837 1.694 371 HD12 LEU 53 2HD1 LEU 53 7.305 11.407 2.290 372 HD13 LEU 53 3HD1 LEU 53 8.725 10.547 2.883 373 HD21 LEU 53 1HD2 LEU 53 6.562 12.165 4.528 374 HD22 LEU 53 2HD2 LEU 53 7.729 12.870 5.646 375 HD23 LEU 53 3HD2 LEU 53 7.848 11.166 5.204 376 H GLU 54 H GLU 54 10.094 11.430 6.588 377 HA GLU 54 HA GLU 54 9.001 8.700 6.652 378 HB2 GLU 54 1HB GLU 54 10.250 10.449 8.749 379 HB3 GLU 54 2HB GLU 54 9.196 9.120 9.211 380 HG2 GLU 54 1HG GLU 54 10.648 7.541 8.082 381 HG3 GLU 54 2HG GLU 54 11.685 8.858 7.539 382 HA PRO 55 HA PRO 55 4.912 10.107 7.388 383 HB2 PRO 55 1HB PRO 55 3.996 8.268 9.164 384 HB3 PRO 55 2HB PRO 55 4.279 7.900 7.458 385 HG2 PRO 55 1HG PRO 55 6.017 7.339 9.829 386 HG3 PRO 55 2HG PRO 55 5.636 6.292 8.449 387 HD2 PRO 55 1HD PRO 55 7.961 7.668 8.636 388 HD3 PRO 55 2HD PRO 55 7.177 7.324 7.081 389 H SER 56 H SER 56 7.281 10.518 9.606 390 HA SER 56 HA SER 56 6.383 10.883 12.092 391 HB2 SER 56 1HB SER 56 8.604 11.612 11.451 392 HB3 SER 56 2HB SER 56 7.934 12.928 10.487 393 HG SER 56 HG SER 56 7.811 12.623 13.305 394 H GLU 57 H GLU 57 5.324 12.710 9.312 395 HA GLU 57 HA GLU 57 3.863 14.650 10.863 396 HB2 GLU 57 1HB GLU 57 2.852 14.972 8.399 397 HB3 GLU 57 2HB GLU 57 4.391 15.660 8.899 398 HG2 GLU 57 1HG GLU 57 5.603 13.892 7.855 399 HG3 GLU 57 2HG GLU 57 4.119 12.998 7.530 400 H LEU 58 H LEU 58 2.937 12.031 8.627 401 HA LEU 58 HA LEU 58 0.215 12.120 8.869 402 HB2 LEU 58 1HB LEU 58 2.075 9.779 8.598 403 HB3 LEU 58 2HB LEU 58 0.324 9.583 8.585 404 HG LEU 58 HG LEU 58 0.126 10.832 6.560 405 HD11 LEU 58 1HD1 LEU 58 3.091 11.347 6.725 406 HD12 LEU 58 2HD1 LEU 58 1.833 12.530 7.081 407 HD13 LEU 58 3HD1 LEU 58 1.996 11.882 5.449 408 HD21 LEU 58 1HD2 LEU 58 1.032 9.307 5.098 409 HD22 LEU 58 2HD2 LEU 58 1.092 8.400 6.610 410 HD23 LEU 58 3HD2 LEU 58 2.547 9.183 5.993 411 H GLN 59 H GLN 59 2.514 10.601 11.085 412 HA GLN 59 HA GLN 59 1.028 9.154 12.778 413 HB2 GLN 59 1HB GLN 59 2.634 9.484 14.391 414 HB3 GLN 59 2HB GLN 59 3.496 10.045 12.964 415 HG2 GLN 59 1HG GLN 59 3.002 12.343 13.527 416 HG3 GLN 59 2HG GLN 59 2.042 11.821 14.910 417 HE21 GLN 59 1HE2 GLN 59 4.116 13.589 15.205 418 HE22 GLN 59 2HE2 GLN 59 5.402 12.833 16.077 419 H GLY 60 H GLY 60 1.099 12.700 12.733 420 HA2 GLY 60 1HA GLY 60 -1.228 12.681 14.552 421 HA3 GLY 60 2HA GLY 60 -0.072 14.001 14.438 422 H LEU 61 H LEU 61 -1.749 12.181 11.889 423 HA LEU 61 HA LEU 61 -2.860 14.740 10.942 424 HB2 LEU 61 1HB LEU 61 -1.683 12.410 9.538 425 HB3 LEU 61 2HB LEU 61 -3.039 13.223 8.758 426 HG LEU 61 HG LEU 61 -0.374 14.431 9.492 427 HD11 LEU 61 1HD1 LEU 61 -1.514 13.250 7.077 428 HD12 LEU 61 2HD1 LEU 61 0.167 13.575 7.501 429 HD13 LEU 61 3HD1 LEU 61 -0.838 14.861 6.833 430 HD21 LEU 61 1HD2 LEU 61 -1.686 16.257 7.935 431 HD22 LEU 61 2HD2 LEU 61 -1.515 16.345 9.688 432 HD23 LEU 61 3HD2 LEU 61 -2.976 15.657 8.978 433 H GLY 62 H GLY 62 -3.593 11.317 10.274 434 HA2 GLY 62 1HA GLY 62 -5.881 10.911 11.661 435 HA3 GLY 62 2HA GLY 62 -6.425 11.890 10.306 436 H ALA 63 H ALA 63 -7.700 9.742 10.171 437 HA ALA 63 HA ALA 63 -6.378 7.445 9.148 438 HB1 ALA 63 1HB ALA 63 -8.679 7.588 10.258 439 HB2 ALA 63 2HB ALA 63 -9.272 8.079 8.670 440 HB3 ALA 63 3HB ALA 63 -8.502 6.506 8.877 441 H LEU 64 H LEU 64 -8.344 9.968 7.575 442 HA LEU 64 HA LEU 64 -7.763 8.978 4.945 443 HB2 LEU 64 1HB LEU 64 -9.787 10.404 5.896 444 HB3 LEU 64 2HB LEU 64 -8.764 11.741 5.375 445 HG LEU 64 HG LEU 64 -8.762 10.802 3.087 446 HD11 LEU 64 1HD1 LEU 64 -11.061 9.070 3.535 447 HD12 LEU 64 2HD1 LEU 64 -9.583 8.480 4.295 448 HD13 LEU 64 3HD1 LEU 64 -9.613 8.808 2.562 449 HD21 LEU 64 1HD2 LEU 64 -10.953 12.010 4.491 450 HD22 LEU 64 2HD2 LEU 64 -11.561 10.972 3.201 451 HD23 LEU 64 3HD2 LEU 64 -10.415 12.261 2.829 452 H GLU 65 H GLU 65 -6.850 11.904 6.761 453 HA GLU 65 HA GLU 65 -5.290 13.233 5.003 454 HB2 GLU 65 1HB GLU 65 -4.777 12.702 7.928 455 HB3 GLU 65 2HB GLU 65 -3.800 13.815 6.981 456 HG2 GLU 65 1HG GLU 65 -6.690 14.036 7.731 457 HG3 GLU 65 2HG GLU 65 -5.371 15.158 8.064 458 H ALA 66 H ALA 66 -4.450 10.251 6.661 459 HA ALA 66 HA ALA 66 -1.722 10.178 5.927 460 HB1 ALA 66 1HB ALA 66 -1.663 8.234 7.051 461 HB2 ALA 66 2HB ALA 66 -3.287 8.691 7.567 462 HB3 ALA 66 3HB ALA 66 -3.072 7.586 6.210 463 H THR 67 H THR 67 -4.490 8.370 4.576 464 HA THR 67 HA THR 67 -3.279 7.113 2.480 465 HB THR 67 HB THR 67 -5.982 8.440 2.232 466 HG1 THR 67 1HG THR 67 -6.025 7.273 4.134 467 HG21 THR 67 1HG2 THR 67 -4.568 6.969 0.400 468 HG22 THR 67 2HG2 THR 67 -6.323 7.146 0.428 469 HG23 THR 67 3HG2 THR 67 -5.567 5.742 1.179 470 H ALA 68 H ALA 68 -4.297 10.485 2.639 471 HA ALA 68 HA ALA 68 -4.070 11.262 0.011 472 HB1 ALA 68 1HB ALA 68 -2.886 13.196 1.849 473 HB2 ALA 68 2HB ALA 68 -4.311 13.332 0.818 474 HB3 ALA 68 3HB ALA 68 -4.436 12.557 2.397 475 H TRP 69 H TRP 69 -1.457 11.385 2.442 476 HA TRP 69 HA TRP 69 0.586 12.167 0.723 477 HB2 TRP 69 1HB TRP 69 0.886 12.230 3.122 478 HB3 TRP 69 2HB TRP 69 0.710 10.480 3.229 479 HD1 TRP 69 HD TRP 69 3.227 13.186 2.278 480 HE1 TRP 69 1HE TRP 69 5.557 12.113 2.070 481 HE3 TRP 69 3HE TRP 69 1.894 8.266 2.673 482 HZ2 TRP 69 2HZ TRP 69 6.682 9.523 2.072 483 HZ3 TRP 69 3HZ TRP 69 3.658 6.553 2.560 484 HH2 TRP 69 HH TRP 69 6.000 7.171 2.265 485 H ALA 70 H ALA 70 -0.133 8.859 1.854 486 HA ALA 70 HA ALA 70 1.693 7.410 0.467 487 HB1 ALA 70 1HB ALA 70 0.326 5.546 0.722 488 HB2 ALA 70 2HB ALA 70 -0.214 6.625 2.008 489 HB3 ALA 70 3HB ALA 70 -1.155 6.483 0.523 490 H LEU 71 H LEU 71 -1.561 8.138 -0.815 491 HA LEU 71 HA LEU 71 -1.132 7.172 -3.389 492 HB2 LEU 71 1HB LEU 71 -2.966 9.287 -2.306 493 HB3 LEU 71 2HB LEU 71 -2.964 8.845 -4.013 494 HG LEU 71 HG LEU 71 -3.324 6.686 -1.994 495 HD11 LEU 71 1HD1 LEU 71 -5.756 8.107 -2.912 496 HD12 LEU 71 2HD1 LEU 71 -4.833 8.834 -1.597 497 HD13 LEU 71 3HD1 LEU 71 -5.463 7.196 -1.430 498 HD21 LEU 71 1HD2 LEU 71 -3.218 6.645 -4.658 499 HD22 LEU 71 2HD2 LEU 71 -4.941 6.969 -4.459 500 HD23 LEU 71 3HD2 LEU 71 -4.221 5.532 -3.729 501 H LYS 72 H LYS 72 0.032 10.027 -1.886 502 HA LYS 72 HA LYS 72 0.557 11.427 -4.366 503 HB2 LYS 72 1HB LYS 72 -0.010 12.584 -2.202 504 HB3 LYS 72 2HB LYS 72 1.566 12.092 -1.597 505 HG2 LYS 72 1HG LYS 72 1.464 13.562 -4.173 506 HG3 LYS 72 2HG LYS 72 1.162 14.462 -2.684 507 HD2 LYS 72 1HD LYS 72 3.309 13.403 -1.806 508 HD3 LYS 72 2HD LYS 72 3.623 12.924 -3.475 509 HE2 LYS 72 1HE LYS 72 3.131 15.464 -3.947 510 HE3 LYS 72 2HE LYS 72 3.568 15.641 -2.249 511 HZ1 LYS 72 1HZ LYS 72 5.458 13.992 -3.509 512 HZ2 LYS 72 2HZ LYS 72 5.691 15.512 -2.805 513 HZ3 LYS 72 3HZ LYS 72 5.272 15.392 -4.440 514 H VAL 73 H VAL 73 2.724 10.516 -1.684 515 HA VAL 73 HA VAL 73 5.104 10.684 -3.077 516 HB VAL 73 HB VAL 73 4.351 8.908 -0.760 517 HG11 VAL 73 1HG1 VAL 73 6.985 9.254 -2.153 518 HG12 VAL 73 2HG1 VAL 73 6.896 8.808 -0.447 519 HG13 VAL 73 3HG1 VAL 73 6.172 7.766 -1.673 520 HG21 VAL 73 1HG2 VAL 73 4.309 11.064 0.042 521 HG22 VAL 73 2HG2 VAL 73 5.995 10.634 0.325 522 HG23 VAL 73 3HG2 VAL 73 5.561 11.618 -1.071 523 H ALA 74 H ALA 74 2.657 8.266 -3.254 524 HA ALA 74 HA ALA 74 4.358 6.243 -4.415 525 HB1 ALA 74 1HB ALA 74 2.588 5.345 -3.188 526 HB2 ALA 74 2HB ALA 74 1.411 6.448 -3.903 527 HB3 ALA 74 3HB ALA 74 2.088 5.136 -4.867 528 H GLU 75 H GLU 75 2.372 8.860 -5.521 529 HA GLU 75 HA GLU 75 2.430 7.895 -8.278 530 HB2 GLU 75 1HB GLU 75 0.340 8.868 -7.313 531 HB3 GLU 75 2HB GLU 75 1.170 10.412 -7.178 532 HG2 GLU 75 1HG GLU 75 1.078 9.053 -9.824 533 HG3 GLU 75 2HG GLU 75 -0.364 9.875 -9.228 534 H ASN 76 H ASN 76 4.098 10.027 -6.183 535 HA ASN 76 HA ASN 76 5.212 11.613 -8.358 536 HB2 ASN 76 1HB ASN 76 5.227 11.781 -5.381 537 HB3 ASN 76 2HB ASN 76 6.569 12.516 -6.253 538 HD21 ASN 76 1HD2 ASN 76 3.087 12.506 -5.859 539 HD22 ASN 76 2HD2 ASN 76 2.827 14.108 -6.449 540 H GLU 77 H GLU 77 6.502 9.632 -5.681 541 HA GLU 77 HA GLU 77 9.075 9.426 -6.961 542 HB2 GLU 77 1HB GLU 77 7.884 8.537 -4.385 543 HB3 GLU 77 2HB GLU 77 9.277 7.647 -4.979 544 HG2 GLU 77 1HG GLU 77 9.136 10.595 -4.401 545 HG3 GLU 77 2HG GLU 77 10.000 9.371 -3.472 546 H LEU 78 H LEU 78 6.987 6.833 -5.699 547 HA LEU 78 HA LEU 78 8.059 4.795 -7.253 548 HB2 LEU 78 1HB LEU 78 5.175 4.855 -6.428 549 HB3 LEU 78 2HB LEU 78 6.249 3.465 -6.572 550 HG LEU 78 HG LEU 78 6.334 5.585 -4.427 551 HD11 LEU 78 1HD1 LEU 78 4.648 3.452 -4.625 552 HD12 LEU 78 2HD1 LEU 78 5.157 4.206 -3.115 553 HD13 LEU 78 3HD1 LEU 78 5.991 2.771 -3.709 554 HD21 LEU 78 1HD2 LEU 78 8.333 4.835 -3.755 555 HD22 LEU 78 2HD2 LEU 78 8.479 4.196 -5.393 556 HD23 LEU 78 3HD2 LEU 78 7.919 3.152 -4.084 557 H GLY 79 H GLY 79 5.406 7.016 -7.948 558 HA2 GLY 79 1HA GLY 79 4.818 7.727 -10.119 559 HA3 GLY 79 2HA GLY 79 5.641 6.322 -10.777 560 H ILE 80 H ILE 80 3.916 5.091 -8.327 561 HA ILE 80 HA ILE 80 2.014 3.845 -10.010 562 HB ILE 80 HB ILE 80 2.067 4.007 -6.995 563 HG12 ILE 80 1HG1 ILE 80 4.087 2.985 -7.925 564 HG13 ILE 80 2HG1 ILE 80 3.092 1.772 -7.127 565 HG21 ILE 80 1HG2 ILE 80 0.223 2.759 -6.918 566 HG22 ILE 80 2HG2 ILE 80 -0.004 3.160 -8.620 567 HG23 ILE 80 3HG2 ILE 80 0.819 1.668 -8.169 568 HD11 ILE 80 1HD1 ILE 80 3.927 1.977 -9.904 569 HD12 ILE 80 2HD1 ILE 80 3.378 0.578 -8.979 570 HD13 ILE 80 3HD1 ILE 80 2.201 1.667 -9.712 571 H THR 81 H THR 81 0.539 5.113 -10.992 572 HA THR 81 HA THR 81 -0.640 7.423 -9.949 573 HB THR 81 HB THR 81 -1.719 5.526 -12.042 574 HG1 THR 81 1HG THR 81 -0.131 6.404 -13.130 575 HG21 THR 81 1HG2 THR 81 -2.482 8.414 -11.749 576 HG22 THR 81 2HG2 THR 81 -3.363 7.148 -10.892 577 HG23 THR 81 3HG2 THR 81 -3.295 7.137 -12.654 578 HA PRO 82 HA PRO 82 -3.526 5.856 -7.002 579 HB2 PRO 82 1HB PRO 82 -5.151 8.025 -6.855 580 HB3 PRO 82 2HB PRO 82 -3.542 7.980 -6.126 581 HG2 PRO 82 1HG PRO 82 -4.411 9.186 -8.724 582 HG3 PRO 82 2HG PRO 82 -3.314 9.845 -7.496 583 HD2 PRO 82 1HD PRO 82 -2.422 8.671 -9.768 584 HD3 PRO 82 2HD PRO 82 -1.530 8.588 -8.236 585 H VAL 83 H VAL 83 -4.393 4.217 -8.424 586 HA VAL 83 HA VAL 83 -6.377 4.689 -10.357 587 HB VAL 83 HB VAL 83 -5.003 2.529 -9.839 588 HG11 VAL 83 1HG1 VAL 83 -5.753 1.072 -8.289 589 HG12 VAL 83 2HG1 VAL 83 -6.432 2.525 -7.551 590 HG13 VAL 83 3HG1 VAL 83 -7.445 1.490 -8.560 591 HG21 VAL 83 1HG2 VAL 83 -6.169 1.739 -11.560 592 HG22 VAL 83 2HG2 VAL 83 -7.616 1.557 -10.568 593 HG23 VAL 83 3HG2 VAL 83 -7.276 3.097 -11.359 594 H VAL 84 H VAL 84 -6.513 4.514 -6.900 595 HA VAL 84 HA VAL 84 -9.440 4.830 -7.030 596 HB VAL 84 HB VAL 84 -7.836 3.337 -4.953 597 HG11 VAL 84 1HG1 VAL 84 -9.829 3.051 -3.684 598 HG12 VAL 84 2HG1 VAL 84 -9.659 4.778 -3.999 599 HG13 VAL 84 3HG1 VAL 84 -10.809 3.821 -4.932 600 HG21 VAL 84 1HG2 VAL 84 -8.217 1.899 -6.763 601 HG22 VAL 84 2HG2 VAL 84 -9.510 1.520 -5.626 602 HG23 VAL 84 3HG2 VAL 84 -9.842 2.526 -7.036 603 H SER 85 H SER 85 -10.262 6.563 -6.026 604 HA SER 85 HA SER 85 -8.659 8.673 -5.171 605 HB2 SER 85 1HB SER 85 -11.228 8.529 -5.819 606 HB3 SER 85 2HB SER 85 -11.426 8.423 -4.070 607 HG SER 85 HG SER 85 -10.853 10.448 -3.878 608 H ALA 86 H ALA 86 -8.171 9.525 -3.138 609 HA ALA 86 HA ALA 86 -7.370 7.744 -1.168 610 HB1 ALA 86 1HB ALA 86 -6.382 9.554 -0.347 611 HB2 ALA 86 2HB ALA 86 -7.190 10.499 -1.601 612 HB3 ALA 86 3HB ALA 86 -7.938 10.316 -0.015 613 H GLN 87 H GLN 87 -10.407 9.470 -1.542 614 HA GLN 87 HA GLN 87 -11.422 8.822 1.044 615 HB2 GLN 87 1HB GLN 87 -12.159 10.689 -0.623 616 HB3 GLN 87 2HB GLN 87 -13.179 9.432 -1.308 617 HG2 GLN 87 1HG GLN 87 -13.878 9.133 1.226 618 HG3 GLN 87 2HG GLN 87 -13.363 10.818 1.304 619 HE21 GLN 87 1HE2 GLN 87 -16.026 9.585 1.561 620 HE22 GLN 87 2HE2 GLN 87 -17.015 10.370 0.380 621 H ALA 88 H ALA 88 -11.851 7.450 -2.195 622 HA ALA 88 HA ALA 88 -13.781 5.538 -1.609 623 HB1 ALA 88 1HB ALA 88 -11.524 5.380 -3.602 624 HB2 ALA 88 2HB ALA 88 -12.937 4.325 -3.578 625 HB3 ALA 88 3HB ALA 88 -13.130 6.051 -3.884 626 H VAL 89 H VAL 89 -10.245 5.301 -1.399 627 HA VAL 89 HA VAL 89 -10.039 2.613 -0.710 628 HB VAL 89 HB VAL 89 -8.297 4.921 0.165 629 HG11 VAL 89 1HG1 VAL 89 -8.301 2.249 1.077 630 HG12 VAL 89 2HG1 VAL 89 -6.905 2.434 0.013 631 HG13 VAL 89 3HG1 VAL 89 -7.110 3.509 1.397 632 HG21 VAL 89 1HG2 VAL 89 -7.599 2.930 -1.950 633 HG22 VAL 89 2HG2 VAL 89 -8.657 4.287 -2.340 634 HG23 VAL 89 3HG2 VAL 89 -7.028 4.586 -1.734 635 H VAL 90 H VAL 90 -9.832 5.349 1.574 636 HA VAL 90 HA VAL 90 -10.135 3.760 3.880 637 HB VAL 90 HB VAL 90 -10.697 6.707 3.515 638 HG11 VAL 90 1HG1 VAL 90 -10.130 6.630 6.055 639 HG12 VAL 90 2HG1 VAL 90 -11.759 6.227 5.509 640 HG13 VAL 90 3HG1 VAL 90 -10.623 4.943 5.926 641 HG21 VAL 90 1HG2 VAL 90 -8.433 6.329 2.977 642 HG22 VAL 90 2HG2 VAL 90 -8.433 6.885 4.651 643 HG23 VAL 90 3HG2 VAL 90 -8.232 5.169 4.290 644 H ALA 91 H ALA 91 -12.476 6.027 2.419 645 HA ALA 91 HA ALA 91 -14.677 5.632 3.911 646 HB1 ALA 91 1HB ALA 91 -14.629 7.103 1.968 647 HB2 ALA 91 2HB ALA 91 -14.656 5.702 0.896 648 HB3 ALA 91 3HB ALA 91 -16.043 6.050 1.928 649 H GLY 92 H GLY 92 -13.607 3.453 1.311 650 HA2 GLY 92 1HA GLY 92 -13.844 1.123 1.289 651 HA3 GLY 92 2HA GLY 92 -14.952 1.245 2.648 652 H SER 93 H SER 93 -15.108 2.940 -0.455 653 HA SER 93 HA SER 93 -17.792 1.828 -0.836 654 HB2 SER 93 1HB SER 93 -17.635 4.266 -0.888 655 HB3 SER 93 2HB SER 93 -16.427 4.179 -2.170 656 HG SER 93 HG SER 93 -17.958 3.469 -3.575 657 H ASP 94 H ASP 94 -14.705 2.253 -2.506 658 HA ASP 94 HA ASP 94 -15.617 0.349 -4.560 659 HB2 ASP 94 1HB ASP 94 -13.294 2.274 -4.760 660 HB3 ASP 94 2HB ASP 94 -13.985 1.302 -6.056 661 HA PRO 95 HA PRO 95 -12.627 -2.090 -2.086 662 HB2 PRO 95 1HB PRO 95 -13.851 -4.465 -2.571 663 HB3 PRO 95 2HB PRO 95 -14.363 -3.365 -1.284 664 HG2 PRO 95 1HG PRO 95 -15.518 -3.747 -4.019 665 HG3 PRO 95 2HG PRO 95 -16.355 -3.559 -2.468 666 HD2 PRO 95 1HD PRO 95 -16.075 -1.521 -4.229 667 HD3 PRO 95 2HD PRO 95 -16.113 -1.267 -2.472 668 H LEU 96 H LEU 96 -13.972 -2.735 -5.298 669 HA LEU 96 HA LEU 96 -12.013 -4.552 -6.165 670 HB2 LEU 96 1HB LEU 96 -13.973 -2.760 -7.518 671 HB3 LEU 96 2HB LEU 96 -12.723 -3.540 -8.484 672 HG LEU 96 HG LEU 96 -13.655 -5.697 -7.233 673 HD11 LEU 96 1HD1 LEU 96 -15.910 -5.640 -6.694 674 HD12 LEU 96 2HD1 LEU 96 -16.181 -4.126 -7.555 675 HD13 LEU 96 3HD1 LEU 96 -15.304 -4.125 -6.024 676 HD21 LEU 96 1HD2 LEU 96 -15.011 -6.132 -9.198 677 HD22 LEU 96 2HD2 LEU 96 -13.503 -5.342 -9.659 678 HD23 LEU 96 3HD2 LEU 96 -15.004 -4.416 -9.607 679 H GLY 97 H GLY 97 -12.266 -1.028 -6.628 680 HA2 GLY 97 1HA GLY 97 -10.019 -0.583 -8.157 681 HA3 GLY 97 2HA GLY 97 -10.631 0.552 -6.964 682 H LEU 98 H LEU 98 -10.135 -0.500 -4.593 683 HA LEU 98 HA LEU 98 -7.527 0.020 -4.019 684 HB2 LEU 98 1HB LEU 98 -9.060 -0.180 -2.238 685 HB3 LEU 98 2HB LEU 98 -9.467 -1.838 -2.676 686 HG LEU 98 HG LEU 98 -7.195 -2.533 -1.966 687 HD11 LEU 98 1HD1 LEU 98 -5.749 -1.059 -0.800 688 HD12 LEU 98 2HD1 LEU 98 -6.951 0.231 -0.800 689 HD13 LEU 98 3HD1 LEU 98 -6.183 -0.259 -2.310 690 HD21 LEU 98 1HD2 LEU 98 -7.742 -2.678 0.279 691 HD22 LEU 98 2HD2 LEU 98 -9.311 -2.412 -0.480 692 HD23 LEU 98 3HD2 LEU 98 -8.475 -1.074 0.311 693 H ILE 99 H ILE 99 -8.848 -3.277 -4.378 694 HA ILE 99 HA ILE 99 -6.536 -4.730 -4.172 695 HB ILE 99 HB ILE 99 -8.807 -5.264 -6.089 696 HG12 ILE 99 1HG1 ILE 99 -8.358 -6.375 -3.314 697 HG13 ILE 99 2HG1 ILE 99 -9.396 -4.994 -3.650 698 HG21 ILE 99 1HG2 ILE 99 -7.000 -7.341 -4.909 699 HG22 ILE 99 2HG2 ILE 99 -8.051 -7.451 -6.321 700 HG23 ILE 99 3HG2 ILE 99 -6.568 -6.499 -6.398 701 HD11 ILE 99 1HD1 ILE 99 -10.572 -7.182 -3.406 702 HD12 ILE 99 2HD1 ILE 99 -10.892 -6.330 -4.918 703 HD13 ILE 99 3HD1 ILE 99 -9.782 -7.701 -4.895 704 H ALA 100 H ALA 100 -7.845 -3.242 -7.122 705 HA ALA 100 HA ALA 100 -5.767 -4.109 -8.832 706 HB1 ALA 100 1HB ALA 100 -6.616 -2.071 -10.219 707 HB2 ALA 100 2HB ALA 100 -7.658 -3.475 -9.984 708 HB3 ALA 100 3HB ALA 100 -7.897 -2.025 -9.009 709 H TYR 101 H TYR 101 -6.104 -1.384 -6.679 710 HA TYR 101 HA TYR 101 -4.030 0.217 -7.746 711 HB2 TYR 101 1HB TYR 101 -5.782 1.049 -6.192 712 HB3 TYR 101 2HB TYR 101 -5.036 0.123 -4.895 713 HD1 TYR 101 1HD TYR 101 -3.400 2.151 -7.554 714 HD2 TYR 101 2HD TYR 101 -4.259 1.745 -3.407 715 HE1 TYR 101 1HE TYR 101 -1.910 4.046 -7.066 716 HE2 TYR 101 2HE TYR 101 -2.772 3.639 -2.908 717 HH TYR 101 HH TYR 101 -0.700 5.034 -5.318 718 H LEU 102 H LEU 102 -4.074 -1.943 -4.909 719 HA LEU 102 HA LEU 102 -1.399 -1.730 -4.213 720 HB2 LEU 102 1HB LEU 102 -3.101 -4.206 -4.003 721 HB3 LEU 102 2HB LEU 102 -1.663 -3.834 -3.053 722 HG LEU 102 HG LEU 102 -4.240 -2.269 -2.935 723 HD11 LEU 102 1HD1 LEU 102 -3.968 -3.483 -0.522 724 HD12 LEU 102 2HD1 LEU 102 -3.383 -4.740 -1.611 725 HD13 LEU 102 3HD1 LEU 102 -4.998 -4.066 -1.830 726 HD21 LEU 102 1HD2 LEU 102 -3.300 -1.046 -1.211 727 HD22 LEU 102 2HD2 LEU 102 -1.947 -1.224 -2.328 728 HD23 LEU 102 3HD2 LEU 102 -2.051 -2.251 -0.898 729 H SER 103 H SER 103 -2.945 -3.946 -6.503 730 HA SER 103 HA SER 103 -0.895 -5.636 -7.131 731 HB2 SER 103 1HB SER 103 -3.071 -4.424 -8.807 732 HB3 SER 103 2HB SER 103 -1.869 -5.478 -9.551 733 HG SER 103 HG SER 103 -2.583 -7.155 -8.374 734 H HIS 104 H HIS 104 -1.347 -2.320 -8.252 735 HA HIS 104 HA HIS 104 0.692 -2.235 -10.161 736 HB2 HIS 104 1HB HIS 104 -0.331 -0.020 -8.372 737 HB3 HIS 104 2HB HIS 104 0.663 0.217 -9.807 738 HD1 HIS 104 1HD HIS 104 -1.342 1.673 -10.736 739 HD2 HIS 104 2HD HIS 104 -2.157 -2.371 -10.237 740 HE1 HIS 104 1HE HIS 104 -3.447 1.245 -12.043 741 HE2 HIS 104 2HE HIS 104 -3.967 -1.190 -11.657 742 H PHE 105 H PHE 105 0.775 -1.661 -6.672 743 HA PHE 105 HA PHE 105 3.448 -0.794 -6.520 744 HB2 PHE 105 1HB PHE 105 1.552 -2.017 -4.533 745 HB3 PHE 105 2HB PHE 105 3.221 -1.668 -4.093 746 HD1 PHE 105 1HD PHE 105 0.050 -0.162 -5.230 747 HD2 PHE 105 2HD PHE 105 3.925 0.532 -3.612 748 HE1 PHE 105 1HE PHE 105 -0.572 2.168 -4.748 749 HE2 PHE 105 2HE PHE 105 3.309 2.864 -3.126 750 HZ PHE 105 HZ PHE 105 1.057 3.685 -3.694 751 H HIS 106 H HIS 106 2.006 -4.014 -6.131 752 HA HIS 106 HA HIS 106 4.475 -5.332 -5.632 753 HB2 HIS 106 1HB HIS 106 2.387 -6.327 -4.898 754 HB3 HIS 106 2HB HIS 106 1.804 -6.409 -6.559 755 HD1 HIS 106 1HD HIS 106 1.755 -8.805 -7.163 756 HD2 HIS 106 2HD HIS 106 5.199 -7.811 -5.062 757 HE1 HIS 106 1HE HIS 106 3.144 -10.901 -7.119 758 HE2 HIS 106 2HE HIS 106 5.184 -10.300 -5.769 759 H SER 107 H SER 107 2.324 -5.554 -8.474 760 HA SER 107 HA SER 107 3.790 -6.954 -10.218 761 HB2 SER 107 1HB SER 107 2.373 -4.360 -10.871 762 HB3 SER 107 2HB SER 107 2.851 -5.579 -12.052 763 HG SER 107 HG SER 107 1.322 -6.431 -9.887 764 H ALA 108 H ALA 108 4.516 -3.706 -9.146 765 HA ALA 108 HA ALA 108 6.734 -3.454 -11.017 766 HB1 ALA 108 1HB ALA 108 6.908 -1.208 -10.333 767 HB2 ALA 108 2HB ALA 108 5.178 -1.546 -10.400 768 HB3 ALA 108 3HB ALA 108 6.009 -1.507 -8.845 769 H PHE 109 H PHE 109 6.180 -3.722 -7.528 770 HA PHE 109 HA PHE 109 9.070 -4.102 -7.142 771 HB2 PHE 109 1HB PHE 109 6.875 -3.325 -5.218 772 HB3 PHE 109 2HB PHE 109 8.501 -3.754 -4.696 773 HD1 PHE 109 1HD PHE 109 6.643 -1.396 -6.880 774 HD2 PHE 109 2HD PHE 109 10.174 -2.146 -4.624 775 HE1 PHE 109 1HE PHE 109 7.366 0.928 -7.246 776 HE2 PHE 109 2HE PHE 109 10.902 0.177 -4.985 777 HZ PHE 109 HZ PHE 109 9.497 1.717 -6.296 778 H LYS 110 H LYS 110 7.858 -6.234 -8.278 779 HA LYS 110 HA LYS 110 7.405 -8.134 -6.076 780 HB2 LYS 110 1HB LYS 110 6.226 -9.526 -7.620 781 HB3 LYS 110 2HB LYS 110 5.611 -7.890 -7.815 782 HG2 LYS 110 1HG LYS 110 6.718 -7.596 -9.860 783 HG3 LYS 110 2HG LYS 110 7.766 -8.991 -9.588 784 HD2 LYS 110 1HD LYS 110 5.472 -10.283 -9.525 785 HD3 LYS 110 2HD LYS 110 4.915 -8.890 -10.455 786 HE2 LYS 110 1HE LYS 110 5.592 -10.363 -12.109 787 HE3 LYS 110 2HE LYS 110 7.008 -9.333 -11.912 788 HZ1 LYS 110 1HZ LYS 110 7.919 -11.051 -10.403 789 HZ2 LYS 110 2HZ LYS 110 7.716 -11.593 -11.992 790 HZ3 LYS 110 3HZ LYS 110 6.614 -12.053 -10.795 791 H SER 111 H SER 111 8.172 -10.415 -6.612 792 HA SER 111 HA SER 111 10.584 -10.516 -8.234 793 HB2 SER 111 1HB SER 111 11.282 -9.734 -5.946 794 HB3 SER 111 2HB SER 111 10.688 -11.266 -5.306 795 HG SER 111 HG SER 111 12.169 -12.238 -6.920 796 H GLY 112 H GLY 112 11.193 -12.604 -8.836 797 HA2 GLY 112 1HA GLY 112 10.949 -15.036 -8.313 798 HA3 GLY 112 2HA GLY 112 9.236 -14.699 -8.116 799 HA PRO 113 HA PRO 113 9.958 -16.196 -12.451 800 HB2 PRO 113 1HB PRO 113 7.920 -17.990 -12.425 801 HB3 PRO 113 2HB PRO 113 9.548 -18.377 -11.856 802 HG2 PRO 113 1HG PRO 113 7.117 -17.628 -10.277 803 HG3 PRO 113 2HG PRO 113 8.318 -18.890 -9.949 804 HD2 PRO 113 1HD PRO 113 8.346 -16.491 -8.694 805 HD3 PRO 113 2HD PRO 113 9.830 -17.396 -9.057 806 H SER 114 H SER 114 9.077 -15.040 -14.038 807 HA SER 114 HA SER 114 6.774 -13.418 -13.621 808 HB2 SER 114 1HB SER 114 7.097 -12.706 -15.937 809 HB3 SER 114 2HB SER 114 8.643 -12.737 -15.091 810 HG SER 114 HG SER 114 8.661 -13.717 -17.215 811 H SER 115 H SER 115 4.695 -13.734 -14.164 812 HA SER 115 HA SER 115 4.018 -16.098 -15.778 813 HB2 SER 115 1HB SER 115 3.094 -15.380 -13.036 814 HB3 SER 115 2HB SER 115 1.915 -16.097 -14.135 815 HG SER 115 HG SER 115 4.102 -17.231 -12.904 816 H GLY 116 H GLY 116 1.509 -15.989 -16.255 817 HA2 GLY 116 1HA GLY 116 -0.227 -14.096 -16.454 818 HA3 GLY 116 2HA GLY 116 1.051 -13.297 -17.358 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.370 -23.707 5.227 2 HA2 GLY 1 1HA GLY 1 -0.084 -23.037 3.737 3 HA3 GLY 1 2HA GLY 1 -0.426 -24.620 4.419 4 H SER 2 H SER 2 -1.133 -22.528 1.648 5 HA SER 2 HA SER 2 -1.961 -24.824 0.064 6 HB2 SER 2 1HB SER 2 -1.798 -21.881 -0.628 7 HB3 SER 2 2HB SER 2 -2.430 -23.134 -1.696 8 HG SER 2 HG SER 2 -4.161 -22.249 -0.639 9 H SER 3 H SER 3 -0.040 -25.989 -0.140 10 HA SER 3 HA SER 3 2.478 -25.166 -0.730 11 HB2 SER 3 1HB SER 3 0.999 -27.568 -1.816 12 HB3 SER 3 2HB SER 3 2.735 -27.328 -2.011 13 HG SER 3 HG SER 3 2.006 -28.617 -0.141 14 H GLY 4 H GLY 4 3.015 -23.600 -2.119 15 HA2 GLY 4 1HA GLY 4 3.431 -22.590 -4.145 16 HA3 GLY 4 2HA GLY 4 2.814 -24.040 -4.925 17 H SER 5 H SER 5 2.376 -20.859 -4.831 18 HA SER 5 HA SER 5 -0.512 -20.772 -4.670 19 HB2 SER 5 1HB SER 5 1.622 -18.717 -5.219 20 HB3 SER 5 2HB SER 5 -0.087 -18.347 -5.450 21 HG SER 5 HG SER 5 -0.431 -18.849 -3.265 22 H SER 6 H SER 6 -1.841 -21.156 -6.304 23 HA SER 6 HA SER 6 -0.825 -21.665 -8.941 24 HB2 SER 6 1HB SER 6 -3.460 -21.909 -7.572 25 HB3 SER 6 2HB SER 6 -3.465 -21.792 -9.331 26 HG SER 6 HG SER 6 -2.728 -23.753 -9.439 27 H GLY 7 H GLY 7 -3.026 -19.256 -7.519 28 HA2 GLY 7 1HA GLY 7 -2.160 -17.036 -8.840 29 HA3 GLY 7 2HA GLY 7 -3.250 -17.795 -9.990 30 H THR 8 H THR 8 -2.981 -16.038 -7.022 31 HA THR 8 HA THR 8 -5.742 -15.243 -7.190 32 HB THR 8 HB THR 8 -6.037 -17.320 -5.957 33 HG1 THR 8 1HG THR 8 -7.090 -16.408 -4.161 34 HG21 THR 8 1HG2 THR 8 -3.868 -17.658 -5.005 35 HG22 THR 8 2HG2 THR 8 -5.016 -17.526 -3.674 36 HG23 THR 8 3HG2 THR 8 -3.978 -16.160 -4.083 37 H GLN 9 H GLN 9 -6.261 -13.483 -5.770 38 HA GLN 9 HA GLN 9 -4.372 -11.518 -5.551 39 HB2 GLN 9 1HB GLN 9 -6.892 -12.010 -3.986 40 HB3 GLN 9 2HB GLN 9 -5.896 -10.590 -3.690 41 HG2 GLN 9 1HG GLN 9 -7.352 -9.721 -5.193 42 HG3 GLN 9 2HG GLN 9 -6.118 -10.318 -6.301 43 HE21 GLN 9 1HE2 GLN 9 -9.249 -10.008 -6.120 44 HE22 GLN 9 2HE2 GLN 9 -9.794 -11.456 -6.888 45 H GLU 10 H GLU 10 -4.788 -14.260 -3.516 46 HA GLU 10 HA GLU 10 -3.809 -13.517 -1.080 47 HB2 GLU 10 1HB GLU 10 -4.445 -15.872 -2.094 48 HB3 GLU 10 2HB GLU 10 -2.706 -16.007 -2.307 49 HG2 GLU 10 1HG GLU 10 -2.302 -15.867 0.001 50 HG3 GLU 10 2HG GLU 10 -3.937 -15.296 0.333 51 H GLU 11 H GLU 11 -1.890 -14.332 -3.956 52 HA GLU 11 HA GLU 11 0.648 -14.121 -2.870 53 HB2 GLU 11 1HB GLU 11 0.103 -14.911 -5.175 54 HB3 GLU 11 2HB GLU 11 -0.167 -13.238 -5.643 55 HG2 GLU 11 1HG GLU 11 2.153 -12.706 -5.125 56 HG3 GLU 11 2HG GLU 11 2.431 -14.376 -4.633 57 H LEU 12 H LEU 12 -1.385 -11.568 -4.263 58 HA LEU 12 HA LEU 12 0.479 -9.476 -3.969 59 HB2 LEU 12 1HB LEU 12 -1.328 -9.126 -5.437 60 HB3 LEU 12 2HB LEU 12 -2.514 -9.544 -4.201 61 HG LEU 12 HG LEU 12 -1.961 -7.450 -3.010 62 HD11 LEU 12 1HD1 LEU 12 -0.602 -5.764 -4.044 63 HD12 LEU 12 2HD1 LEU 12 -0.333 -6.783 -5.457 64 HD13 LEU 12 3HD1 LEU 12 0.346 -7.243 -3.896 65 HD21 LEU 12 1HD2 LEU 12 -3.835 -7.560 -4.592 66 HD22 LEU 12 2HD2 LEU 12 -2.756 -7.060 -5.895 67 HD23 LEU 12 3HD2 LEU 12 -3.094 -5.960 -4.558 68 H LEU 13 H LEU 13 -2.312 -10.378 -1.943 69 HA LEU 13 HA LEU 13 -2.030 -8.489 0.048 70 HB2 LEU 13 1HB LEU 13 -3.957 -9.847 0.048 71 HB3 LEU 13 2HB LEU 13 -3.005 -11.328 0.128 72 HG LEU 13 HG LEU 13 -2.309 -10.603 2.450 73 HD11 LEU 13 1HD1 LEU 13 -4.323 -9.071 3.344 74 HD12 LEU 13 2HD1 LEU 13 -4.139 -8.407 1.721 75 HD13 LEU 13 3HD1 LEU 13 -2.765 -8.426 2.826 76 HD21 LEU 13 1HD2 LEU 13 -4.871 -11.651 1.526 77 HD22 LEU 13 2HD2 LEU 13 -4.935 -10.966 3.150 78 HD23 LEU 13 3HD2 LEU 13 -3.783 -12.250 2.780 79 H ARG 14 H ARG 14 -0.860 -11.853 0.299 80 HA ARG 14 HA ARG 14 0.605 -11.668 2.588 81 HB2 ARG 14 1HB ARG 14 1.020 -13.254 0.078 82 HB3 ARG 14 2HB ARG 14 2.198 -13.352 1.380 83 HG2 ARG 14 1HG ARG 14 0.780 -14.461 2.773 84 HG3 ARG 14 2HG ARG 14 -0.663 -13.730 2.066 85 HD2 ARG 14 1HD ARG 14 -0.764 -15.953 1.367 86 HD3 ARG 14 2HD ARG 14 -0.094 -15.103 -0.024 87 HE ARG 14 HE ARG 14 1.825 -16.315 0.220 88 HH11 ARG 14 2HH1 ARG 14 0.017 -16.466 3.191 89 HH12 ARG 14 1HH1 ARG 14 1.073 -17.625 3.928 90 HH21 ARG 14 2HH2 ARG 14 3.223 -17.842 1.178 91 HH22 ARG 14 1HH2 ARG 14 2.896 -18.407 2.782 92 H TRP 15 H TRP 15 1.670 -10.761 -0.668 93 HA TRP 15 HA TRP 15 4.319 -10.109 -0.018 94 HB2 TRP 15 1HB TRP 15 3.612 -10.387 -2.328 95 HB3 TRP 15 2HB TRP 15 2.528 -9.004 -2.192 96 HD1 TRP 15 HD TRP 15 6.267 -9.860 -2.420 97 HE1 TRP 15 1HE TRP 15 7.539 -7.750 -3.166 98 HE3 TRP 15 3HE TRP 15 2.427 -6.488 -2.240 99 HZ2 TRP 15 2HZ TRP 15 6.988 -5.019 -3.619 100 HZ3 TRP 15 3HZ TRP 15 2.884 -4.147 -2.844 101 HH2 TRP 15 HH TRP 15 5.118 -3.430 -3.520 102 H CYS 16 H CYS 16 1.350 -8.207 0.082 103 HA CYS 16 HA CYS 16 2.613 -5.728 0.663 104 HB2 CYS 16 1HB CYS 16 -0.226 -6.640 1.177 105 HB3 CYS 16 2HB CYS 16 0.339 -4.979 1.296 106 HG CYS 16 HG CYS 16 -0.550 -6.730 -1.391 107 H GLN 17 H GLN 17 1.232 -8.300 2.647 108 HA GLN 17 HA GLN 17 1.324 -7.008 5.125 109 HB2 GLN 17 1HB GLN 17 1.596 -9.935 4.428 110 HB3 GLN 17 2HB GLN 17 1.426 -9.334 6.073 111 HG2 GLN 17 1HG GLN 17 -0.748 -8.413 5.546 112 HG3 GLN 17 2HG GLN 17 -0.577 -8.916 3.866 113 HE21 GLN 17 1HE2 GLN 17 -2.607 -9.624 5.842 114 HE22 GLN 17 2HE2 GLN 17 -2.580 -11.348 5.956 115 H GLU 18 H GLU 18 3.763 -8.985 3.471 116 HA GLU 18 HA GLU 18 5.683 -8.984 5.510 117 HB2 GLU 18 1HB GLU 18 6.017 -9.145 2.512 118 HB3 GLU 18 2HB GLU 18 7.316 -9.431 3.662 119 HG2 GLU 18 1HG GLU 18 4.769 -11.017 3.432 120 HG3 GLU 18 2HG GLU 18 6.365 -11.519 2.879 121 H GLN 19 H GLN 19 5.057 -6.687 2.905 122 HA GLN 19 HA GLN 19 7.346 -5.073 3.389 123 HB2 GLN 19 1HB GLN 19 4.742 -4.478 1.977 124 HB3 GLN 19 2HB GLN 19 6.115 -3.379 2.008 125 HG2 GLN 19 1HG GLN 19 5.849 -6.026 0.646 126 HG3 GLN 19 2HG GLN 19 6.323 -4.467 -0.026 127 HE21 GLN 19 1HE2 GLN 19 7.464 -7.396 0.653 128 HE22 GLN 19 2HE2 GLN 19 9.118 -7.029 0.990 129 H THR 20 H THR 20 3.901 -4.336 3.965 130 HA THR 20 HA THR 20 4.368 -2.102 5.593 131 HB THR 20 HB THR 20 2.037 -2.292 6.294 132 HG1 THR 20 1HG THR 20 2.254 -4.746 6.329 133 HG21 THR 20 1HG2 THR 20 2.500 -1.386 4.068 134 HG22 THR 20 2HG2 THR 20 0.972 -2.267 4.087 135 HG23 THR 20 3HG2 THR 20 2.409 -3.008 3.384 136 H ALA 21 H ALA 21 4.615 -5.454 6.261 137 HA ALA 21 HA ALA 21 4.000 -5.683 8.932 138 HB1 ALA 21 1HB ALA 21 6.335 -7.169 8.648 139 HB2 ALA 21 2HB ALA 21 4.682 -7.730 8.395 140 HB3 ALA 21 3HB ALA 21 5.626 -7.127 7.033 141 H GLY 22 H GLY 22 6.540 -3.867 7.483 142 HA2 GLY 22 1HA GLY 22 7.980 -3.620 10.025 143 HA3 GLY 22 2HA GLY 22 8.544 -3.055 8.460 144 H TYR 23 H TYR 23 5.671 -2.489 10.500 145 HA TYR 23 HA TYR 23 6.324 0.308 10.753 146 HB2 TYR 23 1HB TYR 23 5.165 0.003 8.486 147 HB3 TYR 23 2HB TYR 23 3.710 -0.354 9.408 148 HD1 TYR 23 2HD TYR 23 3.153 1.452 11.283 149 HD2 TYR 23 1HD TYR 23 5.515 2.185 7.820 150 HE1 TYR 23 2HE TYR 23 2.680 3.857 11.476 151 HE2 TYR 23 1HE TYR 23 5.050 4.592 8.005 152 HH TYR 23 HH TYR 23 2.965 5.981 9.164 153 HA PRO 24 HA PRO 24 4.213 -0.480 14.551 154 HB2 PRO 24 1HB PRO 24 4.063 2.087 15.424 155 HB3 PRO 24 2HB PRO 24 5.562 1.150 15.449 156 HG2 PRO 24 1HG PRO 24 4.639 3.191 13.464 157 HG3 PRO 24 2HG PRO 24 6.247 2.973 14.180 158 HD2 PRO 24 1HD PRO 24 5.627 2.096 11.694 159 HD3 PRO 24 2HD PRO 24 6.794 1.260 12.739 160 H GLY 25 H GLY 25 2.125 -1.060 14.467 161 HA2 GLY 25 1HA GLY 25 -0.147 -0.399 14.874 162 HA3 GLY 25 2HA GLY 25 0.144 1.047 13.919 163 H VAL 26 H VAL 26 1.204 0.111 11.617 164 HA VAL 26 HA VAL 26 -0.982 -0.674 10.121 165 HB VAL 26 HB VAL 26 1.914 -1.223 9.459 166 HG11 VAL 26 1HG1 VAL 26 0.782 -2.413 7.856 167 HG12 VAL 26 2HG1 VAL 26 -0.619 -1.341 7.894 168 HG13 VAL 26 3HG1 VAL 26 0.863 -0.828 7.087 169 HG21 VAL 26 1HG2 VAL 26 0.521 1.095 8.290 170 HG22 VAL 26 2HG2 VAL 26 0.890 1.210 10.011 171 HG23 VAL 26 3HG2 VAL 26 2.186 0.933 8.848 172 H HIS 27 H HIS 27 -2.145 -2.461 10.439 173 HA HIS 27 HA HIS 27 -0.708 -5.026 10.636 174 HB2 HIS 27 1HB HIS 27 -1.664 -4.629 12.791 175 HB3 HIS 27 2HB HIS 27 -3.202 -4.136 12.089 176 HD1 HIS 27 1HD HIS 27 -1.133 -7.192 12.797 177 HD2 HIS 27 2HD HIS 27 -4.946 -6.202 11.476 178 HE1 HIS 27 1HE HIS 27 -2.432 -9.345 12.817 179 HE2 HIS 27 2HE HIS 27 -4.711 -8.737 11.932 180 H VAL 28 H VAL 28 -0.978 -4.785 8.228 181 HA VAL 28 HA VAL 28 -3.496 -4.907 6.988 182 HB VAL 28 HB VAL 28 -0.812 -5.904 6.034 183 HG11 VAL 28 1HG1 VAL 28 -1.968 -5.680 3.749 184 HG12 VAL 28 2HG1 VAL 28 -2.317 -7.110 4.721 185 HG13 VAL 28 3HG1 VAL 28 -3.473 -5.780 4.661 186 HG21 VAL 28 1HG2 VAL 28 -2.355 -3.358 5.583 187 HG22 VAL 28 2HG2 VAL 28 -0.772 -3.545 6.340 188 HG23 VAL 28 3HG2 VAL 28 -0.963 -3.835 4.610 189 H SER 29 H SER 29 -4.903 -6.403 7.770 190 HA SER 29 HA SER 29 -4.032 -9.209 7.839 191 HB2 SER 29 1HB SER 29 -5.188 -7.954 9.843 192 HB3 SER 29 2HB SER 29 -6.664 -8.300 8.943 193 HG SER 29 HG SER 29 -5.164 -9.953 10.454 194 H ASP 30 H ASP 30 -5.744 -7.018 5.964 195 HA ASP 30 HA ASP 30 -6.586 -9.032 4.132 196 HB2 ASP 30 1HB ASP 30 -9.059 -8.099 4.292 197 HB3 ASP 30 2HB ASP 30 -8.523 -9.442 5.298 198 H LEU 31 H LEU 31 -8.233 -7.841 2.482 199 HA LEU 31 HA LEU 31 -6.953 -5.260 1.868 200 HB2 LEU 31 1HB LEU 31 -8.254 -7.119 -0.107 201 HB3 LEU 31 2HB LEU 31 -7.241 -5.718 -0.450 202 HG LEU 31 HG LEU 31 -6.095 -8.048 1.032 203 HD11 LEU 31 1HD1 LEU 31 -7.303 -8.851 -1.042 204 HD12 LEU 31 2HD1 LEU 31 -5.581 -9.217 -0.947 205 HD13 LEU 31 3HD1 LEU 31 -6.145 -7.896 -1.968 206 HD21 LEU 31 1HD2 LEU 31 -4.975 -6.005 -0.884 207 HD22 LEU 31 2HD2 LEU 31 -4.051 -7.297 -0.115 208 HD23 LEU 31 3HD2 LEU 31 -4.774 -6.023 0.869 209 H SER 32 H SER 32 -9.293 -5.641 3.551 210 HA SER 32 HA SER 32 -11.380 -4.403 1.884 211 HB2 SER 32 1HB SER 32 -11.695 -5.719 4.591 212 HB3 SER 32 2HB SER 32 -12.991 -5.134 3.548 213 HG SER 32 HG SER 32 -12.900 -6.943 2.498 214 H SER 33 H SER 33 -10.618 -4.319 5.360 215 HA SER 33 HA SER 33 -10.833 -1.383 5.236 216 HB2 SER 33 1HB SER 33 -12.502 -2.828 6.636 217 HB3 SER 33 2HB SER 33 -11.165 -2.940 7.782 218 HG SER 33 HG SER 33 -12.636 -1.145 8.125 219 H SER 34 H SER 34 -8.884 -4.081 6.196 220 HA SER 34 HA SER 34 -7.159 -3.133 8.059 221 HB2 SER 34 1HB SER 34 -6.825 -4.946 5.722 222 HB3 SER 34 2HB SER 34 -5.358 -4.381 6.522 223 HG SER 34 HG SER 34 -7.489 -5.891 7.596 224 H TRP 35 H TRP 35 -7.542 -1.966 4.839 225 HA TRP 35 HA TRP 35 -5.115 -0.325 5.080 226 HB2 TRP 35 1HB TRP 35 -6.830 -0.889 2.651 227 HB3 TRP 35 2HB TRP 35 -5.360 0.082 2.663 228 HD1 TRP 35 HD TRP 35 -6.346 -3.561 3.612 229 HE1 TRP 35 1HE TRP 35 -4.417 -5.106 2.894 230 HE3 TRP 35 3HE TRP 35 -3.109 -0.036 1.812 231 HZ2 TRP 35 2HZ TRP 35 -1.860 -4.863 1.721 232 HZ3 TRP 35 3HZ TRP 35 -0.942 -0.776 0.910 233 HH2 TRP 35 HH TRP 35 -0.332 -3.140 0.867 234 H ALA 36 H ALA 36 -8.574 -0.209 4.968 235 HA ALA 36 HA ALA 36 -9.245 2.274 4.145 236 HB1 ALA 36 1HB ALA 36 -11.063 1.112 4.890 237 HB2 ALA 36 2HB ALA 36 -10.255 0.570 6.362 238 HB3 ALA 36 3HB ALA 36 -10.848 2.227 6.240 239 H ASP 37 H ASP 37 -7.956 1.502 7.371 240 HA ASP 37 HA ASP 37 -8.034 3.862 8.664 241 HB2 ASP 37 1HB ASP 37 -5.601 2.068 8.507 242 HB3 ASP 37 2HB ASP 37 -5.910 3.265 9.762 243 H GLY 38 H GLY 38 -5.707 3.023 6.125 244 HA2 GLY 38 1HA GLY 38 -5.122 4.802 4.546 245 HA3 GLY 38 2HA GLY 38 -5.067 5.899 5.917 246 H LEU 39 H LEU 39 -3.639 4.217 7.700 247 HA LEU 39 HA LEU 39 -1.014 4.885 7.107 248 HB2 LEU 39 1HB LEU 39 -2.330 3.038 9.017 249 HB3 LEU 39 2HB LEU 39 -0.595 2.847 8.769 250 HG LEU 39 HG LEU 39 -1.865 5.458 9.571 251 HD11 LEU 39 1HD1 LEU 39 -1.385 4.983 11.835 252 HD12 LEU 39 2HD1 LEU 39 -0.517 3.505 11.419 253 HD13 LEU 39 3HD1 LEU 39 -2.268 3.587 11.215 254 HD21 LEU 39 1HD2 LEU 39 0.972 4.442 9.728 255 HD22 LEU 39 2HD2 LEU 39 0.403 6.028 10.251 256 HD23 LEU 39 3HD2 LEU 39 0.353 5.593 8.542 257 H ALA 40 H ALA 40 -2.658 1.762 6.683 258 HA ALA 40 HA ALA 40 -0.771 0.055 5.900 259 HB1 ALA 40 1HB ALA 40 -2.351 -0.819 4.163 260 HB2 ALA 40 2HB ALA 40 -3.058 -0.593 5.763 261 HB3 ALA 40 3HB ALA 40 -3.376 0.579 4.485 262 H LEU 41 H LEU 41 -2.290 2.151 3.441 263 HA LEU 41 HA LEU 41 -0.479 1.670 1.405 264 HB2 LEU 41 1HB LEU 41 -2.375 3.856 2.049 265 HB3 LEU 41 2HB LEU 41 -1.164 4.176 0.809 266 HG LEU 41 HG LEU 41 -2.852 1.720 0.606 267 HD11 LEU 41 1HD1 LEU 41 -3.996 3.864 -0.900 268 HD12 LEU 41 2HD1 LEU 41 -3.960 4.297 0.809 269 HD13 LEU 41 3HD1 LEU 41 -4.755 2.811 0.293 270 HD21 LEU 41 1HD2 LEU 41 -1.584 3.597 -1.385 271 HD22 LEU 41 2HD2 LEU 41 -2.554 2.183 -1.800 272 HD23 LEU 41 3HD2 LEU 41 -1.023 1.984 -0.948 273 H CYS 42 H CYS 42 -0.277 3.922 4.088 274 HA CYS 42 HA CYS 42 1.928 5.419 3.158 275 HB2 CYS 42 1HB CYS 42 1.268 4.877 6.053 276 HB3 CYS 42 2HB CYS 42 2.098 6.275 5.383 277 HG CYS 42 HG CYS 42 -1.072 5.708 4.345 278 H ALA 43 H ALA 43 1.788 2.741 5.509 279 HA ALA 43 HA ALA 43 4.505 2.469 5.973 280 HB1 ALA 43 1HB ALA 43 2.146 0.987 6.542 281 HB2 ALA 43 2HB ALA 43 3.384 -0.131 5.966 282 HB3 ALA 43 3HB ALA 43 3.716 0.918 7.344 283 H LEU 44 H LEU 44 2.523 1.009 3.423 284 HA LEU 44 HA LEU 44 4.484 -0.640 2.300 285 HB2 LEU 44 1HB LEU 44 2.267 -1.000 1.625 286 HB3 LEU 44 2HB LEU 44 2.038 0.691 1.182 287 HG LEU 44 HG LEU 44 3.779 0.213 -0.663 288 HD11 LEU 44 1HD1 LEU 44 2.827 -2.571 -0.670 289 HD12 LEU 44 2HD1 LEU 44 4.030 -2.178 0.556 290 HD13 LEU 44 3HD1 LEU 44 4.385 -1.899 -1.149 291 HD21 LEU 44 1HD2 LEU 44 1.492 -1.316 -1.502 292 HD22 LEU 44 2HD2 LEU 44 1.992 0.307 -1.977 293 HD23 LEU 44 3HD2 LEU 44 0.990 0.077 -0.544 294 H VAL 45 H VAL 45 3.597 2.714 1.547 295 HA VAL 45 HA VAL 45 5.476 3.037 -0.551 296 HB VAL 45 HB VAL 45 4.183 5.133 1.200 297 HG11 VAL 45 1HG1 VAL 45 5.213 6.737 0.031 298 HG12 VAL 45 2HG1 VAL 45 6.341 5.473 -0.462 299 HG13 VAL 45 3HG1 VAL 45 4.978 5.894 -1.500 300 HG21 VAL 45 1HG2 VAL 45 3.124 5.149 -1.402 301 HG22 VAL 45 2HG2 VAL 45 3.157 3.462 -0.892 302 HG23 VAL 45 3HG2 VAL 45 2.318 4.662 0.088 303 H TYR 46 H TYR 46 5.514 4.456 2.725 304 HA TYR 46 HA TYR 46 8.010 5.526 2.768 305 HB2 TYR 46 1HB TYR 46 6.482 4.114 4.947 306 HB3 TYR 46 2HB TYR 46 8.033 4.888 5.254 307 HD1 TYR 46 1HD TYR 46 8.058 7.381 4.020 308 HD2 TYR 46 2HD TYR 46 4.691 5.364 5.662 309 HE1 TYR 46 1HE TYR 46 6.923 9.541 4.331 310 HE2 TYR 46 2HE TYR 46 3.546 7.517 5.977 311 HH TYR 46 HH TYR 46 4.126 10.139 4.521 312 H ARG 47 H ARG 47 7.292 2.212 3.881 313 HA ARG 47 HA ARG 47 9.880 1.358 4.310 314 HB2 ARG 47 1HB ARG 47 7.623 0.156 4.730 315 HB3 ARG 47 2HB ARG 47 7.826 -0.471 3.100 316 HG2 ARG 47 1HG ARG 47 8.761 -2.155 4.326 317 HG3 ARG 47 2HG ARG 47 10.186 -1.170 3.991 318 HD2 ARG 47 1HD ARG 47 8.603 -0.603 6.448 319 HD3 ARG 47 2HD ARG 47 9.643 -2.026 6.426 320 HE ARG 47 HE ARG 47 10.467 0.710 6.587 321 HH11 ARG 47 2HH1 ARG 47 11.401 -2.473 5.530 322 HH12 ARG 47 1HH1 ARG 47 13.100 -2.152 5.641 323 HH21 ARG 47 2HH2 ARG 47 12.702 1.144 6.736 324 HH22 ARG 47 1HH2 ARG 47 13.839 -0.096 6.328 325 H LEU 48 H LEU 48 7.981 0.709 1.356 326 HA LEU 48 HA LEU 48 9.709 -0.496 -0.267 327 HB2 LEU 48 1HB LEU 48 7.784 1.713 -0.786 328 HB3 LEU 48 2HB LEU 48 8.857 1.212 -2.091 329 HG LEU 48 HG LEU 48 7.016 -0.679 -0.636 330 HD11 LEU 48 1HD1 LEU 48 6.571 0.875 -3.178 331 HD12 LEU 48 2HD1 LEU 48 5.623 0.955 -1.693 332 HD13 LEU 48 3HD1 LEU 48 5.601 -0.509 -2.675 333 HD21 LEU 48 1HD2 LEU 48 8.054 -2.252 -1.802 334 HD22 LEU 48 2HD2 LEU 48 9.147 -1.040 -2.471 335 HD23 LEU 48 3HD2 LEU 48 7.641 -1.425 -3.304 336 H GLN 49 H GLN 49 9.674 3.064 -0.001 337 HA GLN 49 HA GLN 49 12.512 3.045 -0.794 338 HB2 GLN 49 1HB GLN 49 10.593 4.199 -2.231 339 HB3 GLN 49 2HB GLN 49 10.867 5.509 -1.091 340 HG2 GLN 49 1HG GLN 49 13.155 4.253 -2.547 341 HG3 GLN 49 2HG GLN 49 12.161 5.490 -3.315 342 HE21 GLN 49 1HE2 GLN 49 11.708 7.348 -1.576 343 HE22 GLN 49 2HE2 GLN 49 13.153 8.002 -0.893 344 HA PRO 50 HA PRO 50 12.789 4.523 3.470 345 HB2 PRO 50 1HB PRO 50 15.455 4.051 3.683 346 HB3 PRO 50 2HB PRO 50 14.236 2.785 3.876 347 HG2 PRO 50 1HG PRO 50 15.914 3.451 1.488 348 HG3 PRO 50 2HG PRO 50 15.512 1.863 2.165 349 HD2 PRO 50 1HD PRO 50 14.243 2.889 0.005 350 HD3 PRO 50 2HD PRO 50 13.432 1.825 1.172 351 H GLY 51 H GLY 51 13.914 5.734 0.551 352 HA2 GLY 51 1HA GLY 51 15.637 7.794 1.599 353 HA3 GLY 51 2HA GLY 51 15.076 7.645 -0.059 354 H LEU 52 H LEU 52 12.263 7.542 0.650 355 HA LEU 52 HA LEU 52 11.709 10.315 0.618 356 HB2 LEU 52 1HB LEU 52 10.069 7.831 0.807 357 HB3 LEU 52 2HB LEU 52 9.309 9.390 1.118 358 HG LEU 52 HG LEU 52 10.852 9.073 -1.404 359 HD11 LEU 52 1HD1 LEU 52 8.313 7.649 -0.748 360 HD12 LEU 52 2HD1 LEU 52 9.700 7.100 -1.688 361 HD13 LEU 52 3HD1 LEU 52 8.574 8.269 -2.378 362 HD21 LEU 52 1HD2 LEU 52 8.707 10.376 -2.123 363 HD22 LEU 52 2HD2 LEU 52 9.980 11.195 -1.218 364 HD23 LEU 52 3HD2 LEU 52 8.524 10.641 -0.389 365 H LEU 53 H LEU 53 10.445 11.527 2.159 366 HA LEU 53 HA LEU 53 11.469 11.590 4.712 367 HB2 LEU 53 1HB LEU 53 9.699 13.083 5.286 368 HB3 LEU 53 2HB LEU 53 10.170 13.392 3.616 369 HG LEU 53 HG LEU 53 7.887 13.519 3.462 370 HD11 LEU 53 1HD1 LEU 53 7.039 11.396 2.506 371 HD12 LEU 53 2HD1 LEU 53 8.510 10.597 3.061 372 HD13 LEU 53 3HD1 LEU 53 8.605 11.882 1.857 373 HD21 LEU 53 1HD2 LEU 53 7.566 12.856 5.861 374 HD22 LEU 53 2HD2 LEU 53 7.542 11.176 5.324 375 HD23 LEU 53 3HD2 LEU 53 6.307 12.301 4.758 376 H GLU 54 H GLU 54 9.731 11.542 6.679 377 HA GLU 54 HA GLU 54 8.687 8.786 6.703 378 HB2 GLU 54 1HB GLU 54 10.191 10.374 8.726 379 HB3 GLU 54 2HB GLU 54 8.980 9.241 9.309 380 HG2 GLU 54 1HG GLU 54 10.131 7.480 7.920 381 HG3 GLU 54 2HG GLU 54 11.431 8.646 7.682 382 HA PRO 55 HA PRO 55 4.669 10.214 7.729 383 HB2 PRO 55 1HB PRO 55 3.845 8.395 9.569 384 HB3 PRO 55 2HB PRO 55 4.018 8.013 7.851 385 HG2 PRO 55 1HG PRO 55 5.894 7.448 10.115 386 HG3 PRO 55 2HG PRO 55 5.417 6.399 8.769 387 HD2 PRO 55 1HD PRO 55 7.763 7.750 8.802 388 HD3 PRO 55 2HD PRO 55 6.882 7.405 7.301 389 H SER 56 H SER 56 7.175 10.610 9.797 390 HA SER 56 HA SER 56 6.474 10.996 12.328 391 HB2 SER 56 1HB SER 56 8.564 11.861 11.034 392 HB3 SER 56 2HB SER 56 7.661 13.371 10.921 393 HG SER 56 HG SER 56 8.110 13.743 12.933 394 H GLU 57 H GLU 57 5.244 12.901 9.646 395 HA GLU 57 HA GLU 57 3.722 14.628 11.423 396 HB2 GLU 57 1HB GLU 57 3.783 14.522 8.402 397 HB3 GLU 57 2HB GLU 57 3.014 15.768 9.375 398 HG2 GLU 57 1HG GLU 57 5.245 16.322 10.318 399 HG3 GLU 57 2HG GLU 57 5.956 15.178 9.181 400 H LEU 58 H LEU 58 3.149 12.096 9.021 401 HA LEU 58 HA LEU 58 0.385 12.158 8.904 402 HB2 LEU 58 1HB LEU 58 2.442 10.047 8.535 403 HB3 LEU 58 2HB LEU 58 0.757 9.545 8.651 404 HG LEU 58 HG LEU 58 0.237 11.047 6.738 405 HD11 LEU 58 1HD1 LEU 58 1.750 12.657 6.373 406 HD12 LEU 58 2HD1 LEU 58 2.606 11.422 5.452 407 HD13 LEU 58 3HD1 LEU 58 3.055 11.742 7.126 408 HD21 LEU 58 1HD2 LEU 58 1.291 8.518 6.735 409 HD22 LEU 58 2HD2 LEU 58 2.326 9.363 5.585 410 HD23 LEU 58 3HD2 LEU 58 0.579 9.332 5.343 411 H GLN 59 H GLN 59 2.479 10.893 11.396 412 HA GLN 59 HA GLN 59 0.899 9.180 12.802 413 HB2 GLN 59 1HB GLN 59 2.851 11.269 13.714 414 HB3 GLN 59 2HB GLN 59 1.985 10.290 14.890 415 HG2 GLN 59 1HG GLN 59 3.730 9.221 12.683 416 HG3 GLN 59 2HG GLN 59 4.205 9.396 14.371 417 HE21 GLN 59 1HE2 GLN 59 3.962 7.024 12.611 418 HE22 GLN 59 2HE2 GLN 59 2.927 5.933 13.461 419 H GLY 60 H GLY 60 0.930 12.723 13.256 420 HA2 GLY 60 1HA GLY 60 -1.694 12.480 14.577 421 HA3 GLY 60 2HA GLY 60 -0.571 13.813 14.801 422 H LEU 61 H LEU 61 -2.068 12.222 11.980 423 HA LEU 61 HA LEU 61 -2.867 14.900 11.042 424 HB2 LEU 61 1HB LEU 61 -1.739 12.541 9.641 425 HB3 LEU 61 2HB LEU 61 -2.944 13.497 8.779 426 HG LEU 61 HG LEU 61 -0.304 14.490 9.853 427 HD11 LEU 61 1HD1 LEU 61 0.568 14.155 7.826 428 HD12 LEU 61 2HD1 LEU 61 -0.881 14.732 7.005 429 HD13 LEU 61 3HD1 LEU 61 -0.791 13.062 7.565 430 HD21 LEU 61 1HD2 LEU 61 -1.202 16.519 9.813 431 HD22 LEU 61 2HD2 LEU 61 -2.725 15.888 9.185 432 HD23 LEU 61 3HD2 LEU 61 -1.429 16.336 8.074 433 H GLY 62 H GLY 62 -3.776 11.557 10.191 434 HA2 GLY 62 1HA GLY 62 -6.226 11.320 11.331 435 HA3 GLY 62 2HA GLY 62 -6.542 12.335 9.931 436 H ALA 63 H ALA 63 -7.665 9.775 10.335 437 HA ALA 63 HA ALA 63 -6.371 7.657 9.099 438 HB1 ALA 63 1HB ALA 63 -9.214 7.778 8.471 439 HB2 ALA 63 2HB ALA 63 -8.308 6.586 9.403 440 HB3 ALA 63 3HB ALA 63 -8.862 8.072 10.173 441 H LEU 64 H LEU 64 -8.178 10.329 7.674 442 HA LEU 64 HA LEU 64 -7.914 9.265 4.997 443 HB2 LEU 64 1HB LEU 64 -9.797 10.781 6.067 444 HB3 LEU 64 2HB LEU 64 -8.734 12.076 5.517 445 HG LEU 64 HG LEU 64 -8.925 11.272 3.222 446 HD11 LEU 64 1HD1 LEU 64 -9.804 8.897 4.462 447 HD12 LEU 64 2HD1 LEU 64 -9.574 9.210 2.742 448 HD13 LEU 64 3HD1 LEU 64 -11.144 9.502 3.489 449 HD21 LEU 64 1HD2 LEU 64 -11.745 11.396 4.169 450 HD22 LEU 64 2HD2 LEU 64 -10.968 12.225 2.820 451 HD23 LEU 64 3HD2 LEU 64 -10.686 12.774 4.472 452 H GLU 65 H GLU 65 -6.672 12.067 6.803 453 HA GLU 65 HA GLU 65 -5.168 13.332 4.928 454 HB2 GLU 65 1HB GLU 65 -4.546 12.779 7.823 455 HB3 GLU 65 2HB GLU 65 -3.518 13.798 6.826 456 HG2 GLU 65 1HG GLU 65 -6.450 14.289 7.286 457 HG3 GLU 65 2HG GLU 65 -5.155 15.040 8.217 458 H ALA 66 H ALA 66 -4.385 10.319 6.570 459 HA ALA 66 HA ALA 66 -1.722 10.069 5.713 460 HB1 ALA 66 1HB ALA 66 -3.254 8.663 7.392 461 HB2 ALA 66 2HB ALA 66 -3.321 7.598 5.988 462 HB3 ALA 66 3HB ALA 66 -1.763 8.029 6.693 463 H THR 67 H THR 67 -4.420 8.092 4.492 464 HA THR 67 HA THR 67 -3.362 7.009 2.285 465 HB THR 67 HB THR 67 -6.090 8.312 2.255 466 HG1 THR 67 1HG THR 67 -6.061 6.992 4.028 467 HG21 THR 67 1HG2 THR 67 -6.573 6.276 0.793 468 HG22 THR 67 2HG2 THR 67 -4.824 6.094 0.664 469 HG23 THR 67 3HG2 THR 67 -5.604 7.561 0.074 470 H ALA 68 H ALA 68 -4.367 10.372 2.580 471 HA ALA 68 HA ALA 68 -4.235 11.184 -0.063 472 HB1 ALA 68 1HB ALA 68 -4.992 12.546 1.907 473 HB2 ALA 68 2HB ALA 68 -3.291 12.848 2.262 474 HB3 ALA 68 3HB ALA 68 -3.987 13.406 0.741 475 H TRP 69 H TRP 69 -1.607 11.287 2.348 476 HA TRP 69 HA TRP 69 0.392 12.172 0.596 477 HB2 TRP 69 1HB TRP 69 0.746 12.299 2.970 478 HB3 TRP 69 2HB TRP 69 0.567 10.555 3.143 479 HD1 TRP 69 HD TRP 69 3.082 13.218 2.075 480 HE1 TRP 69 1HE TRP 69 5.408 12.132 1.885 481 HE3 TRP 69 3HE TRP 69 1.742 8.318 2.656 482 HZ2 TRP 69 2HZ TRP 69 6.526 9.543 1.971 483 HZ3 TRP 69 3HZ TRP 69 3.500 6.599 2.589 484 HH2 TRP 69 HH TRP 69 5.842 7.201 2.253 485 H ALA 70 H ALA 70 -0.103 8.859 1.834 486 HA ALA 70 HA ALA 70 1.723 7.445 0.459 487 HB1 ALA 70 1HB ALA 70 0.413 5.547 0.731 488 HB2 ALA 70 2HB ALA 70 -0.198 6.633 1.981 489 HB3 ALA 70 3HB ALA 70 -1.094 6.429 0.475 490 H LEU 71 H LEU 71 -1.499 8.209 -0.876 491 HA LEU 71 HA LEU 71 -1.053 7.169 -3.429 492 HB2 LEU 71 1HB LEU 71 -2.898 9.266 -2.352 493 HB3 LEU 71 2HB LEU 71 -2.845 8.919 -4.079 494 HG LEU 71 HG LEU 71 -3.385 6.779 -2.039 495 HD11 LEU 71 1HD1 LEU 71 -5.613 8.040 -3.539 496 HD12 LEU 71 2HD1 LEU 71 -4.991 8.881 -2.119 497 HD13 LEU 71 3HD1 LEU 71 -5.613 7.238 -1.968 498 HD21 LEU 71 1HD2 LEU 71 -4.559 6.711 -4.730 499 HD22 LEU 71 2HD2 LEU 71 -3.791 5.432 -3.791 500 HD23 LEU 71 3HD2 LEU 71 -2.800 6.593 -4.675 501 H LYS 72 H LYS 72 -0.151 10.223 -2.009 502 HA LYS 72 HA LYS 72 0.487 11.530 -4.469 503 HB2 LYS 72 1HB LYS 72 -0.032 12.609 -2.198 504 HB3 LYS 72 2HB LYS 72 1.633 12.234 -1.775 505 HG2 LYS 72 1HG LYS 72 2.410 13.571 -3.673 506 HG3 LYS 72 2HG LYS 72 0.736 13.960 -4.075 507 HD2 LYS 72 1HD LYS 72 1.832 14.540 -1.347 508 HD3 LYS 72 2HD LYS 72 2.119 15.651 -2.687 509 HE2 LYS 72 1HE LYS 72 0.181 16.430 -1.570 510 HE3 LYS 72 2HE LYS 72 -0.374 15.663 -3.057 511 HZ1 LYS 72 1HZ LYS 72 -1.416 14.038 -1.933 512 HZ2 LYS 72 2HZ LYS 72 -1.407 15.152 -0.661 513 HZ3 LYS 72 3HZ LYS 72 -0.232 13.937 -0.729 514 H VAL 73 H VAL 73 2.695 10.654 -1.812 515 HA VAL 73 HA VAL 73 5.059 10.806 -3.204 516 HB VAL 73 HB VAL 73 4.300 8.971 -0.935 517 HG11 VAL 73 1HG1 VAL 73 7.012 9.169 -0.805 518 HG12 VAL 73 2HG1 VAL 73 6.134 7.797 -1.484 519 HG13 VAL 73 3HG1 VAL 73 6.748 9.066 -2.545 520 HG21 VAL 73 1HG2 VAL 73 5.601 11.659 -1.161 521 HG22 VAL 73 2HG2 VAL 73 4.254 11.155 -0.140 522 HG23 VAL 73 3HG2 VAL 73 5.895 10.633 0.242 523 H ALA 74 H ALA 74 2.660 8.286 -3.285 524 HA ALA 74 HA ALA 74 4.321 6.318 -4.532 525 HB1 ALA 74 1HB ALA 74 2.141 5.166 -4.979 526 HB2 ALA 74 2HB ALA 74 2.448 5.544 -3.284 527 HB3 ALA 74 3HB ALA 74 1.335 6.540 -4.222 528 H GLU 75 H GLU 75 2.003 8.730 -5.665 529 HA GLU 75 HA GLU 75 2.216 7.890 -8.414 530 HB2 GLU 75 1HB GLU 75 0.137 8.877 -7.514 531 HB3 GLU 75 2HB GLU 75 0.988 10.392 -7.240 532 HG2 GLU 75 1HG GLU 75 0.822 9.154 -9.963 533 HG3 GLU 75 2HG GLU 75 -0.460 10.187 -9.331 534 H ASN 76 H ASN 76 4.028 9.849 -6.326 535 HA ASN 76 HA ASN 76 5.161 11.438 -8.506 536 HB2 ASN 76 1HB ASN 76 5.246 11.629 -5.514 537 HB3 ASN 76 2HB ASN 76 6.487 12.427 -6.476 538 HD21 ASN 76 1HD2 ASN 76 4.073 13.281 -4.788 539 HD22 ASN 76 2HD2 ASN 76 3.288 14.454 -5.784 540 H GLU 77 H GLU 77 6.482 9.661 -5.704 541 HA GLU 77 HA GLU 77 9.027 9.318 -6.954 542 HB2 GLU 77 1HB GLU 77 7.760 8.481 -4.398 543 HB3 GLU 77 2HB GLU 77 9.144 7.549 -4.950 544 HG2 GLU 77 1HG GLU 77 9.029 10.474 -4.289 545 HG3 GLU 77 2HG GLU 77 9.976 9.212 -3.502 546 H LEU 78 H LEU 78 6.682 6.864 -5.849 547 HA LEU 78 HA LEU 78 7.831 4.788 -7.393 548 HB2 LEU 78 1HB LEU 78 4.991 4.833 -6.418 549 HB3 LEU 78 2HB LEU 78 6.042 3.439 -6.663 550 HG LEU 78 HG LEU 78 6.301 5.503 -4.477 551 HD11 LEU 78 1HD1 LEU 78 5.042 4.192 -3.200 552 HD12 LEU 78 2HD1 LEU 78 5.939 2.751 -3.677 553 HD13 LEU 78 3HD1 LEU 78 4.595 3.319 -4.667 554 HD21 LEU 78 1HD2 LEU 78 7.906 3.000 -4.988 555 HD22 LEU 78 2HD2 LEU 78 8.070 4.079 -3.602 556 HD23 LEU 78 3HD2 LEU 78 8.476 4.653 -5.221 557 H GLY 79 H GLY 79 5.508 7.253 -8.096 558 HA2 GLY 79 1HA GLY 79 4.564 7.874 -10.103 559 HA3 GLY 79 2HA GLY 79 5.552 6.646 -10.880 560 H ILE 80 H ILE 80 3.687 5.429 -8.328 561 HA ILE 80 HA ILE 80 2.118 3.833 -10.108 562 HB ILE 80 HB ILE 80 1.916 4.136 -7.109 563 HG12 ILE 80 1HG1 ILE 80 4.106 3.296 -7.932 564 HG13 ILE 80 2HG1 ILE 80 3.225 2.098 -6.990 565 HG21 ILE 80 1HG2 ILE 80 0.315 2.551 -7.059 566 HG22 ILE 80 2HG2 ILE 80 0.004 3.103 -8.705 567 HG23 ILE 80 3HG2 ILE 80 0.995 1.671 -8.428 568 HD11 ILE 80 1HD1 ILE 80 2.529 1.786 -9.727 569 HD12 ILE 80 2HD1 ILE 80 4.286 1.850 -9.586 570 HD13 ILE 80 3HD1 ILE 80 3.370 0.663 -8.657 571 H THR 81 H THR 81 0.806 5.214 -11.296 572 HA THR 81 HA THR 81 -0.692 7.345 -10.551 573 HB THR 81 HB THR 81 -1.512 5.109 -12.410 574 HG1 THR 81 1HG THR 81 -0.025 7.469 -12.631 575 HG21 THR 81 1HG2 THR 81 -2.730 7.644 -13.003 576 HG22 THR 81 2HG2 THR 81 -3.150 7.141 -11.366 577 HG23 THR 81 3HG2 THR 81 -3.493 6.078 -12.730 578 HA PRO 82 HA PRO 82 -3.419 5.863 -7.389 579 HB2 PRO 82 1HB PRO 82 -4.999 8.067 -7.256 580 HB3 PRO 82 2HB PRO 82 -3.371 8.009 -6.569 581 HG2 PRO 82 1HG PRO 82 -4.287 9.165 -9.175 582 HG3 PRO 82 2HG PRO 82 -3.144 9.832 -7.995 583 HD2 PRO 82 1HD PRO 82 -2.338 8.583 -10.258 584 HD3 PRO 82 2HD PRO 82 -1.405 8.522 -8.748 585 H VAL 83 H VAL 83 -4.538 4.198 -8.399 586 HA VAL 83 HA VAL 83 -6.534 4.676 -10.395 587 HB VAL 83 HB VAL 83 -5.174 2.515 -9.993 588 HG11 VAL 83 1HG1 VAL 83 -7.438 1.501 -8.406 589 HG12 VAL 83 2HG1 VAL 83 -5.722 1.098 -8.327 590 HG13 VAL 83 3HG1 VAL 83 -6.322 2.563 -7.549 591 HG21 VAL 83 1HG2 VAL 83 -7.881 1.565 -10.369 592 HG22 VAL 83 2HG2 VAL 83 -7.587 3.057 -11.262 593 HG23 VAL 83 3HG2 VAL 83 -6.549 1.655 -11.522 594 H VAL 84 H VAL 84 -6.493 4.442 -6.922 595 HA VAL 84 HA VAL 84 -9.429 4.717 -6.890 596 HB VAL 84 HB VAL 84 -7.609 3.514 -4.801 597 HG11 VAL 84 1HG1 VAL 84 -9.378 4.860 -3.761 598 HG12 VAL 84 2HG1 VAL 84 -10.590 3.959 -4.672 599 HG13 VAL 84 3HG1 VAL 84 -9.603 3.138 -3.464 600 HG21 VAL 84 1HG2 VAL 84 -7.966 1.839 -6.349 601 HG22 VAL 84 2HG2 VAL 84 -9.304 1.580 -5.230 602 HG23 VAL 84 3HG2 VAL 84 -9.582 2.415 -6.758 603 H SER 85 H SER 85 -10.348 6.163 -5.364 604 HA SER 85 HA SER 85 -8.688 8.492 -4.884 605 HB2 SER 85 1HB SER 85 -10.736 9.649 -4.385 606 HB3 SER 85 2HB SER 85 -11.022 8.651 -5.809 607 HG SER 85 HG SER 85 -12.407 8.652 -3.603 608 H ALA 86 H ALA 86 -7.792 9.017 -3.000 609 HA ALA 86 HA ALA 86 -7.366 7.474 -0.870 610 HB1 ALA 86 1HB ALA 86 -6.786 10.024 -1.380 611 HB2 ALA 86 2HB ALA 86 -8.015 10.269 -0.138 612 HB3 ALA 86 3HB ALA 86 -6.582 9.305 0.217 613 H GLN 87 H GLN 87 -10.282 9.421 -1.334 614 HA GLN 87 HA GLN 87 -11.463 8.924 1.165 615 HB2 GLN 87 1HB GLN 87 -12.197 10.675 -0.449 616 HB3 GLN 87 2HB GLN 87 -12.874 9.407 -1.463 617 HG2 GLN 87 1HG GLN 87 -14.193 8.764 0.679 618 HG3 GLN 87 2HG GLN 87 -13.799 10.404 1.191 619 HE21 GLN 87 1HE2 GLN 87 -16.119 10.707 1.166 620 HE22 GLN 87 2HE2 GLN 87 -16.907 11.093 -0.322 621 H ALA 88 H ALA 88 -11.904 7.281 -1.961 622 HA ALA 88 HA ALA 88 -13.774 5.387 -1.170 623 HB1 ALA 88 1HB ALA 88 -12.928 4.025 -3.061 624 HB2 ALA 88 2HB ALA 88 -13.239 5.707 -3.492 625 HB3 ALA 88 3HB ALA 88 -11.585 5.156 -3.229 626 H VAL 89 H VAL 89 -10.228 5.199 -1.081 627 HA VAL 89 HA VAL 89 -9.894 2.596 -0.242 628 HB VAL 89 HB VAL 89 -8.297 5.013 0.613 629 HG11 VAL 89 1HG1 VAL 89 -6.881 3.692 1.728 630 HG12 VAL 89 2HG1 VAL 89 -8.178 2.494 1.709 631 HG13 VAL 89 3HG1 VAL 89 -6.917 2.451 0.476 632 HG21 VAL 89 1HG2 VAL 89 -6.835 4.502 -1.212 633 HG22 VAL 89 2HG2 VAL 89 -7.725 3.024 -1.580 634 HG23 VAL 89 3HG2 VAL 89 -8.479 4.597 -1.843 635 H VAL 90 H VAL 90 -10.168 5.462 1.866 636 HA VAL 90 HA VAL 90 -10.254 3.998 4.280 637 HB VAL 90 HB VAL 90 -11.353 6.762 3.745 638 HG11 VAL 90 1HG1 VAL 90 -11.527 7.087 6.003 639 HG12 VAL 90 2HG1 VAL 90 -11.913 5.367 5.910 640 HG13 VAL 90 3HG1 VAL 90 -10.294 5.883 6.383 641 HG21 VAL 90 1HG2 VAL 90 -8.633 5.731 3.942 642 HG22 VAL 90 2HG2 VAL 90 -9.215 7.283 3.337 643 HG23 VAL 90 3HG2 VAL 90 -8.961 7.050 5.066 644 H ALA 91 H ALA 91 -12.851 5.551 2.397 645 HA ALA 91 HA ALA 91 -14.988 4.754 4.009 646 HB1 ALA 91 1HB ALA 91 -14.640 6.019 1.473 647 HB2 ALA 91 2HB ALA 91 -15.908 4.799 1.345 648 HB3 ALA 91 3HB ALA 91 -16.028 6.070 2.560 649 H GLY 92 H GLY 92 -12.921 2.848 2.166 650 HA2 GLY 92 1HA GLY 92 -12.986 0.666 1.440 651 HA3 GLY 92 2HA GLY 92 -14.007 0.416 2.849 652 H SER 93 H SER 93 -15.213 2.619 0.530 653 HA SER 93 HA SER 93 -17.487 0.986 0.008 654 HB2 SER 93 1HB SER 93 -16.649 3.499 -1.455 655 HB3 SER 93 2HB SER 93 -18.272 2.813 -1.362 656 HG SER 93 HG SER 93 -18.020 4.522 0.116 657 H ASP 94 H ASP 94 -14.498 1.640 -1.669 658 HA ASP 94 HA ASP 94 -15.376 -0.131 -3.855 659 HB2 ASP 94 1HB ASP 94 -13.213 1.975 -4.010 660 HB3 ASP 94 2HB ASP 94 -13.871 1.029 -5.341 661 HA PRO 95 HA PRO 95 -12.126 -2.481 -1.639 662 HB2 PRO 95 1HB PRO 95 -13.191 -4.907 -2.227 663 HB3 PRO 95 2HB PRO 95 -13.731 -3.927 -0.858 664 HG2 PRO 95 1HG PRO 95 -14.960 -4.233 -3.570 665 HG3 PRO 95 2HG PRO 95 -15.748 -4.200 -1.982 666 HD2 PRO 95 1HD PRO 95 -15.685 -2.046 -3.623 667 HD3 PRO 95 2HD PRO 95 -15.673 -1.899 -1.853 668 H LEU 96 H LEU 96 -13.565 -3.121 -4.820 669 HA LEU 96 HA LEU 96 -11.484 -4.692 -5.856 670 HB2 LEU 96 1HB LEU 96 -13.608 -2.985 -7.095 671 HB3 LEU 96 2HB LEU 96 -12.382 -3.757 -8.097 672 HG LEU 96 HG LEU 96 -13.218 -5.907 -6.763 673 HD11 LEU 96 1HD1 LEU 96 -15.823 -4.500 -7.064 674 HD12 LEU 96 2HD1 LEU 96 -14.883 -4.248 -5.595 675 HD13 LEU 96 3HD1 LEU 96 -15.391 -5.875 -6.047 676 HD21 LEU 96 1HD2 LEU 96 -15.079 -5.899 -8.710 677 HD22 LEU 96 2HD2 LEU 96 -13.368 -6.221 -8.990 678 HD23 LEU 96 3HD2 LEU 96 -14.023 -4.609 -9.283 679 H GLY 97 H GLY 97 -12.068 -1.189 -6.078 680 HA2 GLY 97 1HA GLY 97 -10.004 -0.426 -7.717 681 HA3 GLY 97 2HA GLY 97 -10.589 0.546 -6.376 682 H LEU 98 H LEU 98 -9.780 -0.483 -4.155 683 HA LEU 98 HA LEU 98 -7.107 0.089 -3.898 684 HB2 LEU 98 1HB LEU 98 -8.567 -0.049 -1.991 685 HB3 LEU 98 2HB LEU 98 -8.805 -1.776 -2.250 686 HG LEU 98 HG LEU 98 -6.446 -2.171 -1.679 687 HD11 LEU 98 1HD1 LEU 98 -5.053 -0.429 -0.813 688 HD12 LEU 98 2HD1 LEU 98 -6.357 0.749 -0.945 689 HD13 LEU 98 3HD1 LEU 98 -5.635 0.068 -2.402 690 HD21 LEU 98 1HD2 LEU 98 -7.996 -2.426 0.095 691 HD22 LEU 98 2HD2 LEU 98 -8.139 -0.682 0.316 692 HD23 LEU 98 3HD2 LEU 98 -6.639 -1.506 0.744 693 H ILE 99 H ILE 99 -8.500 -3.196 -3.983 694 HA ILE 99 HA ILE 99 -6.244 -4.714 -3.923 695 HB ILE 99 HB ILE 99 -8.655 -5.172 -5.683 696 HG12 ILE 99 1HG1 ILE 99 -8.039 -6.459 -3.029 697 HG13 ILE 99 2HG1 ILE 99 -8.920 -4.939 -3.136 698 HG21 ILE 99 1HG2 ILE 99 -7.997 -7.447 -5.876 699 HG22 ILE 99 2HG2 ILE 99 -6.602 -6.467 -6.324 700 HG23 ILE 99 3HG2 ILE 99 -6.671 -7.227 -4.734 701 HD11 ILE 99 1HD1 ILE 99 -9.794 -7.427 -4.568 702 HD12 ILE 99 2HD1 ILE 99 -10.310 -7.024 -2.931 703 HD13 ILE 99 3HD1 ILE 99 -10.717 -5.954 -4.272 704 H ALA 100 H ALA 100 -7.626 -3.154 -6.796 705 HA ALA 100 HA ALA 100 -5.671 -4.126 -8.606 706 HB1 ALA 100 1HB ALA 100 -6.524 -2.060 -9.962 707 HB2 ALA 100 2HB ALA 100 -7.584 -3.443 -9.684 708 HB3 ALA 100 3HB ALA 100 -7.752 -1.991 -8.699 709 H TYR 101 H TYR 101 -6.010 -1.072 -6.831 710 HA TYR 101 HA TYR 101 -3.898 0.344 -7.900 711 HB2 TYR 101 1HB TYR 101 -5.550 1.221 -6.249 712 HB3 TYR 101 2HB TYR 101 -4.707 0.331 -4.986 713 HD1 TYR 101 1HD TYR 101 -3.384 2.363 -7.823 714 HD2 TYR 101 2HD TYR 101 -3.717 1.911 -3.605 715 HE1 TYR 101 1HE TYR 101 -1.863 4.270 -7.504 716 HE2 TYR 101 2HE TYR 101 -2.200 3.818 -3.275 717 HH TYR 101 HH TYR 101 -0.736 5.204 -4.296 718 H LEU 102 H LEU 102 -3.795 -1.733 -5.002 719 HA LEU 102 HA LEU 102 -1.095 -1.554 -4.455 720 HB2 LEU 102 1HB LEU 102 -2.820 -4.007 -4.157 721 HB3 LEU 102 2HB LEU 102 -1.312 -3.683 -3.304 722 HG LEU 102 HG LEU 102 -3.863 -2.101 -2.993 723 HD11 LEU 102 1HD1 LEU 102 -2.647 -3.877 -0.915 724 HD12 LEU 102 2HD1 LEU 102 -3.751 -4.530 -2.126 725 HD13 LEU 102 3HD1 LEU 102 -4.295 -3.257 -1.033 726 HD21 LEU 102 1HD2 LEU 102 -2.580 -1.294 -0.932 727 HD22 LEU 102 2HD2 LEU 102 -2.107 -0.638 -2.499 728 HD23 LEU 102 3HD2 LEU 102 -1.140 -1.907 -1.746 729 H SER 103 H SER 103 -2.734 -3.942 -6.525 730 HA SER 103 HA SER 103 -0.770 -5.598 -7.289 731 HB2 SER 103 1HB SER 103 -3.155 -5.402 -8.225 732 HB3 SER 103 2HB SER 103 -2.470 -4.285 -9.406 733 HG SER 103 HG SER 103 -1.763 -7.000 -8.990 734 H HIS 104 H HIS 104 -1.176 -2.294 -8.503 735 HA HIS 104 HA HIS 104 0.853 -2.271 -10.403 736 HB2 HIS 104 1HB HIS 104 -0.113 -0.028 -8.618 737 HB3 HIS 104 2HB HIS 104 0.915 0.192 -10.030 738 HD1 HIS 104 1HD HIS 104 -0.811 1.573 -11.315 739 HD2 HIS 104 2HD HIS 104 -2.183 -2.188 -10.207 740 HE1 HIS 104 1HE HIS 104 -2.957 1.240 -12.583 741 HE2 HIS 104 2HE HIS 104 -3.812 -1.006 -11.832 742 H PHE 105 H PHE 105 1.011 -1.575 -6.929 743 HA PHE 105 HA PHE 105 3.691 -0.798 -6.804 744 HB2 PHE 105 1HB PHE 105 1.850 -2.075 -4.791 745 HB3 PHE 105 2HB PHE 105 3.514 -1.666 -4.389 746 HD1 PHE 105 1HD PHE 105 0.376 -0.181 -5.715 747 HD2 PHE 105 2HD PHE 105 4.039 0.464 -3.647 748 HE1 PHE 105 1HE PHE 105 -0.320 2.124 -5.209 749 HE2 PHE 105 2HE PHE 105 3.350 2.770 -3.137 750 HZ PHE 105 HZ PHE 105 1.167 3.603 -3.918 751 H HIS 106 H HIS 106 2.395 -3.977 -5.830 752 HA HIS 106 HA HIS 106 4.792 -5.313 -5.578 753 HB2 HIS 106 1HB HIS 106 2.596 -6.234 -4.906 754 HB3 HIS 106 2HB HIS 106 2.194 -6.477 -6.603 755 HD1 HIS 106 1HD HIS 106 2.022 -9.018 -6.420 756 HD2 HIS 106 2HD HIS 106 5.709 -7.517 -5.230 757 HE1 HIS 106 1HE HIS 106 3.524 -11.022 -6.197 758 HE2 HIS 106 2HE HIS 106 5.725 -10.098 -5.394 759 H SER 107 H SER 107 2.681 -5.398 -8.456 760 HA SER 107 HA SER 107 4.050 -6.858 -10.214 761 HB2 SER 107 1HB SER 107 1.997 -5.362 -10.627 762 HB3 SER 107 2HB SER 107 3.157 -4.108 -11.064 763 HG SER 107 HG SER 107 3.628 -5.146 -12.855 764 H ALA 108 H ALA 108 4.987 -3.617 -9.190 765 HA ALA 108 HA ALA 108 7.314 -3.615 -10.924 766 HB1 ALA 108 1HB ALA 108 7.651 -1.384 -10.272 767 HB2 ALA 108 2HB ALA 108 5.900 -1.570 -10.376 768 HB3 ALA 108 3HB ALA 108 6.695 -1.582 -8.802 769 H PHE 109 H PHE 109 6.653 -3.611 -7.429 770 HA PHE 109 HA PHE 109 9.463 -4.171 -6.883 771 HB2 PHE 109 1HB PHE 109 7.117 -3.542 -5.088 772 HB3 PHE 109 2HB PHE 109 8.706 -3.986 -4.473 773 HD1 PHE 109 1HD PHE 109 7.031 -1.532 -6.712 774 HD2 PHE 109 2HD PHE 109 10.291 -2.346 -4.098 775 HE1 PHE 109 1HE PHE 109 7.743 0.817 -6.874 776 HE2 PHE 109 2HE PHE 109 11.008 0.003 -4.255 777 HZ PHE 109 HZ PHE 109 9.733 1.587 -5.644 778 H LYS 110 H LYS 110 8.146 -6.208 -8.249 779 HA LYS 110 HA LYS 110 7.166 -8.220 -6.483 780 HB2 LYS 110 1HB LYS 110 7.962 -8.120 -9.364 781 HB3 LYS 110 2HB LYS 110 7.753 -9.686 -8.593 782 HG2 LYS 110 1HG LYS 110 5.471 -8.587 -7.822 783 HG3 LYS 110 2HG LYS 110 5.742 -7.619 -9.273 784 HD2 LYS 110 1HD LYS 110 5.972 -10.608 -9.351 785 HD3 LYS 110 2HD LYS 110 4.398 -9.819 -9.472 786 HE2 LYS 110 1HE LYS 110 5.040 -10.067 -11.692 787 HE3 LYS 110 2HE LYS 110 5.497 -8.404 -11.325 788 HZ1 LYS 110 1HZ LYS 110 7.377 -10.695 -11.177 789 HZ2 LYS 110 2HZ LYS 110 7.757 -9.050 -11.077 790 HZ3 LYS 110 3HZ LYS 110 7.212 -9.705 -12.539 791 H SER 111 H SER 111 8.228 -9.732 -5.356 792 HA SER 111 HA SER 111 10.871 -10.608 -6.067 793 HB2 SER 111 1HB SER 111 11.140 -8.388 -4.779 794 HB3 SER 111 2HB SER 111 10.627 -9.304 -3.362 795 HG SER 111 HG SER 111 12.890 -9.772 -5.005 796 H GLY 112 H GLY 112 11.739 -12.091 -4.217 797 HA2 GLY 112 1HA GLY 112 11.020 -13.475 -2.311 798 HA3 GLY 112 2HA GLY 112 9.442 -13.566 -3.082 799 HA PRO 113 HA PRO 113 11.593 -17.459 -4.196 800 HB2 PRO 113 1HB PRO 113 9.336 -18.968 -4.135 801 HB3 PRO 113 2HB PRO 113 10.288 -18.603 -2.691 802 HG2 PRO 113 1HG PRO 113 7.778 -17.307 -3.682 803 HG3 PRO 113 2HG PRO 113 8.216 -17.779 -2.030 804 HD2 PRO 113 1HD PRO 113 8.403 -15.228 -2.914 805 HD3 PRO 113 2HD PRO 113 9.511 -15.902 -1.702 806 H SER 114 H SER 114 9.177 -15.512 -5.595 807 HA SER 114 HA SER 114 8.794 -17.159 -7.945 808 HB2 SER 114 1HB SER 114 6.894 -15.873 -7.218 809 HB3 SER 114 2HB SER 114 7.836 -14.382 -7.223 810 HG SER 114 HG SER 114 7.582 -15.884 -9.585 811 H SER 115 H SER 115 9.746 -16.910 -9.896 812 HA SER 115 HA SER 115 11.739 -14.754 -10.152 813 HB2 SER 115 1HB SER 115 13.082 -16.319 -11.530 814 HB3 SER 115 2HB SER 115 12.853 -16.908 -9.884 815 HG SER 115 HG SER 115 11.065 -17.674 -11.913 816 H GLY 116 H GLY 116 12.133 -13.952 -12.291 817 HA2 GLY 116 1HA GLY 116 11.259 -12.953 -14.183 818 HA3 GLY 116 2HA GLY 116 11.010 -14.625 -14.663 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -13.093 -27.598 -4.961 2 HA2 GLY 1 1HA GLY 1 -12.496 -29.988 -4.844 3 HA3 GLY 1 2HA GLY 1 -13.136 -29.594 -6.433 4 H SER 2 H SER 2 -10.033 -29.522 -4.677 5 HA SER 2 HA SER 2 -7.964 -30.282 -5.259 6 HB2 SER 2 1HB SER 2 -9.371 -32.251 -6.160 7 HB3 SER 2 2HB SER 2 -9.120 -31.523 -7.747 8 HG SER 2 HG SER 2 -7.119 -32.181 -7.725 9 H SER 3 H SER 3 -8.737 -27.710 -5.965 10 HA SER 3 HA SER 3 -7.311 -27.330 -8.517 11 HB2 SER 3 1HB SER 3 -8.698 -25.492 -9.062 12 HB3 SER 3 2HB SER 3 -9.805 -26.735 -8.476 13 HG SER 3 HG SER 3 -10.221 -25.571 -6.742 14 H GLY 4 H GLY 4 -6.160 -25.248 -8.695 15 HA2 GLY 4 1HA GLY 4 -5.437 -24.012 -6.143 16 HA3 GLY 4 2HA GLY 4 -4.152 -24.790 -7.055 17 H SER 5 H SER 5 -5.825 -21.931 -6.544 18 HA SER 5 HA SER 5 -5.440 -20.801 -9.169 19 HB2 SER 5 1HB SER 5 -6.207 -18.688 -8.079 20 HB3 SER 5 2HB SER 5 -7.327 -20.032 -7.860 21 HG SER 5 HG SER 5 -5.365 -19.650 -5.915 22 H SER 6 H SER 6 -3.231 -20.942 -9.567 23 HA SER 6 HA SER 6 -1.161 -20.231 -7.865 24 HB2 SER 6 1HB SER 6 -1.306 -19.980 -10.879 25 HB3 SER 6 2HB SER 6 0.180 -19.877 -9.934 26 HG SER 6 HG SER 6 -0.525 -22.039 -9.111 27 H GLY 7 H GLY 7 -3.030 -18.203 -10.092 28 HA2 GLY 7 1HA GLY 7 -1.653 -15.833 -9.012 29 HA3 GLY 7 2HA GLY 7 -2.524 -15.892 -10.536 30 H THR 8 H THR 8 -2.744 -15.397 -7.133 31 HA THR 8 HA THR 8 -5.445 -14.355 -7.471 32 HB THR 8 HB THR 8 -5.890 -16.623 -6.747 33 HG1 THR 8 1HG THR 8 -6.825 -16.036 -4.590 34 HG21 THR 8 1HG2 THR 8 -4.058 -17.501 -5.686 35 HG22 THR 8 2HG2 THR 8 -5.048 -17.099 -4.282 36 HG23 THR 8 3HG2 THR 8 -3.741 -16.023 -4.776 37 H GLN 9 H GLN 9 -6.103 -12.926 -5.766 38 HA GLN 9 HA GLN 9 -4.243 -11.095 -4.945 39 HB2 GLN 9 1HB GLN 9 -6.785 -11.817 -3.476 40 HB3 GLN 9 2HB GLN 9 -5.895 -10.308 -3.313 41 HG2 GLN 9 1HG GLN 9 -6.511 -9.570 -5.427 42 HG3 GLN 9 2HG GLN 9 -6.939 -11.191 -5.972 43 HE21 GLN 9 1HE2 GLN 9 -9.004 -10.798 -6.578 44 HE22 GLN 9 2HE2 GLN 9 -10.257 -10.321 -5.490 45 H GLU 10 H GLU 10 -4.888 -14.191 -3.582 46 HA GLU 10 HA GLU 10 -4.170 -14.023 -0.965 47 HB2 GLU 10 1HB GLU 10 -4.707 -16.095 -2.433 48 HB3 GLU 10 2HB GLU 10 -2.969 -16.175 -2.681 49 HG2 GLU 10 1HG GLU 10 -2.643 -16.323 -0.255 50 HG3 GLU 10 2HG GLU 10 -4.391 -16.291 -0.031 51 H GLU 11 H GLU 11 -1.882 -14.395 -3.673 52 HA GLU 11 HA GLU 11 0.437 -14.156 -2.066 53 HB2 GLU 11 1HB GLU 11 0.170 -15.097 -4.470 54 HB3 GLU 11 2HB GLU 11 0.366 -13.426 -4.978 55 HG2 GLU 11 1HG GLU 11 2.495 -13.494 -3.500 56 HG3 GLU 11 2HG GLU 11 2.330 -15.241 -3.659 57 H LEU 12 H LEU 12 -1.459 -11.834 -3.932 58 HA LEU 12 HA LEU 12 0.226 -9.632 -3.791 59 HB2 LEU 12 1HB LEU 12 -1.743 -9.617 -5.167 60 HB3 LEU 12 2HB LEU 12 -2.784 -9.776 -3.754 61 HG LEU 12 HG LEU 12 -2.010 -7.511 -3.029 62 HD11 LEU 12 1HD1 LEU 12 -0.530 -6.278 -4.183 63 HD12 LEU 12 2HD1 LEU 12 -1.115 -6.846 -5.746 64 HD13 LEU 12 3HD1 LEU 12 -0.001 -7.840 -4.808 65 HD21 LEU 12 1HD2 LEU 12 -3.738 -8.193 -5.264 66 HD22 LEU 12 2HD2 LEU 12 -3.136 -6.536 -5.349 67 HD23 LEU 12 3HD2 LEU 12 -4.010 -7.086 -3.918 68 H LEU 13 H LEU 13 -2.150 -10.805 -1.447 69 HA LEU 13 HA LEU 13 -1.857 -8.636 0.361 70 HB2 LEU 13 1HB LEU 13 -3.827 -9.797 0.655 71 HB3 LEU 13 2HB LEU 13 -3.046 -11.368 0.490 72 HG LEU 13 HG LEU 13 -1.968 -10.845 2.764 73 HD11 LEU 13 1HD1 LEU 13 -4.342 -9.083 3.175 74 HD12 LEU 13 2HD1 LEU 13 -2.842 -8.404 2.544 75 HD13 LEU 13 3HD1 LEU 13 -2.854 -9.205 4.115 76 HD21 LEU 13 1HD2 LEU 13 -3.578 -12.103 3.762 77 HD22 LEU 13 2HD2 LEU 13 -4.064 -12.330 2.081 78 HD23 LEU 13 3HD2 LEU 13 -4.901 -11.148 3.089 79 H ARG 14 H ARG 14 -0.480 -11.909 0.264 80 HA ARG 14 HA ARG 14 0.964 -11.815 2.642 81 HB2 ARG 14 1HB ARG 14 1.788 -13.215 0.092 82 HB3 ARG 14 2HB ARG 14 2.323 -13.606 1.722 83 HG2 ARG 14 1HG ARG 14 -0.591 -13.656 1.164 84 HG3 ARG 14 2HG ARG 14 0.408 -14.961 0.518 85 HD2 ARG 14 1HD ARG 14 0.557 -14.126 3.399 86 HD3 ARG 14 2HD ARG 14 -0.640 -15.290 2.832 87 HE ARG 14 HE ARG 14 1.689 -16.293 1.893 88 HH11 ARG 14 2HH1 ARG 14 0.635 -15.242 5.040 89 HH12 ARG 14 1HH1 ARG 14 1.657 -16.349 5.896 90 HH21 ARG 14 2HH2 ARG 14 3.038 -17.757 3.008 91 HH22 ARG 14 1HH2 ARG 14 3.023 -17.779 4.739 92 H TRP 15 H TRP 15 1.953 -10.863 -0.633 93 HA TRP 15 HA TRP 15 4.593 -10.169 -0.057 94 HB2 TRP 15 1HB TRP 15 3.839 -10.358 -2.345 95 HB3 TRP 15 2HB TRP 15 2.690 -9.041 -2.118 96 HD1 TRP 15 HD TRP 15 6.494 -9.650 -2.347 97 HE1 TRP 15 1HE TRP 15 7.612 -7.463 -3.114 98 HE3 TRP 15 3HE TRP 15 2.404 -6.582 -2.283 99 HZ2 TRP 15 2HZ TRP 15 6.861 -4.790 -3.623 100 HZ3 TRP 15 3HZ TRP 15 2.690 -4.223 -2.923 101 HH2 TRP 15 HH TRP 15 4.873 -3.347 -3.578 102 H CYS 16 H CYS 16 1.698 -8.095 -0.126 103 HA CYS 16 HA CYS 16 2.937 -5.710 0.609 104 HB2 CYS 16 1HB CYS 16 0.125 -6.698 1.099 105 HB3 CYS 16 2HB CYS 16 0.647 -5.056 1.451 106 HG CYS 16 HG CYS 16 0.125 -6.534 -1.551 107 H GLN 17 H GLN 17 1.755 -8.375 2.573 108 HA GLN 17 HA GLN 17 1.887 -7.133 5.083 109 HB2 GLN 17 1HB GLN 17 2.022 -9.985 4.166 110 HB3 GLN 17 2HB GLN 17 2.290 -9.589 5.858 111 HG2 GLN 17 1HG GLN 17 0.068 -8.372 5.776 112 HG3 GLN 17 2HG GLN 17 -0.187 -9.163 4.221 113 HE21 GLN 17 1HE2 GLN 17 -2.020 -9.700 5.999 114 HE22 GLN 17 2HE2 GLN 17 -1.830 -11.271 6.690 115 H GLU 18 H GLU 18 4.337 -8.758 3.145 116 HA GLU 18 HA GLU 18 6.344 -8.816 5.146 117 HB2 GLU 18 1HB GLU 18 6.416 -9.012 2.144 118 HB3 GLU 18 2HB GLU 18 7.887 -9.036 3.104 119 HG2 GLU 18 1HG GLU 18 5.629 -10.944 3.601 120 HG3 GLU 18 2HG GLU 18 6.900 -11.272 2.425 121 H GLN 19 H GLN 19 5.410 -6.460 2.713 122 HA GLN 19 HA GLN 19 7.681 -4.760 3.168 123 HB2 GLN 19 1HB GLN 19 5.070 -4.177 1.760 124 HB3 GLN 19 2HB GLN 19 6.512 -3.173 1.704 125 HG2 GLN 19 1HG GLN 19 6.123 -5.914 0.545 126 HG3 GLN 19 2HG GLN 19 6.450 -4.406 -0.307 127 HE21 GLN 19 1HE2 GLN 19 7.784 -7.211 0.775 128 HE22 GLN 19 2HE2 GLN 19 9.448 -6.747 0.802 129 H THR 20 H THR 20 4.188 -4.330 3.762 130 HA THR 20 HA THR 20 4.391 -2.009 5.290 131 HB THR 20 HB THR 20 2.163 -2.642 6.233 132 HG1 THR 20 1HG THR 20 2.957 -5.078 5.544 133 HG21 THR 20 1HG2 THR 20 2.668 -2.763 3.273 134 HG22 THR 20 2HG2 THR 20 2.058 -1.417 4.235 135 HG23 THR 20 3HG2 THR 20 1.035 -2.822 3.935 136 H ALA 21 H ALA 21 5.162 -5.254 6.096 137 HA ALA 21 HA ALA 21 4.743 -5.401 8.814 138 HB1 ALA 21 1HB ALA 21 5.803 -7.334 8.565 139 HB2 ALA 21 2HB ALA 21 6.174 -6.868 6.904 140 HB3 ALA 21 3HB ALA 21 7.318 -6.508 8.198 141 H GLY 22 H GLY 22 6.117 -5.036 10.642 142 HA2 GLY 22 1HA GLY 22 7.908 -4.018 11.774 143 HA3 GLY 22 2HA GLY 22 8.368 -3.215 10.281 144 H TYR 23 H TYR 23 6.356 -1.754 9.495 145 HA TYR 23 HA TYR 23 6.345 0.517 10.990 146 HB2 TYR 23 1HB TYR 23 5.357 0.068 8.641 147 HB3 TYR 23 2HB TYR 23 3.862 -0.291 9.498 148 HD1 TYR 23 2HD TYR 23 3.463 1.632 11.466 149 HD2 TYR 23 1HD TYR 23 5.388 2.169 7.711 150 HE1 TYR 23 2HE TYR 23 2.923 4.031 11.539 151 HE2 TYR 23 1HE TYR 23 4.856 4.569 7.773 152 HH TYR 23 HH TYR 23 2.948 6.000 8.988 153 HA PRO 24 HA PRO 24 4.050 -0.525 14.637 154 HB2 PRO 24 1HB PRO 24 3.914 1.989 15.654 155 HB3 PRO 24 2HB PRO 24 5.382 1.007 15.713 156 HG2 PRO 24 1HG PRO 24 4.639 3.190 13.805 157 HG3 PRO 24 2HG PRO 24 6.193 2.882 14.602 158 HD2 PRO 24 1HD PRO 24 5.707 2.174 12.035 159 HD3 PRO 24 2HD PRO 24 6.784 1.242 13.094 160 H GLY 25 H GLY 25 1.946 -0.996 14.513 161 HA2 GLY 25 1HA GLY 25 -0.315 -0.233 14.819 162 HA3 GLY 25 2HA GLY 25 0.076 1.182 13.854 163 H VAL 26 H VAL 26 1.341 -0.074 11.690 164 HA VAL 26 HA VAL 26 -0.909 -0.816 10.138 165 HB VAL 26 HB VAL 26 2.033 -1.099 9.511 166 HG11 VAL 26 1HG1 VAL 26 -0.414 -1.367 7.779 167 HG12 VAL 26 2HG1 VAL 26 1.207 -1.103 7.133 168 HG13 VAL 26 3HG1 VAL 26 0.853 -2.561 8.060 169 HG21 VAL 26 1HG2 VAL 26 2.063 1.079 9.059 170 HG22 VAL 26 2HG2 VAL 26 0.604 0.956 8.077 171 HG23 VAL 26 3HG2 VAL 26 0.476 1.196 9.819 172 H HIS 27 H HIS 27 -1.951 -2.677 10.433 173 HA HIS 27 HA HIS 27 -0.355 -5.147 10.570 174 HB2 HIS 27 1HB HIS 27 -2.491 -5.968 11.909 175 HB3 HIS 27 2HB HIS 27 -1.154 -5.161 12.724 176 HD1 HIS 27 1HD HIS 27 -1.752 -3.171 14.083 177 HD2 HIS 27 2HD HIS 27 -4.691 -4.101 11.298 178 HE1 HIS 27 1HE HIS 27 -3.656 -1.601 14.565 179 HE2 HIS 27 2HE HIS 27 -5.456 -2.240 12.923 180 H VAL 28 H VAL 28 -0.791 -4.817 8.169 181 HA VAL 28 HA VAL 28 -3.284 -5.027 6.990 182 HB VAL 28 HB VAL 28 -0.676 -6.203 6.024 183 HG11 VAL 28 1HG1 VAL 28 -2.404 -7.279 4.809 184 HG12 VAL 28 2HG1 VAL 28 -3.304 -5.773 4.622 185 HG13 VAL 28 3HG1 VAL 28 -1.778 -6.003 3.766 186 HG21 VAL 28 1HG2 VAL 28 -0.591 -4.157 4.634 187 HG22 VAL 28 2HG2 VAL 28 -2.019 -3.557 5.479 188 HG23 VAL 28 3HG2 VAL 28 -0.516 -3.820 6.363 189 H SER 29 H SER 29 -4.737 -6.440 7.828 190 HA SER 29 HA SER 29 -3.957 -9.255 8.096 191 HB2 SER 29 1HB SER 29 -5.085 -8.058 10.014 192 HB3 SER 29 2HB SER 29 -6.534 -7.966 9.013 193 HG SER 29 HG SER 29 -5.850 -10.447 8.881 194 H ASP 30 H ASP 30 -6.107 -7.110 6.363 195 HA ASP 30 HA ASP 30 -6.515 -9.060 4.306 196 HB2 ASP 30 1HB ASP 30 -9.036 -8.134 5.662 197 HB3 ASP 30 2HB ASP 30 -8.824 -9.450 4.512 198 H LEU 31 H LEU 31 -7.255 -8.153 2.393 199 HA LEU 31 HA LEU 31 -6.960 -5.306 2.194 200 HB2 LEU 31 1HB LEU 31 -7.524 -7.506 0.238 201 HB3 LEU 31 2HB LEU 31 -7.628 -5.814 -0.243 202 HG LEU 31 HG LEU 31 -5.276 -5.497 0.275 203 HD11 LEU 31 1HD1 LEU 31 -4.638 -6.837 2.000 204 HD12 LEU 31 2HD1 LEU 31 -4.033 -7.801 0.654 205 HD13 LEU 31 3HD1 LEU 31 -5.566 -8.220 1.419 206 HD21 LEU 31 1HD2 LEU 31 -6.293 -7.308 -1.727 207 HD22 LEU 31 2HD2 LEU 31 -4.632 -7.708 -1.292 208 HD23 LEU 31 3HD2 LEU 31 -5.030 -6.085 -1.854 209 H SER 32 H SER 32 -8.981 -5.492 3.862 210 HA SER 32 HA SER 32 -11.340 -4.820 2.233 211 HB2 SER 32 1HB SER 32 -11.363 -7.046 3.639 212 HB3 SER 32 2HB SER 32 -11.673 -5.953 4.987 213 HG SER 32 HG SER 32 -13.588 -5.447 4.165 214 H SER 33 H SER 33 -10.325 -4.608 5.647 215 HA SER 33 HA SER 33 -10.979 -1.735 5.559 216 HB2 SER 33 1HB SER 33 -11.477 -3.722 7.783 217 HB3 SER 33 2HB SER 33 -11.605 -1.975 7.989 218 HG SER 33 HG SER 33 -13.403 -3.680 6.977 219 H SER 34 H SER 34 -8.655 -4.110 6.189 220 HA SER 34 HA SER 34 -7.115 -2.941 8.213 221 HB2 SER 34 1HB SER 34 -6.926 -5.262 6.940 222 HB3 SER 34 2HB SER 34 -5.751 -4.371 5.972 223 HG SER 34 HG SER 34 -5.709 -4.636 8.800 224 H TRP 35 H TRP 35 -7.566 -2.050 4.923 225 HA TRP 35 HA TRP 35 -5.252 -0.239 5.028 226 HB2 TRP 35 1HB TRP 35 -6.918 -1.091 2.650 227 HB3 TRP 35 2HB TRP 35 -5.503 -0.042 2.592 228 HD1 TRP 35 HD TRP 35 -6.349 -3.676 3.669 229 HE1 TRP 35 1HE TRP 35 -4.311 -5.153 3.128 230 HE3 TRP 35 3HE TRP 35 -3.164 -0.066 1.952 231 HZ2 TRP 35 2HZ TRP 35 -1.699 -4.829 2.109 232 HZ3 TRP 35 3HZ TRP 35 -0.913 -0.732 1.213 233 HH2 TRP 35 HH TRP 35 -0.198 -3.066 1.292 234 H ALA 36 H ALA 36 -8.656 -0.345 5.189 235 HA ALA 36 HA ALA 36 -9.502 2.032 4.093 236 HB1 ALA 36 1HB ALA 36 -11.227 0.745 4.895 237 HB2 ALA 36 2HB ALA 36 -10.421 0.428 6.432 238 HB3 ALA 36 3HB ALA 36 -11.147 2.006 6.127 239 H ASP 37 H ASP 37 -7.787 1.501 7.110 240 HA ASP 37 HA ASP 37 -8.156 3.979 8.325 241 HB2 ASP 37 1HB ASP 37 -7.129 2.286 9.617 242 HB3 ASP 37 2HB ASP 37 -5.878 2.010 8.408 243 H GLY 38 H GLY 38 -5.377 2.962 6.321 244 HA2 GLY 38 1HA GLY 38 -4.908 4.652 4.475 245 HA3 GLY 38 2HA GLY 38 -4.859 5.817 5.789 246 H LEU 39 H LEU 39 -3.495 4.221 7.687 247 HA LEU 39 HA LEU 39 -0.853 4.813 7.141 248 HB2 LEU 39 1HB LEU 39 -2.235 3.017 9.057 249 HB3 LEU 39 2HB LEU 39 -0.494 2.820 8.864 250 HG LEU 39 HG LEU 39 -1.811 5.430 9.597 251 HD11 LEU 39 1HD1 LEU 39 -0.438 3.496 11.450 252 HD12 LEU 39 2HD1 LEU 39 -2.188 3.628 11.287 253 HD13 LEU 39 3HD1 LEU 39 -1.251 5.002 11.874 254 HD21 LEU 39 1HD2 LEU 39 1.052 4.492 9.744 255 HD22 LEU 39 2HD2 LEU 39 0.448 6.063 10.273 256 HD23 LEU 39 3HD2 LEU 39 0.393 5.626 8.564 257 H ALA 40 H ALA 40 -2.539 1.716 6.719 258 HA ALA 40 HA ALA 40 -0.630 -0.026 6.028 259 HB1 ALA 40 1HB ALA 40 -2.880 -0.724 5.878 260 HB2 ALA 40 2HB ALA 40 -3.245 0.466 4.629 261 HB3 ALA 40 3HB ALA 40 -2.206 -0.910 4.259 262 H LEU 41 H LEU 41 -2.104 2.063 3.535 263 HA LEU 41 HA LEU 41 -0.263 1.506 1.523 264 HB2 LEU 41 1HB LEU 41 -2.196 3.689 2.065 265 HB3 LEU 41 2HB LEU 41 -0.973 3.975 0.829 266 HG LEU 41 HG LEU 41 -2.799 1.584 0.776 267 HD11 LEU 41 1HD1 LEU 41 -4.271 3.448 0.734 268 HD12 LEU 41 2HD1 LEU 41 -4.087 2.895 -0.930 269 HD13 LEU 41 3HD1 LEU 41 -3.225 4.332 -0.377 270 HD21 LEU 41 1HD2 LEU 41 -1.607 2.879 -1.617 271 HD22 LEU 41 2HD2 LEU 41 -1.982 1.183 -1.316 272 HD23 LEU 41 3HD2 LEU 41 -0.555 1.915 -0.582 273 H CYS 42 H CYS 42 -0.151 3.866 4.123 274 HA CYS 42 HA CYS 42 2.028 5.382 3.199 275 HB2 CYS 42 1HB CYS 42 1.388 4.841 6.099 276 HB3 CYS 42 2HB CYS 42 2.176 6.258 5.417 277 HG CYS 42 HG CYS 42 -0.964 5.619 4.354 278 H ALA 43 H ALA 43 1.890 2.532 5.308 279 HA ALA 43 HA ALA 43 4.642 2.382 5.863 280 HB1 ALA 43 1HB ALA 43 3.796 -0.223 5.972 281 HB2 ALA 43 2HB ALA 43 3.682 0.950 7.285 282 HB3 ALA 43 3HB ALA 43 2.301 0.680 6.223 283 H LEU 44 H LEU 44 2.680 0.769 3.373 284 HA LEU 44 HA LEU 44 4.697 -0.759 2.212 285 HB2 LEU 44 1HB LEU 44 2.487 -1.230 1.584 286 HB3 LEU 44 2HB LEU 44 2.174 0.442 1.124 287 HG LEU 44 HG LEU 44 3.826 0.073 -0.772 288 HD11 LEU 44 1HD1 LEU 44 4.740 -2.035 0.308 289 HD12 LEU 44 2HD1 LEU 44 4.396 -2.112 -1.419 290 HD13 LEU 44 3HD1 LEU 44 3.277 -2.836 -0.265 291 HD21 LEU 44 1HD2 LEU 44 1.221 -0.024 -0.783 292 HD22 LEU 44 2HD2 LEU 44 1.475 -1.749 -1.047 293 HD23 LEU 44 3HD2 LEU 44 2.129 -0.576 -2.191 294 H VAL 45 H VAL 45 3.708 2.576 1.572 295 HA VAL 45 HA VAL 45 5.491 2.973 -0.612 296 HB VAL 45 HB VAL 45 4.155 4.997 1.190 297 HG11 VAL 45 1HG1 VAL 45 4.894 5.819 -1.513 298 HG12 VAL 45 2HG1 VAL 45 5.093 6.662 0.024 299 HG13 VAL 45 3HG1 VAL 45 6.277 5.456 -0.480 300 HG21 VAL 45 1HG2 VAL 45 3.077 4.990 -1.416 301 HG22 VAL 45 2HG2 VAL 45 3.152 3.309 -0.887 302 HG23 VAL 45 3HG2 VAL 45 2.292 4.503 0.086 303 H TYR 46 H TYR 46 5.573 4.253 2.720 304 HA TYR 46 HA TYR 46 8.035 5.451 2.686 305 HB2 TYR 46 1HB TYR 46 6.565 4.012 4.881 306 HB3 TYR 46 2HB TYR 46 8.130 4.761 5.173 307 HD1 TYR 46 1HD TYR 46 8.171 7.273 3.987 308 HD2 TYR 46 2HD TYR 46 4.797 5.271 5.634 309 HE1 TYR 46 1HE TYR 46 7.068 9.442 4.349 310 HE2 TYR 46 2HE TYR 46 3.686 7.434 6.000 311 HH TYR 46 HH TYR 46 4.021 9.686 6.083 312 H ARG 47 H ARG 47 7.368 2.061 3.549 313 HA ARG 47 HA ARG 47 9.996 1.268 4.022 314 HB2 ARG 47 1HB ARG 47 7.471 -0.125 3.297 315 HB3 ARG 47 2HB ARG 47 8.970 -1.023 3.099 316 HG2 ARG 47 1HG ARG 47 8.174 0.339 5.660 317 HG3 ARG 47 2HG ARG 47 7.814 -1.349 5.290 318 HD2 ARG 47 1HD ARG 47 9.777 -1.629 6.410 319 HD3 ARG 47 2HD ARG 47 10.409 -1.409 4.779 320 HE ARG 47 HE ARG 47 10.162 1.014 6.337 321 HH11 ARG 47 2HH1 ARG 47 12.208 -1.635 5.379 322 HH12 ARG 47 1HH1 ARG 47 13.682 -0.795 5.731 323 HH21 ARG 47 2HH2 ARG 47 12.096 2.129 6.806 324 HH22 ARG 47 1HH2 ARG 47 13.617 1.345 6.544 325 H LEU 48 H LEU 48 8.126 0.572 1.063 326 HA LEU 48 HA LEU 48 9.963 -0.467 -0.575 327 HB2 LEU 48 1HB LEU 48 7.909 1.637 -1.163 328 HB3 LEU 48 2HB LEU 48 8.918 0.958 -2.438 329 HG LEU 48 HG LEU 48 7.165 -0.734 -0.669 330 HD11 LEU 48 1HD1 LEU 48 5.727 -0.765 -2.821 331 HD12 LEU 48 2HD1 LEU 48 6.516 0.773 -3.169 332 HD13 LEU 48 3HD1 LEU 48 5.565 0.584 -1.696 333 HD21 LEU 48 1HD2 LEU 48 8.069 -1.377 -3.443 334 HD22 LEU 48 2HD2 LEU 48 7.607 -2.463 -2.133 335 HD23 LEU 48 3HD2 LEU 48 9.158 -1.627 -2.080 336 H GLN 49 H GLN 49 9.746 2.972 0.225 337 HA GLN 49 HA GLN 49 12.474 3.300 -0.825 338 HB2 GLN 49 1HB GLN 49 10.447 4.345 -2.161 339 HB3 GLN 49 2HB GLN 49 10.563 5.591 -0.925 340 HG2 GLN 49 1HG GLN 49 12.817 6.088 -1.543 341 HG3 GLN 49 2HG GLN 49 12.868 4.713 -2.644 342 HE21 GLN 49 1HE2 GLN 49 12.675 7.936 -2.568 343 HE22 GLN 49 2HE2 GLN 49 11.798 8.235 -4.026 344 HA PRO 50 HA PRO 50 12.736 4.537 3.522 345 HB2 PRO 50 1HB PRO 50 15.431 4.240 3.660 346 HB3 PRO 50 2HB PRO 50 14.306 2.884 3.804 347 HG2 PRO 50 1HG PRO 50 15.882 3.793 1.427 348 HG3 PRO 50 2HG PRO 50 15.604 2.146 2.021 349 HD2 PRO 50 1HD PRO 50 14.222 3.197 -0.056 350 HD3 PRO 50 2HD PRO 50 13.511 2.019 1.066 351 H GLY 51 H GLY 51 14.339 5.770 0.681 352 HA2 GLY 51 1HA GLY 51 15.721 7.938 1.811 353 HA3 GLY 51 2HA GLY 51 15.151 7.849 0.151 354 H LEU 52 H LEU 52 12.426 7.770 0.488 355 HA LEU 52 HA LEU 52 11.733 10.438 0.716 356 HB2 LEU 52 1HB LEU 52 10.201 7.885 0.808 357 HB3 LEU 52 2HB LEU 52 9.373 9.387 1.213 358 HG LEU 52 HG LEU 52 10.892 9.265 -1.343 359 HD11 LEU 52 1HD1 LEU 52 9.800 7.281 -1.730 360 HD12 LEU 52 2HD1 LEU 52 8.609 8.443 -2.312 361 HD13 LEU 52 3HD1 LEU 52 8.423 7.714 -0.716 362 HD21 LEU 52 1HD2 LEU 52 9.961 11.334 -1.123 363 HD22 LEU 52 2HD2 LEU 52 8.600 10.744 -0.169 364 HD23 LEU 52 3HD2 LEU 52 8.623 10.501 -1.916 365 H LEU 53 H LEU 53 10.460 11.569 2.298 366 HA LEU 53 HA LEU 53 11.483 11.572 4.852 367 HB2 LEU 53 1HB LEU 53 9.693 13.015 5.470 368 HB3 LEU 53 2HB LEU 53 10.136 13.376 3.803 369 HG LEU 53 HG LEU 53 7.837 13.462 3.715 370 HD11 LEU 53 1HD1 LEU 53 8.617 11.930 2.016 371 HD12 LEU 53 2HD1 LEU 53 7.044 11.407 2.616 372 HD13 LEU 53 3HD1 LEU 53 8.509 10.579 3.144 373 HD21 LEU 53 1HD2 LEU 53 7.555 12.664 6.065 374 HD22 LEU 53 2HD2 LEU 53 7.622 11.011 5.455 375 HD23 LEU 53 3HD2 LEU 53 6.320 12.087 4.946 376 H GLU 54 H GLU 54 9.829 11.388 6.842 377 HA GLU 54 HA GLU 54 8.802 8.628 6.762 378 HB2 GLU 54 1HB GLU 54 10.332 10.147 8.813 379 HB3 GLU 54 2HB GLU 54 9.129 8.999 9.385 380 HG2 GLU 54 1HG GLU 54 11.142 8.156 7.351 381 HG3 GLU 54 2HG GLU 54 11.587 8.247 9.054 382 HA PRO 55 HA PRO 55 4.783 9.953 7.911 383 HB2 PRO 55 1HB PRO 55 4.018 8.056 9.697 384 HB3 PRO 55 2HB PRO 55 4.167 7.740 7.964 385 HG2 PRO 55 1HG PRO 55 6.090 7.121 10.173 386 HG3 PRO 55 2HG PRO 55 5.605 6.114 8.797 387 HD2 PRO 55 1HD PRO 55 7.932 7.499 8.841 388 HD3 PRO 55 2HD PRO 55 7.030 7.195 7.343 389 H SER 56 H SER 56 7.318 10.305 9.954 390 HA SER 56 HA SER 56 6.637 10.590 12.508 391 HB2 SER 56 1HB SER 56 7.977 12.750 10.863 392 HB3 SER 56 2HB SER 56 8.009 12.658 12.624 393 HG SER 56 HG SER 56 8.832 10.366 12.037 394 H GLU 57 H GLU 57 5.358 12.551 9.900 395 HA GLU 57 HA GLU 57 3.874 14.247 11.737 396 HB2 GLU 57 1HB GLU 57 3.897 14.185 8.714 397 HB3 GLU 57 2HB GLU 57 3.098 15.397 9.706 398 HG2 GLU 57 1HG GLU 57 5.082 16.411 9.046 399 HG3 GLU 57 2HG GLU 57 5.404 15.862 10.690 400 H LEU 58 H LEU 58 3.184 11.880 9.179 401 HA LEU 58 HA LEU 58 0.459 11.892 9.132 402 HB2 LEU 58 1HB LEU 58 2.504 9.772 8.780 403 HB3 LEU 58 2HB LEU 58 0.824 9.261 8.936 404 HG LEU 58 HG LEU 58 0.254 10.702 7.001 405 HD11 LEU 58 1HD1 LEU 58 3.119 11.386 7.259 406 HD12 LEU 58 2HD1 LEU 58 1.758 12.369 6.716 407 HD13 LEU 58 3HD1 LEU 58 2.486 11.191 5.623 408 HD21 LEU 58 1HD2 LEU 58 2.150 9.197 5.575 409 HD22 LEU 58 2HD2 LEU 58 0.470 8.779 5.914 410 HD23 LEU 58 3HD2 LEU 58 1.748 8.257 7.013 411 H GLN 59 H GLN 59 2.537 10.493 11.595 412 HA GLN 59 HA GLN 59 0.943 8.865 13.032 413 HB2 GLN 59 1HB GLN 59 2.157 9.470 15.004 414 HB3 GLN 59 2HB GLN 59 3.264 9.584 13.643 415 HG2 GLN 59 1HG GLN 59 2.954 12.009 13.599 416 HG3 GLN 59 2HG GLN 59 1.859 11.888 14.975 417 HE21 GLN 59 1HE2 GLN 59 4.947 10.297 14.292 418 HE22 GLN 59 2HE2 GLN 59 5.754 10.870 15.708 419 H GLY 60 H GLY 60 0.862 12.417 13.208 420 HA2 GLY 60 1HA GLY 60 -1.391 12.389 15.016 421 HA3 GLY 60 2HA GLY 60 -0.637 13.808 14.306 422 H LEU 61 H LEU 61 -0.867 13.029 11.582 423 HA LEU 61 HA LEU 61 -3.224 14.146 10.809 424 HB2 LEU 61 1HB LEU 61 -1.529 12.057 9.483 425 HB3 LEU 61 2HB LEU 61 -2.973 12.696 8.702 426 HG LEU 61 HG LEU 61 -0.674 14.424 9.602 427 HD11 LEU 61 1HD1 LEU 61 0.510 13.626 7.904 428 HD12 LEU 61 2HD1 LEU 61 -0.709 14.288 6.816 429 HD13 LEU 61 3HD1 LEU 61 -0.834 12.618 7.367 430 HD21 LEU 61 1HD2 LEU 61 -2.358 15.277 7.382 431 HD22 LEU 61 2HD2 LEU 61 -1.845 16.158 8.821 432 HD23 LEU 61 3HD2 LEU 61 -3.244 15.086 8.895 433 H GLY 62 H GLY 62 -5.173 13.230 9.831 434 HA2 GLY 62 1HA GLY 62 -6.304 11.203 11.544 435 HA3 GLY 62 2HA GLY 62 -7.143 12.092 10.281 436 H ALA 63 H ALA 63 -7.880 9.617 10.333 437 HA ALA 63 HA ALA 63 -6.339 7.633 9.154 438 HB1 ALA 63 1HB ALA 63 -9.060 7.432 8.256 439 HB2 ALA 63 2HB ALA 63 -8.195 6.448 9.436 440 HB3 ALA 63 3HB ALA 63 -9.008 7.928 9.947 441 H LEU 64 H LEU 64 -8.424 10.056 7.610 442 HA LEU 64 HA LEU 64 -7.872 9.137 4.958 443 HB2 LEU 64 1HB LEU 64 -9.842 10.599 5.974 444 HB3 LEU 64 2HB LEU 64 -8.793 11.915 5.453 445 HG LEU 64 HG LEU 64 -8.949 11.241 3.173 446 HD11 LEU 64 1HD1 LEU 64 -9.717 8.693 4.340 447 HD12 LEU 64 2HD1 LEU 64 -9.022 9.053 2.760 448 HD13 LEU 64 3HD1 LEU 64 -10.764 9.177 3.006 449 HD21 LEU 64 1HD2 LEU 64 -11.775 10.805 3.916 450 HD22 LEU 64 2HD2 LEU 64 -11.058 11.968 2.800 451 HD23 LEU 64 3HD2 LEU 64 -11.015 12.270 4.537 452 H GLU 65 H GLU 65 -6.896 12.041 6.783 453 HA GLU 65 HA GLU 65 -5.304 13.328 5.023 454 HB2 GLU 65 1HB GLU 65 -4.823 12.813 7.955 455 HB3 GLU 65 2HB GLU 65 -3.809 13.893 7.007 456 HG2 GLU 65 1HG GLU 65 -6.759 14.184 7.521 457 HG3 GLU 65 2HG GLU 65 -5.462 15.163 8.204 458 H ALA 66 H ALA 66 -4.563 10.316 6.655 459 HA ALA 66 HA ALA 66 -1.820 10.201 5.931 460 HB1 ALA 66 1HB ALA 66 -3.256 8.829 7.685 461 HB2 ALA 66 2HB ALA 66 -3.348 7.690 6.341 462 HB3 ALA 66 3HB ALA 66 -1.778 8.179 6.977 463 H THR 67 H THR 67 -4.467 8.123 4.747 464 HA THR 67 HA THR 67 -3.319 6.921 2.638 465 HB THR 67 HB THR 67 -6.059 8.176 2.416 466 HG1 THR 67 1HG THR 67 -5.969 7.026 4.352 467 HG21 THR 67 1HG2 THR 67 -6.460 6.770 0.688 468 HG22 THR 67 2HG2 THR 67 -5.492 5.471 1.383 469 HG23 THR 67 3HG2 THR 67 -4.705 6.796 0.529 470 H ALA 68 H ALA 68 -4.452 10.264 2.686 471 HA ALA 68 HA ALA 68 -4.247 10.938 0.023 472 HB1 ALA 68 1HB ALA 68 -3.185 12.970 1.859 473 HB2 ALA 68 2HB ALA 68 -4.528 13.057 0.718 474 HB3 ALA 68 3HB ALA 68 -4.761 12.314 2.301 475 H TRP 69 H TRP 69 -1.667 11.175 2.474 476 HA TRP 69 HA TRP 69 0.367 12.059 0.801 477 HB2 TRP 69 1HB TRP 69 0.647 12.061 3.201 478 HB3 TRP 69 2HB TRP 69 0.516 10.307 3.260 479 HD1 TRP 69 HD TRP 69 2.968 13.099 2.385 480 HE1 TRP 69 1HE TRP 69 5.329 12.094 2.183 481 HE3 TRP 69 3HE TRP 69 1.766 8.139 2.691 482 HZ2 TRP 69 2HZ TRP 69 6.523 9.537 2.155 483 HZ3 TRP 69 3HZ TRP 69 3.577 6.478 2.567 484 HH2 TRP 69 HH TRP 69 5.906 7.163 2.305 485 H ALA 70 H ALA 70 -0.081 8.696 1.918 486 HA ALA 70 HA ALA 70 1.746 7.358 0.478 487 HB1 ALA 70 1HB ALA 70 -0.131 6.451 1.983 488 HB2 ALA 70 2HB ALA 70 -1.067 6.321 0.493 489 HB3 ALA 70 3HB ALA 70 0.448 5.433 0.664 490 H LEU 71 H LEU 71 -1.520 8.000 -0.818 491 HA LEU 71 HA LEU 71 -1.079 7.094 -3.398 492 HB2 LEU 71 1HB LEU 71 -2.903 9.202 -2.289 493 HB3 LEU 71 2HB LEU 71 -2.885 8.813 -4.008 494 HG LEU 71 HG LEU 71 -3.313 6.629 -2.014 495 HD11 LEU 71 1HD1 LEU 71 -5.588 8.275 -3.071 496 HD12 LEU 71 2HD1 LEU 71 -4.831 8.622 -1.516 497 HD13 LEU 71 3HD1 LEU 71 -5.599 7.059 -1.792 498 HD21 LEU 71 1HD2 LEU 71 -4.058 5.449 -3.788 499 HD22 LEU 71 2HD2 LEU 71 -3.078 6.605 -4.690 500 HD23 LEU 71 3HD2 LEU 71 -4.819 6.851 -4.541 501 H LYS 72 H LYS 72 -0.215 10.142 -1.919 502 HA LYS 72 HA LYS 72 0.445 11.471 -4.366 503 HB2 LYS 72 1HB LYS 72 -0.126 12.485 -2.039 504 HB3 LYS 72 2HB LYS 72 1.579 12.227 -1.690 505 HG2 LYS 72 1HG LYS 72 2.030 13.536 -3.840 506 HG3 LYS 72 2HG LYS 72 0.338 14.031 -3.735 507 HD2 LYS 72 1HD LYS 72 0.703 15.045 -1.594 508 HD3 LYS 72 2HD LYS 72 2.342 14.392 -1.511 509 HE2 LYS 72 1HE LYS 72 2.526 16.684 -2.123 510 HE3 LYS 72 2HE LYS 72 2.877 15.730 -3.563 511 HZ1 LYS 72 1HZ LYS 72 0.276 17.024 -2.951 512 HZ2 LYS 72 2HZ LYS 72 0.630 16.127 -4.340 513 HZ3 LYS 72 3HZ LYS 72 1.420 17.596 -4.058 514 H VAL 73 H VAL 73 2.601 10.611 -1.659 515 HA VAL 73 HA VAL 73 4.997 10.820 -2.988 516 HB VAL 73 HB VAL 73 4.205 8.962 -0.751 517 HG11 VAL 73 1HG1 VAL 73 6.043 7.796 -1.380 518 HG12 VAL 73 2HG1 VAL 73 6.745 9.160 -2.253 519 HG13 VAL 73 3HG1 VAL 73 6.867 9.079 -0.495 520 HG21 VAL 73 1HG2 VAL 73 5.423 11.678 -0.955 521 HG22 VAL 73 2HG2 VAL 73 4.150 11.093 0.118 522 HG23 VAL 73 3HG2 VAL 73 5.831 10.650 0.419 523 H ALA 74 H ALA 74 2.604 8.338 -3.260 524 HA ALA 74 HA ALA 74 4.361 6.404 -4.480 525 HB1 ALA 74 1HB ALA 74 1.406 6.528 -3.997 526 HB2 ALA 74 2HB ALA 74 2.120 5.267 -5.003 527 HB3 ALA 74 3HB ALA 74 2.598 5.423 -3.312 528 H GLU 75 H GLU 75 2.232 8.956 -5.529 529 HA GLU 75 HA GLU 75 2.386 8.107 -8.313 530 HB2 GLU 75 1HB GLU 75 0.249 8.963 -7.386 531 HB3 GLU 75 2HB GLU 75 1.018 10.519 -7.108 532 HG2 GLU 75 1HG GLU 75 0.963 9.307 -9.841 533 HG3 GLU 75 2HG GLU 75 -0.425 10.194 -9.212 534 H ASN 76 H ASN 76 4.091 10.066 -6.149 535 HA ASN 76 HA ASN 76 5.156 11.786 -8.267 536 HB2 ASN 76 1HB ASN 76 5.119 11.919 -5.282 537 HB3 ASN 76 2HB ASN 76 6.410 12.746 -6.147 538 HD21 ASN 76 1HD2 ASN 76 3.055 12.695 -5.377 539 HD22 ASN 76 2HD2 ASN 76 2.647 14.213 -6.093 540 H GLU 77 H GLU 77 6.351 9.710 -5.627 541 HA GLU 77 HA GLU 77 8.984 9.605 -6.838 542 HB2 GLU 77 1HB GLU 77 7.787 8.621 -4.277 543 HB3 GLU 77 2HB GLU 77 9.304 7.936 -4.839 544 HG2 GLU 77 1HG GLU 77 8.730 10.804 -4.153 545 HG3 GLU 77 2HG GLU 77 9.813 9.689 -3.321 546 H LEU 78 H LEU 78 6.809 7.050 -5.626 547 HA LEU 78 HA LEU 78 7.982 4.981 -7.103 548 HB2 LEU 78 1HB LEU 78 5.095 5.039 -6.276 549 HB3 LEU 78 2HB LEU 78 6.153 3.639 -6.449 550 HG LEU 78 HG LEU 78 6.330 5.743 -4.291 551 HD11 LEU 78 1HD1 LEU 78 4.441 3.921 -4.358 552 HD12 LEU 78 2HD1 LEU 78 5.294 4.289 -2.860 553 HD13 LEU 78 3HD1 LEU 78 5.741 2.866 -3.800 554 HD21 LEU 78 1HD2 LEU 78 8.369 4.999 -3.834 555 HD22 LEU 78 2HD2 LEU 78 8.315 4.023 -5.302 556 HD23 LEU 78 3HD2 LEU 78 7.786 3.337 -3.764 557 H GLY 79 H GLY 79 5.439 7.258 -7.910 558 HA2 GLY 79 1HA GLY 79 4.795 7.886 -10.066 559 HA3 GLY 79 2HA GLY 79 5.680 6.510 -10.707 560 H ILE 80 H ILE 80 3.955 5.216 -8.291 561 HA ILE 80 HA ILE 80 2.136 3.896 -10.001 562 HB ILE 80 HB ILE 80 2.021 4.096 -6.989 563 HG12 ILE 80 1HG1 ILE 80 4.199 3.256 -7.992 564 HG13 ILE 80 2HG1 ILE 80 3.388 2.153 -6.885 565 HG21 ILE 80 1HG2 ILE 80 -0.046 3.258 -7.777 566 HG22 ILE 80 2HG2 ILE 80 0.744 2.225 -8.967 567 HG23 ILE 80 3HG2 ILE 80 0.883 1.856 -7.248 568 HD11 ILE 80 1HD1 ILE 80 3.283 2.012 -9.888 569 HD12 ILE 80 2HD1 ILE 80 4.270 0.996 -8.837 570 HD13 ILE 80 3HD1 ILE 80 2.510 0.893 -8.766 571 H THR 81 H THR 81 0.829 5.355 -11.071 572 HA THR 81 HA THR 81 -0.507 7.542 -10.068 573 HB THR 81 HB THR 81 -1.500 5.612 -12.173 574 HG1 THR 81 1HG THR 81 0.288 7.773 -12.164 575 HG21 THR 81 1HG2 THR 81 -3.051 7.224 -12.862 576 HG22 THR 81 2HG2 THR 81 -2.270 8.505 -11.935 577 HG23 THR 81 3HG2 THR 81 -3.181 7.244 -11.104 578 HA PRO 82 HA PRO 82 -3.450 5.931 -7.203 579 HB2 PRO 82 1HB PRO 82 -5.119 8.070 -7.114 580 HB3 PRO 82 2HB PRO 82 -3.532 8.056 -6.335 581 HG2 PRO 82 1HG PRO 82 -4.342 9.239 -8.963 582 HG3 PRO 82 2HG PRO 82 -3.296 9.921 -7.706 583 HD2 PRO 82 1HD PRO 82 -2.313 8.757 -9.944 584 HD3 PRO 82 2HD PRO 82 -1.467 8.694 -8.384 585 H VAL 83 H VAL 83 -4.368 4.248 -8.431 586 HA VAL 83 HA VAL 83 -6.267 4.683 -10.498 587 HB VAL 83 HB VAL 83 -4.869 2.552 -9.946 588 HG11 VAL 83 1HG1 VAL 83 -7.375 1.669 -8.582 589 HG12 VAL 83 2HG1 VAL 83 -5.753 0.975 -8.515 590 HG13 VAL 83 3HG1 VAL 83 -6.111 2.472 -7.651 591 HG21 VAL 83 1HG2 VAL 83 -7.197 3.054 -11.451 592 HG22 VAL 83 2HG2 VAL 83 -5.991 1.793 -11.707 593 HG23 VAL 83 3HG2 VAL 83 -7.406 1.470 -10.705 594 H VAL 84 H VAL 84 -6.479 4.408 -7.032 595 HA VAL 84 HA VAL 84 -9.414 4.634 -7.219 596 HB VAL 84 HB VAL 84 -7.719 3.345 -5.085 597 HG11 VAL 84 1HG1 VAL 84 -10.690 3.848 -4.990 598 HG12 VAL 84 2HG1 VAL 84 -9.714 3.033 -3.767 599 HG13 VAL 84 3HG1 VAL 84 -9.486 4.754 -4.075 600 HG21 VAL 84 1HG2 VAL 84 -9.723 2.382 -7.088 601 HG22 VAL 84 2HG2 VAL 84 -8.115 1.754 -6.726 602 HG23 VAL 84 3HG2 VAL 84 -9.442 1.479 -5.599 603 H SER 85 H SER 85 -10.468 6.055 -5.783 604 HA SER 85 HA SER 85 -8.961 8.426 -5.190 605 HB2 SER 85 1HB SER 85 -11.853 7.647 -4.921 606 HB3 SER 85 2HB SER 85 -11.255 9.147 -4.212 607 HG SER 85 HG SER 85 -11.107 9.993 -6.136 608 H ALA 86 H ALA 86 -8.087 9.020 -3.312 609 HA ALA 86 HA ALA 86 -7.490 7.437 -1.225 610 HB1 ALA 86 1HB ALA 86 -6.729 9.285 -0.163 611 HB2 ALA 86 2HB ALA 86 -7.057 10.029 -1.729 612 HB3 ALA 86 3HB ALA 86 -8.226 10.184 -0.417 613 H GLN 87 H GLN 87 -10.439 9.410 -1.440 614 HA GLN 87 HA GLN 87 -11.508 8.705 1.054 615 HB2 GLN 87 1HB GLN 87 -12.235 10.516 -0.702 616 HB3 GLN 87 2HB GLN 87 -13.287 9.236 -1.294 617 HG2 GLN 87 1HG GLN 87 -14.369 9.070 0.851 618 HG3 GLN 87 2HG GLN 87 -13.249 10.245 1.541 619 HE21 GLN 87 1HE2 GLN 87 -16.255 10.117 1.030 620 HE22 GLN 87 2HE2 GLN 87 -16.607 11.643 0.299 621 H ALA 88 H ALA 88 -12.002 7.282 -2.161 622 HA ALA 88 HA ALA 88 -13.904 5.371 -1.505 623 HB1 ALA 88 1HB ALA 88 -13.150 5.943 -3.804 624 HB2 ALA 88 2HB ALA 88 -11.681 5.011 -3.508 625 HB3 ALA 88 3HB ALA 88 -13.252 4.208 -3.499 626 H VAL 89 H VAL 89 -10.362 5.133 -1.379 627 HA VAL 89 HA VAL 89 -10.186 2.451 -0.607 628 HB VAL 89 HB VAL 89 -8.321 4.721 0.104 629 HG11 VAL 89 1HG1 VAL 89 -8.268 2.365 1.320 630 HG12 VAL 89 2HG1 VAL 89 -7.398 1.910 -0.146 631 HG13 VAL 89 3HG1 VAL 89 -6.790 3.216 0.871 632 HG21 VAL 89 1HG2 VAL 89 -7.002 3.810 -1.827 633 HG22 VAL 89 2HG2 VAL 89 -8.409 2.829 -2.240 634 HG23 VAL 89 3HG2 VAL 89 -8.522 4.589 -2.267 635 H VAL 90 H VAL 90 -10.332 5.395 1.380 636 HA VAL 90 HA VAL 90 -10.297 3.945 3.853 637 HB VAL 90 HB VAL 90 -10.931 6.829 3.229 638 HG11 VAL 90 1HG1 VAL 90 -12.115 6.498 5.199 639 HG12 VAL 90 2HG1 VAL 90 -10.946 5.332 5.823 640 HG13 VAL 90 3HG1 VAL 90 -10.542 7.049 5.774 641 HG21 VAL 90 1HG2 VAL 90 -8.678 6.722 2.940 642 HG22 VAL 90 2HG2 VAL 90 -8.707 6.920 4.692 643 HG23 VAL 90 3HG2 VAL 90 -8.497 5.316 3.990 644 H ALA 91 H ALA 91 -12.791 6.132 2.541 645 HA ALA 91 HA ALA 91 -14.890 5.562 4.132 646 HB1 ALA 91 1HB ALA 91 -14.629 6.927 1.825 647 HB2 ALA 91 2HB ALA 91 -15.614 5.570 1.276 648 HB3 ALA 91 3HB ALA 91 -16.179 6.593 2.597 649 H GLY 92 H GLY 92 -13.729 3.538 1.477 650 HA2 GLY 92 1HA GLY 92 -13.928 1.217 1.316 651 HA3 GLY 92 2HA GLY 92 -15.056 1.245 2.663 652 H SER 93 H SER 93 -15.061 2.845 -0.518 653 HA SER 93 HA SER 93 -17.796 1.852 -0.909 654 HB2 SER 93 1HB SER 93 -17.678 4.239 -1.082 655 HB3 SER 93 2HB SER 93 -16.286 4.153 -2.162 656 HG SER 93 HG SER 93 -17.565 3.534 -3.794 657 H ASP 94 H ASP 94 -14.668 2.140 -2.542 658 HA ASP 94 HA ASP 94 -15.571 0.100 -4.469 659 HB2 ASP 94 1HB ASP 94 -13.492 2.270 -4.812 660 HB3 ASP 94 2HB ASP 94 -13.820 1.005 -5.993 661 HA PRO 95 HA PRO 95 -12.420 -2.050 -1.947 662 HB2 PRO 95 1HB PRO 95 -13.507 -4.510 -2.321 663 HB3 PRO 95 2HB PRO 95 -14.075 -3.387 -1.080 664 HG2 PRO 95 1HG PRO 95 -15.218 -3.954 -3.788 665 HG3 PRO 95 2HG PRO 95 -16.059 -3.746 -2.240 666 HD2 PRO 95 1HD PRO 95 -15.903 -1.775 -4.090 667 HD3 PRO 95 2HD PRO 95 -15.948 -1.446 -2.346 668 H LEU 96 H LEU 96 -13.780 -3.078 -5.069 669 HA LEU 96 HA LEU 96 -11.699 -4.753 -5.872 670 HB2 LEU 96 1HB LEU 96 -13.654 -3.084 -7.426 671 HB3 LEU 96 2HB LEU 96 -12.483 -4.136 -8.216 672 HG LEU 96 HG LEU 96 -13.598 -5.933 -6.599 673 HD11 LEU 96 1HD1 LEU 96 -15.526 -5.352 -5.670 674 HD12 LEU 96 2HD1 LEU 96 -16.156 -4.791 -7.219 675 HD13 LEU 96 3HD1 LEU 96 -15.233 -3.694 -6.193 676 HD21 LEU 96 1HD2 LEU 96 -15.394 -5.998 -8.640 677 HD22 LEU 96 2HD2 LEU 96 -13.752 -6.638 -8.723 678 HD23 LEU 96 3HD2 LEU 96 -14.103 -5.022 -9.339 679 H GLY 97 H GLY 97 -12.136 -1.264 -6.331 680 HA2 GLY 97 1HA GLY 97 -9.993 -0.729 -8.002 681 HA3 GLY 97 2HA GLY 97 -10.613 0.391 -6.798 682 H LEU 98 H LEU 98 -9.980 -0.725 -4.438 683 HA LEU 98 HA LEU 98 -7.360 -0.030 -3.994 684 HB2 LEU 98 1HB LEU 98 -8.807 -0.231 -2.142 685 HB3 LEU 98 2HB LEU 98 -9.174 -1.913 -2.518 686 HG LEU 98 HG LEU 98 -6.920 -2.563 -1.841 687 HD11 LEU 98 1HD1 LEU 98 -5.307 -1.080 -1.045 688 HD12 LEU 98 2HD1 LEU 98 -6.470 0.231 -0.854 689 HD13 LEU 98 3HD1 LEU 98 -5.963 -0.269 -2.467 690 HD21 LEU 98 1HD2 LEU 98 -7.579 -1.024 0.526 691 HD22 LEU 98 2HD2 LEU 98 -7.614 -2.768 0.266 692 HD23 LEU 98 3HD2 LEU 98 -9.000 -1.779 -0.195 693 H ILE 99 H ILE 99 -8.628 -3.329 -4.430 694 HA ILE 99 HA ILE 99 -6.272 -4.747 -4.201 695 HB ILE 99 HB ILE 99 -8.568 -5.315 -6.081 696 HG12 ILE 99 1HG1 ILE 99 -8.065 -6.600 -3.407 697 HG13 ILE 99 2HG1 ILE 99 -8.961 -5.090 -3.533 698 HG21 ILE 99 1HG2 ILE 99 -7.727 -7.708 -5.772 699 HG22 ILE 99 2HG2 ILE 99 -6.803 -6.652 -6.840 700 HG23 ILE 99 3HG2 ILE 99 -6.226 -6.974 -5.204 701 HD11 ILE 99 1HD1 ILE 99 -9.714 -7.824 -4.417 702 HD12 ILE 99 2HD1 ILE 99 -10.661 -6.610 -3.558 703 HD13 ILE 99 3HD1 ILE 99 -10.363 -6.435 -5.288 704 H ALA 100 H ALA 100 -7.697 -3.452 -7.202 705 HA ALA 100 HA ALA 100 -5.627 -4.215 -8.920 706 HB1 ALA 100 1HB ALA 100 -7.806 -2.193 -9.035 707 HB2 ALA 100 2HB ALA 100 -6.521 -2.118 -10.240 708 HB3 ALA 100 3HB ALA 100 -7.494 -3.580 -10.079 709 H TYR 101 H TYR 101 -6.002 -1.393 -6.862 710 HA TYR 101 HA TYR 101 -3.935 0.178 -7.928 711 HB2 TYR 101 1HB TYR 101 -5.667 0.982 -6.325 712 HB3 TYR 101 2HB TYR 101 -4.856 0.082 -5.048 713 HD1 TYR 101 1HD TYR 101 -3.361 2.126 -7.778 714 HD2 TYR 101 2HD TYR 101 -4.061 1.730 -3.600 715 HE1 TYR 101 1HE TYR 101 -1.895 4.055 -7.357 716 HE2 TYR 101 2HE TYR 101 -2.599 3.660 -3.167 717 HH TYR 101 HH TYR 101 -0.428 4.757 -4.938 718 H LEU 102 H LEU 102 -3.886 -1.926 -5.046 719 HA LEU 102 HA LEU 102 -1.191 -1.703 -4.450 720 HB2 LEU 102 1HB LEU 102 -2.987 -4.100 -4.109 721 HB3 LEU 102 2HB LEU 102 -1.427 -3.880 -3.319 722 HG LEU 102 HG LEU 102 -3.827 -2.101 -2.900 723 HD11 LEU 102 1HD1 LEU 102 -4.611 -3.794 -1.676 724 HD12 LEU 102 2HD1 LEU 102 -3.321 -3.402 -0.540 725 HD13 LEU 102 3HD1 LEU 102 -3.081 -4.670 -1.741 726 HD21 LEU 102 1HD2 LEU 102 -1.028 -2.121 -1.897 727 HD22 LEU 102 2HD2 LEU 102 -2.312 -1.649 -0.782 728 HD23 LEU 102 3HD2 LEU 102 -2.082 -0.761 -2.290 729 H SER 103 H SER 103 -2.812 -3.882 -6.707 730 HA SER 103 HA SER 103 -0.841 -5.651 -7.356 731 HB2 SER 103 1HB SER 103 -3.225 -5.346 -8.353 732 HB3 SER 103 2HB SER 103 -2.418 -4.342 -9.556 733 HG SER 103 HG SER 103 -2.552 -6.516 -10.232 734 H HIS 104 H HIS 104 -1.068 -2.277 -8.302 735 HA HIS 104 HA HIS 104 0.971 -2.276 -10.245 736 HB2 HIS 104 1HB HIS 104 0.102 -0.010 -8.440 737 HB3 HIS 104 2HB HIS 104 1.015 0.152 -9.936 738 HD1 HIS 104 1HD HIS 104 -0.919 1.674 -10.846 739 HD2 HIS 104 2HD HIS 104 -2.003 -2.261 -10.069 740 HE1 HIS 104 1HE HIS 104 -3.132 1.346 -11.994 741 HE2 HIS 104 2HE HIS 104 -3.808 -1.015 -11.439 742 H PHE 105 H PHE 105 1.044 -1.550 -6.769 743 HA PHE 105 HA PHE 105 3.755 -0.889 -6.588 744 HB2 PHE 105 1HB PHE 105 1.791 -1.996 -4.592 745 HB3 PHE 105 2HB PHE 105 3.463 -1.664 -4.151 746 HD1 PHE 105 1HD PHE 105 0.522 -0.021 -5.742 747 HD2 PHE 105 2HD PHE 105 4.012 0.421 -3.346 748 HE1 PHE 105 1HE PHE 105 -0.059 2.335 -5.335 749 HE2 PHE 105 2HE PHE 105 3.435 2.777 -2.935 750 HZ PHE 105 HZ PHE 105 1.397 3.737 -3.929 751 H HIS 106 H HIS 106 2.134 -4.015 -6.099 752 HA HIS 106 HA HIS 106 4.529 -5.451 -5.577 753 HB2 HIS 106 1HB HIS 106 2.251 -6.199 -4.880 754 HB3 HIS 106 2HB HIS 106 1.887 -6.538 -6.570 755 HD1 HIS 106 1HD HIS 106 1.595 -9.053 -6.182 756 HD2 HIS 106 2HD HIS 106 5.331 -7.618 -5.068 757 HE1 HIS 106 1HE HIS 106 3.011 -11.094 -5.795 758 HE2 HIS 106 2HE HIS 106 5.242 -10.202 -5.038 759 H SER 107 H SER 107 2.352 -5.653 -8.399 760 HA SER 107 HA SER 107 3.731 -7.182 -10.105 761 HB2 SER 107 1HB SER 107 2.767 -5.965 -11.956 762 HB3 SER 107 2HB SER 107 1.604 -5.965 -10.630 763 HG SER 107 HG SER 107 3.417 -3.848 -11.162 764 H ALA 108 H ALA 108 4.579 -3.880 -9.246 765 HA ALA 108 HA ALA 108 6.824 -3.847 -11.090 766 HB1 ALA 108 1HB ALA 108 6.918 -1.601 -10.769 767 HB2 ALA 108 2HB ALA 108 5.240 -1.865 -10.293 768 HB3 ALA 108 3HB ALA 108 6.492 -1.713 -9.061 769 H PHE 109 H PHE 109 6.299 -3.754 -7.575 770 HA PHE 109 HA PHE 109 9.154 -4.212 -7.142 771 HB2 PHE 109 1HB PHE 109 6.894 -3.434 -5.305 772 HB3 PHE 109 2HB PHE 109 8.476 -3.907 -4.696 773 HD1 PHE 109 2HD PHE 109 10.482 -2.555 -5.333 774 HD2 PHE 109 1HD PHE 109 6.505 -1.277 -6.150 775 HE1 PHE 109 2HE PHE 109 11.288 -0.250 -5.638 776 HE2 PHE 109 1HE PHE 109 7.305 1.030 -6.457 777 HZ PHE 109 HZ PHE 109 9.700 1.546 -6.200 778 H LYS 110 H LYS 110 7.745 -6.338 -8.295 779 HA LYS 110 HA LYS 110 6.899 -8.236 -6.351 780 HB2 LYS 110 1HB LYS 110 7.453 -8.260 -9.273 781 HB3 LYS 110 2HB LYS 110 7.460 -9.808 -8.439 782 HG2 LYS 110 1HG LYS 110 5.172 -8.894 -7.481 783 HG3 LYS 110 2HG LYS 110 5.215 -7.944 -8.967 784 HD2 LYS 110 1HD LYS 110 5.793 -10.857 -9.140 785 HD3 LYS 110 2HD LYS 110 4.121 -10.350 -8.892 786 HE2 LYS 110 1HE LYS 110 4.205 -8.983 -10.887 787 HE3 LYS 110 2HE LYS 110 5.913 -9.358 -11.106 788 HZ1 LYS 110 1HZ LYS 110 5.287 -11.705 -11.376 789 HZ2 LYS 110 2HZ LYS 110 4.594 -10.715 -12.560 790 HZ3 LYS 110 3HZ LYS 110 3.653 -11.276 -11.270 791 H SER 111 H SER 111 8.108 -9.406 -5.025 792 HA SER 111 HA SER 111 10.687 -10.422 -5.874 793 HB2 SER 111 1HB SER 111 11.959 -9.475 -4.067 794 HB3 SER 111 2HB SER 111 11.138 -8.148 -4.890 795 HG SER 111 HG SER 111 9.446 -8.541 -3.188 796 H GLY 112 H GLY 112 11.693 -11.588 -3.780 797 HA2 GLY 112 1HA GLY 112 11.013 -12.782 -1.734 798 HA3 GLY 112 2HA GLY 112 9.473 -13.084 -2.525 799 HA PRO 113 HA PRO 113 12.271 -16.772 -3.096 800 HB2 PRO 113 1HB PRO 113 10.488 -18.594 -2.164 801 HB3 PRO 113 2HB PRO 113 11.617 -17.731 -1.113 802 HG2 PRO 113 1HG PRO 113 8.724 -17.176 -1.649 803 HG3 PRO 113 2HG PRO 113 9.602 -17.151 -0.108 804 HD2 PRO 113 1HD PRO 113 9.005 -14.894 -1.482 805 HD3 PRO 113 2HD PRO 113 10.472 -15.051 -0.494 806 H SER 114 H SER 114 8.922 -16.069 -3.860 807 HA SER 114 HA SER 114 7.634 -16.517 -5.680 808 HB2 SER 114 1HB SER 114 10.323 -17.156 -6.912 809 HB3 SER 114 2HB SER 114 8.815 -17.057 -7.822 810 HG SER 114 HG SER 114 9.737 -15.067 -7.964 811 H SER 115 H SER 115 7.795 -18.498 -3.748 812 HA SER 115 HA SER 115 7.529 -20.930 -5.390 813 HB2 SER 115 1HB SER 115 8.428 -22.272 -3.600 814 HB3 SER 115 2HB SER 115 9.571 -20.970 -3.929 815 HG SER 115 HG SER 115 8.352 -19.851 -2.155 816 H GLY 116 H GLY 116 5.896 -22.396 -4.773 817 HA2 GLY 116 1HA GLY 116 4.098 -23.091 -3.357 818 HA3 GLY 116 2HA GLY 116 4.022 -21.459 -2.710 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.560 -27.499 -1.907 2 HA2 GLY 1 1HA GLY 1 10.798 -24.584 -2.320 3 HA3 GLY 1 2HA GLY 1 12.049 -25.745 -2.738 4 H SER 2 H SER 2 9.456 -23.948 -3.883 5 HA SER 2 HA SER 2 9.659 -25.247 -6.483 6 HB2 SER 2 1HB SER 2 7.200 -25.333 -6.755 7 HB3 SER 2 2HB SER 2 7.756 -26.383 -5.452 8 HG SER 2 HG SER 2 7.282 -24.400 -4.100 9 H SER 3 H SER 3 8.613 -23.948 -8.206 10 HA SER 3 HA SER 3 8.325 -21.111 -7.512 11 HB2 SER 3 1HB SER 3 10.649 -21.501 -8.301 12 HB3 SER 3 2HB SER 3 10.004 -22.129 -9.817 13 HG SER 3 HG SER 3 10.464 -19.599 -9.144 14 H GLY 4 H GLY 4 6.439 -20.402 -8.240 15 HA2 GLY 4 1HA GLY 4 5.554 -20.516 -10.866 16 HA3 GLY 4 2HA GLY 4 4.828 -21.889 -10.045 17 H SER 5 H SER 5 4.489 -18.648 -10.795 18 HA SER 5 HA SER 5 2.932 -17.881 -8.494 19 HB2 SER 5 1HB SER 5 3.284 -16.513 -11.173 20 HB3 SER 5 2HB SER 5 2.510 -15.803 -9.757 21 HG SER 5 HG SER 5 5.077 -16.830 -9.428 22 H SER 6 H SER 6 0.700 -17.471 -8.457 23 HA SER 6 HA SER 6 -0.826 -18.911 -10.527 24 HB2 SER 6 1HB SER 6 -2.466 -19.467 -8.826 25 HB3 SER 6 2HB SER 6 -0.869 -19.966 -8.269 26 HG SER 6 HG SER 6 -1.894 -17.434 -7.587 27 H GLY 7 H GLY 7 -0.063 -15.899 -9.594 28 HA2 GLY 7 1HA GLY 7 -1.055 -13.828 -9.757 29 HA3 GLY 7 2HA GLY 7 -1.899 -14.548 -11.120 30 H THR 8 H THR 8 -2.039 -14.483 -7.561 31 HA THR 8 HA THR 8 -4.891 -13.899 -7.723 32 HB THR 8 HB THR 8 -3.895 -16.170 -5.998 33 HG1 THR 8 1HG THR 8 -3.854 -16.629 -8.306 34 HG21 THR 8 1HG2 THR 8 -5.922 -16.151 -5.064 35 HG22 THR 8 2HG2 THR 8 -6.708 -16.143 -6.643 36 HG23 THR 8 3HG2 THR 8 -6.223 -14.624 -5.890 37 H GLN 9 H GLN 9 -5.700 -12.795 -5.954 38 HA GLN 9 HA GLN 9 -4.236 -11.004 -4.605 39 HB2 GLN 9 1HB GLN 9 -6.627 -12.511 -3.541 40 HB3 GLN 9 2HB GLN 9 -5.968 -11.064 -2.789 41 HG2 GLN 9 1HG GLN 9 -6.567 -9.713 -4.615 42 HG3 GLN 9 2HG GLN 9 -6.869 -11.108 -5.649 43 HE21 GLN 9 1HE2 GLN 9 -8.931 -10.164 -6.080 44 HE22 GLN 9 2HE2 GLN 9 -10.228 -10.354 -4.955 45 H GLU 10 H GLU 10 -4.688 -14.364 -3.632 46 HA GLU 10 HA GLU 10 -3.775 -14.557 -1.133 47 HB2 GLU 10 1HB GLU 10 -4.194 -16.424 -2.858 48 HB3 GLU 10 2HB GLU 10 -2.485 -16.273 -3.240 49 HG2 GLU 10 1HG GLU 10 -3.258 -16.616 -0.396 50 HG3 GLU 10 2HG GLU 10 -3.371 -18.010 -1.468 51 H GLU 11 H GLU 11 -1.508 -14.463 -3.890 52 HA GLU 11 HA GLU 11 0.791 -14.130 -2.280 53 HB2 GLU 11 1HB GLU 11 1.973 -13.692 -4.338 54 HB3 GLU 11 2HB GLU 11 0.823 -14.995 -4.607 55 HG2 GLU 11 1HG GLU 11 -0.579 -13.667 -5.890 56 HG3 GLU 11 2HG GLU 11 0.100 -12.169 -5.258 57 H LEU 12 H LEU 12 -1.426 -11.874 -3.797 58 HA LEU 12 HA LEU 12 0.074 -9.529 -3.579 59 HB2 LEU 12 1HB LEU 12 -2.094 -9.839 -4.801 60 HB3 LEU 12 2HB LEU 12 -2.910 -9.752 -3.241 61 HG LEU 12 HG LEU 12 -2.202 -7.463 -2.949 62 HD11 LEU 12 1HD1 LEU 12 -0.580 -8.013 -5.402 63 HD12 LEU 12 2HD1 LEU 12 -0.087 -7.280 -3.875 64 HD13 LEU 12 3HD1 LEU 12 -1.088 -6.371 -5.007 65 HD21 LEU 12 1HD2 LEU 12 -4.168 -7.243 -4.029 66 HD22 LEU 12 2HD2 LEU 12 -3.692 -8.321 -5.342 67 HD23 LEU 12 3HD2 LEU 12 -3.150 -6.641 -5.338 68 H LEU 13 H LEU 13 -2.430 -10.745 -1.346 69 HA LEU 13 HA LEU 13 -2.147 -8.836 0.638 70 HB2 LEU 13 1HB LEU 13 -3.973 -10.220 0.905 71 HB3 LEU 13 2HB LEU 13 -3.035 -11.684 0.619 72 HG LEU 13 HG LEU 13 -1.950 -11.209 2.892 73 HD11 LEU 13 1HD1 LEU 13 -4.234 -9.940 4.003 74 HD12 LEU 13 2HD1 LEU 13 -3.627 -8.936 2.687 75 HD13 LEU 13 3HD1 LEU 13 -2.556 -9.397 4.010 76 HD21 LEU 13 1HD2 LEU 13 -4.885 -11.838 3.009 77 HD22 LEU 13 2HD2 LEU 13 -3.578 -12.489 4.000 78 HD23 LEU 13 3HD2 LEU 13 -3.712 -12.950 2.302 79 H ARG 14 H ARG 14 -0.479 -11.967 0.355 80 HA ARG 14 HA ARG 14 1.050 -11.796 2.679 81 HB2 ARG 14 1HB ARG 14 1.884 -13.087 0.077 82 HB3 ARG 14 2HB ARG 14 2.493 -13.468 1.682 83 HG2 ARG 14 1HG ARG 14 -0.424 -13.727 1.180 84 HG3 ARG 14 2HG ARG 14 0.663 -14.950 0.517 85 HD2 ARG 14 1HD ARG 14 0.145 -15.842 2.581 86 HD3 ARG 14 2HD ARG 14 1.652 -14.991 2.920 87 HE ARG 14 HE ARG 14 -0.271 -13.154 3.476 88 HH11 ARG 14 2HH1 ARG 14 0.334 -16.424 4.506 89 HH12 ARG 14 1HH1 ARG 14 -0.382 -16.203 6.068 90 HH21 ARG 14 2HH2 ARG 14 -1.217 -12.851 5.529 91 HH22 ARG 14 1HH2 ARG 14 -1.265 -14.170 6.649 92 H TRP 15 H TRP 15 1.857 -10.773 -0.629 93 HA TRP 15 HA TRP 15 4.441 -9.855 -0.128 94 HB2 TRP 15 1HB TRP 15 3.487 -10.150 -2.389 95 HB3 TRP 15 2HB TRP 15 2.449 -8.753 -2.121 96 HD1 TRP 15 HD TRP 15 6.169 -9.646 -2.583 97 HE1 TRP 15 1HE TRP 15 7.405 -7.546 -3.413 98 HE3 TRP 15 3HE TRP 15 2.350 -6.265 -2.233 99 HZ2 TRP 15 2HZ TRP 15 6.836 -4.818 -3.860 100 HZ3 TRP 15 3HZ TRP 15 2.779 -3.930 -2.881 101 HH2 TRP 15 HH TRP 15 4.976 -3.224 -3.677 102 H CYS 16 H CYS 16 1.351 -8.109 0.007 103 HA CYS 16 HA CYS 16 2.397 -5.588 0.642 104 HB2 CYS 16 1HB CYS 16 -0.277 -6.874 1.164 105 HB3 CYS 16 2HB CYS 16 0.071 -5.227 1.670 106 HG CYS 16 HG CYS 16 -0.292 -6.451 -1.475 107 H GLN 17 H GLN 17 1.488 -8.316 2.682 108 HA GLN 17 HA GLN 17 1.648 -7.063 5.173 109 HB2 GLN 17 1HB GLN 17 2.049 -9.902 4.275 110 HB3 GLN 17 2HB GLN 17 2.285 -9.449 5.957 111 HG2 GLN 17 1HG GLN 17 -0.053 -8.482 5.879 112 HG3 GLN 17 2HG GLN 17 -0.234 -9.311 4.334 113 HE21 GLN 17 1HE2 GLN 17 -1.658 -9.704 6.849 114 HE22 GLN 17 2HE2 GLN 17 -1.427 -11.362 7.276 115 H GLU 18 H GLU 18 4.144 -9.103 3.636 116 HA GLU 18 HA GLU 18 6.197 -8.707 5.401 117 HB2 GLU 18 1HB GLU 18 6.259 -9.012 2.403 118 HB3 GLU 18 2HB GLU 18 7.722 -8.970 3.376 119 HG2 GLU 18 1HG GLU 18 7.004 -10.936 4.595 120 HG3 GLU 18 2HG GLU 18 5.488 -10.960 3.696 121 H GLN 19 H GLN 19 5.319 -6.631 2.662 122 HA GLN 19 HA GLN 19 7.413 -4.766 3.028 123 HB2 GLN 19 1HB GLN 19 4.722 -4.451 1.688 124 HB3 GLN 19 2HB GLN 19 6.032 -3.282 1.585 125 HG2 GLN 19 1HG GLN 19 5.893 -6.046 0.441 126 HG3 GLN 19 2HG GLN 19 6.164 -4.515 -0.390 127 HE21 GLN 19 1HE2 GLN 19 7.629 -7.256 0.496 128 HE22 GLN 19 2HE2 GLN 19 9.260 -6.706 0.653 129 H THR 20 H THR 20 4.054 -4.855 4.145 130 HA THR 20 HA THR 20 4.450 -2.388 5.655 131 HB THR 20 HB THR 20 2.052 -2.549 6.189 132 HG1 THR 20 1HG THR 20 2.254 -5.033 5.842 133 HG21 THR 20 1HG2 THR 20 3.129 -1.790 3.845 134 HG22 THR 20 2HG2 THR 20 1.401 -1.698 4.188 135 HG23 THR 20 3HG2 THR 20 2.047 -3.062 3.277 136 H ALA 21 H ALA 21 5.787 -4.955 6.350 137 HA ALA 21 HA ALA 21 4.529 -5.709 8.863 138 HB1 ALA 21 1HB ALA 21 7.142 -6.737 7.790 139 HB2 ALA 21 2HB ALA 21 6.062 -7.499 8.957 140 HB3 ALA 21 3HB ALA 21 5.580 -7.369 7.266 141 H GLY 22 H GLY 22 5.185 -5.078 10.839 142 HA2 GLY 22 1HA GLY 22 6.948 -4.450 12.373 143 HA3 GLY 22 2HA GLY 22 7.734 -3.608 11.045 144 H TYR 23 H TYR 23 6.021 -1.952 9.999 145 HA TYR 23 HA TYR 23 5.898 0.270 11.481 146 HB2 TYR 23 1HB TYR 23 5.047 -0.174 9.065 147 HB3 TYR 23 2HB TYR 23 3.480 -0.407 9.832 148 HD1 TYR 23 2HD TYR 23 3.164 1.592 11.775 149 HD2 TYR 23 1HD TYR 23 5.228 1.890 8.066 150 HE1 TYR 23 2HE TYR 23 2.798 4.024 11.773 151 HE2 TYR 23 1HE TYR 23 4.868 4.322 8.054 152 HH TYR 23 HH TYR 23 4.134 6.084 10.604 153 HA PRO 24 HA PRO 24 3.302 -0.664 14.954 154 HB2 PRO 24 1HB PRO 24 3.236 1.849 15.979 155 HB3 PRO 24 2HB PRO 24 4.639 0.785 16.134 156 HG2 PRO 24 1HG PRO 24 4.158 3.014 14.196 157 HG3 PRO 24 2HG PRO 24 5.631 2.615 15.099 158 HD2 PRO 24 1HD PRO 24 5.291 1.945 12.497 159 HD3 PRO 24 2HD PRO 24 6.234 0.949 13.624 160 H GLY 25 H GLY 25 1.171 -0.960 14.809 161 HA2 GLY 25 1HA GLY 25 -1.050 -0.099 14.912 162 HA3 GLY 25 2HA GLY 25 -0.514 1.307 14.003 163 H VAL 26 H VAL 26 0.903 -0.215 11.990 164 HA VAL 26 HA VAL 26 -1.261 -0.674 10.202 165 HB VAL 26 HB VAL 26 1.684 -1.277 9.909 166 HG11 VAL 26 1HG1 VAL 26 0.902 -1.133 7.392 167 HG12 VAL 26 2HG1 VAL 26 0.836 -2.650 8.289 168 HG13 VAL 26 3HG1 VAL 26 -0.625 -1.684 8.080 169 HG21 VAL 26 1HG2 VAL 26 0.095 0.944 8.647 170 HG22 VAL 26 2HG2 VAL 26 0.937 1.125 10.186 171 HG23 VAL 26 3HG2 VAL 26 1.849 0.762 8.721 172 H HIS 27 H HIS 27 -2.549 -2.389 10.425 173 HA HIS 27 HA HIS 27 -1.286 -5.030 10.743 174 HB2 HIS 27 1HB HIS 27 -2.452 -4.286 12.822 175 HB3 HIS 27 2HB HIS 27 -3.955 -4.213 11.907 176 HD1 HIS 27 1HD HIS 27 -3.091 -6.173 14.376 177 HD2 HIS 27 2HD HIS 27 -3.558 -7.145 10.363 178 HE1 HIS 27 1HE HIS 27 -3.545 -8.646 14.332 179 HE2 HIS 27 2HE HIS 27 -3.740 -9.227 11.889 180 H VAL 28 H VAL 28 -1.354 -5.021 8.382 181 HA VAL 28 HA VAL 28 -3.840 -4.949 6.988 182 HB VAL 28 HB VAL 28 -1.170 -6.067 6.123 183 HG11 VAL 28 1HG1 VAL 28 -2.481 -5.343 3.849 184 HG12 VAL 28 2HG1 VAL 28 -2.390 -6.989 4.480 185 HG13 VAL 28 3HG1 VAL 28 -3.798 -5.986 4.830 186 HG21 VAL 28 1HG2 VAL 28 -1.002 -3.718 6.602 187 HG22 VAL 28 2HG2 VAL 28 -1.013 -3.936 4.852 188 HG23 VAL 28 3HG2 VAL 28 -2.468 -3.382 5.680 189 H SER 29 H SER 29 -5.067 -6.449 8.306 190 HA SER 29 HA SER 29 -4.332 -9.246 8.243 191 HB2 SER 29 1HB SER 29 -5.489 -8.157 10.200 192 HB3 SER 29 2HB SER 29 -6.934 -8.030 9.196 193 HG SER 29 HG SER 29 -5.672 -10.323 10.223 194 H ASP 30 H ASP 30 -6.056 -7.084 6.270 195 HA ASP 30 HA ASP 30 -6.599 -9.043 4.308 196 HB2 ASP 30 1HB ASP 30 -9.204 -8.478 4.476 197 HB3 ASP 30 2HB ASP 30 -8.487 -9.851 5.314 198 H LEU 31 H LEU 31 -7.360 -8.143 2.352 199 HA LEU 31 HA LEU 31 -6.837 -5.309 2.121 200 HB2 LEU 31 1HB LEU 31 -7.319 -7.538 0.185 201 HB3 LEU 31 2HB LEU 31 -7.391 -5.861 -0.352 202 HG LEU 31 HG LEU 31 -5.067 -5.536 0.328 203 HD11 LEU 31 1HD1 LEU 31 -4.924 -7.060 2.181 204 HD12 LEU 31 2HD1 LEU 31 -3.716 -7.508 0.978 205 HD13 LEU 31 3HD1 LEU 31 -5.205 -8.441 1.120 206 HD21 LEU 31 1HD2 LEU 31 -4.259 -6.373 -1.599 207 HD22 LEU 31 2HD2 LEU 31 -5.945 -6.802 -1.889 208 HD23 LEU 31 3HD2 LEU 31 -4.825 -8.008 -1.252 209 H SER 32 H SER 32 -9.186 -6.018 3.603 210 HA SER 32 HA SER 32 -11.292 -4.964 1.831 211 HB2 SER 32 1HB SER 32 -11.687 -7.267 2.752 212 HB3 SER 32 2HB SER 32 -11.700 -6.562 4.368 213 HG SER 32 HG SER 32 -13.369 -5.092 3.176 214 H SER 33 H SER 33 -10.880 -5.165 5.361 215 HA SER 33 HA SER 33 -11.316 -2.252 5.484 216 HB2 SER 33 1HB SER 33 -12.252 -4.303 7.506 217 HB3 SER 33 2HB SER 33 -12.547 -2.565 7.564 218 HG SER 33 HG SER 33 -13.494 -3.091 5.314 219 H SER 34 H SER 34 -8.769 -3.214 5.268 220 HA SER 34 HA SER 34 -7.709 -2.822 7.989 221 HB2 SER 34 1HB SER 34 -6.289 -4.430 5.870 222 HB3 SER 34 2HB SER 34 -5.966 -4.378 7.603 223 HG SER 34 HG SER 34 -7.630 -5.681 7.976 224 H TRP 35 H TRP 35 -7.605 -1.994 4.641 225 HA TRP 35 HA TRP 35 -5.204 -0.361 4.991 226 HB2 TRP 35 1HB TRP 35 -6.846 -0.945 2.517 227 HB3 TRP 35 2HB TRP 35 -5.360 0.001 2.550 228 HD1 TRP 35 HD TRP 35 -6.431 -3.590 3.601 229 HE1 TRP 35 1HE TRP 35 -4.512 -5.191 2.987 230 HE3 TRP 35 3HE TRP 35 -3.099 -0.186 1.744 231 HZ2 TRP 35 2HZ TRP 35 -1.926 -5.031 1.865 232 HZ3 TRP 35 3HZ TRP 35 -0.925 -0.993 0.922 233 HH2 TRP 35 HH TRP 35 -0.352 -3.365 0.982 234 H ALA 36 H ALA 36 -8.514 -0.067 5.317 235 HA ALA 36 HA ALA 36 -9.133 2.408 4.216 236 HB1 ALA 36 1HB ALA 36 -10.367 0.572 5.961 237 HB2 ALA 36 2HB ALA 36 -10.439 2.151 6.744 238 HB3 ALA 36 3HB ALA 36 -11.102 1.938 5.123 239 H ASP 37 H ASP 37 -7.890 1.681 7.472 240 HA ASP 37 HA ASP 37 -7.835 4.079 8.683 241 HB2 ASP 37 1HB ASP 37 -5.724 3.415 9.784 242 HB3 ASP 37 2HB ASP 37 -6.878 2.086 9.708 243 H GLY 38 H GLY 38 -5.593 3.053 6.142 244 HA2 GLY 38 1HA GLY 38 -4.913 4.742 4.512 245 HA3 GLY 38 2HA GLY 38 -4.807 5.885 5.844 246 H LEU 39 H LEU 39 -3.416 4.380 7.710 247 HA LEU 39 HA LEU 39 -0.780 4.841 7.051 248 HB2 LEU 39 1HB LEU 39 -2.153 3.181 9.092 249 HB3 LEU 39 2HB LEU 39 -0.426 2.919 8.853 250 HG LEU 39 HG LEU 39 -1.643 5.598 9.510 251 HD11 LEU 39 1HD1 LEU 39 -1.878 3.697 11.250 252 HD12 LEU 39 2HD1 LEU 39 -1.227 5.255 11.760 253 HD13 LEU 39 3HD1 LEU 39 -0.139 3.900 11.460 254 HD21 LEU 39 1HD2 LEU 39 0.756 5.109 8.404 255 HD22 LEU 39 2HD2 LEU 39 1.169 4.931 10.110 256 HD23 LEU 39 3HD2 LEU 39 0.454 6.436 9.528 257 H ALA 40 H ALA 40 -2.653 1.866 6.680 258 HA ALA 40 HA ALA 40 -0.832 -0.021 6.068 259 HB1 ALA 40 1HB ALA 40 -3.277 -0.339 5.965 260 HB2 ALA 40 2HB ALA 40 -3.297 0.495 4.410 261 HB3 ALA 40 3HB ALA 40 -2.440 -1.038 4.578 262 H LEU 41 H LEU 41 -2.193 2.097 3.534 263 HA LEU 41 HA LEU 41 -0.440 1.375 1.507 264 HB2 LEU 41 1HB LEU 41 -2.163 3.724 2.059 265 HB3 LEU 41 2HB LEU 41 -0.940 3.895 0.802 266 HG LEU 41 HG LEU 41 -2.951 1.658 0.789 267 HD11 LEU 41 1HD1 LEU 41 -4.431 2.928 -0.504 268 HD12 LEU 41 2HD1 LEU 41 -3.250 4.214 -0.755 269 HD13 LEU 41 3HD1 LEU 41 -3.986 3.990 0.832 270 HD21 LEU 41 1HD2 LEU 41 -0.780 1.678 -0.603 271 HD22 LEU 41 2HD2 LEU 41 -1.582 2.926 -1.557 272 HD23 LEU 41 3HD2 LEU 41 -2.302 1.321 -1.419 273 H CYS 42 H CYS 42 -0.072 3.749 4.073 274 HA CYS 42 HA CYS 42 2.231 5.033 3.084 275 HB2 CYS 42 1HB CYS 42 1.592 4.649 6.007 276 HB3 CYS 42 2HB CYS 42 2.466 5.978 5.256 277 HG CYS 42 HG CYS 42 -0.838 5.405 4.610 278 H ALA 43 H ALA 43 1.997 2.589 5.676 279 HA ALA 43 HA ALA 43 4.645 2.105 6.116 280 HB1 ALA 43 1HB ALA 43 3.602 0.755 7.548 281 HB2 ALA 43 2HB ALA 43 2.176 0.636 6.515 282 HB3 ALA 43 3HB ALA 43 3.553 -0.431 6.242 283 H LEU 44 H LEU 44 2.714 1.056 3.394 284 HA LEU 44 HA LEU 44 4.676 -0.777 2.382 285 HB2 LEU 44 1HB LEU 44 2.445 -1.244 1.801 286 HB3 LEU 44 2HB LEU 44 2.153 0.410 1.270 287 HG LEU 44 HG LEU 44 3.842 -0.097 -0.596 288 HD11 LEU 44 1HD1 LEU 44 3.076 -2.927 -0.433 289 HD12 LEU 44 2HD1 LEU 44 4.253 -2.399 0.769 290 HD13 LEU 44 3HD1 LEU 44 4.590 -2.184 -0.948 291 HD21 LEU 44 1HD2 LEU 44 2.120 -0.705 -2.019 292 HD22 LEU 44 2HD2 LEU 44 1.255 0.024 -0.664 293 HD23 LEU 44 3HD2 LEU 44 1.346 -1.732 -0.811 294 H VAL 45 H VAL 45 3.655 2.525 1.603 295 HA VAL 45 HA VAL 45 5.406 2.867 -0.598 296 HB VAL 45 HB VAL 45 4.155 4.948 1.201 297 HG11 VAL 45 1HG1 VAL 45 6.229 5.340 -0.539 298 HG12 VAL 45 2HG1 VAL 45 4.821 5.696 -1.543 299 HG13 VAL 45 3HG1 VAL 45 5.073 6.573 -0.033 300 HG21 VAL 45 1HG2 VAL 45 2.257 4.364 0.197 301 HG22 VAL 45 2HG2 VAL 45 2.945 4.965 -1.311 302 HG23 VAL 45 3HG2 VAL 45 3.101 3.260 -0.888 303 H TYR 46 H TYR 46 5.604 4.163 2.723 304 HA TYR 46 HA TYR 46 8.088 5.332 2.586 305 HB2 TYR 46 1HB TYR 46 6.667 3.968 4.864 306 HB3 TYR 46 2HB TYR 46 8.235 4.737 5.083 307 HD1 TYR 46 1HD TYR 46 8.272 7.216 3.922 308 HD2 TYR 46 2HD TYR 46 4.861 5.233 5.512 309 HE1 TYR 46 1HE TYR 46 7.166 9.389 4.245 310 HE2 TYR 46 2HE TYR 46 3.744 7.400 5.838 311 HH TYR 46 HH TYR 46 5.326 10.309 5.777 312 H ARG 47 H ARG 47 7.424 2.022 3.742 313 HA ARG 47 HA ARG 47 10.023 1.179 4.114 314 HB2 ARG 47 1HB ARG 47 8.001 -0.111 4.745 315 HB3 ARG 47 2HB ARG 47 7.741 -0.494 3.048 316 HG2 ARG 47 1HG ARG 47 8.779 -2.390 3.883 317 HG3 ARG 47 2HG ARG 47 10.102 -1.501 3.126 318 HD2 ARG 47 1HD ARG 47 10.897 -2.258 5.230 319 HD3 ARG 47 2HD ARG 47 10.601 -0.527 5.389 320 HE ARG 47 HE ARG 47 8.382 -2.166 6.203 321 HH11 ARG 47 2HH1 ARG 47 11.370 -0.682 7.199 322 HH12 ARG 47 1HH1 ARG 47 10.948 -0.656 8.878 323 HH21 ARG 47 2HH2 ARG 47 7.816 -2.138 8.412 324 HH22 ARG 47 1HH2 ARG 47 8.926 -1.485 9.568 325 H LEU 48 H LEU 48 8.063 0.632 1.179 326 HA LEU 48 HA LEU 48 9.750 -0.596 -0.487 327 HB2 LEU 48 1HB LEU 48 7.904 1.702 -0.987 328 HB3 LEU 48 2HB LEU 48 8.878 1.050 -2.303 329 HG LEU 48 HG LEU 48 7.047 -0.690 -0.674 330 HD11 LEU 48 1HD1 LEU 48 5.578 0.963 -1.503 331 HD12 LEU 48 2HD1 LEU 48 5.450 -0.407 -2.606 332 HD13 LEU 48 3HD1 LEU 48 6.394 1.010 -3.067 333 HD21 LEU 48 1HD2 LEU 48 8.792 -1.751 -2.063 334 HD22 LEU 48 2HD2 LEU 48 8.123 -0.944 -3.481 335 HD23 LEU 48 3HD2 LEU 48 7.159 -2.134 -2.606 336 H GLN 49 H GLN 49 10.017 2.779 0.483 337 HA GLN 49 HA GLN 49 12.787 2.780 -0.424 338 HB2 GLN 49 1HB GLN 49 10.621 4.497 -1.523 339 HB3 GLN 49 2HB GLN 49 12.186 5.250 -1.243 340 HG2 GLN 49 1HG GLN 49 13.048 3.127 -2.547 341 HG3 GLN 49 2HG GLN 49 11.407 3.153 -3.190 342 HE21 GLN 49 1HE2 GLN 49 11.212 6.056 -2.980 343 HE22 GLN 49 2HE2 GLN 49 12.160 6.693 -4.275 344 HA PRO 50 HA PRO 50 12.841 4.609 3.673 345 HB2 PRO 50 1HB PRO 50 15.539 4.494 3.944 346 HB3 PRO 50 2HB PRO 50 14.489 3.092 4.183 347 HG2 PRO 50 1HG PRO 50 16.115 3.855 1.788 348 HG3 PRO 50 2HG PRO 50 15.907 2.262 2.538 349 HD2 PRO 50 1HD PRO 50 14.559 3.012 0.312 350 HD3 PRO 50 2HD PRO 50 13.869 1.910 1.520 351 H GLY 51 H GLY 51 14.626 5.618 0.827 352 HA2 GLY 51 1HA GLY 51 15.840 7.940 1.703 353 HA3 GLY 51 2HA GLY 51 15.209 7.711 0.079 354 H LEU 52 H LEU 52 12.504 7.561 0.534 355 HA LEU 52 HA LEU 52 11.756 10.244 0.661 356 HB2 LEU 52 1HB LEU 52 10.220 7.681 0.906 357 HB3 LEU 52 2HB LEU 52 9.417 9.244 1.050 358 HG LEU 52 HG LEU 52 11.086 8.743 -1.362 359 HD11 LEU 52 1HD1 LEU 52 8.313 7.616 -0.997 360 HD12 LEU 52 2HD1 LEU 52 9.799 6.674 -1.114 361 HD13 LEU 52 3HD1 LEU 52 9.250 7.627 -2.492 362 HD21 LEU 52 1HD2 LEU 52 10.196 10.844 -1.466 363 HD22 LEU 52 2HD2 LEU 52 8.750 10.400 -0.558 364 HD23 LEU 52 3HD2 LEU 52 8.905 9.934 -2.253 365 H LEU 53 H LEU 53 10.551 11.417 2.219 366 HA LEU 53 HA LEU 53 11.521 11.416 4.790 367 HB2 LEU 53 1HB LEU 53 9.749 12.902 5.366 368 HB3 LEU 53 2HB LEU 53 10.240 13.243 3.708 369 HG LEU 53 HG LEU 53 7.959 13.375 3.529 370 HD11 LEU 53 1HD1 LEU 53 7.121 11.288 2.510 371 HD12 LEU 53 2HD1 LEU 53 8.564 10.455 3.088 372 HD13 LEU 53 3HD1 LEU 53 8.711 11.758 1.909 373 HD21 LEU 53 1HD2 LEU 53 7.594 11.000 5.347 374 HD22 LEU 53 2HD2 LEU 53 6.361 12.127 4.780 375 HD23 LEU 53 3HD2 LEU 53 7.602 12.671 5.910 376 H GLU 54 H GLU 54 9.808 11.299 6.746 377 HA GLU 54 HA GLU 54 8.739 8.554 6.680 378 HB2 GLU 54 1HB GLU 54 10.244 10.078 8.741 379 HB3 GLU 54 2HB GLU 54 8.995 8.979 9.309 380 HG2 GLU 54 1HG GLU 54 10.062 7.126 8.189 381 HG3 GLU 54 2HG GLU 54 11.272 8.206 7.499 382 HA PRO 55 HA PRO 55 4.709 9.955 7.697 383 HB2 PRO 55 1HB PRO 55 3.871 8.107 9.501 384 HB3 PRO 55 2HB PRO 55 4.061 7.752 7.780 385 HG2 PRO 55 1HG PRO 55 5.916 7.156 10.053 386 HG3 PRO 55 2HG PRO 55 5.454 6.125 8.686 387 HD2 PRO 55 1HD PRO 55 7.797 7.479 8.763 388 HD3 PRO 55 2HD PRO 55 6.931 7.156 7.248 389 H SER 56 H SER 56 7.193 10.321 9.796 390 HA SER 56 HA SER 56 6.473 10.668 12.325 391 HB2 SER 56 1HB SER 56 7.906 12.619 12.483 392 HB3 SER 56 2HB SER 56 8.613 11.481 11.336 393 HG SER 56 HG SER 56 6.955 13.634 10.542 394 H GLU 57 H GLU 57 5.263 12.622 9.666 395 HA GLU 57 HA GLU 57 3.740 14.338 11.439 396 HB2 GLU 57 1HB GLU 57 3.973 14.175 8.435 397 HB3 GLU 57 2HB GLU 57 2.879 15.283 9.250 398 HG2 GLU 57 1HG GLU 57 4.884 16.198 10.462 399 HG3 GLU 57 2HG GLU 57 5.879 15.240 9.366 400 H LEU 58 H LEU 58 3.106 11.811 9.037 401 HA LEU 58 HA LEU 58 0.360 11.837 8.967 402 HB2 LEU 58 1HB LEU 58 2.420 9.728 8.652 403 HB3 LEU 58 2HB LEU 58 0.747 9.206 8.831 404 HG LEU 58 HG LEU 58 0.137 10.546 6.861 405 HD11 LEU 58 1HD1 LEU 58 3.004 11.327 7.036 406 HD12 LEU 58 2HD1 LEU 58 1.587 12.307 6.659 407 HD13 LEU 58 3HD1 LEU 58 2.245 11.207 5.448 408 HD21 LEU 58 1HD2 LEU 58 2.245 9.081 5.587 409 HD22 LEU 58 2HD2 LEU 58 0.520 8.720 5.659 410 HD23 LEU 58 3HD2 LEU 58 1.595 8.148 6.936 411 H GLN 59 H GLN 59 2.467 10.431 11.418 412 HA GLN 59 HA GLN 59 0.924 8.845 12.915 413 HB2 GLN 59 1HB GLN 59 2.097 9.570 14.886 414 HB3 GLN 59 2HB GLN 59 3.210 9.624 13.524 415 HG2 GLN 59 1HG GLN 59 2.744 12.070 13.344 416 HG3 GLN 59 2HG GLN 59 1.827 11.944 14.844 417 HE21 GLN 59 1HE2 GLN 59 3.720 13.668 15.041 418 HE22 GLN 59 2HE2 GLN 59 5.112 13.068 15.868 419 H GLY 60 H GLY 60 0.783 12.402 13.124 420 HA2 GLY 60 1HA GLY 60 -1.525 12.310 14.856 421 HA3 GLY 60 2HA GLY 60 -0.770 13.752 14.195 422 H LEU 61 H LEU 61 -0.914 13.171 11.470 423 HA LEU 61 HA LEU 61 -3.229 14.237 10.626 424 HB2 LEU 61 1HB LEU 61 -1.593 12.074 9.329 425 HB3 LEU 61 2HB LEU 61 -2.956 12.841 8.516 426 HG LEU 61 HG LEU 61 -0.559 14.357 9.531 427 HD11 LEU 61 1HD1 LEU 61 -0.625 14.246 6.705 428 HD12 LEU 61 2HD1 LEU 61 -0.725 12.592 7.309 429 HD13 LEU 61 3HD1 LEU 61 0.613 13.630 7.800 430 HD21 LEU 61 1HD2 LEU 61 -2.170 15.375 7.304 431 HD22 LEU 61 2HD2 LEU 61 -1.531 16.209 8.722 432 HD23 LEU 61 3HD2 LEU 61 -3.025 15.278 8.845 433 H GLY 62 H GLY 62 -5.219 13.442 9.736 434 HA2 GLY 62 1HA GLY 62 -6.441 11.457 11.389 435 HA3 GLY 62 2HA GLY 62 -7.198 12.303 10.048 436 H ALA 63 H ALA 63 -7.999 9.859 10.154 437 HA ALA 63 HA ALA 63 -6.410 7.812 9.113 438 HB1 ALA 63 1HB ALA 63 -9.267 7.844 8.348 439 HB2 ALA 63 2HB ALA 63 -8.302 6.565 9.084 440 HB3 ALA 63 3HB ALA 63 -8.900 7.897 10.073 441 H LEU 64 H LEU 64 -8.326 10.290 7.488 442 HA LEU 64 HA LEU 64 -7.816 9.221 4.864 443 HB2 LEU 64 1HB LEU 64 -9.788 10.730 5.796 444 HB3 LEU 64 2HB LEU 64 -8.718 12.024 5.259 445 HG LEU 64 HG LEU 64 -8.797 11.200 2.988 446 HD11 LEU 64 1HD1 LEU 64 -9.669 8.792 4.252 447 HD12 LEU 64 2HD1 LEU 64 -9.183 9.058 2.578 448 HD13 LEU 64 3HD1 LEU 64 -10.864 9.293 3.056 449 HD21 LEU 64 1HD2 LEU 64 -11.665 11.107 3.748 450 HD22 LEU 64 2HD2 LEU 64 -10.854 12.040 2.489 451 HD23 LEU 64 3HD2 LEU 64 -10.745 12.551 4.175 452 H GLU 65 H GLU 65 -6.787 12.126 6.649 453 HA GLU 65 HA GLU 65 -5.181 13.370 4.860 454 HB2 GLU 65 1HB GLU 65 -4.826 12.920 7.808 455 HB3 GLU 65 2HB GLU 65 -3.638 13.838 6.893 456 HG2 GLU 65 1HG GLU 65 -6.571 14.484 7.100 457 HG3 GLU 65 2HG GLU 65 -5.274 15.282 7.988 458 H ALA 66 H ALA 66 -4.533 10.340 6.473 459 HA ALA 66 HA ALA 66 -1.777 10.168 5.793 460 HB1 ALA 66 1HB ALA 66 -3.434 7.725 6.207 461 HB2 ALA 66 2HB ALA 66 -1.803 8.091 6.770 462 HB3 ALA 66 3HB ALA 66 -3.195 8.841 7.552 463 H THR 67 H THR 67 -4.484 8.202 4.553 464 HA THR 67 HA THR 67 -3.306 6.985 2.445 465 HB THR 67 HB THR 67 -6.066 8.219 2.335 466 HG1 THR 67 1HG THR 67 -5.876 6.882 4.146 467 HG21 THR 67 1HG2 THR 67 -5.529 7.483 0.158 468 HG22 THR 67 2HG2 THR 67 -6.473 6.172 0.868 469 HG23 THR 67 3HG2 THR 67 -4.719 6.037 0.762 470 H ALA 68 H ALA 68 -4.394 10.333 2.561 471 HA ALA 68 HA ALA 68 -4.207 11.030 -0.113 472 HB1 ALA 68 1HB ALA 68 -5.114 12.530 1.565 473 HB2 ALA 68 2HB ALA 68 -3.518 12.713 2.293 474 HB3 ALA 68 3HB ALA 68 -3.821 13.326 0.668 475 H TRP 69 H TRP 69 -1.649 11.079 2.358 476 HA TRP 69 HA TRP 69 0.399 12.066 0.723 477 HB2 TRP 69 1HB TRP 69 0.671 12.023 3.120 478 HB3 TRP 69 2HB TRP 69 0.515 10.268 3.151 479 HD1 TRP 69 HD TRP 69 3.012 13.039 2.328 480 HE1 TRP 69 1HE TRP 69 5.361 12.004 2.132 481 HE3 TRP 69 3HE TRP 69 1.742 8.094 2.573 482 HZ2 TRP 69 2HZ TRP 69 6.521 9.432 2.087 483 HZ3 TRP 69 3HZ TRP 69 3.531 6.408 2.446 484 HH2 TRP 69 HH TRP 69 5.870 7.067 2.208 485 H ALA 70 H ALA 70 -0.187 8.681 1.699 486 HA ALA 70 HA ALA 70 1.693 7.368 0.261 487 HB1 ALA 70 1HB ALA 70 -0.239 6.462 1.731 488 HB2 ALA 70 2HB ALA 70 -1.106 6.315 0.202 489 HB3 ALA 70 3HB ALA 70 0.411 5.449 0.442 490 H LEU 71 H LEU 71 -1.528 8.217 -1.019 491 HA LEU 71 HA LEU 71 -1.100 7.320 -3.629 492 HB2 LEU 71 1HB LEU 71 -2.900 9.434 -2.485 493 HB3 LEU 71 2HB LEU 71 -2.894 9.045 -4.204 494 HG LEU 71 HG LEU 71 -3.315 6.834 -2.253 495 HD11 LEU 71 1HD1 LEU 71 -4.764 8.830 -1.605 496 HD12 LEU 71 2HD1 LEU 71 -5.584 7.299 -1.916 497 HD13 LEU 71 3HD1 LEU 71 -5.596 8.571 -3.138 498 HD21 LEU 71 1HD2 LEU 71 -3.251 6.990 -4.972 499 HD22 LEU 71 2HD2 LEU 71 -4.980 7.118 -4.647 500 HD23 LEU 71 3HD2 LEU 71 -4.072 5.728 -4.051 501 H LYS 72 H LYS 72 -0.068 10.215 -2.021 502 HA LYS 72 HA LYS 72 0.571 11.649 -4.433 503 HB2 LYS 72 1HB LYS 72 -0.008 12.636 -2.121 504 HB3 LYS 72 2HB LYS 72 1.660 12.272 -1.698 505 HG2 LYS 72 1HG LYS 72 2.460 13.707 -3.475 506 HG3 LYS 72 2HG LYS 72 0.802 14.023 -3.993 507 HD2 LYS 72 1HD LYS 72 0.374 14.956 -1.696 508 HD3 LYS 72 2HD LYS 72 2.110 14.834 -1.401 509 HE2 LYS 72 1HE LYS 72 0.886 16.367 -3.690 510 HE3 LYS 72 2HE LYS 72 1.335 17.091 -2.147 511 HZ1 LYS 72 1HZ LYS 72 3.206 17.474 -3.371 512 HZ2 LYS 72 2HZ LYS 72 3.056 16.058 -4.284 513 HZ3 LYS 72 3HZ LYS 72 3.616 15.980 -2.690 514 H VAL 73 H VAL 73 2.694 10.658 -1.746 515 HA VAL 73 HA VAL 73 5.103 10.865 -3.055 516 HB VAL 73 HB VAL 73 4.258 8.962 -0.879 517 HG11 VAL 73 1HG1 VAL 73 6.062 7.758 -1.513 518 HG12 VAL 73 2HG1 VAL 73 6.793 9.108 -2.384 519 HG13 VAL 73 3HG1 VAL 73 6.931 9.012 -0.629 520 HG21 VAL 73 1HG2 VAL 73 4.259 11.082 0.029 521 HG22 VAL 73 2HG2 VAL 73 5.910 10.556 0.359 522 HG23 VAL 73 3HG2 VAL 73 5.582 11.637 -0.996 523 H ALA 74 H ALA 74 2.674 8.418 -3.391 524 HA ALA 74 HA ALA 74 4.410 6.516 -4.697 525 HB1 ALA 74 1HB ALA 74 1.403 6.477 -4.694 526 HB2 ALA 74 2HB ALA 74 2.516 5.121 -4.883 527 HB3 ALA 74 3HB ALA 74 2.365 5.928 -3.322 528 H GLU 75 H GLU 75 1.898 8.817 -5.669 529 HA GLU 75 HA GLU 75 2.122 8.143 -8.456 530 HB2 GLU 75 1HB GLU 75 -0.008 8.918 -7.606 531 HB3 GLU 75 2HB GLU 75 0.720 10.416 -7.042 532 HG2 GLU 75 1HG GLU 75 0.722 9.636 -9.937 533 HG3 GLU 75 2HG GLU 75 -0.622 10.502 -9.196 534 H ASN 76 H ASN 76 3.816 10.153 -6.298 535 HA ASN 76 HA ASN 76 4.787 11.937 -8.389 536 HB2 ASN 76 1HB ASN 76 4.894 11.898 -5.414 537 HB3 ASN 76 2HB ASN 76 6.208 12.710 -6.262 538 HD21 ASN 76 1HD2 ASN 76 3.010 12.917 -5.176 539 HD22 ASN 76 2HD2 ASN 76 2.613 14.443 -5.883 540 H GLU 77 H GLU 77 6.271 9.863 -5.890 541 HA GLU 77 HA GLU 77 8.761 9.782 -7.353 542 HB2 GLU 77 1HB GLU 77 7.800 8.828 -4.703 543 HB3 GLU 77 2HB GLU 77 9.175 7.994 -5.413 544 HG2 GLU 77 1HG GLU 77 10.020 10.486 -5.751 545 HG3 GLU 77 2HG GLU 77 8.957 10.755 -4.371 546 H LEU 78 H LEU 78 6.778 7.143 -6.005 547 HA LEU 78 HA LEU 78 7.822 5.140 -7.642 548 HB2 LEU 78 1HB LEU 78 5.014 5.148 -6.574 549 HB3 LEU 78 2HB LEU 78 6.056 3.761 -6.886 550 HG LEU 78 HG LEU 78 6.498 5.801 -4.706 551 HD11 LEU 78 1HD1 LEU 78 5.690 2.962 -4.250 552 HD12 LEU 78 2HD1 LEU 78 4.466 4.185 -4.589 553 HD13 LEU 78 3HD1 LEU 78 5.525 4.362 -3.190 554 HD21 LEU 78 1HD2 LEU 78 8.289 4.044 -5.903 555 HD22 LEU 78 2HD2 LEU 78 7.789 3.230 -4.421 556 HD23 LEU 78 3HD2 LEU 78 8.478 4.852 -4.348 557 H GLY 79 H GLY 79 5.502 7.594 -8.319 558 HA2 GLY 79 1HA GLY 79 4.444 8.173 -10.275 559 HA3 GLY 79 2HA GLY 79 5.476 7.008 -11.090 560 H ILE 80 H ILE 80 3.559 5.851 -8.481 561 HA ILE 80 HA ILE 80 2.072 4.157 -10.288 562 HB ILE 80 HB ILE 80 1.969 4.364 -7.276 563 HG12 ILE 80 1HG1 ILE 80 4.141 3.599 -8.220 564 HG13 ILE 80 2HG1 ILE 80 3.329 2.359 -7.270 565 HG21 ILE 80 1HG2 ILE 80 0.345 2.900 -9.203 566 HG22 ILE 80 2HG2 ILE 80 1.070 1.866 -7.973 567 HG23 ILE 80 3HG2 ILE 80 0.057 3.228 -7.494 568 HD11 ILE 80 1HD1 ILE 80 4.239 2.243 -9.956 569 HD12 ILE 80 2HD1 ILE 80 3.497 0.975 -8.981 570 HD13 ILE 80 3HD1 ILE 80 2.487 2.052 -9.945 571 H THR 81 H THR 81 0.781 5.707 -11.381 572 HA THR 81 HA THR 81 -0.798 7.690 -10.515 573 HB THR 81 HB THR 81 -1.781 5.525 -12.385 574 HG1 THR 81 1HG THR 81 -0.625 6.509 -13.923 575 HG21 THR 81 1HG2 THR 81 -2.524 8.410 -12.585 576 HG22 THR 81 2HG2 THR 81 -3.356 7.388 -11.414 577 HG23 THR 81 3HG2 THR 81 -3.405 6.983 -13.129 578 HA PRO 82 HA PRO 82 -3.458 6.045 -7.390 579 HB2 PRO 82 1HB PRO 82 -5.188 8.132 -7.261 580 HB3 PRO 82 2HB PRO 82 -3.560 8.190 -6.576 581 HG2 PRO 82 1HG PRO 82 -4.559 9.272 -9.183 582 HG3 PRO 82 2HG PRO 82 -3.464 10.021 -8.007 583 HD2 PRO 82 1HD PRO 82 -2.575 8.827 -10.267 584 HD3 PRO 82 2HD PRO 82 -1.638 8.834 -8.759 585 H VAL 83 H VAL 83 -4.359 4.303 -8.579 586 HA VAL 83 HA VAL 83 -6.399 4.623 -10.519 587 HB VAL 83 HB VAL 83 -4.893 2.552 -9.983 588 HG11 VAL 83 1HG1 VAL 83 -7.244 1.423 -8.614 589 HG12 VAL 83 2HG1 VAL 83 -5.524 1.107 -8.372 590 HG13 VAL 83 3HG1 VAL 83 -6.268 2.540 -7.660 591 HG21 VAL 83 1HG2 VAL 83 -7.220 2.966 -11.461 592 HG22 VAL 83 2HG2 VAL 83 -6.063 1.649 -11.647 593 HG23 VAL 83 3HG2 VAL 83 -7.478 1.440 -10.616 594 H VAL 84 H VAL 84 -6.397 4.650 -7.074 595 HA VAL 84 HA VAL 84 -9.337 4.796 -7.095 596 HB VAL 84 HB VAL 84 -7.613 3.403 -5.044 597 HG11 VAL 84 1HG1 VAL 84 -9.480 4.791 -4.080 598 HG12 VAL 84 2HG1 VAL 84 -10.603 3.741 -4.948 599 HG13 VAL 84 3HG1 VAL 84 -9.544 3.069 -3.707 600 HG21 VAL 84 1HG2 VAL 84 -7.981 1.927 -6.830 601 HG22 VAL 84 2HG2 VAL 84 -9.211 1.502 -5.641 602 HG23 VAL 84 3HG2 VAL 84 -9.645 2.468 -7.050 603 H SER 85 H SER 85 -10.214 6.465 -6.004 604 HA SER 85 HA SER 85 -8.605 8.639 -5.221 605 HB2 SER 85 1HB SER 85 -11.159 8.478 -5.924 606 HB3 SER 85 2HB SER 85 -11.394 8.396 -4.178 607 HG SER 85 HG SER 85 -11.230 10.558 -5.432 608 H ALA 86 H ALA 86 -8.152 9.509 -3.191 609 HA ALA 86 HA ALA 86 -7.384 7.765 -1.184 610 HB1 ALA 86 1HB ALA 86 -8.036 10.348 -0.082 611 HB2 ALA 86 2HB ALA 86 -6.459 9.599 -0.335 612 HB3 ALA 86 3HB ALA 86 -7.222 10.512 -1.637 613 H GLN 87 H GLN 87 -10.420 9.512 -1.585 614 HA GLN 87 HA GLN 87 -11.502 8.906 0.954 615 HB2 GLN 87 1HB GLN 87 -12.506 10.683 -0.244 616 HB3 GLN 87 2HB GLN 87 -12.744 9.688 -1.676 617 HG2 GLN 87 1HG GLN 87 -14.104 8.934 0.865 618 HG3 GLN 87 2HG GLN 87 -14.742 10.262 -0.102 619 HE21 GLN 87 1HE2 GLN 87 -14.834 9.670 -2.531 620 HE22 GLN 87 2HE2 GLN 87 -15.553 8.140 -2.885 621 H ALA 88 H ALA 88 -12.034 7.407 -2.234 622 HA ALA 88 HA ALA 88 -13.796 5.416 -1.530 623 HB1 ALA 88 1HB ALA 88 -13.022 5.947 -3.838 624 HB2 ALA 88 2HB ALA 88 -11.532 5.068 -3.489 625 HB3 ALA 88 3HB ALA 88 -13.080 4.222 -3.477 626 H VAL 89 H VAL 89 -10.241 5.268 -1.430 627 HA VAL 89 HA VAL 89 -9.944 2.650 -0.567 628 HB VAL 89 HB VAL 89 -8.242 5.037 0.164 629 HG11 VAL 89 1HG1 VAL 89 -6.773 3.683 1.186 630 HG12 VAL 89 2HG1 VAL 89 -8.138 2.573 1.330 631 HG13 VAL 89 3HG1 VAL 89 -6.990 2.394 0.002 632 HG21 VAL 89 1HG2 VAL 89 -7.624 3.012 -1.955 633 HG22 VAL 89 2HG2 VAL 89 -8.649 4.403 -2.307 634 HG23 VAL 89 3HG2 VAL 89 -6.990 4.645 -1.758 635 H VAL 90 H VAL 90 -10.004 5.576 1.477 636 HA VAL 90 HA VAL 90 -10.089 4.139 3.920 637 HB VAL 90 HB VAL 90 -10.900 6.994 3.351 638 HG11 VAL 90 1HG1 VAL 90 -10.438 5.514 5.930 639 HG12 VAL 90 2HG1 VAL 90 -10.429 7.274 5.812 640 HG13 VAL 90 3HG1 VAL 90 -11.890 6.371 5.412 641 HG21 VAL 90 1HG2 VAL 90 -8.693 7.145 2.908 642 HG22 VAL 90 2HG2 VAL 90 -8.549 7.147 4.666 643 HG23 VAL 90 3HG2 VAL 90 -8.310 5.651 3.763 644 H ALA 91 H ALA 91 -12.625 6.205 2.490 645 HA ALA 91 HA ALA 91 -14.751 5.666 4.024 646 HB1 ALA 91 1HB ALA 91 -16.086 6.399 2.329 647 HB2 ALA 91 2HB ALA 91 -14.518 6.902 1.696 648 HB3 ALA 91 3HB ALA 91 -15.270 5.418 1.112 649 H GLY 92 H GLY 92 -13.449 3.471 1.573 650 HA2 GLY 92 1HA GLY 92 -13.561 1.146 1.575 651 HA3 GLY 92 2HA GLY 92 -14.664 1.224 2.940 652 H SER 93 H SER 93 -14.967 2.805 -0.212 653 HA SER 93 HA SER 93 -17.582 1.529 -0.519 654 HB2 SER 93 1HB SER 93 -17.258 4.050 -0.726 655 HB3 SER 93 2HB SER 93 -16.431 3.720 -2.249 656 HG SER 93 HG SER 93 -18.575 2.381 -2.508 657 H ASP 94 H ASP 94 -14.556 2.034 -2.294 658 HA ASP 94 HA ASP 94 -15.389 -0.040 -4.206 659 HB2 ASP 94 1HB ASP 94 -13.089 1.891 -4.524 660 HB3 ASP 94 2HB ASP 94 -13.825 0.881 -5.766 661 HA PRO 95 HA PRO 95 -12.344 -2.256 -1.591 662 HB2 PRO 95 1HB PRO 95 -13.509 -4.684 -1.935 663 HB3 PRO 95 2HB PRO 95 -14.048 -3.524 -0.714 664 HG2 PRO 95 1HG PRO 95 -15.193 -4.095 -3.420 665 HG3 PRO 95 2HG PRO 95 -16.035 -3.836 -1.881 666 HD2 PRO 95 1HD PRO 95 -15.804 -1.898 -3.759 667 HD3 PRO 95 2HD PRO 95 -15.849 -1.542 -2.020 668 H LEU 96 H LEU 96 -13.593 -2.909 -4.812 669 HA LEU 96 HA LEU 96 -11.563 -4.772 -5.546 670 HB2 LEU 96 1HB LEU 96 -13.578 -3.166 -7.082 671 HB3 LEU 96 2HB LEU 96 -12.368 -4.149 -7.903 672 HG LEU 96 HG LEU 96 -13.375 -6.021 -6.299 673 HD11 LEU 96 1HD1 LEU 96 -15.987 -4.971 -6.881 674 HD12 LEU 96 2HD1 LEU 96 -15.100 -3.878 -5.818 675 HD13 LEU 96 3HD1 LEU 96 -15.329 -5.564 -5.356 676 HD21 LEU 96 1HD2 LEU 96 -13.566 -6.738 -8.406 677 HD22 LEU 96 2HD2 LEU 96 -13.892 -5.119 -9.024 678 HD23 LEU 96 3HD2 LEU 96 -15.203 -6.086 -8.343 679 H GLY 97 H GLY 97 -12.057 -1.304 -6.146 680 HA2 GLY 97 1HA GLY 97 -9.941 -0.764 -7.817 681 HA3 GLY 97 2HA GLY 97 -10.532 0.358 -6.601 682 H LEU 98 H LEU 98 -9.831 -0.696 -4.254 683 HA LEU 98 HA LEU 98 -7.165 -0.045 -3.940 684 HB2 LEU 98 1HB LEU 98 -8.621 -0.087 -2.055 685 HB3 LEU 98 2HB LEU 98 -8.953 -1.803 -2.276 686 HG LEU 98 HG LEU 98 -6.575 -2.268 -1.684 687 HD11 LEU 98 1HD1 LEU 98 -5.276 -0.521 -0.599 688 HD12 LEU 98 2HD1 LEU 98 -6.550 0.652 -0.933 689 HD13 LEU 98 3HD1 LEU 98 -5.653 -0.078 -2.264 690 HD21 LEU 98 1HD2 LEU 98 -6.871 -1.836 0.726 691 HD22 LEU 98 2HD2 LEU 98 -8.314 -2.521 -0.023 692 HD23 LEU 98 3HD2 LEU 98 -8.246 -0.798 0.352 693 H ILE 99 H ILE 99 -8.509 -3.352 -3.836 694 HA ILE 99 HA ILE 99 -6.273 -4.853 -3.657 695 HB ILE 99 HB ILE 99 -8.560 -5.406 -5.552 696 HG12 ILE 99 1HG1 ILE 99 -8.141 -6.362 -2.714 697 HG13 ILE 99 2HG1 ILE 99 -9.169 -5.002 -3.150 698 HG21 ILE 99 1HG2 ILE 99 -7.756 -7.478 -5.921 699 HG22 ILE 99 2HG2 ILE 99 -6.210 -6.726 -5.528 700 HG23 ILE 99 3HG2 ILE 99 -7.092 -7.625 -4.293 701 HD11 ILE 99 1HD1 ILE 99 -10.566 -6.493 -4.487 702 HD12 ILE 99 2HD1 ILE 99 -9.541 -7.854 -4.030 703 HD13 ILE 99 3HD1 ILE 99 -10.481 -7.005 -2.802 704 H ALA 100 H ALA 100 -7.442 -3.258 -6.587 705 HA ALA 100 HA ALA 100 -5.410 -4.338 -8.280 706 HB1 ALA 100 1HB ALA 100 -6.202 -2.332 -9.755 707 HB2 ALA 100 2HB ALA 100 -7.265 -3.713 -9.486 708 HB3 ALA 100 3HB ALA 100 -7.499 -2.228 -8.564 709 H TYR 101 H TYR 101 -5.947 -1.080 -6.929 710 HA TYR 101 HA TYR 101 -3.790 0.275 -7.833 711 HB2 TYR 101 1HB TYR 101 -5.517 1.169 -6.270 712 HB3 TYR 101 2HB TYR 101 -4.701 0.341 -4.949 713 HD1 TYR 101 1HD TYR 101 -3.326 2.310 -7.807 714 HD2 TYR 101 2HD TYR 101 -3.788 1.985 -3.590 715 HE1 TYR 101 1HE TYR 101 -1.857 4.258 -7.502 716 HE2 TYR 101 2HE TYR 101 -2.321 3.932 -3.273 717 HH TYR 101 HH TYR 101 -1.473 6.020 -5.761 718 H LEU 102 H LEU 102 -3.783 -1.988 -5.101 719 HA LEU 102 HA LEU 102 -1.092 -1.652 -4.373 720 HB2 LEU 102 1HB LEU 102 -2.782 -4.132 -4.106 721 HB3 LEU 102 2HB LEU 102 -1.316 -3.765 -3.200 722 HG LEU 102 HG LEU 102 -3.898 -2.214 -3.011 723 HD11 LEU 102 1HD1 LEU 102 -4.438 -4.208 -1.991 724 HD12 LEU 102 2HD1 LEU 102 -3.777 -3.282 -0.643 725 HD13 LEU 102 3HD1 LEU 102 -2.786 -4.500 -1.445 726 HD21 LEU 102 1HD2 LEU 102 -2.273 -0.706 -2.382 727 HD22 LEU 102 2HD2 LEU 102 -1.207 -1.957 -1.740 728 HD23 LEU 102 3HD2 LEU 102 -2.651 -1.482 -0.844 729 H SER 103 H SER 103 -2.637 -3.703 -6.770 730 HA SER 103 HA SER 103 -0.620 -5.477 -7.373 731 HB2 SER 103 1HB SER 103 -2.877 -5.521 -8.393 732 HB3 SER 103 2HB SER 103 -2.448 -4.116 -9.368 733 HG SER 103 HG SER 103 -0.985 -5.329 -10.477 734 H HIS 104 H HIS 104 -1.003 -2.138 -8.466 735 HA HIS 104 HA HIS 104 1.082 -2.067 -10.325 736 HB2 HIS 104 1HB HIS 104 0.142 0.188 -8.542 737 HB3 HIS 104 2HB HIS 104 1.033 0.357 -10.050 738 HD1 HIS 104 1HD HIS 104 -0.339 0.637 -12.103 739 HD2 HIS 104 2HD HIS 104 -2.533 -0.974 -8.964 740 HE1 HIS 104 1HE HIS 104 -2.711 0.523 -12.929 741 HE2 HIS 104 2HE HIS 104 -4.033 -0.374 -10.983 742 H PHE 105 H PHE 105 1.090 -1.543 -6.831 743 HA PHE 105 HA PHE 105 3.761 -0.690 -6.601 744 HB2 PHE 105 1HB PHE 105 1.829 -1.962 -4.676 745 HB3 PHE 105 2HB PHE 105 3.483 -1.593 -4.198 746 HD1 PHE 105 1HD PHE 105 0.288 -0.141 -5.310 747 HD2 PHE 105 2HD PHE 105 4.168 0.631 -3.738 748 HE1 PHE 105 1HE PHE 105 -0.380 2.173 -4.808 749 HE2 PHE 105 2HE PHE 105 3.505 2.946 -3.232 750 HZ PHE 105 HZ PHE 105 1.229 3.720 -3.767 751 H HIS 106 H HIS 106 2.323 -3.915 -6.131 752 HA HIS 106 HA HIS 106 4.807 -5.220 -5.711 753 HB2 HIS 106 1HB HIS 106 2.533 -6.064 -4.998 754 HB3 HIS 106 2HB HIS 106 2.250 -6.501 -6.680 755 HD1 HIS 106 1HD HIS 106 2.038 -8.974 -5.643 756 HD2 HIS 106 2HD HIS 106 5.829 -7.274 -5.592 757 HE1 HIS 106 1HE HIS 106 3.628 -10.887 -5.270 758 HE2 HIS 106 2HE HIS 106 5.908 -9.822 -5.157 759 H SER 107 H SER 107 2.559 -5.509 -8.469 760 HA SER 107 HA SER 107 3.943 -6.941 -10.241 761 HB2 SER 107 1HB SER 107 2.317 -4.452 -10.655 762 HB3 SER 107 2HB SER 107 3.098 -5.229 -12.031 763 HG SER 107 HG SER 107 2.017 -7.205 -11.236 764 H ALA 108 H ALA 108 4.730 -3.652 -9.302 765 HA ALA 108 HA ALA 108 6.933 -3.527 -11.204 766 HB1 ALA 108 1HB ALA 108 5.621 -1.523 -10.945 767 HB2 ALA 108 2HB ALA 108 5.912 -1.513 -9.205 768 HB3 ALA 108 3HB ALA 108 7.246 -1.235 -10.323 769 H PHE 109 H PHE 109 6.427 -3.491 -7.689 770 HA PHE 109 HA PHE 109 9.300 -3.753 -7.251 771 HB2 PHE 109 1HB PHE 109 6.961 -3.243 -5.424 772 HB3 PHE 109 2HB PHE 109 8.552 -3.651 -4.794 773 HD1 PHE 109 2HD PHE 109 10.504 -2.158 -5.417 774 HD2 PHE 109 1HD PHE 109 6.440 -1.057 -6.044 775 HE1 PHE 109 2HE PHE 109 11.171 0.205 -5.576 776 HE2 PHE 109 1HE PHE 109 7.101 1.307 -6.203 777 HZ PHE 109 HZ PHE 109 9.469 1.941 -5.968 778 H LYS 110 H LYS 110 8.099 -5.938 -8.521 779 HA LYS 110 HA LYS 110 7.299 -8.008 -6.806 780 HB2 LYS 110 1HB LYS 110 8.401 -7.874 -9.579 781 HB3 LYS 110 2HB LYS 110 8.322 -9.440 -8.781 782 HG2 LYS 110 1HG LYS 110 5.887 -7.743 -8.764 783 HG3 LYS 110 2HG LYS 110 6.347 -8.532 -10.273 784 HD2 LYS 110 1HD LYS 110 6.491 -10.686 -8.955 785 HD3 LYS 110 2HD LYS 110 5.725 -9.819 -7.622 786 HE2 LYS 110 1HE LYS 110 4.539 -9.996 -10.385 787 HE3 LYS 110 2HE LYS 110 4.174 -11.145 -9.100 788 HZ1 LYS 110 1HZ LYS 110 2.596 -9.203 -9.405 789 HZ2 LYS 110 2HZ LYS 110 3.809 -8.235 -8.730 790 HZ3 LYS 110 3HZ LYS 110 3.139 -9.502 -7.830 791 H SER 111 H SER 111 10.504 -7.239 -8.144 792 HA SER 111 HA SER 111 11.815 -9.338 -6.715 793 HB2 SER 111 1HB SER 111 12.877 -8.652 -8.718 794 HB3 SER 111 2HB SER 111 12.805 -6.949 -8.266 795 HG SER 111 HG SER 111 14.191 -8.636 -6.549 796 H GLY 112 H GLY 112 11.663 -9.240 -4.538 797 HA2 GLY 112 1HA GLY 112 12.343 -6.692 -3.223 798 HA3 GLY 112 2HA GLY 112 11.416 -7.992 -2.488 799 HA PRO 113 HA PRO 113 15.695 -8.321 -0.824 800 HB2 PRO 113 1HB PRO 113 14.898 -8.978 1.688 801 HB3 PRO 113 2HB PRO 113 15.035 -7.306 1.128 802 HG2 PRO 113 1HG PRO 113 12.601 -9.033 1.358 803 HG3 PRO 113 2HG PRO 113 12.808 -7.329 1.800 804 HD2 PRO 113 1HD PRO 113 11.615 -8.101 -0.505 805 HD3 PRO 113 2HD PRO 113 12.560 -6.605 -0.375 806 H SER 114 H SER 114 13.123 -10.395 -1.429 807 HA SER 114 HA SER 114 13.959 -12.760 -0.139 808 HB2 SER 114 1HB SER 114 12.476 -13.918 -1.720 809 HB3 SER 114 2HB SER 114 11.696 -12.479 -1.066 810 HG SER 114 HG SER 114 13.141 -12.190 -3.430 811 H SER 115 H SER 115 15.906 -13.630 -0.407 812 HA SER 115 HA SER 115 17.685 -13.226 -2.468 813 HB2 SER 115 1HB SER 115 18.491 -14.238 -0.472 814 HB3 SER 115 2HB SER 115 17.349 -15.575 -0.601 815 HG SER 115 HG SER 115 18.847 -16.574 -1.665 816 H GLY 116 H GLY 116 18.448 -14.705 -4.150 817 HA2 GLY 116 1HA GLY 116 17.184 -16.937 -5.126 818 HA3 GLY 116 2HA GLY 116 16.271 -15.589 -5.787 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.542 -20.550 -20.776 2 HA2 GLY 1 1HA GLY 1 -0.136 -18.729 -20.729 3 HA3 GLY 1 2HA GLY 1 -0.601 -18.491 -19.051 4 H SER 2 H SER 2 1.782 -19.701 -21.206 5 HA SER 2 HA SER 2 3.266 -21.389 -19.574 6 HB2 SER 2 1HB SER 2 3.683 -21.009 -22.002 7 HB3 SER 2 2HB SER 2 4.375 -19.437 -21.604 8 HG SER 2 HG SER 2 5.898 -20.609 -20.275 9 H SER 3 H SER 3 3.718 -17.886 -20.059 10 HA SER 3 HA SER 3 5.108 -17.808 -17.460 11 HB2 SER 3 1HB SER 3 6.353 -17.222 -19.707 12 HB3 SER 3 2HB SER 3 5.520 -15.679 -19.526 13 HG SER 3 HG SER 3 7.742 -16.204 -18.456 14 H GLY 4 H GLY 4 3.265 -17.384 -16.241 15 HA2 GLY 4 1HA GLY 4 2.494 -14.633 -16.118 16 HA3 GLY 4 2HA GLY 4 1.205 -15.639 -16.762 17 H SER 5 H SER 5 0.274 -17.254 -15.428 18 HA SER 5 HA SER 5 -0.668 -17.961 -13.479 19 HB2 SER 5 1HB SER 5 2.249 -17.779 -12.847 20 HB3 SER 5 2HB SER 5 1.119 -18.111 -11.534 21 HG SER 5 HG SER 5 1.819 -19.677 -13.728 22 H SER 6 H SER 6 -1.220 -15.352 -13.967 23 HA SER 6 HA SER 6 -1.118 -14.154 -11.278 24 HB2 SER 6 1HB SER 6 0.323 -12.973 -12.996 25 HB3 SER 6 2HB SER 6 -1.164 -12.568 -13.851 26 HG SER 6 HG SER 6 -1.714 -11.806 -11.505 27 H GLY 7 H GLY 7 -3.080 -14.164 -10.412 28 HA2 GLY 7 1HA GLY 7 -5.329 -13.091 -11.860 29 HA3 GLY 7 2HA GLY 7 -5.461 -14.814 -11.542 30 H THR 8 H THR 8 -4.468 -15.097 -9.048 31 HA THR 8 HA THR 8 -6.550 -13.867 -7.455 32 HB THR 8 HB THR 8 -4.408 -15.765 -6.495 33 HG1 THR 8 1HG THR 8 -6.001 -16.375 -8.349 34 HG21 THR 8 1HG2 THR 8 -7.163 -15.709 -5.396 35 HG22 THR 8 2HG2 THR 8 -6.107 -14.355 -4.993 36 HG23 THR 8 3HG2 THR 8 -5.626 -16.002 -4.584 37 H GLN 9 H GLN 9 -6.253 -12.519 -5.698 38 HA GLN 9 HA GLN 9 -3.806 -10.961 -5.745 39 HB2 GLN 9 1HB GLN 9 -4.969 -9.341 -4.470 40 HB3 GLN 9 2HB GLN 9 -6.131 -9.956 -5.637 41 HG2 GLN 9 1HG GLN 9 -6.032 -11.251 -2.973 42 HG3 GLN 9 2HG GLN 9 -6.727 -9.635 -3.083 43 HE21 GLN 9 1HE2 GLN 9 -8.839 -9.679 -3.249 44 HE22 GLN 9 2HE2 GLN 9 -9.777 -10.854 -4.099 45 H GLU 10 H GLU 10 -3.899 -13.737 -4.653 46 HA GLU 10 HA GLU 10 -3.700 -13.640 -1.834 47 HB2 GLU 10 1HB GLU 10 -4.109 -15.744 -2.932 48 HB3 GLU 10 2HB GLU 10 -2.613 -15.612 -3.846 49 HG2 GLU 10 1HG GLU 10 -2.107 -17.133 -2.174 50 HG3 GLU 10 2HG GLU 10 -1.444 -15.615 -1.570 51 H GLU 11 H GLU 11 -1.100 -14.066 -4.244 52 HA GLU 11 HA GLU 11 1.057 -13.762 -2.553 53 HB2 GLU 11 1HB GLU 11 0.773 -12.938 -5.446 54 HB3 GLU 11 2HB GLU 11 2.306 -12.981 -4.585 55 HG2 GLU 11 1HG GLU 11 0.569 -15.233 -5.467 56 HG3 GLU 11 2HG GLU 11 2.303 -15.000 -5.683 57 H LEU 12 H LEU 12 -0.794 -11.252 -4.227 58 HA LEU 12 HA LEU 12 0.768 -9.043 -3.607 59 HB2 LEU 12 1HB LEU 12 -1.069 -8.896 -5.152 60 HB3 LEU 12 2HB LEU 12 -2.223 -9.279 -3.876 61 HG LEU 12 HG LEU 12 -1.634 -7.122 -2.781 62 HD11 LEU 12 1HD1 LEU 12 -0.121 -6.626 -5.341 63 HD12 LEU 12 2HD1 LEU 12 0.591 -6.838 -3.741 64 HD13 LEU 12 3HD1 LEU 12 -0.433 -5.440 -4.073 65 HD21 LEU 12 1HD2 LEU 12 -2.537 -6.672 -5.611 66 HD22 LEU 12 2HD2 LEU 12 -3.034 -5.820 -4.149 67 HD23 LEU 12 3HD2 LEU 12 -3.550 -7.486 -4.418 68 H LEU 13 H LEU 13 -1.975 -10.382 -1.772 69 HA LEU 13 HA LEU 13 -1.985 -8.594 0.341 70 HB2 LEU 13 1HB LEU 13 -3.764 -10.123 0.180 71 HB3 LEU 13 2HB LEU 13 -2.677 -11.510 0.178 72 HG LEU 13 HG LEU 13 -2.155 -11.048 2.556 73 HD11 LEU 13 1HD1 LEU 13 -2.674 -8.639 2.511 74 HD12 LEU 13 2HD1 LEU 13 -3.501 -9.490 3.815 75 HD13 LEU 13 3HD1 LEU 13 -4.386 -9.031 2.360 76 HD21 LEU 13 1HD2 LEU 13 -4.956 -11.279 2.938 77 HD22 LEU 13 2HD2 LEU 13 -3.736 -12.554 2.942 78 HD23 LEU 13 3HD2 LEU 13 -4.541 -12.106 1.437 79 H ARG 14 H ARG 14 -0.557 -11.858 0.528 80 HA ARG 14 HA ARG 14 0.831 -11.578 2.870 81 HB2 ARG 14 1HB ARG 14 1.441 -13.156 0.385 82 HB3 ARG 14 2HB ARG 14 2.504 -13.223 1.785 83 HG2 ARG 14 1HG ARG 14 0.966 -14.332 3.074 84 HG3 ARG 14 2HG ARG 14 -0.409 -13.710 2.159 85 HD2 ARG 14 1HD ARG 14 -0.390 -15.851 1.381 86 HD3 ARG 14 2HD ARG 14 0.717 -15.118 0.221 87 HE ARG 14 HE ARG 14 1.376 -17.011 2.309 88 HH11 ARG 14 2HH1 ARG 14 2.549 -14.658 0.026 89 HH12 ARG 14 1HH1 ARG 14 4.161 -15.293 0.001 90 HH21 ARG 14 2HH2 ARG 14 3.495 -17.855 2.286 91 HH22 ARG 14 1HH2 ARG 14 4.697 -17.112 1.287 92 H TRP 15 H TRP 15 2.045 -10.834 -0.392 93 HA TRP 15 HA TRP 15 4.601 -10.008 0.287 94 HB2 TRP 15 1HB TRP 15 3.945 -10.305 -2.027 95 HB3 TRP 15 2HB TRP 15 2.784 -8.986 -1.904 96 HD1 TRP 15 HD TRP 15 6.605 -9.568 -1.873 97 HE1 TRP 15 1HE TRP 15 7.747 -7.412 -2.694 98 HE3 TRP 15 3HE TRP 15 2.487 -6.562 -2.260 99 HZ2 TRP 15 2HZ TRP 15 7.003 -4.785 -3.410 100 HZ3 TRP 15 3HZ TRP 15 2.789 -4.240 -3.019 101 HH2 TRP 15 HH TRP 15 5.000 -3.373 -3.581 102 H CYS 16 H CYS 16 1.609 -8.105 0.175 103 HA CYS 16 HA CYS 16 2.759 -5.621 0.806 104 HB2 CYS 16 1HB CYS 16 -0.020 -6.734 1.143 105 HB3 CYS 16 2HB CYS 16 0.385 -5.097 1.644 106 HG CYS 16 HG CYS 16 -0.398 -6.210 -1.338 107 H GLN 17 H GLN 17 1.543 -8.233 2.836 108 HA GLN 17 HA GLN 17 1.541 -6.948 5.301 109 HB2 GLN 17 1HB GLN 17 2.072 -9.818 4.549 110 HB3 GLN 17 2HB GLN 17 2.008 -9.282 6.223 111 HG2 GLN 17 1HG GLN 17 -0.288 -8.453 5.822 112 HG3 GLN 17 2HG GLN 17 -0.210 -9.129 4.196 113 HE21 GLN 17 1HE2 GLN 17 -2.020 -9.768 6.380 114 HE22 GLN 17 2HE2 GLN 17 -1.828 -11.458 6.687 115 H GLU 18 H GLU 18 4.167 -8.861 3.829 116 HA GLU 18 HA GLU 18 6.067 -8.475 5.826 117 HB2 GLU 18 1HB GLU 18 6.534 -8.771 2.853 118 HB3 GLU 18 2HB GLU 18 7.744 -9.008 4.105 119 HG2 GLU 18 1HG GLU 18 5.210 -10.610 3.998 120 HG3 GLU 18 2HG GLU 18 6.670 -11.083 3.133 121 H GLN 19 H GLN 19 5.462 -6.552 2.899 122 HA GLN 19 HA GLN 19 7.519 -4.673 3.348 123 HB2 GLN 19 1HB GLN 19 4.940 -4.337 1.806 124 HB3 GLN 19 2HB GLN 19 6.345 -3.287 1.692 125 HG2 GLN 19 1HG GLN 19 6.051 -6.119 0.764 126 HG3 GLN 19 2HG GLN 19 6.466 -4.686 -0.175 127 HE21 GLN 19 1HE2 GLN 19 7.806 -7.341 0.325 128 HE22 GLN 19 2HE2 GLN 19 9.418 -6.924 0.784 129 H THR 20 H THR 20 4.298 -4.989 4.598 130 HA THR 20 HA THR 20 4.530 -2.355 5.895 131 HB THR 20 HB THR 20 2.120 -2.388 6.202 132 HG1 THR 20 1HG THR 20 2.257 -4.910 6.111 133 HG21 THR 20 1HG2 THR 20 3.129 -1.603 4.029 134 HG22 THR 20 2HG2 THR 20 1.436 -2.091 3.938 135 HG23 THR 20 3HG2 THR 20 2.698 -3.172 3.349 136 H ALA 21 H ALA 21 5.801 -4.868 6.773 137 HA ALA 21 HA ALA 21 4.331 -5.524 9.212 138 HB1 ALA 21 1HB ALA 21 5.089 -7.511 8.410 139 HB2 ALA 21 2HB ALA 21 6.523 -6.797 7.673 140 HB3 ALA 21 3HB ALA 21 6.473 -7.079 9.413 141 H GLY 22 H GLY 22 7.226 -3.878 8.131 142 HA2 GLY 22 1HA GLY 22 8.241 -3.559 10.833 143 HA3 GLY 22 2HA GLY 22 8.971 -2.933 9.362 144 H TYR 23 H TYR 23 5.662 -2.462 10.526 145 HA TYR 23 HA TYR 23 6.272 0.346 11.094 146 HB2 TYR 23 1HB TYR 23 5.368 -0.052 8.699 147 HB3 TYR 23 2HB TYR 23 3.827 -0.356 9.492 148 HD1 TYR 23 2HD TYR 23 3.472 1.576 11.485 149 HD2 TYR 23 1HD TYR 23 5.475 2.045 7.761 150 HE1 TYR 23 2HE TYR 23 3.026 3.993 11.557 151 HE2 TYR 23 1HE TYR 23 5.036 4.464 7.822 152 HH TYR 23 HH TYR 23 3.526 5.986 10.627 153 HA PRO 24 HA PRO 24 3.790 -0.663 14.626 154 HB2 PRO 24 1HB PRO 24 3.692 1.840 15.670 155 HB3 PRO 24 2HB PRO 24 5.124 0.810 15.779 156 HG2 PRO 24 1HG PRO 24 4.535 3.039 13.871 157 HG3 PRO 24 2HG PRO 24 6.042 2.670 14.729 158 HD2 PRO 24 1HD PRO 24 5.644 2.009 12.133 159 HD3 PRO 24 2HD PRO 24 6.643 1.030 13.226 160 H GLY 25 H GLY 25 1.648 -0.888 14.779 161 HA2 GLY 25 1HA GLY 25 -0.579 -0.127 14.870 162 HA3 GLY 25 2HA GLY 25 -0.106 1.299 13.959 163 H VAL 26 H VAL 26 1.131 0.155 11.770 164 HA VAL 26 HA VAL 26 -1.064 -0.464 10.128 165 HB VAL 26 HB VAL 26 1.857 -0.997 9.572 166 HG11 VAL 26 1HG1 VAL 26 0.958 -2.052 7.797 167 HG12 VAL 26 2HG1 VAL 26 -0.603 -1.249 7.977 168 HG13 VAL 26 3HG1 VAL 26 0.733 -0.414 7.184 169 HG21 VAL 26 1HG2 VAL 26 0.592 1.444 10.039 170 HG22 VAL 26 2HG2 VAL 26 2.170 1.190 9.293 171 HG23 VAL 26 3HG2 VAL 26 0.730 1.327 8.284 172 H HIS 27 H HIS 27 -2.238 -2.259 10.364 173 HA HIS 27 HA HIS 27 -0.808 -4.831 10.500 174 HB2 HIS 27 1HB HIS 27 -2.639 -5.715 11.889 175 HB3 HIS 27 2HB HIS 27 -1.826 -4.364 12.673 176 HD1 HIS 27 1HD HIS 27 -3.145 -2.051 12.655 177 HD2 HIS 27 2HD HIS 27 -5.334 -5.385 11.488 178 HE1 HIS 27 1HE HIS 27 -5.557 -1.350 12.779 179 HE2 HIS 27 2HE HIS 27 -6.865 -3.408 12.151 180 H VAL 28 H VAL 28 -0.975 -4.973 8.215 181 HA VAL 28 HA VAL 28 -3.568 -4.954 6.954 182 HB VAL 28 HB VAL 28 -0.928 -5.870 5.809 183 HG11 VAL 28 1HG1 VAL 28 -2.866 -6.669 4.566 184 HG12 VAL 28 2HG1 VAL 28 -3.493 -5.022 4.466 185 HG13 VAL 28 3HG1 VAL 28 -1.989 -5.447 3.646 186 HG21 VAL 28 1HG2 VAL 28 -0.848 -3.543 6.624 187 HG22 VAL 28 2HG2 VAL 28 -0.711 -3.649 4.869 188 HG23 VAL 28 3HG2 VAL 28 -2.236 -3.159 5.607 189 H SER 29 H SER 29 -4.870 -6.584 7.598 190 HA SER 29 HA SER 29 -3.794 -9.310 7.664 191 HB2 SER 29 1HB SER 29 -5.093 -8.426 9.631 192 HB3 SER 29 2HB SER 29 -6.515 -8.365 8.590 193 HG SER 29 HG SER 29 -5.354 -10.498 9.825 194 H ASP 30 H ASP 30 -5.755 -7.223 5.793 195 HA ASP 30 HA ASP 30 -6.078 -9.195 3.749 196 HB2 ASP 30 1HB ASP 30 -8.458 -8.359 5.393 197 HB3 ASP 30 2HB ASP 30 -8.637 -8.898 3.724 198 H LEU 31 H LEU 31 -7.621 -8.233 1.971 199 HA LEU 31 HA LEU 31 -6.840 -5.416 1.660 200 HB2 LEU 31 1HB LEU 31 -7.279 -7.660 -0.260 201 HB3 LEU 31 2HB LEU 31 -7.479 -5.997 -0.808 202 HG LEU 31 HG LEU 31 -5.107 -5.607 0.054 203 HD11 LEU 31 1HD1 LEU 31 -4.215 -7.286 1.211 204 HD12 LEU 31 2HD1 LEU 31 -4.039 -8.125 -0.330 205 HD13 LEU 31 3HD1 LEU 31 -5.457 -8.419 0.676 206 HD21 LEU 31 1HD2 LEU 31 -6.045 -6.189 -2.380 207 HD22 LEU 31 2HD2 LEU 31 -4.971 -7.571 -2.155 208 HD23 LEU 31 3HD2 LEU 31 -4.331 -5.930 -2.049 209 H SER 32 H SER 32 -8.913 -5.461 3.224 210 HA SER 32 HA SER 32 -11.193 -4.802 1.483 211 HB2 SER 32 1HB SER 32 -11.666 -6.924 2.613 212 HB3 SER 32 2HB SER 32 -11.326 -6.182 4.176 213 HG SER 32 HG SER 32 -13.321 -5.199 2.427 214 H SER 33 H SER 33 -10.488 -4.553 4.965 215 HA SER 33 HA SER 33 -10.991 -1.656 4.760 216 HB2 SER 33 1HB SER 33 -11.900 -3.678 6.767 217 HB3 SER 33 2HB SER 33 -11.605 -2.024 7.305 218 HG SER 33 HG SER 33 -13.197 -1.301 6.005 219 H SER 34 H SER 34 -8.893 -4.159 5.832 220 HA SER 34 HA SER 34 -7.435 -2.991 7.854 221 HB2 SER 34 1HB SER 34 -6.651 -4.866 5.637 222 HB3 SER 34 2HB SER 34 -5.458 -4.305 6.809 223 HG SER 34 HG SER 34 -6.971 -6.328 7.135 224 H TRP 35 H TRP 35 -7.447 -2.241 4.458 225 HA TRP 35 HA TRP 35 -5.109 -0.514 4.709 226 HB2 TRP 35 1HB TRP 35 -6.838 -1.190 2.319 227 HB3 TRP 35 2HB TRP 35 -5.408 -0.164 2.267 228 HD1 TRP 35 HD TRP 35 -6.354 -3.829 3.081 229 HE1 TRP 35 1HE TRP 35 -4.331 -5.317 2.517 230 HE3 TRP 35 3HE TRP 35 -3.000 -0.188 1.807 231 HZ2 TRP 35 2HZ TRP 35 -1.666 -4.990 1.648 232 HZ3 TRP 35 3HZ TRP 35 -0.735 -0.859 1.120 233 HH2 TRP 35 HH TRP 35 -0.083 -3.211 1.043 234 H ALA 36 H ALA 36 -8.491 -0.328 4.944 235 HA ALA 36 HA ALA 36 -9.148 2.150 3.929 236 HB1 ALA 36 1HB ALA 36 -10.543 0.316 5.223 237 HB2 ALA 36 2HB ALA 36 -10.271 1.412 6.578 238 HB3 ALA 36 3HB ALA 36 -11.084 1.992 5.125 239 H ASP 37 H ASP 37 -7.972 1.436 7.218 240 HA ASP 37 HA ASP 37 -7.955 3.806 8.447 241 HB2 ASP 37 1HB ASP 37 -5.417 2.176 8.353 242 HB3 ASP 37 2HB ASP 37 -6.034 3.145 9.688 243 H GLY 38 H GLY 38 -5.623 2.881 5.936 244 HA2 GLY 38 1HA GLY 38 -4.994 4.597 4.314 245 HA3 GLY 38 2HA GLY 38 -4.979 5.749 5.641 246 H LEU 39 H LEU 39 -3.589 4.117 7.517 247 HA LEU 39 HA LEU 39 -0.949 4.783 6.950 248 HB2 LEU 39 1HB LEU 39 -2.304 3.036 8.928 249 HB3 LEU 39 2HB LEU 39 -0.565 2.836 8.727 250 HG LEU 39 HG LEU 39 -1.820 5.501 9.333 251 HD11 LEU 39 1HD1 LEU 39 -1.914 3.312 11.023 252 HD12 LEU 39 2HD1 LEU 39 -2.068 5.006 11.486 253 HD13 LEU 39 3HD1 LEU 39 -0.496 4.212 11.563 254 HD21 LEU 39 1HD2 LEU 39 0.642 4.997 8.448 255 HD22 LEU 39 2HD2 LEU 39 0.912 4.715 10.169 256 HD23 LEU 39 3HD2 LEU 39 0.296 6.273 9.614 257 H ALA 40 H ALA 40 -2.699 1.769 6.409 258 HA ALA 40 HA ALA 40 -0.766 -0.035 5.835 259 HB1 ALA 40 1HB ALA 40 -3.090 0.311 3.966 260 HB2 ALA 40 2HB ALA 40 -2.298 -1.180 4.478 261 HB3 ALA 40 3HB ALA 40 -3.296 -0.275 5.617 262 H LEU 41 H LEU 41 -2.141 2.118 3.338 263 HA LEU 41 HA LEU 41 -0.261 1.508 1.358 264 HB2 LEU 41 1HB LEU 41 -2.214 3.688 1.829 265 HB3 LEU 41 2HB LEU 41 -0.955 3.975 0.629 266 HG LEU 41 HG LEU 41 -2.676 1.522 0.495 267 HD11 LEU 41 1HD1 LEU 41 -4.466 2.842 0.255 268 HD12 LEU 41 2HD1 LEU 41 -3.781 3.235 -1.321 269 HD13 LEU 41 3HD1 LEU 41 -3.488 4.296 0.057 270 HD21 LEU 41 1HD2 LEU 41 -2.165 2.306 -2.032 271 HD22 LEU 41 2HD2 LEU 41 -1.129 1.212 -1.116 272 HD23 LEU 41 3HD2 LEU 41 -0.732 2.928 -1.216 273 H CYS 42 H CYS 42 -0.218 3.889 3.940 274 HA CYS 42 HA CYS 42 1.947 5.436 3.082 275 HB2 CYS 42 1HB CYS 42 1.271 4.780 5.953 276 HB3 CYS 42 2HB CYS 42 2.123 6.201 5.360 277 HG CYS 42 HG CYS 42 -1.076 5.614 4.359 278 H ALA 43 H ALA 43 1.944 2.714 5.386 279 HA ALA 43 HA ALA 43 4.677 2.544 5.806 280 HB1 ALA 43 1HB ALA 43 3.479 1.220 7.245 281 HB2 ALA 43 2HB ALA 43 2.442 0.582 5.969 282 HB3 ALA 43 3HB ALA 43 4.102 0.007 6.126 283 H LEU 44 H LEU 44 2.755 0.650 3.470 284 HA LEU 44 HA LEU 44 4.772 -0.753 2.248 285 HB2 LEU 44 1HB LEU 44 2.565 -1.262 1.640 286 HB3 LEU 44 2HB LEU 44 2.223 0.402 1.169 287 HG LEU 44 HG LEU 44 3.875 0.037 -0.734 288 HD11 LEU 44 1HD1 LEU 44 4.581 -2.202 0.525 289 HD12 LEU 44 2HD1 LEU 44 4.703 -2.014 -1.224 290 HD13 LEU 44 3HD1 LEU 44 3.326 -2.862 -0.523 291 HD21 LEU 44 1HD2 LEU 44 1.470 0.143 -1.073 292 HD22 LEU 44 2HD2 LEU 44 1.321 -1.566 -0.665 293 HD23 LEU 44 3HD2 LEU 44 2.190 -1.079 -2.120 294 H VAL 45 H VAL 45 3.707 2.551 1.548 295 HA VAL 45 HA VAL 45 5.449 2.968 -0.649 296 HB VAL 45 HB VAL 45 4.204 5.010 1.199 297 HG11 VAL 45 1HG1 VAL 45 4.776 5.761 -1.569 298 HG12 VAL 45 2HG1 VAL 45 5.055 6.649 -0.069 299 HG13 VAL 45 3HG1 VAL 45 6.214 5.432 -0.603 300 HG21 VAL 45 1HG2 VAL 45 2.306 4.948 -0.041 301 HG22 VAL 45 2HG2 VAL 45 3.156 4.513 -1.525 302 HG23 VAL 45 3HG2 VAL 45 2.825 3.284 -0.305 303 H TYR 46 H TYR 46 5.626 4.254 2.678 304 HA TYR 46 HA TYR 46 8.081 5.451 2.584 305 HB2 TYR 46 1HB TYR 46 6.710 3.966 4.815 306 HB3 TYR 46 2HB TYR 46 8.262 4.760 5.057 307 HD1 TYR 46 1HD TYR 46 8.251 7.284 4.024 308 HD2 TYR 46 2HD TYR 46 4.869 5.162 5.496 309 HE1 TYR 46 1HE TYR 46 7.100 9.418 4.439 310 HE2 TYR 46 2HE TYR 46 3.708 7.290 5.912 311 HH TYR 46 HH TYR 46 4.006 9.544 6.098 312 H ARG 47 H ARG 47 7.479 2.058 3.501 313 HA ARG 47 HA ARG 47 10.118 1.276 3.859 314 HB2 ARG 47 1HB ARG 47 7.579 -0.126 3.209 315 HB3 ARG 47 2HB ARG 47 9.073 -1.014 2.945 316 HG2 ARG 47 1HG ARG 47 8.581 -1.619 5.094 317 HG3 ARG 47 2HG ARG 47 9.624 -0.222 5.375 318 HD2 ARG 47 1HD ARG 47 7.308 1.059 5.260 319 HD3 ARG 47 2HD ARG 47 6.690 -0.519 5.746 320 HE ARG 47 HE ARG 47 7.670 -0.244 7.814 321 HH11 ARG 47 2HH1 ARG 47 8.745 2.254 5.641 322 HH12 ARG 47 1HH1 ARG 47 9.485 3.202 6.889 323 HH21 ARG 47 2HH2 ARG 47 8.640 0.995 9.466 324 HH22 ARG 47 1HH2 ARG 47 9.424 2.485 9.063 325 H LEU 48 H LEU 48 8.144 0.731 0.933 326 HA LEU 48 HA LEU 48 9.896 -0.346 -0.783 327 HB2 LEU 48 1HB LEU 48 7.813 1.748 -1.163 328 HB3 LEU 48 2HB LEU 48 8.861 1.345 -2.521 329 HG LEU 48 HG LEU 48 7.228 -0.711 -1.050 330 HD11 LEU 48 1HD1 LEU 48 5.533 -0.516 -2.699 331 HD12 LEU 48 2HD1 LEU 48 6.482 0.641 -3.631 332 HD13 LEU 48 3HD1 LEU 48 5.822 1.104 -2.064 333 HD21 LEU 48 1HD2 LEU 48 7.551 -1.941 -3.200 334 HD22 LEU 48 2HD2 LEU 48 9.033 -1.671 -2.281 335 HD23 LEU 48 3HD2 LEU 48 8.675 -0.672 -3.691 336 H GLN 49 H GLN 49 9.893 3.034 0.224 337 HA GLN 49 HA GLN 49 12.583 3.298 -0.929 338 HB2 GLN 49 1HB GLN 49 10.201 5.022 -1.363 339 HB3 GLN 49 2HB GLN 49 11.753 5.828 -1.176 340 HG2 GLN 49 1HG GLN 49 12.666 4.621 -3.038 341 HG3 GLN 49 2HG GLN 49 11.203 3.646 -3.172 342 HE21 GLN 49 1HE2 GLN 49 11.964 7.107 -2.913 343 HE22 GLN 49 2HE2 GLN 49 10.977 7.597 -4.243 344 HA PRO 50 HA PRO 50 12.965 4.346 3.471 345 HB2 PRO 50 1HB PRO 50 15.624 3.807 3.579 346 HB3 PRO 50 2HB PRO 50 14.384 2.552 3.696 347 HG2 PRO 50 1HG PRO 50 16.020 3.383 1.332 348 HG3 PRO 50 2HG PRO 50 15.601 1.752 1.885 349 HD2 PRO 50 1HD PRO 50 14.305 2.977 -0.152 350 HD3 PRO 50 2HD PRO 50 13.499 1.837 0.944 351 H GLY 51 H GLY 51 14.058 5.769 0.634 352 HA2 GLY 51 1HA GLY 51 15.793 7.735 1.869 353 HA3 GLY 51 2HA GLY 51 15.321 7.672 0.178 354 H LEU 52 H LEU 52 12.495 7.594 0.630 355 HA LEU 52 HA LEU 52 11.932 10.339 0.701 356 HB2 LEU 52 1HB LEU 52 10.299 7.850 0.777 357 HB3 LEU 52 2HB LEU 52 9.516 9.386 1.143 358 HG LEU 52 HG LEU 52 11.103 9.189 -1.365 359 HD11 LEU 52 1HD1 LEU 52 9.981 7.302 -1.907 360 HD12 LEU 52 2HD1 LEU 52 8.710 8.456 -2.303 361 HD13 LEU 52 3HD1 LEU 52 8.680 7.610 -0.757 362 HD21 LEU 52 1HD2 LEU 52 8.791 10.726 -0.292 363 HD22 LEU 52 2HD2 LEU 52 8.916 10.493 -2.036 364 HD23 LEU 52 3HD2 LEU 52 10.221 11.290 -1.156 365 H LEU 53 H LEU 53 10.643 11.538 2.226 366 HA LEU 53 HA LEU 53 11.590 11.587 4.796 367 HB2 LEU 53 1HB LEU 53 9.813 13.055 5.341 368 HB3 LEU 53 2HB LEU 53 10.234 13.347 3.655 369 HG LEU 53 HG LEU 53 7.936 13.419 3.589 370 HD11 LEU 53 1HD1 LEU 53 8.532 10.495 3.168 371 HD12 LEU 53 2HD1 LEU 53 8.776 11.774 1.980 372 HD13 LEU 53 3HD1 LEU 53 7.147 11.381 2.530 373 HD21 LEU 53 1HD2 LEU 53 7.729 11.037 5.419 374 HD22 LEU 53 2HD2 LEU 53 6.437 12.123 4.906 375 HD23 LEU 53 3HD2 LEU 53 7.705 12.708 5.985 376 H GLU 54 H GLU 54 9.994 11.401 6.787 377 HA GLU 54 HA GLU 54 8.936 8.654 6.735 378 HB2 GLU 54 1HB GLU 54 10.386 10.225 8.825 379 HB3 GLU 54 2HB GLU 54 9.259 8.974 9.329 380 HG2 GLU 54 1HG GLU 54 11.602 8.555 7.487 381 HG3 GLU 54 2HG GLU 54 11.577 8.178 9.209 382 HA PRO 55 HA PRO 55 4.912 10.021 7.814 383 HB2 PRO 55 1HB PRO 55 4.100 8.107 9.558 384 HB3 PRO 55 2HB PRO 55 4.272 7.815 7.824 385 HG2 PRO 55 1HG PRO 55 6.153 7.143 10.053 386 HG3 PRO 55 2HG PRO 55 5.680 6.161 8.655 387 HD2 PRO 55 1HD PRO 55 8.020 7.521 8.755 388 HD3 PRO 55 2HD PRO 55 7.137 7.249 7.239 389 H SER 56 H SER 56 7.413 10.388 9.858 390 HA SER 56 HA SER 56 6.800 10.618 12.415 391 HB2 SER 56 1HB SER 56 7.882 12.949 10.811 392 HB3 SER 56 2HB SER 56 8.053 12.730 12.553 393 HG SER 56 HG SER 56 8.982 10.549 11.697 394 H GLU 57 H GLU 57 5.393 12.675 9.917 395 HA GLU 57 HA GLU 57 3.822 14.166 11.834 396 HB2 GLU 57 1HB GLU 57 3.569 14.184 8.825 397 HB3 GLU 57 2HB GLU 57 2.998 15.407 9.952 398 HG2 GLU 57 1HG GLU 57 5.888 14.717 9.471 399 HG3 GLU 57 2HG GLU 57 5.033 16.079 8.749 400 H LEU 58 H LEU 58 3.222 11.776 9.280 401 HA LEU 58 HA LEU 58 0.479 11.625 9.361 402 HB2 LEU 58 1HB LEU 58 2.641 9.679 8.769 403 HB3 LEU 58 2HB LEU 58 1.007 9.052 8.973 404 HG LEU 58 HG LEU 58 0.257 10.597 7.169 405 HD11 LEU 58 1HD1 LEU 58 1.669 12.323 6.850 406 HD12 LEU 58 2HD1 LEU 58 2.433 11.212 5.714 407 HD13 LEU 58 3HD1 LEU 58 3.088 11.398 7.341 408 HD21 LEU 58 1HD2 LEU 58 1.914 9.300 5.438 409 HD22 LEU 58 2HD2 LEU 58 0.459 8.607 6.157 410 HD23 LEU 58 3HD2 LEU 58 2.037 8.290 6.878 411 H GLN 59 H GLN 59 2.763 10.567 11.737 412 HA GLN 59 HA GLN 59 1.179 8.705 13.125 413 HB2 GLN 59 1HB GLN 59 3.422 10.503 14.040 414 HB3 GLN 59 2HB GLN 59 2.674 9.299 15.082 415 HG2 GLN 59 1HG GLN 59 3.759 8.480 12.429 416 HG3 GLN 59 2HG GLN 59 4.857 8.745 13.781 417 HE21 GLN 59 1HE2 GLN 59 5.232 6.407 13.277 418 HE22 GLN 59 2HE2 GLN 59 4.250 5.254 14.109 419 H GLY 60 H GLY 60 -0.926 9.724 13.059 420 HA2 GLY 60 1HA GLY 60 -2.218 10.474 15.131 421 HA3 GLY 60 2HA GLY 60 -1.239 11.927 14.994 422 H LEU 61 H LEU 61 -1.358 11.797 12.025 423 HA LEU 61 HA LEU 61 -3.399 13.578 11.543 424 HB2 LEU 61 1HB LEU 61 -1.801 11.745 9.841 425 HB3 LEU 61 2HB LEU 61 -3.224 12.495 9.122 426 HG LEU 61 HG LEU 61 -0.852 13.937 10.305 427 HD11 LEU 61 1HD1 LEU 61 -1.630 14.270 7.482 428 HD12 LEU 61 2HD1 LEU 61 -0.935 12.708 7.915 429 HD13 LEU 61 3HD1 LEU 61 -0.031 14.191 8.222 430 HD21 LEU 61 1HD2 LEU 61 -3.556 14.797 9.760 431 HD22 LEU 61 2HD2 LEU 61 -2.386 15.696 8.794 432 HD23 LEU 61 3HD2 LEU 61 -2.237 15.660 10.551 433 H GLY 62 H GLY 62 -5.257 13.168 9.936 434 HA2 GLY 62 1HA GLY 62 -7.066 11.340 11.184 435 HA3 GLY 62 2HA GLY 62 -7.402 12.339 9.779 436 H ALA 63 H ALA 63 -8.003 9.482 10.392 437 HA ALA 63 HA ALA 63 -6.537 7.594 9.133 438 HB1 ALA 63 1HB ALA 63 -8.387 6.308 9.175 439 HB2 ALA 63 2HB ALA 63 -9.050 7.657 10.099 440 HB3 ALA 63 3HB ALA 63 -9.382 7.524 8.372 441 H LEU 64 H LEU 64 -8.348 10.166 7.595 442 HA LEU 64 HA LEU 64 -7.949 9.102 4.936 443 HB2 LEU 64 1HB LEU 64 -9.876 10.630 5.920 444 HB3 LEU 64 2HB LEU 64 -8.787 11.916 5.401 445 HG LEU 64 HG LEU 64 -8.903 11.133 3.111 446 HD11 LEU 64 1HD1 LEU 64 -11.034 9.287 3.187 447 HD12 LEU 64 2HD1 LEU 64 -9.821 8.727 4.337 448 HD13 LEU 64 3HD1 LEU 64 -9.374 9.018 2.655 449 HD21 LEU 64 1HD2 LEU 64 -10.778 12.543 4.315 450 HD22 LEU 64 2HD2 LEU 64 -11.762 11.129 3.939 451 HD23 LEU 64 3HD2 LEU 64 -10.959 12.016 2.642 452 H GLU 65 H GLU 65 -6.906 12.044 6.664 453 HA GLU 65 HA GLU 65 -5.273 13.230 4.881 454 HB2 GLU 65 1HB GLU 65 -4.705 12.760 7.810 455 HB3 GLU 65 2HB GLU 65 -3.800 13.882 6.805 456 HG2 GLU 65 1HG GLU 65 -6.772 14.059 7.208 457 HG3 GLU 65 2HG GLU 65 -5.599 14.898 8.223 458 H ALA 66 H ALA 66 -4.622 10.233 6.573 459 HA ALA 66 HA ALA 66 -1.884 10.004 5.931 460 HB1 ALA 66 1HB ALA 66 -3.390 8.655 7.598 461 HB2 ALA 66 2HB ALA 66 -3.596 7.581 6.214 462 HB3 ALA 66 3HB ALA 66 -1.982 7.903 6.848 463 H THR 67 H THR 67 -4.560 8.093 4.549 464 HA THR 67 HA THR 67 -3.318 6.939 2.441 465 HB THR 67 HB THR 67 -6.071 8.176 2.259 466 HG1 THR 67 1HG THR 67 -6.005 6.841 4.057 467 HG21 THR 67 1HG2 THR 67 -4.778 7.142 0.202 468 HG22 THR 67 2HG2 THR 67 -6.492 6.813 0.459 469 HG23 THR 67 3HG2 THR 67 -5.284 5.622 0.940 470 H ALA 68 H ALA 68 -4.394 10.284 2.633 471 HA ALA 68 HA ALA 68 -4.170 11.082 0.001 472 HB1 ALA 68 1HB ALA 68 -5.016 12.514 1.801 473 HB2 ALA 68 2HB ALA 68 -3.377 12.680 2.433 474 HB3 ALA 68 3HB ALA 68 -3.779 13.328 0.843 475 H TRP 69 H TRP 69 -1.600 11.170 2.474 476 HA TRP 69 HA TRP 69 0.450 12.062 0.800 477 HB2 TRP 69 1HB TRP 69 0.719 12.093 3.201 478 HB3 TRP 69 2HB TRP 69 0.570 10.341 3.283 479 HD1 TRP 69 HD TRP 69 3.057 13.099 2.409 480 HE1 TRP 69 1HE TRP 69 5.407 12.068 2.223 481 HE3 TRP 69 3HE TRP 69 1.800 8.153 2.714 482 HZ2 TRP 69 2HZ TRP 69 6.574 9.498 2.207 483 HZ3 TRP 69 3HZ TRP 69 3.592 6.472 2.605 484 HH2 TRP 69 HH TRP 69 5.930 7.133 2.356 485 H ALA 70 H ALA 70 -0.110 8.717 1.918 486 HA ALA 70 HA ALA 70 1.739 7.342 0.518 487 HB1 ALA 70 1HB ALA 70 0.409 5.432 0.702 488 HB2 ALA 70 2HB ALA 70 -0.138 6.463 2.025 489 HB3 ALA 70 3HB ALA 70 -1.090 6.349 0.545 490 H LEU 71 H LEU 71 -1.460 8.216 -0.793 491 HA LEU 71 HA LEU 71 -1.026 7.214 -3.376 492 HB2 LEU 71 1HB LEU 71 -2.857 9.312 -2.262 493 HB3 LEU 71 2HB LEU 71 -2.819 8.959 -3.989 494 HG LEU 71 HG LEU 71 -3.256 6.712 -2.078 495 HD11 LEU 71 1HD1 LEU 71 -4.750 8.748 -1.516 496 HD12 LEU 71 2HD1 LEU 71 -5.498 7.164 -1.722 497 HD13 LEU 71 3HD1 LEU 71 -5.572 8.350 -3.025 498 HD21 LEU 71 1HD2 LEU 71 -3.008 6.666 -4.682 499 HD22 LEU 71 2HD2 LEU 71 -4.694 7.181 -4.650 500 HD23 LEU 71 3HD2 LEU 71 -4.219 5.665 -3.883 501 H LYS 72 H LYS 72 -0.072 10.197 -1.860 502 HA LYS 72 HA LYS 72 0.569 11.568 -4.296 503 HB2 LYS 72 1HB LYS 72 0.040 12.547 -1.939 504 HB3 LYS 72 2HB LYS 72 1.748 12.264 -1.626 505 HG2 LYS 72 1HG LYS 72 2.321 13.673 -3.553 506 HG3 LYS 72 2HG LYS 72 0.603 13.984 -3.818 507 HD2 LYS 72 1HD LYS 72 1.916 14.572 -1.182 508 HD3 LYS 72 2HD LYS 72 1.963 15.730 -2.512 509 HE2 LYS 72 1HE LYS 72 -0.657 14.550 -1.728 510 HE3 LYS 72 2HE LYS 72 0.048 15.798 -0.702 511 HZ1 LYS 72 1HZ LYS 72 -0.271 16.165 -3.621 512 HZ2 LYS 72 2HZ LYS 72 -0.006 17.345 -2.438 513 HZ3 LYS 72 3HZ LYS 72 -1.503 16.560 -2.529 514 H VAL 73 H VAL 73 2.739 10.643 -1.624 515 HA VAL 73 HA VAL 73 5.126 10.829 -2.963 516 HB VAL 73 HB VAL 73 4.314 8.929 -0.768 517 HG11 VAL 73 1HG1 VAL 73 7.010 9.051 -0.569 518 HG12 VAL 73 2HG1 VAL 73 6.132 7.742 -1.362 519 HG13 VAL 73 3HG1 VAL 73 6.807 9.061 -2.320 520 HG21 VAL 73 1HG2 VAL 73 5.975 10.552 0.436 521 HG22 VAL 73 2HG2 VAL 73 5.588 11.624 -0.909 522 HG23 VAL 73 3HG2 VAL 73 4.304 11.041 0.150 523 H ALA 74 H ALA 74 2.741 8.292 -3.151 524 HA ALA 74 HA ALA 74 4.460 6.428 -4.511 525 HB1 ALA 74 1HB ALA 74 1.484 6.471 -4.049 526 HB2 ALA 74 2HB ALA 74 2.332 5.167 -4.881 527 HB3 ALA 74 3HB ALA 74 2.695 5.517 -3.191 528 H GLU 75 H GLU 75 2.163 8.909 -5.414 529 HA GLU 75 HA GLU 75 2.164 8.125 -8.203 530 HB2 GLU 75 1HB GLU 75 0.130 9.051 -7.145 531 HB3 GLU 75 2HB GLU 75 0.977 10.567 -6.875 532 HG2 GLU 75 1HG GLU 75 0.705 9.433 -9.629 533 HG3 GLU 75 2HG GLU 75 -0.601 10.361 -8.894 534 H ASN 76 H ASN 76 4.127 9.957 -6.171 535 HA ASN 76 HA ASN 76 5.117 11.627 -8.372 536 HB2 ASN 76 1HB ASN 76 5.305 11.822 -5.383 537 HB3 ASN 76 2HB ASN 76 6.476 12.661 -6.398 538 HD21 ASN 76 1HD2 ASN 76 3.692 13.041 -4.768 539 HD22 ASN 76 2HD2 ASN 76 2.987 14.338 -5.665 540 H GLU 77 H GLU 77 6.475 9.761 -5.648 541 HA GLU 77 HA GLU 77 9.017 9.499 -6.956 542 HB2 GLU 77 1HB GLU 77 7.841 8.649 -4.362 543 HB3 GLU 77 2HB GLU 77 9.222 7.738 -4.955 544 HG2 GLU 77 1HG GLU 77 9.113 10.696 -4.418 545 HG3 GLU 77 2HG GLU 77 9.968 9.477 -3.473 546 H LEU 78 H LEU 78 6.812 6.981 -5.725 547 HA LEU 78 HA LEU 78 7.908 4.901 -7.240 548 HB2 LEU 78 1HB LEU 78 5.043 5.045 -6.341 549 HB3 LEU 78 2HB LEU 78 6.026 3.605 -6.594 550 HG LEU 78 HG LEU 78 6.403 5.629 -4.387 551 HD11 LEU 78 1HD1 LEU 78 5.467 2.781 -4.155 552 HD12 LEU 78 2HD1 LEU 78 4.361 4.150 -4.268 553 HD13 LEU 78 3HD1 LEU 78 5.482 4.032 -2.911 554 HD21 LEU 78 1HD2 LEU 78 8.209 4.425 -3.647 555 HD22 LEU 78 2HD2 LEU 78 8.403 4.262 -5.392 556 HD23 LEU 78 3HD2 LEU 78 7.696 2.945 -4.456 557 H GLY 79 H GLY 79 5.316 7.175 -7.955 558 HA2 GLY 79 1HA GLY 79 4.567 7.839 -10.054 559 HA3 GLY 79 2HA GLY 79 5.576 6.594 -10.778 560 H ILE 80 H ILE 80 3.600 5.482 -8.241 561 HA ILE 80 HA ILE 80 2.046 3.895 -10.082 562 HB ILE 80 HB ILE 80 1.881 4.053 -7.069 563 HG12 ILE 80 1HG1 ILE 80 4.091 3.307 -8.012 564 HG13 ILE 80 2HG1 ILE 80 3.280 2.104 -7.014 565 HG21 ILE 80 1HG2 ILE 80 -0.044 2.959 -7.432 566 HG22 ILE 80 2HG2 ILE 80 0.379 2.563 -9.098 567 HG23 ILE 80 3HG2 ILE 80 1.001 1.579 -7.772 568 HD11 ILE 80 1HD1 ILE 80 2.420 1.083 -9.140 569 HD12 ILE 80 2HD1 ILE 80 3.511 2.165 -10.005 570 HD13 ILE 80 3HD1 ILE 80 4.162 0.970 -8.884 571 H THR 81 H THR 81 0.861 5.574 -11.142 572 HA THR 81 HA THR 81 -0.667 7.570 -10.209 573 HB THR 81 HB THR 81 -1.755 5.570 -12.196 574 HG1 THR 81 1HG THR 81 -0.320 7.854 -12.975 575 HG21 THR 81 1HG2 THR 81 -2.896 7.512 -13.145 576 HG22 THR 81 2HG2 THR 81 -2.196 8.544 -11.897 577 HG23 THR 81 3HG2 THR 81 -3.349 7.285 -11.456 578 HA PRO 82 HA PRO 82 -3.470 5.847 -7.252 579 HB2 PRO 82 1HB PRO 82 -5.113 7.996 -7.032 580 HB3 PRO 82 2HB PRO 82 -3.502 7.941 -6.306 581 HG2 PRO 82 1HG PRO 82 -4.385 9.225 -8.863 582 HG3 PRO 82 2HG PRO 82 -3.291 9.851 -7.615 583 HD2 PRO 82 1HD PRO 82 -2.394 8.762 -9.925 584 HD3 PRO 82 2HD PRO 82 -1.498 8.635 -8.398 585 H VAL 83 H VAL 83 -4.495 4.216 -8.424 586 HA VAL 83 HA VAL 83 -6.418 4.715 -10.458 587 HB VAL 83 HB VAL 83 -5.084 2.548 -9.997 588 HG11 VAL 83 1HG1 VAL 83 -6.265 2.549 -7.616 589 HG12 VAL 83 2HG1 VAL 83 -7.470 1.614 -8.504 590 HG13 VAL 83 3HG1 VAL 83 -5.797 1.058 -8.433 591 HG21 VAL 83 1HG2 VAL 83 -7.400 3.107 -11.411 592 HG22 VAL 83 2HG2 VAL 83 -6.373 1.686 -11.600 593 HG23 VAL 83 3HG2 VAL 83 -7.778 1.623 -10.536 594 H VAL 84 H VAL 84 -6.579 4.339 -6.983 595 HA VAL 84 HA VAL 84 -9.507 4.664 -7.111 596 HB VAL 84 HB VAL 84 -7.794 3.390 -4.977 597 HG11 VAL 84 1HG1 VAL 84 -10.774 3.841 -4.896 598 HG12 VAL 84 2HG1 VAL 84 -9.773 3.093 -3.650 599 HG13 VAL 84 3HG1 VAL 84 -9.595 4.811 -4.014 600 HG21 VAL 84 1HG2 VAL 84 -9.785 2.388 -6.975 601 HG22 VAL 84 2HG2 VAL 84 -8.171 1.781 -6.608 602 HG23 VAL 84 3HG2 VAL 84 -9.495 1.503 -5.478 603 H SER 85 H SER 85 -10.507 6.129 -5.692 604 HA SER 85 HA SER 85 -8.936 8.467 -5.129 605 HB2 SER 85 1HB SER 85 -11.843 7.871 -4.527 606 HB3 SER 85 2HB SER 85 -11.074 9.453 -4.393 607 HG SER 85 HG SER 85 -11.406 7.911 -6.753 608 H ALA 86 H ALA 86 -8.068 9.080 -3.250 609 HA ALA 86 HA ALA 86 -7.471 7.516 -1.157 610 HB1 ALA 86 1HB ALA 86 -7.575 10.356 -1.591 611 HB2 ALA 86 2HB ALA 86 -7.982 9.969 0.081 612 HB3 ALA 86 3HB ALA 86 -6.456 9.413 -0.607 613 H GLN 87 H GLN 87 -10.445 9.445 -1.400 614 HA GLN 87 HA GLN 87 -11.514 8.767 1.099 615 HB2 GLN 87 1HB GLN 87 -12.379 10.605 -0.275 616 HB3 GLN 87 2HB GLN 87 -12.968 9.449 -1.462 617 HG2 GLN 87 1HG GLN 87 -14.887 9.847 -0.314 618 HG3 GLN 87 2HG GLN 87 -14.262 8.479 0.607 619 HE21 GLN 87 1HE2 GLN 87 -15.388 11.625 0.758 620 HE22 GLN 87 2HE2 GLN 87 -14.913 11.995 2.377 621 H ALA 88 H ALA 88 -12.213 7.358 -2.100 622 HA ALA 88 HA ALA 88 -13.985 5.394 -1.380 623 HB1 ALA 88 1HB ALA 88 -11.795 5.158 -3.440 624 HB2 ALA 88 2HB ALA 88 -13.245 4.157 -3.350 625 HB3 ALA 88 3HB ALA 88 -13.383 5.882 -3.695 626 H VAL 89 H VAL 89 -10.447 5.262 -1.235 627 HA VAL 89 HA VAL 89 -10.166 2.584 -0.493 628 HB VAL 89 HB VAL 89 -8.427 4.928 0.285 629 HG11 VAL 89 1HG1 VAL 89 -7.865 1.965 0.330 630 HG12 VAL 89 2HG1 VAL 89 -6.661 3.230 0.581 631 HG13 VAL 89 3HG1 VAL 89 -7.989 3.037 1.726 632 HG21 VAL 89 1HG2 VAL 89 -7.217 4.601 -1.667 633 HG22 VAL 89 2HG2 VAL 89 -7.841 2.968 -1.900 634 HG23 VAL 89 3HG2 VAL 89 -8.881 4.361 -2.201 635 H VAL 90 H VAL 90 -10.007 5.422 1.669 636 HA VAL 90 HA VAL 90 -10.138 3.929 4.053 637 HB VAL 90 HB VAL 90 -10.940 6.810 3.618 638 HG11 VAL 90 1HG1 VAL 90 -10.875 5.092 5.967 639 HG12 VAL 90 2HG1 VAL 90 -9.919 6.563 6.162 640 HG13 VAL 90 3HG1 VAL 90 -11.629 6.670 5.738 641 HG21 VAL 90 1HG2 VAL 90 -8.768 6.993 3.050 642 HG22 VAL 90 2HG2 VAL 90 -8.504 6.896 4.790 643 HG23 VAL 90 3HG2 VAL 90 -8.334 5.453 3.792 644 H ALA 91 H ALA 91 -12.659 6.001 2.602 645 HA ALA 91 HA ALA 91 -14.782 5.548 4.176 646 HB1 ALA 91 1HB ALA 91 -15.243 6.913 2.378 647 HB2 ALA 91 2HB ALA 91 -14.591 5.768 1.204 648 HB3 ALA 91 3HB ALA 91 -16.153 5.460 1.962 649 H GLY 92 H GLY 92 -13.619 3.283 1.700 650 HA2 GLY 92 1HA GLY 92 -13.721 0.945 1.826 651 HA3 GLY 92 2HA GLY 92 -14.830 1.089 3.181 652 H SER 93 H SER 93 -15.138 2.628 0.017 653 HA SER 93 HA SER 93 -17.717 1.271 -0.301 654 HB2 SER 93 1HB SER 93 -17.910 3.657 -0.434 655 HB3 SER 93 2HB SER 93 -16.569 3.762 -1.574 656 HG SER 93 HG SER 93 -18.717 2.163 -2.314 657 H ASP 94 H ASP 94 -14.704 1.954 -2.023 658 HA ASP 94 HA ASP 94 -15.461 -0.045 -4.045 659 HB2 ASP 94 1HB ASP 94 -13.266 2.020 -4.256 660 HB3 ASP 94 2HB ASP 94 -13.902 1.005 -5.546 661 HA PRO 95 HA PRO 95 -12.328 -2.255 -1.535 662 HB2 PRO 95 1HB PRO 95 -13.390 -4.710 -1.998 663 HB3 PRO 95 2HB PRO 95 -13.977 -3.635 -0.724 664 HG2 PRO 95 1HG PRO 95 -15.096 -4.120 -3.458 665 HG3 PRO 95 2HG PRO 95 -15.949 -3.972 -1.911 666 HD2 PRO 95 1HD PRO 95 -15.799 -1.939 -3.692 667 HD3 PRO 95 2HD PRO 95 -15.858 -1.670 -1.938 668 H LEU 96 H LEU 96 -13.677 -3.303 -4.663 669 HA LEU 96 HA LEU 96 -11.504 -4.854 -5.490 670 HB2 LEU 96 1HB LEU 96 -13.509 -3.293 -7.109 671 HB3 LEU 96 2HB LEU 96 -12.376 -4.457 -7.792 672 HG LEU 96 HG LEU 96 -13.550 -6.049 -6.007 673 HD11 LEU 96 1HD1 LEU 96 -15.445 -5.303 -5.136 674 HD12 LEU 96 2HD1 LEU 96 -16.069 -4.903 -6.735 675 HD13 LEU 96 3HD1 LEU 96 -15.112 -3.722 -5.843 676 HD21 LEU 96 1HD2 LEU 96 -14.019 -5.397 -8.825 677 HD22 LEU 96 2HD2 LEU 96 -15.350 -6.247 -8.040 678 HD23 LEU 96 3HD2 LEU 96 -13.734 -6.955 -8.050 679 H GLY 97 H GLY 97 -12.213 -1.417 -6.035 680 HA2 GLY 97 1HA GLY 97 -10.195 -0.711 -7.750 681 HA3 GLY 97 2HA GLY 97 -10.786 0.338 -6.468 682 H LEU 98 H LEU 98 -9.928 -0.742 -4.194 683 HA LEU 98 HA LEU 98 -7.285 0.023 -3.979 684 HB2 LEU 98 1HB LEU 98 -8.663 -0.141 -2.037 685 HB3 LEU 98 2HB LEU 98 -8.904 -1.868 -2.288 686 HG LEU 98 HG LEU 98 -6.458 -2.183 -1.827 687 HD11 LEU 98 1HD1 LEU 98 -6.585 0.638 -0.785 688 HD12 LEU 98 2HD1 LEU 98 -5.862 0.198 -2.332 689 HD13 LEU 98 3HD1 LEU 98 -5.189 -0.439 -0.832 690 HD21 LEU 98 1HD2 LEU 98 -7.977 -0.882 0.426 691 HD22 LEU 98 2HD2 LEU 98 -6.711 -2.106 0.546 692 HD23 LEU 98 3HD2 LEU 98 -8.278 -2.522 -0.149 693 H ILE 99 H ILE 99 -8.515 -3.326 -4.037 694 HA ILE 99 HA ILE 99 -6.176 -4.724 -3.969 695 HB ILE 99 HB ILE 99 -8.550 -5.354 -5.727 696 HG12 ILE 99 1HG1 ILE 99 -7.935 -6.446 -2.984 697 HG13 ILE 99 2HG1 ILE 99 -8.929 -5.013 -3.224 698 HG21 ILE 99 1HG2 ILE 99 -7.207 -7.663 -4.733 699 HG22 ILE 99 2HG2 ILE 99 -7.472 -7.170 -6.403 700 HG23 ILE 99 3HG2 ILE 99 -6.035 -6.623 -5.541 701 HD11 ILE 99 1HD1 ILE 99 -9.596 -7.819 -3.526 702 HD12 ILE 99 2HD1 ILE 99 -10.646 -6.416 -3.317 703 HD13 ILE 99 3HD1 ILE 99 -10.062 -6.850 -4.924 704 H ALA 100 H ALA 100 -7.707 -3.369 -6.879 705 HA ALA 100 HA ALA 100 -5.716 -4.233 -8.686 706 HB1 ALA 100 1HB ALA 100 -6.696 -2.287 -10.095 707 HB2 ALA 100 2HB ALA 100 -7.712 -3.678 -9.714 708 HB3 ALA 100 3HB ALA 100 -7.888 -2.181 -8.798 709 H TYR 101 H TYR 101 -6.050 -1.370 -6.687 710 HA TYR 101 HA TYR 101 -4.049 0.196 -7.910 711 HB2 TYR 101 1HB TYR 101 -5.733 1.098 -6.339 712 HB3 TYR 101 2HB TYR 101 -4.956 0.225 -5.022 713 HD1 TYR 101 1HD TYR 101 -3.325 2.094 -7.791 714 HD2 TYR 101 2HD TYR 101 -4.207 1.956 -3.631 715 HE1 TYR 101 1HE TYR 101 -1.825 4.008 -7.415 716 HE2 TYR 101 2HE TYR 101 -2.711 3.869 -3.245 717 HH TYR 101 HH TYR 101 -0.987 5.427 -5.933 718 H LEU 102 H LEU 102 -3.912 -1.801 -4.958 719 HA LEU 102 HA LEU 102 -1.195 -1.494 -4.440 720 HB2 LEU 102 1HB LEU 102 -3.011 -3.830 -3.874 721 HB3 LEU 102 2HB LEU 102 -1.393 -3.645 -3.202 722 HG LEU 102 HG LEU 102 -3.763 -1.852 -2.678 723 HD11 LEU 102 1HD1 LEU 102 -2.801 -4.269 -1.441 724 HD12 LEU 102 2HD1 LEU 102 -4.267 -3.346 -1.117 725 HD13 LEU 102 3HD1 LEU 102 -2.760 -2.919 -0.309 726 HD21 LEU 102 1HD2 LEU 102 -1.978 -0.396 -2.522 727 HD22 LEU 102 2HD2 LEU 102 -0.866 -1.649 -1.969 728 HD23 LEU 102 3HD2 LEU 102 -2.092 -1.011 -0.873 729 H SER 103 H SER 103 -2.869 -3.887 -6.441 730 HA SER 103 HA SER 103 -0.927 -5.671 -7.052 731 HB2 SER 103 1HB SER 103 -2.931 -4.386 -8.913 732 HB3 SER 103 2HB SER 103 -1.932 -5.763 -9.377 733 HG SER 103 HG SER 103 -4.200 -5.735 -7.946 734 H HIS 104 H HIS 104 -1.210 -2.393 -8.329 735 HA HIS 104 HA HIS 104 0.825 -2.538 -10.253 736 HB2 HIS 104 1HB HIS 104 -0.104 -0.158 -8.634 737 HB3 HIS 104 2HB HIS 104 0.893 -0.070 -10.083 738 HD1 HIS 104 1HD HIS 104 -0.916 1.300 -11.324 739 HD2 HIS 104 2HD HIS 104 -2.174 -2.467 -10.107 740 HE1 HIS 104 1HE HIS 104 -3.078 0.889 -12.540 741 HE2 HIS 104 2HE HIS 104 -3.863 -1.360 -11.723 742 H PHE 105 H PHE 105 0.919 -1.789 -6.806 743 HA PHE 105 HA PHE 105 3.604 -0.968 -6.673 744 HB2 PHE 105 1HB PHE 105 1.703 -2.119 -4.643 745 HB3 PHE 105 2HB PHE 105 3.367 -1.733 -4.222 746 HD1 PHE 105 1HD PHE 105 0.370 -0.191 -5.807 747 HD2 PHE 105 2HD PHE 105 3.858 0.373 -3.435 748 HE1 PHE 105 1HE PHE 105 -0.278 2.150 -5.419 749 HE2 PHE 105 2HE PHE 105 3.216 2.715 -3.041 750 HZ PHE 105 HZ PHE 105 1.145 3.607 -4.033 751 H HIS 106 H HIS 106 2.132 -4.146 -6.032 752 HA HIS 106 HA HIS 106 4.591 -5.471 -5.558 753 HB2 HIS 106 1HB HIS 106 2.475 -6.373 -4.738 754 HB3 HIS 106 2HB HIS 106 1.904 -6.588 -6.390 755 HD1 HIS 106 1HD HIS 106 1.959 -8.978 -6.975 756 HD2 HIS 106 2HD HIS 106 5.185 -7.913 -4.584 757 HE1 HIS 106 1HE HIS 106 3.319 -11.076 -6.708 758 HE2 HIS 106 2HE HIS 106 5.219 -10.429 -5.187 759 H SER 107 H SER 107 2.393 -5.634 -8.367 760 HA SER 107 HA SER 107 3.795 -7.206 -10.065 761 HB2 SER 107 1HB SER 107 2.331 -4.646 -10.743 762 HB3 SER 107 2HB SER 107 2.859 -5.829 -11.940 763 HG SER 107 HG SER 107 0.747 -5.920 -10.176 764 H ALA 108 H ALA 108 4.693 -4.044 -8.987 765 HA ALA 108 HA ALA 108 6.856 -3.886 -10.959 766 HB1 ALA 108 1HB ALA 108 5.519 -1.883 -10.728 767 HB2 ALA 108 2HB ALA 108 5.844 -1.835 -8.994 768 HB3 ALA 108 3HB ALA 108 7.156 -1.581 -10.145 769 H PHE 109 H PHE 109 6.275 -3.975 -7.474 770 HA PHE 109 HA PHE 109 9.163 -4.252 -7.020 771 HB2 PHE 109 1HB PHE 109 6.883 -3.518 -5.185 772 HB3 PHE 109 2HB PHE 109 8.488 -3.917 -4.583 773 HD1 PHE 109 2HD PHE 109 10.444 -2.579 -5.779 774 HD2 PHE 109 1HD PHE 109 6.388 -1.311 -5.549 775 HE1 PHE 109 2HE PHE 109 11.156 -0.251 -6.132 776 HE2 PHE 109 1HE PHE 109 7.093 1.020 -5.902 777 HZ PHE 109 HZ PHE 109 9.479 1.552 -6.193 778 H LYS 110 H LYS 110 7.878 -6.437 -8.148 779 HA LYS 110 HA LYS 110 7.701 -8.337 -5.904 780 HB2 LYS 110 1HB LYS 110 6.390 -9.777 -7.368 781 HB3 LYS 110 2HB LYS 110 5.651 -8.185 -7.255 782 HG2 LYS 110 1HG LYS 110 6.612 -7.587 -9.422 783 HG3 LYS 110 2HG LYS 110 7.346 -9.188 -9.534 784 HD2 LYS 110 1HD LYS 110 4.410 -8.993 -9.065 785 HD3 LYS 110 2HD LYS 110 5.030 -8.656 -10.682 786 HE2 LYS 110 1HE LYS 110 6.015 -10.823 -10.835 787 HE3 LYS 110 2HE LYS 110 5.697 -11.152 -9.133 788 HZ1 LYS 110 1HZ LYS 110 3.527 -10.652 -11.085 789 HZ2 LYS 110 2HZ LYS 110 3.403 -11.322 -9.537 790 HZ3 LYS 110 3HZ LYS 110 4.135 -12.202 -10.783 791 H SER 111 H SER 111 8.994 -7.853 -9.163 792 HA SER 111 HA SER 111 10.542 -9.074 -10.359 793 HB2 SER 111 1HB SER 111 12.738 -9.005 -9.309 794 HB3 SER 111 2HB SER 111 11.863 -7.519 -8.943 795 HG SER 111 HG SER 111 12.776 -9.463 -7.261 796 H GLY 112 H GLY 112 8.637 -10.820 -9.330 797 HA2 GLY 112 1HA GLY 112 9.817 -12.985 -7.897 798 HA3 GLY 112 2HA GLY 112 8.279 -13.018 -8.746 799 HA PRO 113 HA PRO 113 11.105 -15.858 -11.015 800 HB2 PRO 113 1HB PRO 113 9.192 -17.725 -11.495 801 HB3 PRO 113 2HB PRO 113 10.131 -17.675 -9.999 802 HG2 PRO 113 1HG PRO 113 7.366 -16.659 -10.535 803 HG3 PRO 113 2HG PRO 113 7.978 -17.553 -9.131 804 HD2 PRO 113 1HD PRO 113 7.615 -14.870 -9.105 805 HD3 PRO 113 2HD PRO 113 8.898 -15.669 -8.175 806 H SER 114 H SER 114 8.165 -14.214 -11.709 807 HA SER 114 HA SER 114 7.340 -14.892 -14.164 808 HB2 SER 114 1HB SER 114 6.587 -12.883 -12.855 809 HB3 SER 114 2HB SER 114 7.998 -12.022 -13.467 810 HG SER 114 HG SER 114 7.084 -12.771 -15.620 811 H SER 115 H SER 115 10.095 -12.675 -13.677 812 HA SER 115 HA SER 115 10.891 -12.387 -16.293 813 HB2 SER 115 1HB SER 115 12.581 -12.523 -13.788 814 HB3 SER 115 2HB SER 115 13.204 -12.020 -15.359 815 HG SER 115 HG SER 115 11.220 -10.515 -15.180 816 H GLY 116 H GLY 116 10.910 -14.107 -17.643 817 HA2 GLY 116 1HA GLY 116 12.857 -16.233 -17.022 818 HA3 GLY 116 2HA GLY 116 11.259 -16.639 -17.628 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.032 -20.425 3.890 2 HA2 GLY 1 1HA GLY 1 4.312 -20.822 3.885 3 HA3 GLY 1 2HA GLY 1 4.122 -21.678 2.361 4 H SER 2 H SER 2 5.794 -20.756 1.257 5 HA SER 2 HA SER 2 5.767 -17.829 0.969 6 HB2 SER 2 1HB SER 2 7.935 -19.892 0.731 7 HB3 SER 2 2HB SER 2 8.102 -18.341 -0.091 8 HG SER 2 HG SER 2 7.484 -18.554 2.663 9 H SER 3 H SER 3 6.116 -20.827 -0.906 10 HA SER 3 HA SER 3 5.688 -19.371 -3.391 11 HB2 SER 3 1HB SER 3 6.578 -22.130 -2.672 12 HB3 SER 3 2HB SER 3 5.849 -21.874 -4.258 13 HG SER 3 HG SER 3 7.453 -20.445 -4.763 14 H GLY 4 H GLY 4 3.786 -19.213 -4.393 15 HA2 GLY 4 1HA GLY 4 1.475 -20.532 -3.215 16 HA3 GLY 4 2HA GLY 4 1.446 -19.266 -4.433 17 H SER 5 H SER 5 -0.248 -20.774 -5.292 18 HA SER 5 HA SER 5 1.018 -22.800 -7.020 19 HB2 SER 5 1HB SER 5 -1.074 -24.096 -6.906 20 HB3 SER 5 2HB SER 5 -0.371 -23.875 -5.303 21 HG SER 5 HG SER 5 -2.071 -22.782 -4.727 22 H SER 6 H SER 6 -1.737 -20.583 -6.687 23 HA SER 6 HA SER 6 -1.706 -20.253 -9.615 24 HB2 SER 6 1HB SER 6 -4.014 -20.655 -7.750 25 HB3 SER 6 2HB SER 6 -4.240 -19.668 -9.195 26 HG SER 6 HG SER 6 -2.947 -22.072 -9.602 27 H GLY 7 H GLY 7 -1.739 -18.202 -10.390 28 HA2 GLY 7 1HA GLY 7 -0.953 -16.078 -8.735 29 HA3 GLY 7 2HA GLY 7 -1.532 -15.918 -10.387 30 H THR 8 H THR 8 -2.178 -15.275 -7.148 31 HA THR 8 HA THR 8 -4.754 -14.124 -7.852 32 HB THR 8 HB THR 8 -5.206 -16.456 -6.996 33 HG1 THR 8 1HG THR 8 -6.788 -15.586 -5.393 34 HG21 THR 8 1HG2 THR 8 -4.303 -17.171 -5.089 35 HG22 THR 8 2HG2 THR 8 -4.989 -15.804 -4.211 36 HG23 THR 8 3HG2 THR 8 -3.409 -15.656 -4.980 37 H GLN 9 H GLN 9 -5.677 -13.042 -5.721 38 HA GLN 9 HA GLN 9 -3.968 -10.968 -5.034 39 HB2 GLN 9 1HB GLN 9 -6.323 -12.010 -3.452 40 HB3 GLN 9 2HB GLN 9 -5.585 -10.425 -3.264 41 HG2 GLN 9 1HG GLN 9 -7.346 -9.885 -4.595 42 HG3 GLN 9 2HG GLN 9 -6.134 -10.233 -5.827 43 HE21 GLN 9 1HE2 GLN 9 -8.775 -11.694 -3.996 44 HE22 GLN 9 2HE2 GLN 9 -9.269 -12.788 -5.239 45 H GLU 10 H GLU 10 -4.144 -14.159 -3.776 46 HA GLU 10 HA GLU 10 -3.259 -13.937 -1.188 47 HB2 GLU 10 1HB GLU 10 -3.831 -16.069 -2.304 48 HB3 GLU 10 2HB GLU 10 -2.329 -15.979 -3.214 49 HG2 GLU 10 1HG GLU 10 -1.655 -17.352 -1.547 50 HG3 GLU 10 2HG GLU 10 -1.292 -15.802 -0.789 51 H GLU 11 H GLU 11 -1.206 -14.142 -4.094 52 HA GLU 11 HA GLU 11 1.255 -13.867 -2.808 53 HB2 GLU 11 1HB GLU 11 0.733 -14.464 -5.263 54 HB3 GLU 11 2HB GLU 11 0.713 -12.728 -5.538 55 HG2 GLU 11 1HG GLU 11 3.002 -12.545 -4.787 56 HG3 GLU 11 2HG GLU 11 3.034 -14.262 -4.390 57 H LEU 12 H LEU 12 -1.060 -11.452 -3.873 58 HA LEU 12 HA LEU 12 0.620 -9.196 -3.515 59 HB2 LEU 12 1HB LEU 12 -1.320 -9.015 -4.900 60 HB3 LEU 12 2HB LEU 12 -2.375 -9.496 -3.572 61 HG LEU 12 HG LEU 12 -1.710 -7.359 -2.415 62 HD11 LEU 12 1HD1 LEU 12 -0.739 -5.589 -3.735 63 HD12 LEU 12 2HD1 LEU 12 -0.635 -6.650 -5.141 64 HD13 LEU 12 3HD1 LEU 12 0.351 -6.976 -3.715 65 HD21 LEU 12 1HD2 LEU 12 -3.825 -7.739 -3.732 66 HD22 LEU 12 2HD2 LEU 12 -3.036 -6.927 -5.083 67 HD23 LEU 12 3HD2 LEU 12 -3.316 -6.058 -3.573 68 H LEU 13 H LEU 13 -2.097 -10.375 -1.523 69 HA LEU 13 HA LEU 13 -1.879 -8.685 0.614 70 HB2 LEU 13 1HB LEU 13 -3.684 -10.170 0.608 71 HB3 LEU 13 2HB LEU 13 -2.637 -11.579 0.446 72 HG LEU 13 HG LEU 13 -1.831 -11.052 2.805 73 HD11 LEU 13 1HD1 LEU 13 -2.788 -9.449 4.054 74 HD12 LEU 13 2HD1 LEU 13 -4.385 -9.705 3.351 75 HD13 LEU 13 3HD1 LEU 13 -3.189 -8.734 2.493 76 HD21 LEU 13 1HD2 LEU 13 -4.736 -11.796 2.503 77 HD22 LEU 13 2HD2 LEU 13 -3.640 -12.265 3.804 78 HD23 LEU 13 3HD2 LEU 13 -3.390 -12.887 2.172 79 H ARG 14 H ARG 14 -0.499 -11.972 0.704 80 HA ARG 14 HA ARG 14 1.042 -11.798 2.923 81 HB2 ARG 14 1HB ARG 14 1.904 -13.095 0.331 82 HB3 ARG 14 2HB ARG 14 2.539 -13.463 1.930 83 HG2 ARG 14 1HG ARG 14 0.136 -14.072 2.547 84 HG3 ARG 14 2HG ARG 14 -0.173 -14.064 0.810 85 HD2 ARG 14 1HD ARG 14 2.157 -15.603 1.847 86 HD3 ARG 14 2HD ARG 14 0.538 -16.268 2.066 87 HE ARG 14 HE ARG 14 0.404 -16.636 -0.208 88 HH11 ARG 14 2HH1 ARG 14 3.220 -14.728 0.533 89 HH12 ARG 14 1HH1 ARG 14 3.908 -14.892 -1.049 90 HH21 ARG 14 2HH2 ARG 14 1.299 -16.858 -2.295 91 HH22 ARG 14 1HH2 ARG 14 2.813 -16.102 -2.657 92 H TRP 15 H TRP 15 2.177 -10.926 -0.344 93 HA TRP 15 HA TRP 15 4.701 -10.019 0.326 94 HB2 TRP 15 1HB TRP 15 4.010 -10.288 -1.987 95 HB3 TRP 15 2HB TRP 15 2.830 -8.992 -1.818 96 HD1 TRP 15 HD TRP 15 6.633 -9.553 -2.010 97 HE1 TRP 15 1HE TRP 15 7.741 -7.346 -2.736 98 HE3 TRP 15 3HE TRP 15 2.527 -6.508 -1.894 99 HZ2 TRP 15 2HZ TRP 15 6.976 -4.668 -3.196 100 HZ3 TRP 15 3HZ TRP 15 2.801 -4.136 -2.491 101 HH2 TRP 15 HH TRP 15 4.980 -3.238 -3.128 102 H CYS 16 H CYS 16 1.659 -8.186 0.243 103 HA CYS 16 HA CYS 16 2.719 -5.687 0.920 104 HB2 CYS 16 1HB CYS 16 -0.007 -6.908 1.330 105 HB3 CYS 16 2HB CYS 16 0.357 -5.254 1.810 106 HG CYS 16 HG CYS 16 -0.582 -6.350 -1.098 107 H GLN 17 H GLN 17 1.723 -8.402 2.921 108 HA GLN 17 HA GLN 17 1.777 -7.099 5.411 109 HB2 GLN 17 1HB GLN 17 2.123 -9.974 4.592 110 HB3 GLN 17 2HB GLN 17 2.231 -9.480 6.276 111 HG2 GLN 17 1HG GLN 17 -0.033 -8.593 6.176 112 HG3 GLN 17 2HG GLN 17 -0.144 -9.052 4.477 113 HE21 GLN 17 1HE2 GLN 17 -1.641 -9.871 6.942 114 HE22 GLN 17 2HE2 GLN 17 -1.586 -11.598 6.929 115 H GLU 18 H GLU 18 4.305 -8.397 3.395 116 HA GLU 18 HA GLU 18 6.313 -8.316 5.463 117 HB2 GLU 18 1HB GLU 18 6.395 -8.820 2.495 118 HB3 GLU 18 2HB GLU 18 7.864 -8.682 3.452 119 HG2 GLU 18 1HG GLU 18 7.003 -10.528 4.895 120 HG3 GLU 18 2HG GLU 18 5.680 -10.727 3.747 121 H GLN 19 H GLN 19 5.294 -6.292 2.770 122 HA GLN 19 HA GLN 19 7.473 -4.462 2.958 123 HB2 GLN 19 1HB GLN 19 4.741 -4.086 1.718 124 HB3 GLN 19 2HB GLN 19 6.134 -3.042 1.466 125 HG2 GLN 19 1HG GLN 19 5.736 -5.868 0.548 126 HG3 GLN 19 2HG GLN 19 6.006 -4.424 -0.427 127 HE21 GLN 19 1HE2 GLN 19 7.443 -7.020 -0.237 128 HE22 GLN 19 2HE2 GLN 19 9.092 -6.598 0.058 129 H THR 20 H THR 20 4.114 -4.411 4.105 130 HA THR 20 HA THR 20 4.299 -1.848 5.320 131 HB THR 20 HB THR 20 2.208 -2.545 6.535 132 HG1 THR 20 1HG THR 20 1.402 -4.618 5.323 133 HG21 THR 20 1HG2 THR 20 2.276 -2.923 3.538 134 HG22 THR 20 2HG2 THR 20 2.057 -1.401 4.402 135 HG23 THR 20 3HG2 THR 20 0.817 -2.652 4.491 136 H ALA 21 H ALA 21 4.955 -5.111 6.399 137 HA ALA 21 HA ALA 21 4.898 -5.042 9.089 138 HB1 ALA 21 1HB ALA 21 6.033 -6.937 8.887 139 HB2 ALA 21 2HB ALA 21 6.245 -6.574 7.174 140 HB3 ALA 21 3HB ALA 21 7.472 -6.074 8.339 141 H GLY 22 H GLY 22 6.227 -4.362 10.793 142 HA2 GLY 22 1HA GLY 22 8.119 -3.244 11.703 143 HA3 GLY 22 2HA GLY 22 8.397 -2.500 10.135 144 H TYR 23 H TYR 23 5.759 -1.572 9.673 145 HA TYR 23 HA TYR 23 5.867 0.899 11.044 146 HB2 TYR 23 1HB TYR 23 4.776 0.198 8.732 147 HB3 TYR 23 2HB TYR 23 3.340 0.003 9.731 148 HD1 TYR 23 2HD TYR 23 2.959 2.083 11.405 149 HD2 TYR 23 1HD TYR 23 5.056 2.239 7.707 150 HE1 TYR 23 2HE TYR 23 2.535 4.502 11.274 151 HE2 TYR 23 1HE TYR 23 4.640 4.659 7.566 152 HH TYR 23 HH TYR 23 2.540 6.297 9.841 153 HA PRO 24 HA PRO 24 3.776 -0.278 14.774 154 HB2 PRO 24 1HB PRO 24 3.503 2.227 15.783 155 HB3 PRO 24 2HB PRO 24 5.036 1.348 15.798 156 HG2 PRO 24 1HG PRO 24 4.083 3.463 13.905 157 HG3 PRO 24 2HG PRO 24 5.681 3.266 14.652 158 HD2 PRO 24 1HD PRO 24 5.159 2.508 12.105 159 HD3 PRO 24 2HD PRO 24 6.331 1.659 13.133 160 H GLY 25 H GLY 25 1.765 -1.011 14.159 161 HA2 GLY 25 1HA GLY 25 -0.571 -0.399 14.703 162 HA3 GLY 25 2HA GLY 25 -0.298 1.073 13.782 163 H VAL 26 H VAL 26 1.037 0.004 11.569 164 HA VAL 26 HA VAL 26 -1.138 -0.826 9.981 165 HB VAL 26 HB VAL 26 1.783 -1.164 9.297 166 HG11 VAL 26 1HG1 VAL 26 -0.749 -1.006 7.690 167 HG12 VAL 26 2HG1 VAL 26 0.831 -0.674 6.977 168 HG13 VAL 26 3HG1 VAL 26 0.491 -2.259 7.674 169 HG21 VAL 26 1HG2 VAL 26 1.386 1.117 8.167 170 HG22 VAL 26 2HG2 VAL 26 0.031 1.269 9.285 171 HG23 VAL 26 3HG2 VAL 26 1.671 1.083 9.907 172 H HIS 27 H HIS 27 -2.114 -2.732 10.180 173 HA HIS 27 HA HIS 27 -0.441 -5.149 10.258 174 HB2 HIS 27 1HB HIS 27 -1.540 -4.505 12.502 175 HB3 HIS 27 2HB HIS 27 -3.054 -4.987 11.742 176 HD1 HIS 27 1HD HIS 27 -1.399 -6.393 14.178 177 HD2 HIS 27 2HD HIS 27 -1.828 -7.722 10.264 178 HE1 HIS 27 1HE HIS 27 -1.008 -8.877 14.264 179 HE2 HIS 27 2HE HIS 27 -1.189 -9.645 11.872 180 H VAL 28 H VAL 28 -0.860 -5.042 7.926 181 HA VAL 28 HA VAL 28 -3.377 -5.163 6.745 182 HB VAL 28 HB VAL 28 -0.819 -6.470 5.808 183 HG11 VAL 28 1HG1 VAL 28 -2.056 -6.042 3.536 184 HG12 VAL 28 2HG1 VAL 28 -2.386 -7.498 4.478 185 HG13 VAL 28 3HG1 VAL 28 -3.498 -6.130 4.546 186 HG21 VAL 28 1HG2 VAL 28 -0.533 -4.096 6.100 187 HG22 VAL 28 2HG2 VAL 28 -0.639 -4.453 4.376 188 HG23 VAL 28 3HG2 VAL 28 -2.027 -3.770 5.221 189 H SER 29 H SER 29 -4.889 -6.509 7.564 190 HA SER 29 HA SER 29 -4.197 -9.353 7.856 191 HB2 SER 29 1HB SER 29 -5.997 -9.559 9.408 192 HB3 SER 29 2HB SER 29 -5.135 -8.084 9.847 193 HG SER 29 HG SER 29 -6.874 -6.987 9.433 194 H ASP 30 H ASP 30 -6.273 -7.092 6.218 195 HA ASP 30 HA ASP 30 -6.979 -9.052 4.252 196 HB2 ASP 30 1HB ASP 30 -9.198 -7.904 5.961 197 HB3 ASP 30 2HB ASP 30 -9.404 -8.941 4.551 198 H LEU 31 H LEU 31 -7.515 -8.119 2.332 199 HA LEU 31 HA LEU 31 -7.096 -5.294 2.085 200 HB2 LEU 31 1HB LEU 31 -7.751 -7.486 0.141 201 HB3 LEU 31 2HB LEU 31 -7.688 -5.796 -0.355 202 HG LEU 31 HG LEU 31 -5.300 -5.804 0.571 203 HD11 LEU 31 1HD1 LEU 31 -6.086 -8.503 1.142 204 HD12 LEU 31 2HD1 LEU 31 -4.603 -7.652 1.579 205 HD13 LEU 31 3HD1 LEU 31 -4.714 -8.491 0.032 206 HD21 LEU 31 1HD2 LEU 31 -4.433 -6.839 -1.521 207 HD22 LEU 31 2HD2 LEU 31 -5.723 -5.666 -1.784 208 HD23 LEU 31 3HD2 LEU 31 -6.070 -7.392 -1.872 209 H SER 32 H SER 32 -9.186 -5.415 3.711 210 HA SER 32 HA SER 32 -11.437 -4.576 2.012 211 HB2 SER 32 1HB SER 32 -11.889 -6.804 3.028 212 HB3 SER 32 2HB SER 32 -11.697 -6.084 4.625 213 HG SER 32 HG SER 32 -13.407 -4.548 3.728 214 H SER 33 H SER 33 -10.351 -4.537 5.412 215 HA SER 33 HA SER 33 -11.056 -1.676 5.495 216 HB2 SER 33 1HB SER 33 -11.613 -3.871 7.451 217 HB3 SER 33 2HB SER 33 -11.344 -2.237 8.057 218 HG SER 33 HG SER 33 -13.324 -3.101 6.222 219 H SER 34 H SER 34 -8.771 -4.164 6.239 220 HA SER 34 HA SER 34 -7.127 -2.975 8.106 221 HB2 SER 34 1HB SER 34 -6.987 -5.289 6.812 222 HB3 SER 34 2HB SER 34 -5.838 -4.396 5.816 223 HG SER 34 HG SER 34 -4.774 -3.849 7.846 224 H TRP 35 H TRP 35 -7.626 -2.114 4.801 225 HA TRP 35 HA TRP 35 -5.336 -0.273 4.878 226 HB2 TRP 35 1HB TRP 35 -7.001 -1.174 2.518 227 HB3 TRP 35 2HB TRP 35 -5.604 -0.104 2.439 228 HD1 TRP 35 HD TRP 35 -6.375 -3.733 3.596 229 HE1 TRP 35 1HE TRP 35 -4.322 -5.185 3.046 230 HE3 TRP 35 3HE TRP 35 -3.285 -0.106 1.741 231 HZ2 TRP 35 2HZ TRP 35 -1.736 -4.841 1.972 232 HZ3 TRP 35 3HZ TRP 35 -1.038 -0.751 0.974 233 HH2 TRP 35 HH TRP 35 -0.281 -3.070 1.088 234 H ALA 36 H ALA 36 -8.691 -0.388 5.211 235 HA ALA 36 HA ALA 36 -9.562 1.986 4.046 236 HB1 ALA 36 1HB ALA 36 -11.360 1.934 5.780 237 HB2 ALA 36 2HB ALA 36 -11.155 0.421 4.896 238 HB3 ALA 36 3HB ALA 36 -10.518 0.580 6.534 239 H ASP 37 H ASP 37 -7.806 1.428 7.017 240 HA ASP 37 HA ASP 37 -8.232 3.885 8.286 241 HB2 ASP 37 1HB ASP 37 -7.211 2.140 9.541 242 HB3 ASP 37 2HB ASP 37 -5.914 1.956 8.364 243 H GLY 38 H GLY 38 -5.741 2.899 5.954 244 HA2 GLY 38 1HA GLY 38 -5.163 4.603 4.259 245 HA3 GLY 38 2HA GLY 38 -5.122 5.765 5.577 246 H LEU 39 H LEU 39 -3.686 4.443 7.491 247 HA LEU 39 HA LEU 39 -1.080 4.982 6.924 248 HB2 LEU 39 1HB LEU 39 -2.393 3.120 8.837 249 HB3 LEU 39 2HB LEU 39 -0.641 3.041 8.659 250 HG LEU 39 HG LEU 39 -2.115 5.574 9.358 251 HD11 LEU 39 1HD1 LEU 39 -2.532 3.870 11.070 252 HD12 LEU 39 2HD1 LEU 39 -1.498 5.166 11.668 253 HD13 LEU 39 3HD1 LEU 39 -0.795 3.610 11.227 254 HD21 LEU 39 1HD2 LEU 39 0.162 5.757 8.378 255 HD22 LEU 39 2HD2 LEU 39 0.774 4.796 9.725 256 HD23 LEU 39 3HD2 LEU 39 0.045 6.373 10.027 257 H ALA 40 H ALA 40 -2.714 1.863 6.487 258 HA ALA 40 HA ALA 40 -0.787 0.139 5.813 259 HB1 ALA 40 1HB ALA 40 -3.053 -0.541 5.623 260 HB2 ALA 40 2HB ALA 40 -3.363 0.623 4.334 261 HB3 ALA 40 3HB ALA 40 -2.317 -0.765 4.035 262 H LEU 41 H LEU 41 -2.209 2.279 3.333 263 HA LEU 41 HA LEU 41 -0.347 1.734 1.334 264 HB2 LEU 41 1HB LEU 41 -2.274 3.919 1.884 265 HB3 LEU 41 2HB LEU 41 -1.029 4.223 0.675 266 HG LEU 41 HG LEU 41 -2.747 1.777 0.492 267 HD11 LEU 41 1HD1 LEU 41 -4.563 2.862 -0.247 268 HD12 LEU 41 2HD1 LEU 41 -3.615 4.097 -1.075 269 HD13 LEU 41 3HD1 LEU 41 -3.910 4.227 0.658 270 HD21 LEU 41 1HD2 LEU 41 -0.852 1.865 -0.979 271 HD22 LEU 41 2HD2 LEU 41 -1.267 3.501 -1.492 272 HD23 LEU 41 3HD2 LEU 41 -2.311 2.147 -1.928 273 H CYS 42 H CYS 42 -0.256 4.055 3.970 274 HA CYS 42 HA CYS 42 1.965 5.548 3.093 275 HB2 CYS 42 1HB CYS 42 1.259 5.037 5.980 276 HB3 CYS 42 2HB CYS 42 2.053 6.450 5.294 277 HG CYS 42 HG CYS 42 -1.119 5.711 4.323 278 H ALA 43 H ALA 43 1.715 2.687 5.166 279 HA ALA 43 HA ALA 43 4.448 2.502 5.820 280 HB1 ALA 43 1HB ALA 43 3.365 1.121 7.218 281 HB2 ALA 43 2HB ALA 43 2.078 0.790 6.057 282 HB3 ALA 43 3HB ALA 43 3.609 -0.078 5.947 283 H LEU 44 H LEU 44 2.549 0.745 3.365 284 HA LEU 44 HA LEU 44 4.576 -0.752 2.242 285 HB2 LEU 44 1HB LEU 44 2.434 -1.252 1.504 286 HB3 LEU 44 2HB LEU 44 2.062 0.432 1.139 287 HG LEU 44 HG LEU 44 3.842 0.158 -0.731 288 HD11 LEU 44 1HD1 LEU 44 3.624 -2.284 -1.591 289 HD12 LEU 44 2HD1 LEU 44 3.309 -2.660 0.103 290 HD13 LEU 44 3HD1 LEU 44 4.827 -1.894 -0.361 291 HD21 LEU 44 1HD2 LEU 44 1.009 -0.638 -0.609 292 HD22 LEU 44 2HD2 LEU 44 1.901 -1.191 -2.027 293 HD23 LEU 44 3HD2 LEU 44 1.820 0.531 -1.651 294 H VAL 45 H VAL 45 3.631 2.580 1.508 295 HA VAL 45 HA VAL 45 5.483 2.935 -0.618 296 HB VAL 45 HB VAL 45 4.141 5.000 1.133 297 HG11 VAL 45 1HG1 VAL 45 4.999 5.717 -1.585 298 HG12 VAL 45 2HG1 VAL 45 5.064 6.649 -0.088 299 HG13 VAL 45 3HG1 VAL 45 6.306 5.444 -0.433 300 HG21 VAL 45 1HG2 VAL 45 3.003 3.267 -0.687 301 HG22 VAL 45 2HG2 VAL 45 2.307 4.786 -0.122 302 HG23 VAL 45 3HG2 VAL 45 3.240 4.747 -1.618 303 H TYR 46 H TYR 46 5.504 4.217 2.714 304 HA TYR 46 HA TYR 46 8.018 5.354 2.695 305 HB2 TYR 46 1HB TYR 46 6.330 4.161 4.864 306 HB3 TYR 46 2HB TYR 46 7.966 4.694 5.234 307 HD1 TYR 46 1HD TYR 46 8.402 7.140 3.948 308 HD2 TYR 46 2HD TYR 46 4.737 5.675 5.537 309 HE1 TYR 46 1HE TYR 46 7.595 9.450 4.200 310 HE2 TYR 46 2HE TYR 46 3.920 7.981 5.793 311 HH TYR 46 HH TYR 46 5.637 10.534 5.944 312 H ARG 47 H ARG 47 7.227 2.112 3.963 313 HA ARG 47 HA ARG 47 9.795 1.237 4.461 314 HB2 ARG 47 1HB ARG 47 7.422 0.117 4.814 315 HB3 ARG 47 2HB ARG 47 7.834 -0.698 3.312 316 HG2 ARG 47 1HG ARG 47 9.822 -0.684 5.526 317 HG3 ARG 47 2HG ARG 47 8.424 -1.755 5.633 318 HD2 ARG 47 1HD ARG 47 9.010 -2.843 3.591 319 HD3 ARG 47 2HD ARG 47 10.262 -1.648 3.251 320 HE ARG 47 HE ARG 47 10.539 -3.978 4.831 321 HH11 ARG 47 2HH1 ARG 47 11.527 -0.645 4.661 322 HH12 ARG 47 1HH1 ARG 47 13.009 -0.905 5.519 323 HH21 ARG 47 2HH2 ARG 47 12.488 -4.334 5.963 324 HH22 ARG 47 1HH2 ARG 47 13.556 -3.003 6.259 325 H LEU 48 H LEU 48 7.906 0.502 1.521 326 HA LEU 48 HA LEU 48 9.651 -0.824 -0.011 327 HB2 LEU 48 1HB LEU 48 7.710 1.331 -0.667 328 HB3 LEU 48 2HB LEU 48 8.792 0.767 -1.938 329 HG LEU 48 HG LEU 48 6.969 -1.059 -0.380 330 HD11 LEU 48 1HD1 LEU 48 6.499 0.258 -3.051 331 HD12 LEU 48 2HD1 LEU 48 5.615 0.577 -1.560 332 HD13 LEU 48 3HD1 LEU 48 5.495 -1.002 -2.334 333 HD21 LEU 48 1HD2 LEU 48 9.129 -1.702 -1.857 334 HD22 LEU 48 2HD2 LEU 48 7.887 -1.686 -3.109 335 HD23 LEU 48 3HD2 LEU 48 7.706 -2.731 -1.700 336 H GLN 49 H GLN 49 9.640 2.733 0.220 337 HA GLN 49 HA GLN 49 12.439 2.700 -0.699 338 HB2 GLN 49 1HB GLN 49 10.159 4.505 -1.329 339 HB3 GLN 49 2HB GLN 49 11.758 5.228 -1.212 340 HG2 GLN 49 1HG GLN 49 12.599 3.812 -2.944 341 HG3 GLN 49 2HG GLN 49 11.102 2.883 -2.976 342 HE21 GLN 49 1HE2 GLN 49 11.756 6.366 -2.918 343 HE22 GLN 49 2HE2 GLN 49 10.873 6.731 -4.357 344 HA PRO 50 HA PRO 50 12.927 4.146 3.551 345 HB2 PRO 50 1HB PRO 50 15.604 3.701 3.621 346 HB3 PRO 50 2HB PRO 50 14.411 2.419 3.860 347 HG2 PRO 50 1HG PRO 50 15.956 3.133 1.398 348 HG3 PRO 50 2HG PRO 50 15.607 1.532 2.074 349 HD2 PRO 50 1HD PRO 50 14.218 2.570 -0.006 350 HD3 PRO 50 2HD PRO 50 13.479 1.484 1.189 351 H GLY 51 H GLY 51 14.436 5.186 0.599 352 HA2 GLY 51 1HA GLY 51 16.007 7.304 1.577 353 HA3 GLY 51 2HA GLY 51 15.351 7.189 -0.049 354 H LEU 52 H LEU 52 12.650 7.288 0.401 355 HA LEU 52 HA LEU 52 12.149 10.015 0.607 356 HB2 LEU 52 1HB LEU 52 10.461 7.565 0.691 357 HB3 LEU 52 2HB LEU 52 9.729 9.105 1.139 358 HG LEU 52 HG LEU 52 11.197 8.956 -1.443 359 HD11 LEU 52 1HD1 LEU 52 10.005 7.160 -2.068 360 HD12 LEU 52 2HD1 LEU 52 8.686 8.318 -2.228 361 HD13 LEU 52 3HD1 LEU 52 8.835 7.349 -0.762 362 HD21 LEU 52 1HD2 LEU 52 8.906 10.286 -1.892 363 HD22 LEU 52 2HD2 LEU 52 10.369 11.049 -1.269 364 HD23 LEU 52 3HD2 LEU 52 9.085 10.567 -0.159 365 H LEU 53 H LEU 53 11.013 11.240 2.205 366 HA LEU 53 HA LEU 53 12.045 11.139 4.752 367 HB2 LEU 53 1HB LEU 53 10.448 12.764 5.371 368 HB3 LEU 53 2HB LEU 53 10.820 13.043 3.671 369 HG LEU 53 HG LEU 53 8.531 13.333 3.733 370 HD11 LEU 53 1HD1 LEU 53 9.030 11.763 1.992 371 HD12 LEU 53 2HD1 LEU 53 7.505 11.298 2.745 372 HD13 LEU 53 3HD1 LEU 53 8.982 10.415 3.129 373 HD21 LEU 53 1HD2 LEU 53 8.155 10.898 5.458 374 HD22 LEU 53 2HD2 LEU 53 6.992 12.174 5.097 375 HD23 LEU 53 3HD2 LEU 53 8.385 12.515 6.124 376 H GLU 54 H GLU 54 10.478 11.048 6.774 377 HA GLU 54 HA GLU 54 9.114 8.438 6.657 378 HB2 GLU 54 1HB GLU 54 10.611 9.731 8.943 379 HB3 GLU 54 2HB GLU 54 9.664 8.257 9.092 380 HG2 GLU 54 1HG GLU 54 11.133 7.240 7.341 381 HG3 GLU 54 2HG GLU 54 12.149 8.676 7.455 382 HA PRO 55 HA PRO 55 5.370 10.305 7.979 383 HB2 PRO 55 1HB PRO 55 4.292 8.317 9.482 384 HB3 PRO 55 2HB PRO 55 4.390 8.243 7.718 385 HG2 PRO 55 1HG PRO 55 6.176 6.991 9.768 386 HG3 PRO 55 2HG PRO 55 5.533 6.294 8.270 387 HD2 PRO 55 1HD PRO 55 8.059 7.251 8.466 388 HD3 PRO 55 2HD PRO 55 7.123 7.329 6.960 389 H SER 56 H SER 56 5.974 12.001 9.313 390 HA SER 56 HA SER 56 6.347 11.381 12.165 391 HB2 SER 56 1HB SER 56 8.058 12.780 10.779 392 HB3 SER 56 2HB SER 56 6.882 14.082 10.962 393 HG SER 56 HG SER 56 7.558 12.668 13.258 394 H GLU 57 H GLU 57 4.167 12.696 9.909 395 HA GLU 57 HA GLU 57 2.626 13.988 12.062 396 HB2 GLU 57 1HB GLU 57 2.523 14.492 9.083 397 HB3 GLU 57 2HB GLU 57 1.508 15.282 10.280 398 HG2 GLU 57 1HG GLU 57 4.478 15.542 9.925 399 HG3 GLU 57 2HG GLU 57 3.246 16.787 9.726 400 H LEU 58 H LEU 58 2.511 11.749 9.362 401 HA LEU 58 HA LEU 58 -0.202 11.257 9.180 402 HB2 LEU 58 1HB LEU 58 2.218 9.556 8.753 403 HB3 LEU 58 2HB LEU 58 0.612 8.844 8.627 404 HG LEU 58 HG LEU 58 0.083 10.534 6.865 405 HD11 LEU 58 1HD1 LEU 58 2.376 11.371 5.813 406 HD12 LEU 58 2HD1 LEU 58 2.858 11.345 7.510 407 HD13 LEU 58 3HD1 LEU 58 1.479 12.318 7.001 408 HD21 LEU 58 1HD2 LEU 58 2.321 9.316 5.571 409 HD22 LEU 58 2HD2 LEU 58 0.610 8.906 5.454 410 HD23 LEU 58 3HD2 LEU 58 1.609 8.171 6.710 411 H GLN 59 H GLN 59 2.104 10.128 11.567 412 HA GLN 59 HA GLN 59 0.726 8.060 12.755 413 HB2 GLN 59 1HB GLN 59 2.072 8.381 14.658 414 HB3 GLN 59 2HB GLN 59 3.044 8.975 13.318 415 HG2 GLN 59 1HG GLN 59 2.616 11.233 13.893 416 HG3 GLN 59 2HG GLN 59 1.373 10.768 15.053 417 HE21 GLN 59 1HE2 GLN 59 4.643 9.529 14.496 418 HE22 GLN 59 2HE2 GLN 59 5.221 9.836 16.095 419 H GLY 60 H GLY 60 0.280 11.537 13.179 420 HA2 GLY 60 1HA GLY 60 -1.905 11.036 15.072 421 HA3 GLY 60 2HA GLY 60 -1.155 12.593 14.752 422 H LEU 61 H LEU 61 -1.294 12.515 11.920 423 HA LEU 61 HA LEU 61 -3.591 13.790 11.325 424 HB2 LEU 61 1HB LEU 61 -2.049 11.870 9.594 425 HB3 LEU 61 2HB LEU 61 -3.348 12.891 8.982 426 HG LEU 61 HG LEU 61 -0.830 13.943 10.267 427 HD11 LEU 61 1HD1 LEU 61 -1.285 14.278 7.375 428 HD12 LEU 61 2HD1 LEU 61 -0.856 12.652 7.906 429 HD13 LEU 61 3HD1 LEU 61 0.211 14.007 8.270 430 HD21 LEU 61 1HD2 LEU 61 -3.015 15.289 8.679 431 HD22 LEU 61 2HD2 LEU 61 -1.538 16.062 9.257 432 HD23 LEU 61 3HD2 LEU 61 -2.728 15.457 10.411 433 H GLY 62 H GLY 62 -5.539 13.149 10.122 434 HA2 GLY 62 1HA GLY 62 -6.924 11.065 11.467 435 HA3 GLY 62 2HA GLY 62 -7.527 11.993 10.102 436 H ALA 63 H ALA 63 -8.306 9.497 10.075 437 HA ALA 63 HA ALA 63 -6.594 7.553 9.016 438 HB1 ALA 63 1HB ALA 63 -9.306 7.331 8.013 439 HB2 ALA 63 2HB ALA 63 -8.410 6.267 9.098 440 HB3 ALA 63 3HB ALA 63 -9.257 7.672 9.743 441 H LEU 64 H LEU 64 -8.564 10.018 7.426 442 HA LEU 64 HA LEU 64 -7.930 9.109 4.779 443 HB2 LEU 64 1HB LEU 64 -9.937 10.568 5.731 444 HB3 LEU 64 2HB LEU 64 -8.860 11.885 5.272 445 HG LEU 64 HG LEU 64 -8.885 11.158 2.969 446 HD11 LEU 64 1HD1 LEU 64 -10.930 9.231 2.906 447 HD12 LEU 64 2HD1 LEU 64 -9.764 8.690 4.113 448 HD13 LEU 64 3HD1 LEU 64 -9.234 9.030 2.466 449 HD21 LEU 64 1HD2 LEU 64 -10.953 12.342 4.265 450 HD22 LEU 64 2HD2 LEU 64 -11.767 10.976 3.501 451 HD23 LEU 64 3HD2 LEU 64 -10.861 12.125 2.516 452 H GLU 65 H GLU 65 -6.979 11.930 6.736 453 HA GLU 65 HA GLU 65 -5.334 13.280 5.074 454 HB2 GLU 65 1HB GLU 65 -5.064 12.653 7.996 455 HB3 GLU 65 2HB GLU 65 -3.832 13.602 7.178 456 HG2 GLU 65 1HG GLU 65 -6.739 14.333 7.087 457 HG3 GLU 65 2HG GLU 65 -5.666 14.873 8.376 458 H ALA 66 H ALA 66 -4.685 10.169 6.539 459 HA ALA 66 HA ALA 66 -1.922 10.042 5.918 460 HB1 ALA 66 1HB ALA 66 -3.584 7.573 6.085 461 HB2 ALA 66 2HB ALA 66 -1.975 7.895 6.731 462 HB3 ALA 66 3HB ALA 66 -3.396 8.583 7.519 463 H THR 67 H THR 67 -4.502 8.056 4.470 464 HA THR 67 HA THR 67 -3.261 7.055 2.309 465 HB THR 67 HB THR 67 -6.037 8.251 2.195 466 HG1 THR 67 1HG THR 67 -5.920 6.794 3.900 467 HG21 THR 67 1HG2 THR 67 -4.753 6.039 0.588 468 HG22 THR 67 2HG2 THR 67 -5.178 7.644 -0.007 469 HG23 THR 67 3HG2 THR 67 -6.445 6.524 0.493 470 H ALA 68 H ALA 68 -4.348 10.377 2.662 471 HA ALA 68 HA ALA 68 -4.149 11.298 0.066 472 HB1 ALA 68 1HB ALA 68 -3.344 13.481 1.288 473 HB2 ALA 68 2HB ALA 68 -4.992 12.882 1.487 474 HB3 ALA 68 3HB ALA 68 -3.784 12.569 2.733 475 H TRP 69 H TRP 69 -1.569 11.272 2.528 476 HA TRP 69 HA TRP 69 0.465 12.249 0.871 477 HB2 TRP 69 1HB TRP 69 0.760 12.232 3.261 478 HB3 TRP 69 2HB TRP 69 0.598 10.479 3.317 479 HD1 TRP 69 HD TRP 69 3.102 13.231 2.474 480 HE1 TRP 69 1HE TRP 69 5.444 12.185 2.262 481 HE3 TRP 69 3HE TRP 69 1.808 8.291 2.710 482 HZ2 TRP 69 2HZ TRP 69 6.591 9.607 2.202 483 HZ3 TRP 69 3HZ TRP 69 3.588 6.598 2.567 484 HH2 TRP 69 HH TRP 69 5.929 7.244 2.318 485 H ALA 70 H ALA 70 -0.085 8.873 1.893 486 HA ALA 70 HA ALA 70 1.784 7.565 0.431 487 HB1 ALA 70 1HB ALA 70 -0.014 6.610 1.975 488 HB2 ALA 70 2HB ALA 70 -1.026 6.518 0.533 489 HB3 ALA 70 3HB ALA 70 0.490 5.622 0.603 490 H LEU 71 H LEU 71 -1.507 8.238 -0.778 491 HA LEU 71 HA LEU 71 -1.154 7.330 -3.370 492 HB2 LEU 71 1HB LEU 71 -2.904 9.471 -2.207 493 HB3 LEU 71 2HB LEU 71 -2.940 9.089 -3.927 494 HG LEU 71 HG LEU 71 -3.454 7.026 -1.798 495 HD11 LEU 71 1HD1 LEU 71 -5.809 7.389 -2.078 496 HD12 LEU 71 2HD1 LEU 71 -5.517 8.646 -3.278 497 HD13 LEU 71 3HD1 LEU 71 -5.055 8.909 -1.598 498 HD21 LEU 71 1HD2 LEU 71 -4.838 6.254 -3.956 499 HD22 LEU 71 2HD2 LEU 71 -3.158 5.794 -3.673 500 HD23 LEU 71 3HD2 LEU 71 -3.536 7.140 -4.750 501 H LYS 72 H LYS 72 0.012 10.220 -1.872 502 HA LYS 72 HA LYS 72 0.588 11.570 -4.361 503 HB2 LYS 72 1HB LYS 72 0.036 12.660 -2.087 504 HB3 LYS 72 2HB LYS 72 1.711 12.318 -1.673 505 HG2 LYS 72 1HG LYS 72 2.229 13.549 -3.906 506 HG3 LYS 72 2HG LYS 72 0.608 14.215 -3.692 507 HD2 LYS 72 1HD LYS 72 1.381 14.813 -1.320 508 HD3 LYS 72 2HD LYS 72 3.014 14.514 -1.921 509 HE2 LYS 72 1HE LYS 72 1.169 16.332 -3.417 510 HE3 LYS 72 2HE LYS 72 2.027 16.921 -1.993 511 HZ1 LYS 72 1HZ LYS 72 3.570 15.524 -4.051 512 HZ2 LYS 72 2HZ LYS 72 4.032 16.791 -3.030 513 HZ3 LYS 72 3HZ LYS 72 3.061 17.103 -4.381 514 H VAL 73 H VAL 73 2.719 10.653 -1.652 515 HA VAL 73 HA VAL 73 5.124 10.812 -2.977 516 HB VAL 73 HB VAL 73 4.273 8.990 -0.735 517 HG11 VAL 73 1HG1 VAL 73 6.046 7.747 -1.480 518 HG12 VAL 73 2HG1 VAL 73 6.867 9.139 -2.188 519 HG13 VAL 73 3HG1 VAL 73 6.887 8.897 -0.441 520 HG21 VAL 73 1HG2 VAL 73 5.583 11.654 -0.967 521 HG22 VAL 73 2HG2 VAL 73 4.328 11.107 0.146 522 HG23 VAL 73 3HG2 VAL 73 6.003 10.618 0.398 523 H ALA 74 H ALA 74 2.646 8.458 -3.345 524 HA ALA 74 HA ALA 74 4.364 6.461 -4.543 525 HB1 ALA 74 1HB ALA 74 2.235 5.256 -4.970 526 HB2 ALA 74 2HB ALA 74 2.483 5.676 -3.274 527 HB3 ALA 74 3HB ALA 74 1.368 6.620 -4.262 528 H GLU 75 H GLU 75 2.027 8.886 -5.597 529 HA GLU 75 HA GLU 75 2.175 8.106 -8.361 530 HB2 GLU 75 1HB GLU 75 0.150 9.143 -7.387 531 HB3 GLU 75 2HB GLU 75 1.054 10.629 -7.126 532 HG2 GLU 75 1HG GLU 75 0.873 9.460 -9.865 533 HG3 GLU 75 2HG GLU 75 -0.476 10.383 -9.206 534 H ASN 76 H ASN 76 4.027 10.066 -6.269 535 HA ASN 76 HA ASN 76 5.181 11.621 -8.454 536 HB2 ASN 76 1HB ASN 76 5.403 11.751 -5.456 537 HB3 ASN 76 2HB ASN 76 6.546 12.607 -6.487 538 HD21 ASN 76 1HD2 ASN 76 3.934 13.076 -4.703 539 HD22 ASN 76 2HD2 ASN 76 3.161 14.349 -5.578 540 H GLU 77 H GLU 77 6.519 9.787 -5.697 541 HA GLU 77 HA GLU 77 9.015 9.378 -7.039 542 HB2 GLU 77 1HB GLU 77 7.845 8.650 -4.409 543 HB3 GLU 77 2HB GLU 77 9.165 7.649 -4.996 544 HG2 GLU 77 1HG GLU 77 9.327 10.641 -4.796 545 HG3 GLU 77 2HG GLU 77 9.822 9.549 -3.504 546 H LEU 78 H LEU 78 6.777 6.948 -5.696 547 HA LEU 78 HA LEU 78 7.767 4.809 -7.196 548 HB2 LEU 78 1HB LEU 78 4.925 5.044 -6.247 549 HB3 LEU 78 2HB LEU 78 5.882 3.580 -6.464 550 HG LEU 78 HG LEU 78 6.189 5.655 -4.299 551 HD11 LEU 78 1HD1 LEU 78 5.104 4.247 -2.933 552 HD12 LEU 78 2HD1 LEU 78 5.847 2.816 -3.648 553 HD13 LEU 78 3HD1 LEU 78 4.455 3.570 -4.427 554 HD21 LEU 78 1HD2 LEU 78 7.776 3.374 -3.799 555 HD22 LEU 78 2HD2 LEU 78 8.306 5.034 -4.072 556 HD23 LEU 78 3HD2 LEU 78 8.152 3.921 -5.433 557 H GLY 79 H GLY 79 5.631 7.368 -8.069 558 HA2 GLY 79 1HA GLY 79 4.694 7.927 -10.092 559 HA3 GLY 79 2HA GLY 79 5.682 6.666 -10.813 560 H ILE 80 H ILE 80 3.722 5.563 -8.273 561 HA ILE 80 HA ILE 80 2.146 3.981 -10.085 562 HB ILE 80 HB ILE 80 1.981 4.215 -7.078 563 HG12 ILE 80 1HG1 ILE 80 4.140 3.340 -8.178 564 HG13 ILE 80 2HG1 ILE 80 3.394 2.344 -6.933 565 HG21 ILE 80 1HG2 ILE 80 0.359 2.806 -9.040 566 HG22 ILE 80 2HG2 ILE 80 1.022 1.741 -7.802 567 HG23 ILE 80 3HG2 ILE 80 0.046 3.133 -7.336 568 HD11 ILE 80 1HD1 ILE 80 2.983 0.673 -8.356 569 HD12 ILE 80 2HD1 ILE 80 2.487 1.761 -9.652 570 HD13 ILE 80 3HD1 ILE 80 4.199 1.458 -9.363 571 H THR 81 H THR 81 0.884 5.474 -11.222 572 HA THR 81 HA THR 81 -0.596 7.578 -10.370 573 HB THR 81 HB THR 81 -1.501 5.463 -12.334 574 HG1 THR 81 1HG THR 81 -0.318 6.542 -13.757 575 HG21 THR 81 1HG2 THR 81 -3.122 7.343 -11.255 576 HG22 THR 81 2HG2 THR 81 -3.287 6.730 -12.901 577 HG23 THR 81 3HG2 THR 81 -2.437 8.246 -12.606 578 HA PRO 82 HA PRO 82 -3.411 6.000 -7.344 579 HB2 PRO 82 1HB PRO 82 -5.045 8.166 -7.222 580 HB3 PRO 82 2HB PRO 82 -3.435 8.135 -6.493 581 HG2 PRO 82 1HG PRO 82 -4.309 9.308 -9.104 582 HG3 PRO 82 2HG PRO 82 -3.214 9.985 -7.885 583 HD2 PRO 82 1HD PRO 82 -2.319 8.789 -10.143 584 HD3 PRO 82 2HD PRO 82 -1.425 8.726 -8.611 585 H VAL 83 H VAL 83 -4.544 4.339 -8.278 586 HA VAL 83 HA VAL 83 -6.453 4.767 -10.379 587 HB VAL 83 HB VAL 83 -5.085 2.616 -9.835 588 HG11 VAL 83 1HG1 VAL 83 -6.303 2.646 -7.493 589 HG12 VAL 83 2HG1 VAL 83 -7.535 1.754 -8.387 590 HG13 VAL 83 3HG1 VAL 83 -5.887 1.131 -8.295 591 HG21 VAL 83 1HG2 VAL 83 -7.717 1.628 -10.455 592 HG22 VAL 83 2HG2 VAL 83 -7.411 3.148 -11.295 593 HG23 VAL 83 3HG2 VAL 83 -6.306 1.789 -11.502 594 H VAL 84 H VAL 84 -6.544 4.496 -6.895 595 HA VAL 84 HA VAL 84 -9.471 4.843 -6.980 596 HB VAL 84 HB VAL 84 -7.789 3.558 -4.826 597 HG11 VAL 84 1HG1 VAL 84 -9.687 4.932 -3.963 598 HG12 VAL 84 2HG1 VAL 84 -10.783 3.892 -4.875 599 HG13 VAL 84 3HG1 VAL 84 -9.797 3.215 -3.578 600 HG21 VAL 84 1HG2 VAL 84 -9.430 1.634 -5.417 601 HG22 VAL 84 2HG2 VAL 84 -9.639 2.512 -6.933 602 HG23 VAL 84 3HG2 VAL 84 -8.041 1.936 -6.460 603 H SER 85 H SER 85 -10.420 6.334 -5.565 604 HA SER 85 HA SER 85 -8.745 8.595 -4.940 605 HB2 SER 85 1HB SER 85 -11.709 8.108 -4.587 606 HB3 SER 85 2HB SER 85 -10.909 9.629 -4.191 607 HG SER 85 HG SER 85 -11.761 8.762 -6.570 608 H ALA 86 H ALA 86 -7.912 9.124 -3.023 609 HA ALA 86 HA ALA 86 -7.512 7.504 -0.923 610 HB1 ALA 86 1HB ALA 86 -6.842 10.027 -1.375 611 HB2 ALA 86 2HB ALA 86 -8.114 10.316 -0.187 612 HB3 ALA 86 3HB ALA 86 -6.731 9.305 0.231 613 H GLN 87 H GLN 87 -10.468 9.242 -1.594 614 HA GLN 87 HA GLN 87 -11.676 8.847 0.950 615 HB2 GLN 87 1HB GLN 87 -12.328 10.554 -0.830 616 HB3 GLN 87 2HB GLN 87 -13.146 9.232 -1.652 617 HG2 GLN 87 1HG GLN 87 -14.863 10.156 -0.453 618 HG3 GLN 87 2HG GLN 87 -14.316 8.890 0.646 619 HE21 GLN 87 1HE2 GLN 87 -14.027 9.477 2.666 620 HE22 GLN 87 2HE2 GLN 87 -13.714 11.080 3.230 621 H ALA 88 H ALA 88 -12.141 7.233 -2.194 622 HA ALA 88 HA ALA 88 -13.974 5.311 -1.386 623 HB1 ALA 88 1HB ALA 88 -11.815 4.921 -3.453 624 HB2 ALA 88 2HB ALA 88 -13.358 4.072 -3.349 625 HB3 ALA 88 3HB ALA 88 -13.322 5.794 -3.733 626 H VAL 89 H VAL 89 -10.430 5.195 -1.326 627 HA VAL 89 HA VAL 89 -10.016 2.577 -0.581 628 HB VAL 89 HB VAL 89 -8.507 5.018 0.364 629 HG11 VAL 89 1HG1 VAL 89 -7.366 3.656 1.698 630 HG12 VAL 89 2HG1 VAL 89 -8.253 2.251 1.104 631 HG13 VAL 89 3HG1 VAL 89 -6.802 2.801 0.263 632 HG21 VAL 89 1HG2 VAL 89 -8.220 3.196 -2.008 633 HG22 VAL 89 2HG2 VAL 89 -8.386 4.952 -1.983 634 HG23 VAL 89 3HG2 VAL 89 -6.891 4.199 -1.428 635 H VAL 90 H VAL 90 -10.428 5.349 1.627 636 HA VAL 90 HA VAL 90 -10.509 3.744 3.971 637 HB VAL 90 HB VAL 90 -11.531 6.559 3.573 638 HG11 VAL 90 1HG1 VAL 90 -10.588 6.077 6.202 639 HG12 VAL 90 2HG1 VAL 90 -12.227 6.472 5.679 640 HG13 VAL 90 3HG1 VAL 90 -11.717 4.787 5.788 641 HG21 VAL 90 1HG2 VAL 90 -9.351 6.965 3.192 642 HG22 VAL 90 2HG2 VAL 90 -9.202 6.793 4.940 643 HG23 VAL 90 3HG2 VAL 90 -8.837 5.427 3.887 644 H ALA 91 H ALA 91 -13.063 5.481 2.189 645 HA ALA 91 HA ALA 91 -15.240 4.695 3.705 646 HB1 ALA 91 1HB ALA 91 -14.806 5.881 1.125 647 HB2 ALA 91 2HB ALA 91 -16.146 4.736 1.057 648 HB3 ALA 91 3HB ALA 91 -16.174 6.059 2.224 649 H GLY 92 H GLY 92 -13.211 2.762 1.788 650 HA2 GLY 92 1HA GLY 92 -13.309 0.572 1.099 651 HA3 GLY 92 2HA GLY 92 -14.317 0.340 2.520 652 H SER 93 H SER 93 -15.512 2.557 0.207 653 HA SER 93 HA SER 93 -17.798 0.917 -0.306 654 HB2 SER 93 1HB SER 93 -17.043 3.473 -1.730 655 HB3 SER 93 2HB SER 93 -18.654 2.779 -1.549 656 HG SER 93 HG SER 93 -17.948 3.026 0.862 657 H ASP 94 H ASP 94 -14.780 1.468 -1.879 658 HA ASP 94 HA ASP 94 -15.683 -0.182 -4.146 659 HB2 ASP 94 1HB ASP 94 -13.525 1.915 -4.351 660 HB3 ASP 94 2HB ASP 94 -14.339 1.063 -5.661 661 HA PRO 95 HA PRO 95 -12.315 -2.460 -2.016 662 HB2 PRO 95 1HB PRO 95 -13.350 -4.911 -2.554 663 HB3 PRO 95 2HB PRO 95 -13.859 -3.936 -1.170 664 HG2 PRO 95 1HG PRO 95 -15.183 -4.280 -3.833 665 HG3 PRO 95 2HG PRO 95 -15.911 -4.256 -2.216 666 HD2 PRO 95 1HD PRO 95 -15.955 -2.108 -3.865 667 HD3 PRO 95 2HD PRO 95 -15.880 -1.954 -2.098 668 H LEU 96 H LEU 96 -13.766 -2.803 -5.193 669 HA LEU 96 HA LEU 96 -11.830 -4.500 -6.338 670 HB2 LEU 96 1HB LEU 96 -13.560 -2.415 -7.660 671 HB3 LEU 96 2HB LEU 96 -12.683 -3.698 -8.493 672 HG LEU 96 HG LEU 96 -14.159 -5.203 -6.849 673 HD11 LEU 96 1HD1 LEU 96 -15.610 -2.600 -7.122 674 HD12 LEU 96 2HD1 LEU 96 -15.403 -3.620 -5.700 675 HD13 LEU 96 3HD1 LEU 96 -16.497 -4.119 -6.990 676 HD21 LEU 96 1HD2 LEU 96 -14.420 -5.824 -9.002 677 HD22 LEU 96 2HD2 LEU 96 -14.522 -4.161 -9.585 678 HD23 LEU 96 3HD2 LEU 96 -15.933 -4.928 -8.854 679 H GLY 97 H GLY 97 -12.184 -0.953 -6.515 680 HA2 GLY 97 1HA GLY 97 -9.966 -0.338 -8.023 681 HA3 GLY 97 2HA GLY 97 -10.595 0.693 -6.746 682 H LEU 98 H LEU 98 -10.010 -0.328 -4.454 683 HA LEU 98 HA LEU 98 -7.369 0.130 -3.960 684 HB2 LEU 98 1HB LEU 98 -9.024 -0.049 -2.201 685 HB3 LEU 98 2HB LEU 98 -9.196 -1.777 -2.507 686 HG LEU 98 HG LEU 98 -6.896 -2.135 -1.727 687 HD11 LEU 98 1HD1 LEU 98 -5.604 -0.383 -0.743 688 HD12 LEU 98 2HD1 LEU 98 -6.911 0.779 -0.966 689 HD13 LEU 98 3HD1 LEU 98 -6.065 0.124 -2.368 690 HD21 LEU 98 1HD2 LEU 98 -8.957 -2.084 -0.206 691 HD22 LEU 98 2HD2 LEU 98 -8.346 -0.526 0.352 692 HD23 LEU 98 3HD2 LEU 98 -7.370 -1.982 0.558 693 H ILE 99 H ILE 99 -8.801 -3.128 -4.236 694 HA ILE 99 HA ILE 99 -6.556 -4.667 -4.056 695 HB ILE 99 HB ILE 99 -8.901 -5.074 -5.913 696 HG12 ILE 99 1HG1 ILE 99 -8.330 -6.426 -3.278 697 HG13 ILE 99 2HG1 ILE 99 -9.258 -4.934 -3.387 698 HG21 ILE 99 1HG2 ILE 99 -8.057 -7.555 -5.521 699 HG22 ILE 99 2HG2 ILE 99 -7.449 -6.559 -6.843 700 HG23 ILE 99 3HG2 ILE 99 -6.504 -6.734 -5.364 701 HD11 ILE 99 1HD1 ILE 99 -9.978 -7.686 -4.231 702 HD12 ILE 99 2HD1 ILE 99 -10.939 -6.466 -3.393 703 HD13 ILE 99 3HD1 ILE 99 -10.652 -6.324 -5.128 704 H ALA 100 H ALA 100 -7.799 -3.116 -7.002 705 HA ALA 100 HA ALA 100 -5.739 -4.064 -8.701 706 HB1 ALA 100 1HB ALA 100 -7.828 -1.944 -8.902 707 HB2 ALA 100 2HB ALA 100 -6.533 -2.002 -10.100 708 HB3 ALA 100 3HB ALA 100 -7.595 -3.392 -9.881 709 H TYR 101 H TYR 101 -6.136 -1.121 -6.792 710 HA TYR 101 HA TYR 101 -4.002 0.360 -7.790 711 HB2 TYR 101 1HB TYR 101 -5.729 1.210 -6.210 712 HB3 TYR 101 2HB TYR 101 -4.959 0.292 -4.921 713 HD1 TYR 101 1HD TYR 101 -3.394 2.310 -7.633 714 HD2 TYR 101 2HD TYR 101 -4.126 1.906 -3.461 715 HE1 TYR 101 1HE TYR 101 -1.888 4.203 -7.191 716 HE2 TYR 101 2HE TYR 101 -2.623 3.799 -3.008 717 HH TYR 101 HH TYR 101 -0.554 5.115 -5.395 718 H LEU 102 H LEU 102 -4.043 -1.855 -5.000 719 HA LEU 102 HA LEU 102 -1.323 -1.646 -4.368 720 HB2 LEU 102 1HB LEU 102 -3.114 -4.039 -3.984 721 HB3 LEU 102 2HB LEU 102 -1.614 -3.705 -3.121 722 HG LEU 102 HG LEU 102 -4.144 -2.072 -2.925 723 HD11 LEU 102 1HD1 LEU 102 -3.734 -4.535 -1.851 724 HD12 LEU 102 2HD1 LEU 102 -4.778 -3.294 -1.158 725 HD13 LEU 102 3HD1 LEU 102 -3.127 -3.487 -0.570 726 HD21 LEU 102 1HD2 LEU 102 -2.623 -0.514 -2.319 727 HD22 LEU 102 2HD2 LEU 102 -1.383 -1.710 -1.943 728 HD23 LEU 102 3HD2 LEU 102 -2.677 -1.387 -0.788 729 H SER 103 H SER 103 -3.037 -3.920 -6.481 730 HA SER 103 HA SER 103 -1.069 -5.697 -7.121 731 HB2 SER 103 1HB SER 103 -3.224 -4.465 -8.829 732 HB3 SER 103 2HB SER 103 -2.136 -5.698 -9.469 733 HG SER 103 HG SER 103 -3.380 -6.215 -7.028 734 H HIS 104 H HIS 104 -1.213 -2.341 -7.942 735 HA HIS 104 HA HIS 104 0.684 -2.429 -10.079 736 HB2 HIS 104 1HB HIS 104 -0.316 -0.149 -8.363 737 HB3 HIS 104 2HB HIS 104 0.771 0.058 -9.733 738 HD1 HIS 104 1HD HIS 104 -0.998 1.485 -10.975 739 HD2 HIS 104 2HD HIS 104 -2.211 -2.402 -10.149 740 HE1 HIS 104 1HE HIS 104 -3.060 1.114 -12.366 741 HE2 HIS 104 2HE HIS 104 -3.825 -1.214 -11.785 742 H PHE 105 H PHE 105 0.853 -1.676 -6.622 743 HA PHE 105 HA PHE 105 3.553 -0.913 -6.549 744 HB2 PHE 105 1HB PHE 105 1.677 -2.021 -4.471 745 HB3 PHE 105 2HB PHE 105 3.356 -1.655 -4.087 746 HD1 PHE 105 1HD PHE 105 0.408 -0.052 -5.717 747 HD2 PHE 105 2HD PHE 105 3.831 0.418 -3.231 748 HE1 PHE 105 1HE PHE 105 -0.199 2.302 -5.332 749 HE2 PHE 105 2HE PHE 105 3.230 2.772 -2.842 750 HZ PHE 105 HZ PHE 105 1.212 3.717 -3.892 751 H HIS 106 H HIS 106 2.028 -4.066 -5.936 752 HA HIS 106 HA HIS 106 4.425 -5.458 -5.412 753 HB2 HIS 106 1HB HIS 106 2.278 -6.366 -4.731 754 HB3 HIS 106 2HB HIS 106 1.752 -6.465 -6.409 755 HD1 HIS 106 1HD HIS 106 1.763 -8.813 -7.146 756 HD2 HIS 106 2HD HIS 106 4.927 -8.001 -4.579 757 HE1 HIS 106 1HE HIS 106 3.050 -10.966 -6.963 758 HE2 HIS 106 2HE HIS 106 4.910 -10.473 -5.338 759 H SER 107 H SER 107 2.396 -5.443 -8.347 760 HA SER 107 HA SER 107 3.963 -6.982 -9.990 761 HB2 SER 107 1HB SER 107 1.677 -5.843 -10.445 762 HB3 SER 107 2HB SER 107 2.642 -4.498 -11.055 763 HG SER 107 HG SER 107 2.518 -7.154 -12.012 764 H ALA 108 H ALA 108 4.553 -3.760 -8.868 765 HA ALA 108 HA ALA 108 6.739 -3.374 -10.775 766 HB1 ALA 108 1HB ALA 108 5.189 -1.508 -10.395 767 HB2 ALA 108 2HB ALA 108 5.654 -1.480 -8.693 768 HB3 ALA 108 3HB ALA 108 6.842 -1.097 -9.938 769 H PHE 109 H PHE 109 6.132 -4.065 -7.416 770 HA PHE 109 HA PHE 109 9.039 -4.084 -6.928 771 HB2 PHE 109 1HB PHE 109 6.749 -3.381 -5.106 772 HB3 PHE 109 2HB PHE 109 8.313 -3.870 -4.462 773 HD1 PHE 109 1HD PHE 109 6.672 -1.384 -6.670 774 HD2 PHE 109 2HD PHE 109 10.053 -2.331 -4.264 775 HE1 PHE 109 1HE PHE 109 7.486 0.925 -6.910 776 HE2 PHE 109 2HE PHE 109 10.870 -0.023 -4.499 777 HZ PHE 109 HZ PHE 109 9.587 1.609 -5.822 778 H LYS 110 H LYS 110 7.769 -6.261 -8.104 779 HA LYS 110 HA LYS 110 7.556 -8.219 -5.919 780 HB2 LYS 110 1HB LYS 110 6.518 -9.696 -7.642 781 HB3 LYS 110 2HB LYS 110 5.607 -8.225 -7.325 782 HG2 LYS 110 1HG LYS 110 6.177 -7.280 -9.368 783 HG3 LYS 110 2HG LYS 110 7.557 -8.358 -9.590 784 HD2 LYS 110 1HD LYS 110 5.858 -10.250 -9.702 785 HD3 LYS 110 2HD LYS 110 4.629 -8.993 -9.854 786 HE2 LYS 110 1HE LYS 110 5.065 -9.424 -12.063 787 HE3 LYS 110 2HE LYS 110 6.211 -8.121 -11.756 788 HZ1 LYS 110 1HZ LYS 110 7.049 -10.191 -12.954 789 HZ2 LYS 110 2HZ LYS 110 6.997 -10.949 -11.444 790 HZ3 LYS 110 3HZ LYS 110 7.986 -9.597 -11.678 791 H SER 111 H SER 111 10.061 -7.660 -6.115 792 HA SER 111 HA SER 111 11.348 -9.346 -8.120 793 HB2 SER 111 1HB SER 111 13.457 -8.364 -7.250 794 HB3 SER 111 2HB SER 111 12.309 -7.134 -7.780 795 HG SER 111 HG SER 111 12.900 -6.410 -5.838 796 H GLY 112 H GLY 112 12.981 -10.906 -7.499 797 HA2 GLY 112 1HA GLY 112 13.341 -11.780 -4.835 798 HA3 GLY 112 2HA GLY 112 12.095 -12.753 -5.604 799 HA PRO 113 HA PRO 113 16.545 -14.132 -6.679 800 HB2 PRO 113 1HB PRO 113 16.799 -16.192 -4.929 801 HB3 PRO 113 2HB PRO 113 17.319 -14.544 -4.555 802 HG2 PRO 113 1HG PRO 113 14.800 -15.960 -3.771 803 HG3 PRO 113 2HG PRO 113 15.846 -14.914 -2.794 804 HD2 PRO 113 1HD PRO 113 13.535 -14.037 -3.899 805 HD3 PRO 113 2HD PRO 113 14.943 -12.981 -3.666 806 H SER 114 H SER 114 15.544 -14.829 -8.603 807 HA SER 114 HA SER 114 13.696 -16.887 -8.871 808 HB2 SER 114 1HB SER 114 15.829 -15.843 -10.730 809 HB3 SER 114 2HB SER 114 14.730 -17.136 -11.210 810 HG SER 114 HG SER 114 13.349 -15.626 -11.636 811 H SER 115 H SER 115 13.967 -18.793 -7.873 812 HA SER 115 HA SER 115 16.364 -20.084 -7.317 813 HB2 SER 115 1HB SER 115 14.019 -20.590 -6.410 814 HB3 SER 115 2HB SER 115 13.794 -21.566 -7.861 815 HG SER 115 HG SER 115 15.311 -22.959 -7.182 816 H GLY 116 H GLY 116 14.048 -20.939 -9.901 817 HA2 GLY 116 1HA GLY 116 14.637 -21.422 -12.139 818 HA3 GLY 116 2HA GLY 116 16.307 -21.623 -11.631 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.037 -31.888 -4.615 2 HA2 GLY 1 1HA GLY 1 1.237 -31.196 -2.055 3 HA3 GLY 1 2HA GLY 1 2.970 -30.903 -2.115 4 H SER 2 H SER 2 3.603 -28.961 -2.772 5 HA SER 2 HA SER 2 1.628 -27.113 -3.812 6 HB2 SER 2 1HB SER 2 3.083 -26.271 -2.085 7 HB3 SER 2 2HB SER 2 4.518 -26.753 -2.991 8 HG SER 2 HG SER 2 2.785 -24.598 -3.401 9 H SER 3 H SER 3 1.331 -26.709 -5.893 10 HA SER 3 HA SER 3 2.945 -27.919 -7.903 11 HB2 SER 3 1HB SER 3 1.464 -26.669 -9.484 12 HB3 SER 3 2HB SER 3 0.575 -27.626 -8.299 13 HG SER 3 HG SER 3 0.046 -25.234 -8.756 14 H GLY 4 H GLY 4 2.353 -24.514 -7.021 15 HA2 GLY 4 1HA GLY 4 4.933 -23.600 -7.145 16 HA3 GLY 4 2HA GLY 4 4.373 -23.541 -8.809 17 H SER 5 H SER 5 2.308 -22.347 -9.178 18 HA SER 5 HA SER 5 1.822 -20.232 -7.210 19 HB2 SER 5 1HB SER 5 1.843 -18.535 -9.061 20 HB3 SER 5 2HB SER 5 3.426 -19.224 -8.701 21 HG SER 5 HG SER 5 2.566 -19.072 -11.017 22 H SER 6 H SER 6 -0.279 -19.986 -6.874 23 HA SER 6 HA SER 6 -2.187 -21.311 -8.588 24 HB2 SER 6 1HB SER 6 -2.572 -21.486 -6.227 25 HB3 SER 6 2HB SER 6 -2.485 -19.736 -6.023 26 HG SER 6 HG SER 6 -4.465 -19.527 -6.795 27 H GLY 7 H GLY 7 -1.638 -17.964 -7.492 28 HA2 GLY 7 1HA GLY 7 -1.773 -16.100 -8.976 29 HA3 GLY 7 2HA GLY 7 -2.844 -17.038 -10.006 30 H THR 8 H THR 8 -2.716 -15.729 -6.694 31 HA THR 8 HA THR 8 -5.403 -14.649 -7.074 32 HB THR 8 HB THR 8 -6.009 -16.674 -6.031 33 HG1 THR 8 1HG THR 8 -7.104 -15.200 -4.884 34 HG21 THR 8 1HG2 THR 8 -4.373 -16.564 -3.631 35 HG22 THR 8 2HG2 THR 8 -3.403 -16.723 -5.094 36 HG23 THR 8 3HG2 THR 8 -4.661 -17.905 -4.737 37 H GLN 9 H GLN 9 -6.024 -13.345 -5.015 38 HA GLN 9 HA GLN 9 -4.202 -11.256 -4.722 39 HB2 GLN 9 1HB GLN 9 -6.557 -12.074 -3.021 40 HB3 GLN 9 2HB GLN 9 -5.654 -10.586 -2.763 41 HG2 GLN 9 1HG GLN 9 -7.411 -9.853 -4.040 42 HG3 GLN 9 2HG GLN 9 -6.175 -10.139 -5.264 43 HE21 GLN 9 1HE2 GLN 9 -9.004 -11.545 -3.711 44 HE22 GLN 9 2HE2 GLN 9 -9.482 -12.523 -5.052 45 H GLU 10 H GLU 10 -4.322 -14.299 -3.169 46 HA GLU 10 HA GLU 10 -3.201 -13.775 -0.681 47 HB2 GLU 10 1HB GLU 10 -4.053 -15.974 -1.285 48 HB3 GLU 10 2HB GLU 10 -2.783 -16.162 -2.487 49 HG2 GLU 10 1HG GLU 10 -1.908 -17.381 -0.777 50 HG3 GLU 10 2HG GLU 10 -1.210 -15.802 -0.420 51 H GLU 11 H GLU 11 -1.659 -14.133 -3.831 52 HA GLU 11 HA GLU 11 1.011 -14.173 -2.927 53 HB2 GLU 11 1HB GLU 11 0.045 -14.716 -5.267 54 HB3 GLU 11 2HB GLU 11 0.182 -12.988 -5.562 55 HG2 GLU 11 1HG GLU 11 2.557 -13.062 -5.193 56 HG3 GLU 11 2HG GLU 11 2.467 -14.761 -4.730 57 H LEU 12 H LEU 12 -1.208 -11.554 -3.665 58 HA LEU 12 HA LEU 12 0.799 -9.505 -3.459 59 HB2 LEU 12 1HB LEU 12 -1.082 -9.113 -4.886 60 HB3 LEU 12 2HB LEU 12 -2.210 -9.416 -3.565 61 HG LEU 12 HG LEU 12 -1.151 -7.348 -2.460 62 HD11 LEU 12 1HD1 LEU 12 -0.557 -5.866 -4.691 63 HD12 LEU 12 2HD1 LEU 12 0.226 -7.410 -5.026 64 HD13 LEU 12 3HD1 LEU 12 0.612 -6.526 -3.549 65 HD21 LEU 12 1HD2 LEU 12 -2.982 -7.365 -4.827 66 HD22 LEU 12 2HD2 LEU 12 -2.552 -5.847 -4.040 67 HD23 LEU 12 3HD2 LEU 12 -3.359 -7.119 -3.121 68 H LEU 13 H LEU 13 -2.065 -10.327 -1.491 69 HA LEU 13 HA LEU 13 -1.744 -8.628 0.609 70 HB2 LEU 13 1HB LEU 13 -3.634 -10.042 0.564 71 HB3 LEU 13 2HB LEU 13 -2.637 -11.496 0.570 72 HG LEU 13 HG LEU 13 -1.934 -10.848 2.914 73 HD11 LEU 13 1HD1 LEU 13 -4.361 -9.079 2.828 74 HD12 LEU 13 2HD1 LEU 13 -2.722 -8.462 2.625 75 HD13 LEU 13 3HD1 LEU 13 -3.184 -9.261 4.128 76 HD21 LEU 13 1HD2 LEU 13 -4.813 -11.223 3.166 77 HD22 LEU 13 2HD2 LEU 13 -3.484 -12.279 3.646 78 HD23 LEU 13 3HD2 LEU 13 -4.072 -12.301 1.983 79 H ARG 14 H ARG 14 -0.334 -11.903 0.467 80 HA ARG 14 HA ARG 14 1.123 -11.829 2.809 81 HB2 ARG 14 1HB ARG 14 1.694 -13.194 0.181 82 HB3 ARG 14 2HB ARG 14 2.695 -13.436 1.606 83 HG2 ARG 14 1HG ARG 14 0.679 -14.215 2.825 84 HG3 ARG 14 2HG ARG 14 -0.225 -14.097 1.314 85 HD2 ARG 14 1HD ARG 14 1.335 -15.695 0.282 86 HD3 ARG 14 2HD ARG 14 2.187 -15.836 1.820 87 HE ARG 14 HE ARG 14 -0.412 -16.446 2.406 88 HH11 ARG 14 2HH1 ARG 14 1.974 -17.657 0.179 89 HH12 ARG 14 1HH1 ARG 14 1.351 -19.274 0.187 90 HH21 ARG 14 2HH2 ARG 14 -1.243 -18.571 2.424 91 HH22 ARG 14 1HH2 ARG 14 -0.480 -19.792 1.464 92 H TRP 15 H TRP 15 2.201 -10.852 -0.440 93 HA TRP 15 HA TRP 15 4.793 -10.097 0.190 94 HB2 TRP 15 1HB TRP 15 4.085 -10.218 -2.109 95 HB3 TRP 15 2HB TRP 15 2.885 -8.954 -1.858 96 HD1 TRP 15 HD TRP 15 6.737 -9.368 -1.877 97 HE1 TRP 15 1HE TRP 15 7.773 -7.134 -2.626 98 HE3 TRP 15 3HE TRP 15 2.474 -6.564 -2.190 99 HZ2 TRP 15 2HZ TRP 15 6.897 -4.528 -3.265 100 HZ3 TRP 15 3HZ TRP 15 2.660 -4.208 -2.878 101 HH2 TRP 15 HH TRP 15 4.827 -3.213 -3.403 102 H CYS 16 H CYS 16 1.854 -8.089 0.199 103 HA CYS 16 HA CYS 16 3.074 -5.707 1.027 104 HB2 CYS 16 1HB CYS 16 0.259 -6.751 1.279 105 HB3 CYS 16 2HB CYS 16 0.716 -5.166 1.894 106 HG CYS 16 HG CYS 16 0.333 -6.198 -1.293 107 H GLN 17 H GLN 17 1.513 -8.274 2.922 108 HA GLN 17 HA GLN 17 1.650 -7.187 5.442 109 HB2 GLN 17 1HB GLN 17 1.940 -10.025 4.488 110 HB3 GLN 17 2HB GLN 17 1.992 -9.625 6.200 111 HG2 GLN 17 1HG GLN 17 -0.242 -8.510 5.891 112 HG3 GLN 17 2HG GLN 17 -0.286 -9.233 4.284 113 HE21 GLN 17 1HE2 GLN 17 -2.213 -9.764 6.185 114 HE22 GLN 17 2HE2 GLN 17 -2.087 -11.415 6.677 115 H GLU 18 H GLU 18 4.208 -8.827 3.636 116 HA GLU 18 HA GLU 18 6.109 -8.835 5.736 117 HB2 GLU 18 1HB GLU 18 6.358 -9.064 2.742 118 HB3 GLU 18 2HB GLU 18 7.760 -9.107 3.801 119 HG2 GLU 18 1HG GLU 18 6.906 -11.070 4.917 120 HG3 GLU 18 2HG GLU 18 5.429 -11.003 3.960 121 H GLN 19 H GLN 19 5.425 -6.577 3.104 122 HA GLN 19 HA GLN 19 7.628 -4.862 3.608 123 HB2 GLN 19 1HB GLN 19 5.000 -4.296 2.227 124 HB3 GLN 19 2HB GLN 19 6.408 -3.245 2.188 125 HG2 GLN 19 1HG GLN 19 6.128 -5.991 1.003 126 HG3 GLN 19 2HG GLN 19 6.364 -4.462 0.156 127 HE21 GLN 19 1HE2 GLN 19 7.876 -7.179 0.787 128 HE22 GLN 19 2HE2 GLN 19 9.506 -6.635 0.958 129 H THR 20 H THR 20 4.151 -4.359 4.241 130 HA THR 20 HA THR 20 4.484 -2.070 5.827 131 HB THR 20 HB THR 20 2.189 -2.445 6.600 132 HG1 THR 20 1HG THR 20 2.682 -5.019 5.555 133 HG21 THR 20 1HG2 THR 20 1.082 -2.367 4.461 134 HG22 THR 20 2HG2 THR 20 2.450 -3.159 3.678 135 HG23 THR 20 3HG2 THR 20 2.627 -1.528 4.325 136 H ALA 21 H ALA 21 4.869 -5.423 6.547 137 HA ALA 21 HA ALA 21 4.375 -5.644 9.225 138 HB1 ALA 21 1HB ALA 21 5.969 -7.036 7.302 139 HB2 ALA 21 2HB ALA 21 6.843 -6.938 8.831 140 HB3 ALA 21 3HB ALA 21 5.227 -7.643 8.782 141 H GLY 22 H GLY 22 6.764 -3.684 7.702 142 HA2 GLY 22 1HA GLY 22 8.282 -3.334 10.175 143 HA3 GLY 22 2HA GLY 22 8.691 -2.668 8.601 144 H TYR 23 H TYR 23 5.758 -2.457 10.608 145 HA TYR 23 HA TYR 23 6.202 0.359 11.092 146 HB2 TYR 23 1HB TYR 23 5.067 -0.012 8.754 147 HB3 TYR 23 2HB TYR 23 3.623 -0.301 9.718 148 HD1 TYR 23 2HD TYR 23 3.427 1.585 11.716 149 HD2 TYR 23 1HD TYR 23 5.233 2.113 7.900 150 HE1 TYR 23 2HE TYR 23 3.048 4.010 11.878 151 HE2 TYR 23 1HE TYR 23 4.859 4.539 8.053 152 HH TYR 23 HH TYR 23 2.816 5.945 10.340 153 HA PRO 24 HA PRO 24 4.095 -1.017 14.748 154 HB2 PRO 24 1HB PRO 24 4.063 1.390 16.004 155 HB3 PRO 24 2HB PRO 24 5.512 0.384 15.894 156 HG2 PRO 24 1HG PRO 24 4.719 2.751 14.241 157 HG3 PRO 24 2HG PRO 24 6.304 2.343 14.924 158 HD2 PRO 24 1HD PRO 24 5.674 1.890 12.329 159 HD3 PRO 24 2HD PRO 24 6.785 0.845 13.239 160 H GLY 25 H GLY 25 1.992 -1.494 14.406 161 HA2 GLY 25 1HA GLY 25 -0.247 -0.706 14.995 162 HA3 GLY 25 2HA GLY 25 0.130 0.785 14.145 163 H VAL 26 H VAL 26 1.374 -0.495 11.879 164 HA VAL 26 HA VAL 26 -0.977 -0.989 10.331 165 HB VAL 26 HB VAL 26 1.923 -1.336 9.555 166 HG11 VAL 26 1HG1 VAL 26 -0.621 -1.291 7.953 167 HG12 VAL 26 2HG1 VAL 26 0.963 -0.987 7.235 168 HG13 VAL 26 3HG1 VAL 26 0.622 -2.541 7.998 169 HG21 VAL 26 1HG2 VAL 26 0.227 0.984 8.748 170 HG22 VAL 26 2HG2 VAL 26 0.988 0.976 10.339 171 HG23 VAL 26 3HG2 VAL 26 1.982 0.870 8.886 172 H HIS 27 H HIS 27 -2.052 -2.846 10.486 173 HA HIS 27 HA HIS 27 -0.513 -5.352 10.378 174 HB2 HIS 27 1HB HIS 27 -1.446 -4.889 12.671 175 HB3 HIS 27 2HB HIS 27 -3.057 -4.984 11.967 176 HD1 HIS 27 1HD HIS 27 -0.443 -7.033 13.438 177 HD2 HIS 27 2HD HIS 27 -3.624 -7.629 10.833 178 HE1 HIS 27 1HE HIS 27 -0.839 -9.515 13.418 179 HE2 HIS 27 2HE HIS 27 -2.712 -9.861 11.770 180 H VAL 28 H VAL 28 -0.929 -5.179 8.073 181 HA VAL 28 HA VAL 28 -3.443 -5.051 6.888 182 HB VAL 28 HB VAL 28 -0.990 -6.530 5.928 183 HG11 VAL 28 1HG1 VAL 28 -2.311 -5.857 3.680 184 HG12 VAL 28 2HG1 VAL 28 -2.470 -7.423 4.477 185 HG13 VAL 28 3HG1 VAL 28 -3.671 -6.163 4.759 186 HG21 VAL 28 1HG2 VAL 28 -0.594 -4.158 6.272 187 HG22 VAL 28 2HG2 VAL 28 -0.634 -4.526 4.547 188 HG23 VAL 28 3HG2 VAL 28 -2.023 -3.761 5.317 189 H SER 29 H SER 29 -4.779 -6.313 8.328 190 HA SER 29 HA SER 29 -4.420 -9.150 8.522 191 HB2 SER 29 1HB SER 29 -6.618 -9.124 9.646 192 HB3 SER 29 2HB SER 29 -5.534 -7.904 10.315 193 HG SER 29 HG SER 29 -7.852 -7.597 8.799 194 H ASP 30 H ASP 30 -5.936 -7.012 6.296 195 HA ASP 30 HA ASP 30 -6.430 -9.035 4.404 196 HB2 ASP 30 1HB ASP 30 -8.336 -9.249 6.236 197 HB3 ASP 30 2HB ASP 30 -9.043 -7.921 5.322 198 H LEU 31 H LEU 31 -7.785 -8.165 2.529 199 HA LEU 31 HA LEU 31 -6.994 -5.384 2.101 200 HB2 LEU 31 1HB LEU 31 -7.761 -7.638 0.281 201 HB3 LEU 31 2HB LEU 31 -7.726 -5.972 -0.296 202 HG LEU 31 HG LEU 31 -5.294 -5.946 0.527 203 HD11 LEU 31 1HD1 LEU 31 -5.141 -8.832 0.050 204 HD12 LEU 31 2HD1 LEU 31 -5.922 -8.380 1.564 205 HD13 LEU 31 3HD1 LEU 31 -4.286 -7.824 1.216 206 HD21 LEU 31 1HD2 LEU 31 -6.355 -7.403 -1.859 207 HD22 LEU 31 2HD2 LEU 31 -4.616 -7.309 -1.577 208 HD23 LEU 31 3HD2 LEU 31 -5.561 -5.831 -1.767 209 H SER 32 H SER 32 -9.216 -5.865 3.803 210 HA SER 32 HA SER 32 -11.470 -4.932 2.153 211 HB2 SER 32 1HB SER 32 -12.861 -5.595 4.175 212 HB3 SER 32 2HB SER 32 -12.102 -6.924 3.299 213 HG SER 32 HG SER 32 -10.935 -7.363 4.996 214 H SER 33 H SER 33 -10.614 -4.586 5.592 215 HA SER 33 HA SER 33 -11.096 -1.691 5.317 216 HB2 SER 33 1HB SER 33 -11.479 -3.478 7.731 217 HB3 SER 33 2HB SER 33 -11.692 -1.728 7.731 218 HG SER 33 HG SER 33 -13.555 -1.954 6.767 219 H SER 34 H SER 34 -8.864 -4.134 6.242 220 HA SER 34 HA SER 34 -7.211 -2.870 8.050 221 HB2 SER 34 1HB SER 34 -7.098 -5.246 6.855 222 HB3 SER 34 2HB SER 34 -5.918 -4.411 5.845 223 HG SER 34 HG SER 34 -5.671 -4.072 8.591 224 H TRP 35 H TRP 35 -7.633 -2.237 4.666 225 HA TRP 35 HA TRP 35 -5.333 -0.415 4.654 226 HB2 TRP 35 1HB TRP 35 -7.050 -1.409 2.369 227 HB3 TRP 35 2HB TRP 35 -5.662 -0.338 2.206 228 HD1 TRP 35 HD TRP 35 -6.421 -3.929 3.462 229 HE1 TRP 35 1HE TRP 35 -4.357 -5.388 2.977 230 HE3 TRP 35 3HE TRP 35 -3.307 -0.333 1.589 231 HZ2 TRP 35 2HZ TRP 35 -1.753 -5.058 1.939 232 HZ3 TRP 35 3HZ TRP 35 -1.046 -0.988 0.872 233 HH2 TRP 35 HH TRP 35 -0.287 -3.302 1.045 234 H ALA 36 H ALA 36 -8.627 -0.388 5.182 235 HA ALA 36 HA ALA 36 -9.174 2.188 3.982 236 HB1 ALA 36 1HB ALA 36 -11.363 1.781 4.405 237 HB2 ALA 36 2HB ALA 36 -10.779 0.118 4.492 238 HB3 ALA 36 3HB ALA 36 -11.040 1.042 5.972 239 H ASP 37 H ASP 37 -7.019 2.335 5.737 240 HA ASP 37 HA ASP 37 -8.144 4.053 7.842 241 HB2 ASP 37 1HB ASP 37 -7.452 2.354 9.220 242 HB3 ASP 37 2HB ASP 37 -6.199 1.816 8.106 243 H GLY 38 H GLY 38 -5.542 3.355 5.607 244 HA2 GLY 38 1HA GLY 38 -4.612 5.308 4.438 245 HA3 GLY 38 2HA GLY 38 -4.573 6.120 5.996 246 H LEU 39 H LEU 39 -3.313 4.685 7.702 247 HA LEU 39 HA LEU 39 -0.646 4.832 7.174 248 HB2 LEU 39 1HB LEU 39 -2.262 3.220 9.073 249 HB3 LEU 39 2HB LEU 39 -0.555 2.818 8.903 250 HG LEU 39 HG LEU 39 -1.549 5.574 9.606 251 HD11 LEU 39 1HD1 LEU 39 -0.546 3.434 11.475 252 HD12 LEU 39 2HD1 LEU 39 -2.232 3.920 11.307 253 HD13 LEU 39 3HD1 LEU 39 -1.038 5.072 11.907 254 HD21 LEU 39 1HD2 LEU 39 0.761 5.200 8.592 255 HD22 LEU 39 2HD2 LEU 39 1.160 4.375 10.099 256 HD23 LEU 39 3HD2 LEU 39 0.683 6.073 10.122 257 H ALA 40 H ALA 40 -2.630 1.888 6.882 258 HA ALA 40 HA ALA 40 -0.929 -0.026 6.153 259 HB1 ALA 40 1HB ALA 40 -3.631 0.678 5.199 260 HB2 ALA 40 2HB ALA 40 -2.735 -0.481 4.217 261 HB3 ALA 40 3HB ALA 40 -3.033 -0.814 5.924 262 H LEU 41 H LEU 41 -2.107 2.415 3.835 263 HA LEU 41 HA LEU 41 -0.410 1.563 1.727 264 HB2 LEU 41 1HB LEU 41 -2.145 3.920 2.250 265 HB3 LEU 41 2HB LEU 41 -0.951 4.033 0.959 266 HG LEU 41 HG LEU 41 -3.068 1.891 1.116 267 HD11 LEU 41 1HD1 LEU 41 -3.236 4.663 0.277 268 HD12 LEU 41 2HD1 LEU 41 -4.514 3.474 0.519 269 HD13 LEU 41 3HD1 LEU 41 -3.653 3.542 -1.018 270 HD21 LEU 41 1HD2 LEU 41 -0.771 1.788 -0.253 271 HD22 LEU 41 2HD2 LEU 41 -1.751 2.688 -1.411 272 HD23 LEU 41 3HD2 LEU 41 -2.279 1.100 -0.854 273 H CYS 42 H CYS 42 -0.147 4.069 4.200 274 HA CYS 42 HA CYS 42 2.103 5.405 3.271 275 HB2 CYS 42 1HB CYS 42 1.508 4.841 6.179 276 HB3 CYS 42 2HB CYS 42 2.404 6.204 5.518 277 HG CYS 42 HG CYS 42 -0.730 5.961 4.368 278 H ALA 43 H ALA 43 1.995 2.716 5.611 279 HA ALA 43 HA ALA 43 4.703 2.359 5.987 280 HB1 ALA 43 1HB ALA 43 2.305 0.725 6.326 281 HB2 ALA 43 2HB ALA 43 3.775 -0.213 6.055 282 HB3 ALA 43 3HB ALA 43 3.696 0.937 7.391 283 H LEU 44 H LEU 44 2.659 0.708 3.576 284 HA LEU 44 HA LEU 44 4.616 -0.792 2.326 285 HB2 LEU 44 1HB LEU 44 2.362 -1.193 1.763 286 HB3 LEU 44 2HB LEU 44 2.106 0.482 1.278 287 HG LEU 44 HG LEU 44 3.825 -0.062 -0.591 288 HD11 LEU 44 1HD1 LEU 44 2.813 -2.800 -0.624 289 HD12 LEU 44 2HD1 LEU 44 3.929 -2.471 0.702 290 HD13 LEU 44 3HD1 LEU 44 4.429 -2.180 -0.964 291 HD21 LEU 44 1HD2 LEU 44 2.053 -0.110 -1.962 292 HD22 LEU 44 2HD2 LEU 44 1.104 0.060 -0.486 293 HD23 LEU 44 3HD2 LEU 44 1.367 -1.537 -1.186 294 H VAL 45 H VAL 45 3.537 2.501 1.512 295 HA VAL 45 HA VAL 45 5.321 2.897 -0.628 296 HB VAL 45 HB VAL 45 4.076 4.953 1.203 297 HG11 VAL 45 1HG1 VAL 45 4.609 6.602 -0.407 298 HG12 VAL 45 2HG1 VAL 45 6.094 5.688 -0.132 299 HG13 VAL 45 3HG1 VAL 45 5.130 5.393 -1.579 300 HG21 VAL 45 1HG2 VAL 45 3.021 3.303 -0.931 301 HG22 VAL 45 2HG2 VAL 45 2.172 4.336 0.220 302 HG23 VAL 45 3HG2 VAL 45 2.822 5.022 -1.268 303 H TYR 46 H TYR 46 5.503 4.407 2.601 304 HA TYR 46 HA TYR 46 7.980 5.489 2.510 305 HB2 TYR 46 1HB TYR 46 6.528 4.137 4.765 306 HB3 TYR 46 2HB TYR 46 8.130 4.819 5.014 307 HD1 TYR 46 1HD TYR 46 8.327 7.316 3.952 308 HD2 TYR 46 2HD TYR 46 4.765 5.479 5.376 309 HE1 TYR 46 1HE TYR 46 7.332 9.537 4.307 310 HE2 TYR 46 2HE TYR 46 3.758 7.694 5.734 311 HH TYR 46 HH TYR 46 4.234 9.926 5.907 312 H ARG 47 H ARG 47 7.332 2.153 3.589 313 HA ARG 47 HA ARG 47 9.933 1.323 3.986 314 HB2 ARG 47 1HB ARG 47 8.056 -0.059 4.631 315 HB3 ARG 47 2HB ARG 47 7.573 -0.254 2.951 316 HG2 ARG 47 1HG ARG 47 8.638 -2.236 3.290 317 HG3 ARG 47 2HG ARG 47 9.994 -1.260 2.721 318 HD2 ARG 47 1HD ARG 47 9.392 -1.354 5.640 319 HD3 ARG 47 2HD ARG 47 10.205 -2.726 4.887 320 HE ARG 47 HE ARG 47 11.390 -0.156 4.318 321 HH11 ARG 47 2HH1 ARG 47 11.337 -2.921 6.433 322 HH12 ARG 47 1HH1 ARG 47 12.947 -2.664 7.022 323 HH21 ARG 47 2HH2 ARG 47 13.509 0.193 5.086 324 HH22 ARG 47 1HH2 ARG 47 14.181 -0.892 6.256 325 H LEU 48 H LEU 48 8.021 0.788 1.018 326 HA LEU 48 HA LEU 48 9.811 -0.359 -0.626 327 HB2 LEU 48 1HB LEU 48 7.712 1.689 -1.084 328 HB3 LEU 48 2HB LEU 48 8.815 1.334 -2.412 329 HG LEU 48 HG LEU 48 7.206 -0.793 -1.014 330 HD11 LEU 48 1HD1 LEU 48 6.468 1.019 -3.279 331 HD12 LEU 48 2HD1 LEU 48 5.514 0.541 -1.876 332 HD13 LEU 48 3HD1 LEU 48 5.812 -0.615 -3.174 333 HD21 LEU 48 1HD2 LEU 48 7.598 -1.803 -3.383 334 HD22 LEU 48 2HD2 LEU 48 8.884 -1.865 -2.178 335 HD23 LEU 48 3HD2 LEU 48 8.928 -0.645 -3.451 336 H GLN 49 H GLN 49 9.751 3.071 0.225 337 HA GLN 49 HA GLN 49 12.470 3.304 -0.877 338 HB2 GLN 49 1HB GLN 49 10.091 5.033 -1.317 339 HB3 GLN 49 2HB GLN 49 11.648 5.833 -1.140 340 HG2 GLN 49 1HG GLN 49 12.549 4.545 -2.985 341 HG3 GLN 49 2HG GLN 49 11.027 3.669 -3.139 342 HE21 GLN 49 1HE2 GLN 49 12.075 7.056 -2.904 343 HE22 GLN 49 2HE2 GLN 49 11.108 7.623 -4.217 344 HA PRO 50 HA PRO 50 12.902 4.378 3.501 345 HB2 PRO 50 1HB PRO 50 15.582 3.944 3.558 346 HB3 PRO 50 2HB PRO 50 14.395 2.640 3.688 347 HG2 PRO 50 1HG PRO 50 15.954 3.551 1.300 348 HG3 PRO 50 2HG PRO 50 15.609 1.901 1.848 349 HD2 PRO 50 1HD PRO 50 14.229 3.087 -0.156 350 HD3 PRO 50 2HD PRO 50 13.489 1.908 0.946 351 H GLY 51 H GLY 51 14.294 5.701 0.635 352 HA2 GLY 51 1HA GLY 51 15.838 7.764 1.856 353 HA3 GLY 51 2HA GLY 51 15.326 7.707 0.176 354 H LEU 52 H LEU 52 12.576 7.686 0.452 355 HA LEU 52 HA LEU 52 11.943 10.368 0.632 356 HB2 LEU 52 1HB LEU 52 10.293 7.879 0.868 357 HB3 LEU 52 2HB LEU 52 9.555 9.471 1.043 358 HG LEU 52 HG LEU 52 11.182 8.950 -1.391 359 HD11 LEU 52 1HD1 LEU 52 8.683 8.216 -2.199 360 HD12 LEU 52 2HD1 LEU 52 8.810 7.421 -0.631 361 HD13 LEU 52 3HD1 LEU 52 10.015 7.107 -1.880 362 HD21 LEU 52 1HD2 LEU 52 10.364 11.069 -1.494 363 HD22 LEU 52 2HD2 LEU 52 8.945 10.690 -0.520 364 HD23 LEU 52 3HD2 LEU 52 9.000 10.218 -2.219 365 H LEU 53 H LEU 53 10.632 11.536 2.179 366 HA LEU 53 HA LEU 53 11.648 11.597 4.737 367 HB2 LEU 53 1HB LEU 53 9.867 13.063 5.312 368 HB3 LEU 53 2HB LEU 53 10.304 13.375 3.634 369 HG LEU 53 HG LEU 53 8.017 13.454 3.516 370 HD11 LEU 53 1HD1 LEU 53 8.772 11.805 1.920 371 HD12 LEU 53 2HD1 LEU 53 7.197 11.338 2.558 372 HD13 LEU 53 3HD1 LEU 53 8.654 10.532 3.135 373 HD21 LEU 53 1HD2 LEU 53 7.781 11.131 5.423 374 HD22 LEU 53 2HD2 LEU 53 6.483 12.168 4.829 375 HD23 LEU 53 3HD2 LEU 53 7.714 12.826 5.909 376 H GLU 54 H GLU 54 10.005 11.453 6.729 377 HA GLU 54 HA GLU 54 8.953 8.701 6.700 378 HB2 GLU 54 1HB GLU 54 10.442 10.262 8.769 379 HB3 GLU 54 2HB GLU 54 9.303 9.029 9.292 380 HG2 GLU 54 1HG GLU 54 10.506 7.347 8.020 381 HG3 GLU 54 2HG GLU 54 11.628 8.574 7.435 382 HA PRO 55 HA PRO 55 4.951 10.102 7.819 383 HB2 PRO 55 1HB PRO 55 4.144 8.201 9.582 384 HB3 PRO 55 2HB PRO 55 4.295 7.900 7.846 385 HG2 PRO 55 1HG PRO 55 6.196 7.226 10.058 386 HG3 PRO 55 2HG PRO 55 5.700 6.240 8.670 387 HD2 PRO 55 1HD PRO 55 8.050 7.583 8.738 388 HD3 PRO 55 2HD PRO 55 7.149 7.310 7.233 389 H SER 56 H SER 56 7.473 10.498 9.811 390 HA SER 56 HA SER 56 6.886 10.734 12.384 391 HB2 SER 56 1HB SER 56 8.088 12.879 10.629 392 HB3 SER 56 2HB SER 56 8.046 12.999 12.389 393 HG SER 56 HG SER 56 9.978 12.008 11.275 394 H GLU 57 H GLU 57 5.427 12.717 9.871 395 HA GLU 57 HA GLU 57 3.877 14.224 11.814 396 HB2 GLU 57 1HB GLU 57 3.791 14.334 8.796 397 HB3 GLU 57 2HB GLU 57 3.048 15.480 9.902 398 HG2 GLU 57 1HG GLU 57 4.984 16.547 9.192 399 HG3 GLU 57 2HG GLU 57 5.410 15.899 10.774 400 H LEU 58 H LEU 58 3.369 11.823 9.271 401 HA LEU 58 HA LEU 58 0.599 11.728 9.251 402 HB2 LEU 58 1HB LEU 58 2.757 9.766 8.666 403 HB3 LEU 58 2HB LEU 58 1.100 9.175 8.781 404 HG LEU 58 HG LEU 58 0.483 10.845 7.012 405 HD11 LEU 58 1HD1 LEU 58 2.725 11.354 5.635 406 HD12 LEU 58 2HD1 LEU 58 3.364 11.426 7.276 407 HD13 LEU 58 3HD1 LEU 58 2.029 12.476 6.804 408 HD21 LEU 58 1HD2 LEU 58 0.600 9.006 5.775 409 HD22 LEU 58 2HD2 LEU 58 1.901 8.361 6.777 410 HD23 LEU 58 3HD2 LEU 58 2.277 9.408 5.407 411 H GLN 59 H GLN 59 2.793 10.726 11.697 412 HA GLN 59 HA GLN 59 1.366 8.725 12.997 413 HB2 GLN 59 1HB GLN 59 3.230 10.851 14.037 414 HB3 GLN 59 2HB GLN 59 2.536 9.621 15.085 415 HG2 GLN 59 1HG GLN 59 3.510 7.934 13.420 416 HG3 GLN 59 2HG GLN 59 4.472 9.288 12.828 417 HE21 GLN 59 1HE2 GLN 59 5.008 6.718 14.396 418 HE22 GLN 59 2HE2 GLN 59 6.009 7.244 15.701 419 H GLY 60 H GLY 60 1.049 12.237 13.197 420 HA2 GLY 60 1HA GLY 60 -1.313 11.853 14.928 421 HA3 GLY 60 2HA GLY 60 -0.325 13.306 14.909 422 H LEU 61 H LEU 61 -1.688 11.418 12.226 423 HA LEU 61 HA LEU 61 -3.116 13.852 11.378 424 HB2 LEU 61 1HB LEU 61 -1.564 11.814 9.873 425 HB3 LEU 61 2HB LEU 61 -2.974 12.522 9.088 426 HG LEU 61 HG LEU 61 -0.666 14.125 10.184 427 HD11 LEU 61 1HD1 LEU 61 -0.754 12.506 7.866 428 HD12 LEU 61 2HD1 LEU 61 0.499 13.641 8.365 429 HD13 LEU 61 3HD1 LEU 61 -0.831 14.189 7.345 430 HD21 LEU 61 1HD2 LEU 61 -3.101 15.052 9.791 431 HD22 LEU 61 2HD2 LEU 61 -2.574 15.079 8.108 432 HD23 LEU 61 3HD2 LEU 61 -1.680 15.988 9.328 433 H GLY 62 H GLY 62 -4.883 13.113 9.640 434 HA2 GLY 62 1HA GLY 62 -6.695 11.415 11.154 435 HA3 GLY 62 2HA GLY 62 -7.106 12.394 9.753 436 H ALA 63 H ALA 63 -7.887 9.677 10.231 437 HA ALA 63 HA ALA 63 -6.455 7.679 9.057 438 HB1 ALA 63 1HB ALA 63 -9.240 7.684 8.169 439 HB2 ALA 63 2HB ALA 63 -8.361 6.509 9.149 440 HB3 ALA 63 3HB ALA 63 -9.037 7.955 9.900 441 H LEU 64 H LEU 64 -8.291 10.211 7.414 442 HA LEU 64 HA LEU 64 -7.711 9.145 4.794 443 HB2 LEU 64 1HB LEU 64 -9.738 10.608 5.672 444 HB3 LEU 64 2HB LEU 64 -8.678 11.929 5.182 445 HG LEU 64 HG LEU 64 -8.638 11.052 2.899 446 HD11 LEU 64 1HD1 LEU 64 -10.845 9.234 3.074 447 HD12 LEU 64 2HD1 LEU 64 -9.531 8.688 4.116 448 HD13 LEU 64 3HD1 LEU 64 -9.235 8.977 2.402 449 HD21 LEU 64 1HD2 LEU 64 -11.535 11.104 3.475 450 HD22 LEU 64 2HD2 LEU 64 -10.586 12.048 2.326 451 HD23 LEU 64 3HD2 LEU 64 -10.595 12.487 4.035 452 H GLU 65 H GLU 65 -6.762 12.031 6.649 453 HA GLU 65 HA GLU 65 -5.144 13.338 4.916 454 HB2 GLU 65 1HB GLU 65 -4.488 12.777 7.814 455 HB3 GLU 65 2HB GLU 65 -3.796 14.067 6.839 456 HG2 GLU 65 1HG GLU 65 -6.654 13.778 7.722 457 HG3 GLU 65 2HG GLU 65 -5.490 15.000 8.227 458 H ALA 66 H ALA 66 -4.345 10.389 6.680 459 HA ALA 66 HA ALA 66 -1.626 10.261 5.923 460 HB1 ALA 66 1HB ALA 66 -2.958 8.945 7.742 461 HB2 ALA 66 2HB ALA 66 -3.215 7.787 6.436 462 HB3 ALA 66 3HB ALA 66 -1.575 8.198 6.942 463 H THR 67 H THR 67 -4.488 8.580 4.622 464 HA THR 67 HA THR 67 -3.280 7.167 2.583 465 HB THR 67 HB THR 67 -5.962 8.485 2.210 466 HG1 THR 67 1HG THR 67 -6.170 7.618 4.219 467 HG21 THR 67 1HG2 THR 67 -5.039 5.707 1.485 468 HG22 THR 67 2HG2 THR 67 -4.918 7.086 0.391 469 HG23 THR 67 3HG2 THR 67 -6.499 6.537 0.947 470 H ALA 68 H ALA 68 -4.275 10.547 2.641 471 HA ALA 68 HA ALA 68 -4.083 11.218 -0.026 472 HB1 ALA 68 1HB ALA 68 -3.292 12.855 2.379 473 HB2 ALA 68 2HB ALA 68 -3.506 13.499 0.750 474 HB3 ALA 68 3HB ALA 68 -4.878 12.795 1.608 475 H TRP 69 H TRP 69 -1.458 11.452 2.383 476 HA TRP 69 HA TRP 69 0.574 12.187 0.637 477 HB2 TRP 69 1HB TRP 69 0.902 12.312 3.023 478 HB3 TRP 69 2HB TRP 69 0.702 10.570 3.188 479 HD1 TRP 69 HD TRP 69 3.250 13.206 2.128 480 HE1 TRP 69 1HE TRP 69 5.566 12.096 1.949 481 HE3 TRP 69 3HE TRP 69 1.855 8.322 2.715 482 HZ2 TRP 69 2HZ TRP 69 6.655 9.493 2.042 483 HZ3 TRP 69 3HZ TRP 69 3.595 6.584 2.657 484 HH2 TRP 69 HH TRP 69 5.944 7.159 2.328 485 H ALA 70 H ALA 70 -0.018 8.901 1.905 486 HA ALA 70 HA ALA 70 1.765 7.424 0.537 487 HB1 ALA 70 1HB ALA 70 -1.076 6.483 0.576 488 HB2 ALA 70 2HB ALA 70 0.408 5.566 0.839 489 HB3 ALA 70 3HB ALA 70 -0.171 6.681 2.076 490 H LEU 71 H LEU 71 -1.461 8.191 -0.789 491 HA LEU 71 HA LEU 71 -1.022 7.141 -3.338 492 HB2 LEU 71 1HB LEU 71 -2.851 9.289 -2.312 493 HB3 LEU 71 2HB LEU 71 -2.833 8.823 -4.012 494 HG LEU 71 HG LEU 71 -3.240 6.708 -1.950 495 HD11 LEU 71 1HD1 LEU 71 -5.500 7.165 -1.639 496 HD12 LEU 71 2HD1 LEU 71 -5.553 8.313 -2.975 497 HD13 LEU 71 3HD1 LEU 71 -4.732 8.744 -1.475 498 HD21 LEU 71 1HD2 LEU 71 -4.984 6.487 -4.135 499 HD22 LEU 71 2HD2 LEU 71 -3.533 5.538 -3.815 500 HD23 LEU 71 3HD2 LEU 71 -3.433 6.997 -4.800 501 H LYS 72 H LYS 72 -0.066 10.172 -1.926 502 HA LYS 72 HA LYS 72 0.543 11.478 -4.402 503 HB2 LYS 72 1HB LYS 72 0.042 12.553 -2.110 504 HB3 LYS 72 2HB LYS 72 1.724 12.206 -1.733 505 HG2 LYS 72 1HG LYS 72 2.119 13.441 -4.037 506 HG3 LYS 72 2HG LYS 72 0.567 14.174 -3.625 507 HD2 LYS 72 1HD LYS 72 2.681 14.055 -1.531 508 HD3 LYS 72 2HD LYS 72 2.853 15.236 -2.830 509 HE2 LYS 72 1HE LYS 72 0.342 15.756 -2.236 510 HE3 LYS 72 2HE LYS 72 0.791 15.045 -0.686 511 HZ1 LYS 72 1HZ LYS 72 2.017 16.818 -0.145 512 HZ2 LYS 72 2HZ LYS 72 1.142 17.626 -1.346 513 HZ3 LYS 72 3HZ LYS 72 2.670 16.990 -1.696 514 H VAL 73 H VAL 73 2.710 10.472 -1.749 515 HA VAL 73 HA VAL 73 5.093 10.658 -3.143 516 HB VAL 73 HB VAL 73 4.298 8.863 -0.859 517 HG11 VAL 73 1HG1 VAL 73 6.036 7.594 -1.636 518 HG12 VAL 73 2HG1 VAL 73 6.844 8.966 -2.398 519 HG13 VAL 73 3HG1 VAL 73 6.923 8.754 -0.648 520 HG21 VAL 73 1HG2 VAL 73 5.674 11.497 -1.153 521 HG22 VAL 73 2HG2 VAL 73 4.388 11.019 -0.044 522 HG23 VAL 73 3HG2 VAL 73 6.041 10.470 0.234 523 H ALA 74 H ALA 74 2.656 8.185 -3.261 524 HA ALA 74 HA ALA 74 4.309 6.207 -4.522 525 HB1 ALA 74 1HB ALA 74 1.349 6.443 -4.070 526 HB2 ALA 74 2HB ALA 74 2.061 5.113 -4.985 527 HB3 ALA 74 3HB ALA 74 2.497 5.352 -3.294 528 H GLU 75 H GLU 75 2.138 8.748 -5.587 529 HA GLU 75 HA GLU 75 2.241 7.886 -8.352 530 HB2 GLU 75 1HB GLU 75 0.180 8.873 -7.478 531 HB3 GLU 75 2HB GLU 75 1.039 10.356 -7.090 532 HG2 GLU 75 1HG GLU 75 0.914 9.302 -9.891 533 HG3 GLU 75 2HG GLU 75 -0.367 10.307 -9.216 534 H ASN 76 H ASN 76 4.010 9.934 -6.255 535 HA ASN 76 HA ASN 76 5.162 11.489 -8.434 536 HB2 ASN 76 1HB ASN 76 5.412 11.602 -5.435 537 HB3 ASN 76 2HB ASN 76 6.499 12.509 -6.483 538 HD21 ASN 76 1HD2 ASN 76 4.247 13.189 -4.546 539 HD22 ASN 76 2HD2 ASN 76 3.278 14.314 -5.429 540 H GLU 77 H GLU 77 6.505 9.632 -5.696 541 HA GLU 77 HA GLU 77 9.034 9.305 -6.976 542 HB2 GLU 77 1HB GLU 77 7.778 8.384 -4.443 543 HB3 GLU 77 2HB GLU 77 9.157 7.470 -5.037 544 HG2 GLU 77 1HG GLU 77 9.040 10.347 -4.213 545 HG3 GLU 77 2HG GLU 77 10.046 9.054 -3.564 546 H LEU 78 H LEU 78 6.807 6.760 -5.850 547 HA LEU 78 HA LEU 78 7.885 4.757 -7.494 548 HB2 LEU 78 1HB LEU 78 5.044 4.771 -6.533 549 HB3 LEU 78 2HB LEU 78 6.111 3.391 -6.787 550 HG LEU 78 HG LEU 78 6.353 5.429 -4.573 551 HD11 LEU 78 1HD1 LEU 78 4.426 3.776 -4.493 552 HD12 LEU 78 2HD1 LEU 78 5.518 3.795 -3.109 553 HD13 LEU 78 3HD1 LEU 78 5.653 2.520 -4.320 554 HD21 LEU 78 1HD2 LEU 78 7.821 2.867 -4.508 555 HD22 LEU 78 2HD2 LEU 78 8.291 4.463 -3.924 556 HD23 LEU 78 3HD2 LEU 78 8.410 4.082 -5.643 557 H GLY 79 H GLY 79 5.460 7.187 -8.076 558 HA2 GLY 79 1HA GLY 79 4.568 7.894 -10.088 559 HA3 GLY 79 2HA GLY 79 5.528 6.664 -10.897 560 H ILE 80 H ILE 80 3.755 5.311 -8.396 561 HA ILE 80 HA ILE 80 2.112 3.827 -10.182 562 HB ILE 80 HB ILE 80 1.935 4.041 -7.175 563 HG12 ILE 80 1HG1 ILE 80 4.128 3.241 -7.952 564 HG13 ILE 80 2HG1 ILE 80 3.225 1.957 -7.154 565 HG21 ILE 80 1HG2 ILE 80 0.087 2.826 -7.354 566 HG22 ILE 80 2HG2 ILE 80 0.268 2.731 -9.105 567 HG23 ILE 80 3HG2 ILE 80 1.051 1.535 -8.071 568 HD11 ILE 80 1HD1 ILE 80 4.247 1.008 -9.058 569 HD12 ILE 80 2HD1 ILE 80 2.534 1.181 -9.441 570 HD13 ILE 80 3HD1 ILE 80 3.703 2.327 -10.094 571 H THR 81 H THR 81 0.973 5.529 -11.278 572 HA THR 81 HA THR 81 -0.547 7.546 -10.407 573 HB THR 81 HB THR 81 -1.626 5.499 -12.352 574 HG1 THR 81 1HG THR 81 -0.551 6.892 -13.909 575 HG21 THR 81 1HG2 THR 81 -2.100 8.476 -12.177 576 HG22 THR 81 2HG2 THR 81 -3.220 7.245 -11.596 577 HG23 THR 81 3HG2 THR 81 -2.842 7.353 -13.315 578 HA PRO 82 HA PRO 82 -3.394 5.957 -7.422 579 HB2 PRO 82 1HB PRO 82 -5.044 8.111 -7.315 580 HB3 PRO 82 2HB PRO 82 -3.441 8.090 -6.571 581 HG2 PRO 82 1HG PRO 82 -4.299 9.258 -9.189 582 HG3 PRO 82 2HG PRO 82 -3.220 9.942 -7.960 583 HD2 PRO 82 1HD PRO 82 -2.296 8.754 -10.210 584 HD3 PRO 82 2HD PRO 82 -1.415 8.696 -8.670 585 H VAL 83 H VAL 83 -4.537 4.295 -8.322 586 HA VAL 83 HA VAL 83 -6.424 4.712 -10.453 587 HB VAL 83 HB VAL 83 -5.043 2.569 -9.913 588 HG11 VAL 83 1HG1 VAL 83 -7.475 1.643 -8.492 589 HG12 VAL 83 2HG1 VAL 83 -5.803 1.098 -8.353 590 HG13 VAL 83 3HG1 VAL 83 -6.309 2.598 -7.577 591 HG21 VAL 83 1HG2 VAL 83 -6.239 1.841 -11.635 592 HG22 VAL 83 2HG2 VAL 83 -7.588 1.475 -10.558 593 HG23 VAL 83 3HG2 VAL 83 -7.464 3.067 -11.304 594 H VAL 84 H VAL 84 -6.519 4.532 -6.978 595 HA VAL 84 HA VAL 84 -9.454 4.806 -7.074 596 HB VAL 84 HB VAL 84 -7.740 3.535 -4.938 597 HG11 VAL 84 1HG1 VAL 84 -9.756 3.206 -3.648 598 HG12 VAL 84 2HG1 VAL 84 -9.532 4.928 -3.961 599 HG13 VAL 84 3HG1 VAL 84 -10.718 4.008 -4.889 600 HG21 VAL 84 1HG2 VAL 84 -8.088 1.899 -6.531 601 HG22 VAL 84 2HG2 VAL 84 -9.461 1.649 -5.453 602 HG23 VAL 84 3HG2 VAL 84 -9.680 2.518 -6.971 603 H SER 85 H SER 85 -10.426 6.311 -5.698 604 HA SER 85 HA SER 85 -8.797 8.607 -5.104 605 HB2 SER 85 1HB SER 85 -11.742 8.095 -4.622 606 HB3 SER 85 2HB SER 85 -10.937 9.650 -4.417 607 HG SER 85 HG SER 85 -11.504 9.867 -6.443 608 H ALA 86 H ALA 86 -7.907 9.131 -3.219 609 HA ALA 86 HA ALA 86 -7.442 7.583 -1.104 610 HB1 ALA 86 1HB ALA 86 -7.428 10.411 -1.550 611 HB2 ALA 86 2HB ALA 86 -7.961 10.072 0.098 612 HB3 ALA 86 3HB ALA 86 -6.415 9.446 -0.474 613 H GLN 87 H GLN 87 -10.389 9.516 -1.491 614 HA GLN 87 HA GLN 87 -11.546 8.898 0.992 615 HB2 GLN 87 1HB GLN 87 -12.252 10.689 -0.688 616 HB3 GLN 87 2HB GLN 87 -13.105 9.406 -1.536 617 HG2 GLN 87 1HG GLN 87 -14.522 9.011 0.347 618 HG3 GLN 87 2HG GLN 87 -13.579 10.114 1.347 619 HE21 GLN 87 1HE2 GLN 87 -16.451 9.973 0.278 620 HE22 GLN 87 2HE2 GLN 87 -16.740 11.576 -0.299 621 H ALA 88 H ALA 88 -12.190 7.472 -2.214 622 HA ALA 88 HA ALA 88 -13.989 5.525 -1.503 623 HB1 ALA 88 1HB ALA 88 -11.785 5.098 -3.512 624 HB2 ALA 88 2HB ALA 88 -13.389 4.363 -3.494 625 HB3 ALA 88 3HB ALA 88 -13.212 6.088 -3.819 626 H VAL 89 H VAL 89 -10.453 5.373 -1.321 627 HA VAL 89 HA VAL 89 -10.130 2.710 -0.625 628 HB VAL 89 HB VAL 89 -8.536 5.097 0.316 629 HG11 VAL 89 1HG1 VAL 89 -6.956 2.759 0.218 630 HG12 VAL 89 2HG1 VAL 89 -7.388 3.724 1.630 631 HG13 VAL 89 3HG1 VAL 89 -8.407 2.370 1.141 632 HG21 VAL 89 1HG2 VAL 89 -8.517 4.916 -2.076 633 HG22 VAL 89 2HG2 VAL 89 -6.961 4.352 -1.465 634 HG23 VAL 89 3HG2 VAL 89 -8.177 3.187 -1.989 635 H VAL 90 H VAL 90 -10.252 5.460 1.653 636 HA VAL 90 HA VAL 90 -10.466 3.850 3.960 637 HB VAL 90 HB VAL 90 -11.296 6.729 3.573 638 HG11 VAL 90 1HG1 VAL 90 -12.098 6.648 5.640 639 HG12 VAL 90 2HG1 VAL 90 -11.626 4.954 5.792 640 HG13 VAL 90 3HG1 VAL 90 -10.487 6.231 6.221 641 HG21 VAL 90 1HG2 VAL 90 -9.056 6.845 3.177 642 HG22 VAL 90 2HG2 VAL 90 -9.029 6.912 4.939 643 HG23 VAL 90 3HG2 VAL 90 -8.701 5.391 4.110 644 H ALA 91 H ALA 91 -12.946 5.830 2.326 645 HA ALA 91 HA ALA 91 -15.144 5.151 3.814 646 HB1 ALA 91 1HB ALA 91 -15.938 6.597 2.321 647 HB2 ALA 91 2HB ALA 91 -14.674 6.201 1.156 648 HB3 ALA 91 3HB ALA 91 -16.140 5.224 1.233 649 H GLY 92 H GLY 92 -13.301 3.105 1.776 650 HA2 GLY 92 1HA GLY 92 -13.501 0.888 1.219 651 HA3 GLY 92 2HA GLY 92 -14.589 0.759 2.594 652 H SER 93 H SER 93 -15.364 2.954 0.033 653 HA SER 93 HA SER 93 -17.820 1.570 -0.488 654 HB2 SER 93 1HB SER 93 -18.478 3.467 -1.621 655 HB3 SER 93 2HB SER 93 -17.226 4.154 -0.587 656 HG SER 93 HG SER 93 -15.771 3.789 -2.399 657 H ASP 94 H ASP 94 -14.801 2.103 -2.247 658 HA ASP 94 HA ASP 94 -15.709 0.160 -4.267 659 HB2 ASP 94 1HB ASP 94 -13.496 2.187 -4.613 660 HB3 ASP 94 2HB ASP 94 -14.264 1.208 -5.862 661 HA PRO 95 HA PRO 95 -12.450 -2.067 -1.934 662 HB2 PRO 95 1HB PRO 95 -13.555 -4.515 -2.326 663 HB3 PRO 95 2HB PRO 95 -14.058 -3.431 -1.023 664 HG2 PRO 95 1HG PRO 95 -15.340 -3.917 -3.685 665 HG3 PRO 95 2HG PRO 95 -16.099 -3.758 -2.090 666 HD2 PRO 95 1HD PRO 95 -16.039 -1.731 -3.884 667 HD3 PRO 95 2HD PRO 95 -15.994 -1.456 -2.130 668 H LEU 96 H LEU 96 -13.885 -2.679 -5.094 669 HA LEU 96 HA LEU 96 -11.939 -4.466 -6.066 670 HB2 LEU 96 1HB LEU 96 -13.859 -2.589 -7.405 671 HB3 LEU 96 2HB LEU 96 -12.735 -3.578 -8.334 672 HG LEU 96 HG LEU 96 -13.855 -5.511 -6.886 673 HD11 LEU 96 1HD1 LEU 96 -16.121 -3.559 -7.217 674 HD12 LEU 96 2HD1 LEU 96 -15.281 -3.827 -5.690 675 HD13 LEU 96 3HD1 LEU 96 -16.161 -5.150 -6.455 676 HD21 LEU 96 1HD2 LEU 96 -14.174 -6.046 -9.025 677 HD22 LEU 96 2HD2 LEU 96 -14.292 -4.355 -9.512 678 HD23 LEU 96 3HD2 LEU 96 -15.718 -5.201 -8.906 679 H GLY 97 H GLY 97 -12.233 -0.933 -6.368 680 HA2 GLY 97 1HA GLY 97 -10.055 -0.419 -7.988 681 HA3 GLY 97 2HA GLY 97 -10.637 0.675 -6.742 682 H LEU 98 H LEU 98 -10.047 -0.442 -4.420 683 HA LEU 98 HA LEU 98 -7.399 0.077 -3.962 684 HB2 LEU 98 1HB LEU 98 -8.913 -0.094 -2.137 685 HB3 LEU 98 2HB LEU 98 -9.273 -1.777 -2.514 686 HG LEU 98 HG LEU 98 -6.941 -2.358 -1.874 687 HD11 LEU 98 1HD1 LEU 98 -6.105 0.007 -2.273 688 HD12 LEU 98 2HD1 LEU 98 -5.509 -0.816 -0.832 689 HD13 LEU 98 3HD1 LEU 98 -6.781 0.398 -0.691 690 HD21 LEU 98 1HD2 LEU 98 -8.052 -0.968 0.493 691 HD22 LEU 98 2HD2 LEU 98 -7.521 -2.639 0.301 692 HD23 LEU 98 3HD2 LEU 98 -9.095 -2.137 -0.318 693 H ILE 99 H ILE 99 -8.781 -3.206 -4.192 694 HA ILE 99 HA ILE 99 -6.497 -4.697 -4.082 695 HB ILE 99 HB ILE 99 -8.880 -5.185 -5.871 696 HG12 ILE 99 1HG1 ILE 99 -8.253 -6.409 -3.184 697 HG13 ILE 99 2HG1 ILE 99 -9.238 -4.961 -3.363 698 HG21 ILE 99 1HG2 ILE 99 -6.599 -6.974 -5.070 699 HG22 ILE 99 2HG2 ILE 99 -8.132 -7.590 -5.685 700 HG23 ILE 99 3HG2 ILE 99 -7.131 -6.549 -6.697 701 HD11 ILE 99 1HD1 ILE 99 -10.656 -6.884 -3.132 702 HD12 ILE 99 2HD1 ILE 99 -10.799 -6.250 -4.772 703 HD13 ILE 99 3HD1 ILE 99 -9.836 -7.694 -4.467 704 H ALA 100 H ALA 100 -7.893 -3.213 -6.995 705 HA ALA 100 HA ALA 100 -5.871 -4.128 -8.758 706 HB1 ALA 100 1HB ALA 100 -8.037 -2.084 -8.911 707 HB2 ALA 100 2HB ALA 100 -6.783 -2.109 -10.153 708 HB3 ALA 100 3HB ALA 100 -7.785 -3.535 -9.883 709 H TYR 101 H TYR 101 -6.139 -1.383 -6.633 710 HA TYR 101 HA TYR 101 -4.100 0.201 -7.817 711 HB2 TYR 101 1HB TYR 101 -5.816 1.114 -6.285 712 HB3 TYR 101 2HB TYR 101 -5.091 0.211 -4.958 713 HD1 TYR 101 1HD TYR 101 -3.651 2.333 -7.682 714 HD2 TYR 101 2HD TYR 101 -4.049 1.661 -3.500 715 HE1 TYR 101 1HE TYR 101 -2.130 4.213 -7.242 716 HE2 TYR 101 2HE TYR 101 -2.530 3.541 -3.048 717 HH TYR 101 HH TYR 101 -0.479 4.762 -5.015 718 H LEU 102 H LEU 102 -4.108 -1.890 -4.930 719 HA LEU 102 HA LEU 102 -1.426 -1.636 -4.260 720 HB2 LEU 102 1HB LEU 102 -3.279 -3.988 -3.931 721 HB3 LEU 102 2HB LEU 102 -1.693 -3.867 -3.173 722 HG LEU 102 HG LEU 102 -4.096 -2.126 -2.636 723 HD11 LEU 102 1HD1 LEU 102 -4.483 -3.375 -0.820 724 HD12 LEU 102 2HD1 LEU 102 -2.767 -3.550 -0.453 725 HD13 LEU 102 3HD1 LEU 102 -3.523 -4.600 -1.650 726 HD21 LEU 102 1HD2 LEU 102 -2.217 -0.696 -2.487 727 HD22 LEU 102 2HD2 LEU 102 -1.250 -1.929 -1.679 728 HD23 LEU 102 3HD2 LEU 102 -2.604 -1.176 -0.835 729 H SER 103 H SER 103 -2.987 -3.867 -6.516 730 HA SER 103 HA SER 103 -0.940 -5.590 -7.105 731 HB2 SER 103 1HB SER 103 -2.119 -6.163 -9.006 732 HB3 SER 103 2HB SER 103 -3.378 -5.322 -8.101 733 HG SER 103 HG SER 103 -3.437 -3.875 -9.614 734 H HIS 104 H HIS 104 -1.387 -2.291 -8.263 735 HA HIS 104 HA HIS 104 0.609 -2.232 -10.213 736 HB2 HIS 104 1HB HIS 104 -0.566 -0.100 -8.442 737 HB3 HIS 104 2HB HIS 104 0.695 0.272 -9.613 738 HD1 HIS 104 1HD HIS 104 -0.857 1.730 -11.044 739 HD2 HIS 104 2HD HIS 104 -2.172 -2.186 -10.603 740 HE1 HIS 104 1HE HIS 104 -2.703 1.447 -12.728 741 HE2 HIS 104 2HE HIS 104 -3.541 -0.904 -12.384 742 H PHE 105 H PHE 105 0.797 -1.498 -6.744 743 HA PHE 105 HA PHE 105 3.454 -0.696 -6.628 744 HB2 PHE 105 1HB PHE 105 1.621 -2.002 -4.640 745 HB3 PHE 105 2HB PHE 105 3.303 -1.690 -4.227 746 HD1 PHE 105 1HD PHE 105 0.134 -0.092 -5.246 747 HD2 PHE 105 2HD PHE 105 4.035 0.468 -3.639 748 HE1 PHE 105 1HE PHE 105 -0.449 2.222 -4.647 749 HE2 PHE 105 2HE PHE 105 3.460 2.782 -3.036 750 HZ PHE 105 HZ PHE 105 1.214 3.662 -3.539 751 H HIS 106 H HIS 106 2.180 -3.949 -5.897 752 HA HIS 106 HA HIS 106 4.659 -5.216 -5.661 753 HB2 HIS 106 1HB HIS 106 2.459 -6.162 -4.938 754 HB3 HIS 106 2HB HIS 106 2.087 -6.479 -6.630 755 HD1 HIS 106 1HD HIS 106 2.196 -8.956 -6.791 756 HD2 HIS 106 2HD HIS 106 5.456 -7.377 -4.757 757 HE1 HIS 106 1HE HIS 106 3.738 -10.900 -6.378 758 HE2 HIS 106 2HE HIS 106 5.662 -9.936 -5.071 759 H SER 107 H SER 107 2.441 -5.212 -8.456 760 HA SER 107 HA SER 107 3.856 -6.644 -10.271 761 HB2 SER 107 1HB SER 107 2.215 -4.146 -10.645 762 HB3 SER 107 2HB SER 107 2.924 -4.998 -12.017 763 HG SER 107 HG SER 107 1.670 -6.738 -11.598 764 H ALA 108 H ALA 108 4.691 -3.541 -8.987 765 HA ALA 108 HA ALA 108 6.831 -3.198 -10.959 766 HB1 ALA 108 1HB ALA 108 5.848 -1.301 -8.831 767 HB2 ALA 108 2HB ALA 108 7.073 -0.948 -10.050 768 HB3 ALA 108 3HB ALA 108 5.408 -1.260 -10.539 769 H PHE 109 H PHE 109 6.256 -3.980 -7.626 770 HA PHE 109 HA PHE 109 9.166 -4.096 -7.175 771 HB2 PHE 109 1HB PHE 109 6.920 -3.483 -5.258 772 HB3 PHE 109 2HB PHE 109 8.528 -3.941 -4.708 773 HD1 PHE 109 2HD PHE 109 10.465 -2.484 -5.225 774 HD2 PHE 109 1HD PHE 109 6.461 -1.306 -6.054 775 HE1 PHE 109 2HE PHE 109 11.198 -0.142 -5.415 776 HE2 PHE 109 1HE PHE 109 7.186 1.038 -6.246 777 HZ PHE 109 HZ PHE 109 9.557 1.622 -5.926 778 H LYS 110 H LYS 110 7.842 -6.189 -8.436 779 HA LYS 110 HA LYS 110 7.722 -8.248 -6.333 780 HB2 LYS 110 1HB LYS 110 6.245 -9.515 -7.698 781 HB3 LYS 110 2HB LYS 110 5.640 -7.865 -7.709 782 HG2 LYS 110 1HG LYS 110 6.175 -7.532 -9.906 783 HG3 LYS 110 2HG LYS 110 7.488 -8.712 -9.878 784 HD2 LYS 110 1HD LYS 110 5.960 -10.535 -9.940 785 HD3 LYS 110 2HD LYS 110 4.581 -9.471 -9.652 786 HE2 LYS 110 1HE LYS 110 4.486 -9.908 -11.942 787 HE3 LYS 110 2HE LYS 110 5.261 -8.326 -11.845 788 HZ1 LYS 110 1HZ LYS 110 7.058 -9.122 -12.840 789 HZ2 LYS 110 2HZ LYS 110 6.221 -10.564 -13.128 790 HZ3 LYS 110 3HZ LYS 110 7.188 -10.409 -11.749 791 H SER 111 H SER 111 8.413 -10.453 -7.109 792 HA SER 111 HA SER 111 10.136 -10.762 -9.318 793 HB2 SER 111 1HB SER 111 11.733 -9.380 -8.236 794 HB3 SER 111 2HB SER 111 11.442 -10.137 -6.671 795 HG SER 111 HG SER 111 12.730 -11.259 -8.931 796 H GLY 112 H GLY 112 11.005 -12.885 -9.479 797 HA2 GLY 112 1HA GLY 112 11.141 -15.143 -9.032 798 HA3 GLY 112 2HA GLY 112 10.713 -14.789 -7.365 799 HA PRO 113 HA PRO 113 7.159 -16.782 -9.832 800 HB2 PRO 113 1HB PRO 113 7.316 -19.288 -8.799 801 HB3 PRO 113 2HB PRO 113 8.170 -18.800 -10.268 802 HG2 PRO 113 1HG PRO 113 9.202 -19.037 -7.468 803 HG3 PRO 113 2HG PRO 113 9.961 -19.546 -8.988 804 HD2 PRO 113 1HD PRO 113 10.638 -17.252 -7.717 805 HD3 PRO 113 2HD PRO 113 10.688 -17.416 -9.485 806 H SER 114 H SER 114 8.180 -17.730 -6.543 807 HA SER 114 HA SER 114 5.434 -17.603 -5.613 808 HB2 SER 114 1HB SER 114 6.645 -19.424 -4.706 809 HB3 SER 114 2HB SER 114 8.036 -18.411 -4.320 810 HG SER 114 HG SER 114 7.015 -18.617 -2.418 811 H SER 115 H SER 115 8.521 -16.125 -4.605 812 HA SER 115 HA SER 115 7.299 -13.550 -4.284 813 HB2 SER 115 1HB SER 115 7.828 -15.288 -1.910 814 HB3 SER 115 2HB SER 115 8.132 -13.555 -1.770 815 HG SER 115 HG SER 115 5.701 -14.871 -2.369 816 H GLY 116 H GLY 116 8.828 -11.882 -3.850 817 HA2 GLY 116 1HA GLY 116 11.642 -12.652 -3.707 818 HA3 GLY 116 2HA GLY 116 11.129 -11.782 -5.145 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -2.324 -33.958 -7.282 2 HA2 GLY 1 1HA GLY 1 -0.023 -33.676 -7.137 3 HA3 GLY 1 2HA GLY 1 0.034 -33.491 -8.883 4 H SER 2 H SER 2 1.078 -31.632 -9.229 5 HA SER 2 HA SER 2 0.360 -29.290 -7.613 6 HB2 SER 2 1HB SER 2 2.445 -28.292 -8.614 7 HB3 SER 2 2HB SER 2 2.726 -29.719 -7.615 8 HG SER 2 HG SER 2 2.963 -29.393 -10.375 9 H SER 3 H SER 3 -1.497 -28.568 -8.588 10 HA SER 3 HA SER 3 -2.153 -28.482 -11.247 11 HB2 SER 3 1HB SER 3 -3.634 -27.826 -9.325 12 HB3 SER 3 2HB SER 3 -2.794 -26.275 -9.278 13 HG SER 3 HG SER 3 -4.292 -27.340 -11.442 14 H GLY 4 H GLY 4 -1.366 -27.497 -12.986 15 HA2 GLY 4 1HA GLY 4 0.827 -25.646 -12.728 16 HA3 GLY 4 2HA GLY 4 0.145 -26.256 -14.229 17 H SER 5 H SER 5 -1.095 -24.311 -11.507 18 HA SER 5 HA SER 5 -1.566 -22.072 -13.292 19 HB2 SER 5 1HB SER 5 -3.816 -23.565 -11.933 20 HB3 SER 5 2HB SER 5 -3.985 -21.928 -12.566 21 HG SER 5 HG SER 5 -4.187 -22.742 -14.483 22 H SER 6 H SER 6 -1.415 -20.161 -12.261 23 HA SER 6 HA SER 6 -1.837 -19.982 -9.394 24 HB2 SER 6 1HB SER 6 0.611 -20.683 -9.902 25 HB3 SER 6 2HB SER 6 0.809 -19.018 -10.452 26 HG SER 6 HG SER 6 1.341 -19.223 -8.251 27 H GLY 7 H GLY 7 -1.738 -17.738 -8.613 28 HA2 GLY 7 1HA GLY 7 -1.412 -15.371 -9.469 29 HA3 GLY 7 2HA GLY 7 -2.477 -15.870 -10.776 30 H THR 8 H THR 8 -2.296 -15.359 -7.288 31 HA THR 8 HA THR 8 -5.131 -14.613 -7.325 32 HB THR 8 HB THR 8 -3.962 -16.315 -5.121 33 HG1 THR 8 1HG THR 8 -4.123 -17.509 -7.088 34 HG21 THR 8 1HG2 THR 8 -6.643 -16.650 -5.032 35 HG22 THR 8 2HG2 THR 8 -6.550 -14.992 -5.625 36 HG23 THR 8 3HG2 THR 8 -5.777 -15.428 -4.102 37 H GLN 9 H GLN 9 -5.702 -12.991 -5.905 38 HA GLN 9 HA GLN 9 -4.062 -10.964 -5.304 39 HB2 GLN 9 1HB GLN 9 -6.433 -11.996 -3.775 40 HB3 GLN 9 2HB GLN 9 -5.577 -10.554 -3.246 41 HG2 GLN 9 1HG GLN 9 -7.208 -9.614 -4.524 42 HG3 GLN 9 2HG GLN 9 -5.940 -9.809 -5.732 43 HE21 GLN 9 1HE2 GLN 9 -8.945 -11.106 -4.500 44 HE22 GLN 9 2HE2 GLN 9 -9.373 -11.986 -5.923 45 H GLU 10 H GLU 10 -4.334 -13.933 -3.466 46 HA GLU 10 HA GLU 10 -3.156 -13.388 -1.090 47 HB2 GLU 10 1HB GLU 10 -3.837 -15.625 -1.580 48 HB3 GLU 10 2HB GLU 10 -2.694 -15.748 -2.910 49 HG2 GLU 10 1HG GLU 10 -1.558 -16.914 -1.336 50 HG3 GLU 10 2HG GLU 10 -0.946 -15.298 -0.987 51 H GLU 11 H GLU 11 -1.300 -14.290 -4.003 52 HA GLU 11 HA GLU 11 1.245 -13.987 -3.094 53 HB2 GLU 11 1HB GLU 11 1.937 -13.800 -5.304 54 HB3 GLU 11 2HB GLU 11 0.363 -14.568 -5.464 55 HG2 GLU 11 1HG GLU 11 -0.512 -12.147 -5.740 56 HG3 GLU 11 2HG GLU 11 1.170 -11.766 -6.100 57 H LEU 12 H LEU 12 -1.006 -11.429 -3.954 58 HA LEU 12 HA LEU 12 0.943 -9.333 -3.673 59 HB2 LEU 12 1HB LEU 12 -0.764 -8.838 -5.182 60 HB3 LEU 12 2HB LEU 12 -2.021 -9.422 -4.093 61 HG LEU 12 HG LEU 12 -1.414 -7.414 -2.620 62 HD11 LEU 12 1HD1 LEU 12 -0.354 -5.554 -3.670 63 HD12 LEU 12 2HD1 LEU 12 -0.254 -6.406 -5.210 64 HD13 LEU 12 3HD1 LEU 12 0.715 -6.946 -3.839 65 HD21 LEU 12 1HD2 LEU 12 -3.156 -6.285 -3.531 66 HD22 LEU 12 2HD2 LEU 12 -3.342 -7.793 -4.428 67 HD23 LEU 12 3HD2 LEU 12 -2.528 -6.416 -5.175 68 H LEU 13 H LEU 13 -1.897 -10.386 -1.800 69 HA LEU 13 HA LEU 13 -1.785 -8.599 0.282 70 HB2 LEU 13 1HB LEU 13 -3.607 -10.082 0.193 71 HB3 LEU 13 2HB LEU 13 -2.558 -11.498 0.200 72 HG LEU 13 HG LEU 13 -1.974 -11.000 2.556 73 HD11 LEU 13 1HD1 LEU 13 -2.371 -8.617 2.582 74 HD12 LEU 13 2HD1 LEU 13 -3.386 -9.405 3.792 75 HD13 LEU 13 3HD1 LEU 13 -4.088 -8.871 2.265 76 HD21 LEU 13 1HD2 LEU 13 -4.047 -11.791 3.498 77 HD22 LEU 13 2HD2 LEU 13 -3.777 -12.579 1.943 78 HD23 LEU 13 3HD2 LEU 13 -4.940 -11.259 2.073 79 H ARG 14 H ARG 14 -0.372 -11.875 0.429 80 HA ARG 14 HA ARG 14 1.027 -11.654 2.765 81 HB2 ARG 14 1HB ARG 14 1.890 -13.075 0.241 82 HB3 ARG 14 2HB ARG 14 2.603 -13.334 1.827 83 HG2 ARG 14 1HG ARG 14 0.141 -13.855 2.526 84 HG3 ARG 14 2HG ARG 14 -0.072 -14.137 0.797 85 HD2 ARG 14 1HD ARG 14 0.470 -16.234 1.736 86 HD3 ARG 14 2HD ARG 14 1.933 -15.669 0.931 87 HE ARG 14 HE ARG 14 2.311 -14.811 3.442 88 HH11 ARG 14 2HH1 ARG 14 1.348 -17.901 2.159 89 HH12 ARG 14 1HH1 ARG 14 2.064 -18.807 3.451 90 HH21 ARG 14 2HH2 ARG 14 3.257 -15.993 5.149 91 HH22 ARG 14 1HH2 ARG 14 3.149 -17.720 5.152 92 H TRP 15 H TRP 15 2.256 -10.832 -0.475 93 HA TRP 15 HA TRP 15 4.790 -9.983 0.228 94 HB2 TRP 15 1HB TRP 15 4.148 -10.220 -2.093 95 HB3 TRP 15 2HB TRP 15 2.959 -8.930 -1.936 96 HD1 TRP 15 HD TRP 15 6.809 -9.360 -1.692 97 HE1 TRP 15 1HE TRP 15 7.901 -7.187 -2.537 98 HE3 TRP 15 3HE TRP 15 2.587 -6.602 -2.531 99 HZ2 TRP 15 2HZ TRP 15 7.081 -4.642 -3.438 100 HZ3 TRP 15 3HZ TRP 15 2.827 -4.307 -3.385 101 HH2 TRP 15 HH TRP 15 5.029 -3.348 -3.828 102 H CYS 16 H CYS 16 1.777 -8.111 0.168 103 HA CYS 16 HA CYS 16 2.928 -5.642 0.899 104 HB2 CYS 16 1HB CYS 16 0.123 -6.726 1.163 105 HB3 CYS 16 2HB CYS 16 0.554 -5.083 1.621 106 HG CYS 16 HG CYS 16 -0.314 -6.192 -1.299 107 H GLN 17 H GLN 17 1.386 -8.192 2.828 108 HA GLN 17 HA GLN 17 1.388 -7.022 5.312 109 HB2 GLN 17 1HB GLN 17 1.804 -9.866 4.441 110 HB3 GLN 17 2HB GLN 17 1.846 -9.435 6.144 111 HG2 GLN 17 1HG GLN 17 -0.411 -8.572 6.015 112 HG3 GLN 17 2HG GLN 17 -0.460 -8.908 4.286 113 HE21 GLN 17 1HE2 GLN 17 -2.153 -9.893 6.465 114 HE22 GLN 17 2HE2 GLN 17 -2.056 -11.617 6.394 115 H GLU 18 H GLU 18 4.068 -8.735 3.736 116 HA GLU 18 HA GLU 18 5.890 -8.567 5.865 117 HB2 GLU 18 1HB GLU 18 6.477 -8.630 2.900 118 HB3 GLU 18 2HB GLU 18 7.622 -8.995 4.182 119 HG2 GLU 18 1HG GLU 18 5.073 -10.537 3.881 120 HG3 GLU 18 2HG GLU 18 6.515 -10.944 2.954 121 H GLN 19 H GLN 19 5.317 -6.404 3.115 122 HA GLN 19 HA GLN 19 7.387 -4.582 3.714 123 HB2 GLN 19 1HB GLN 19 4.798 -4.091 2.232 124 HB3 GLN 19 2HB GLN 19 6.215 -3.049 2.197 125 HG2 GLN 19 1HG GLN 19 5.782 -5.705 0.927 126 HG3 GLN 19 2HG GLN 19 6.448 -4.223 0.243 127 HE21 GLN 19 1HE2 GLN 19 7.284 -7.210 0.833 128 HE22 GLN 19 2HE2 GLN 19 8.936 -7.028 1.300 129 H THR 20 H THR 20 3.869 -4.197 4.180 130 HA THR 20 HA THR 20 3.998 -1.867 5.708 131 HB THR 20 HB THR 20 1.730 -2.396 6.473 132 HG1 THR 20 1HG THR 20 2.040 -4.895 5.142 133 HG21 THR 20 1HG2 THR 20 1.927 -3.285 3.607 134 HG22 THR 20 2HG2 THR 20 2.262 -1.623 4.089 135 HG23 THR 20 3HG2 THR 20 0.669 -2.320 4.377 136 H ALA 21 H ALA 21 4.503 -5.190 6.597 137 HA ALA 21 HA ALA 21 4.049 -5.205 9.307 138 HB1 ALA 21 1HB ALA 21 5.570 -6.775 7.446 139 HB2 ALA 21 2HB ALA 21 6.442 -6.622 8.971 140 HB3 ALA 21 3HB ALA 21 4.800 -7.264 8.955 141 H GLY 22 H GLY 22 5.267 -4.734 11.150 142 HA2 GLY 22 1HA GLY 22 7.162 -3.895 12.300 143 HA3 GLY 22 2HA GLY 22 7.752 -3.225 10.786 144 H TYR 23 H TYR 23 5.611 -1.769 9.907 145 HA TYR 23 HA TYR 23 5.878 0.647 11.204 146 HB2 TYR 23 1HB TYR 23 4.858 0.163 8.909 147 HB3 TYR 23 2HB TYR 23 3.350 -0.141 9.762 148 HD1 TYR 23 2HD TYR 23 2.879 1.843 11.605 149 HD2 TYR 23 1HD TYR 23 5.013 2.244 7.947 150 HE1 TYR 23 2HE TYR 23 2.375 4.250 11.583 151 HE2 TYR 23 1HE TYR 23 4.516 4.653 7.914 152 HH TYR 23 HH TYR 23 2.579 6.164 10.483 153 HA PRO 24 HA PRO 24 3.574 0.012 14.945 154 HB2 PRO 24 1HB PRO 24 3.718 2.576 15.828 155 HB3 PRO 24 2HB PRO 24 5.077 1.450 15.922 156 HG2 PRO 24 1HG PRO 24 4.532 3.597 13.909 157 HG3 PRO 24 2HG PRO 24 6.059 3.169 14.702 158 HD2 PRO 24 1HD PRO 24 5.456 2.383 12.183 159 HD3 PRO 24 2HD PRO 24 6.448 1.400 13.278 160 H GLY 25 H GLY 25 1.453 -0.357 14.523 161 HA2 GLY 25 1HA GLY 25 -0.768 0.478 14.808 162 HA3 GLY 25 2HA GLY 25 -0.241 2.014 14.136 163 H VAL 26 H VAL 26 0.666 -0.987 12.631 164 HA VAL 26 HA VAL 26 -1.360 -0.555 10.540 165 HB VAL 26 HB VAL 26 1.592 -1.020 10.161 166 HG11 VAL 26 1HG1 VAL 26 -0.682 -1.751 8.415 167 HG12 VAL 26 2HG1 VAL 26 0.701 -0.972 7.642 168 HG13 VAL 26 3HG1 VAL 26 0.924 -2.469 8.550 169 HG21 VAL 26 1HG2 VAL 26 -0.349 1.146 9.476 170 HG22 VAL 26 2HG2 VAL 26 1.251 1.265 10.210 171 HG23 VAL 26 3HG2 VAL 26 1.095 0.916 8.488 172 H HIS 27 H HIS 27 -2.645 -2.279 10.630 173 HA HIS 27 HA HIS 27 -1.391 -4.937 10.842 174 HB2 HIS 27 1HB HIS 27 -2.614 -4.523 12.876 175 HB3 HIS 27 2HB HIS 27 -4.029 -3.988 11.973 176 HD1 HIS 27 1HD HIS 27 -5.378 -5.846 13.272 177 HD2 HIS 27 2HD HIS 27 -2.438 -7.263 10.701 178 HE1 HIS 27 1HE HIS 27 -5.875 -8.293 12.966 179 HE2 HIS 27 2HE HIS 27 -4.034 -9.147 11.476 180 H VAL 28 H VAL 28 -1.273 -5.024 8.544 181 HA VAL 28 HA VAL 28 -3.712 -4.887 6.996 182 HB VAL 28 HB VAL 28 -0.915 -5.693 6.186 183 HG11 VAL 28 1HG1 VAL 28 -1.676 -5.514 3.897 184 HG12 VAL 28 2HG1 VAL 28 -2.663 -6.695 4.760 185 HG13 VAL 28 3HG1 VAL 28 -3.296 -5.080 4.440 186 HG21 VAL 28 1HG2 VAL 28 -1.092 -3.435 4.979 187 HG22 VAL 28 2HG2 VAL 28 -2.435 -3.107 6.073 188 HG23 VAL 28 3HG2 VAL 28 -0.825 -3.419 6.722 189 H SER 29 H SER 29 -4.904 -6.574 8.042 190 HA SER 29 HA SER 29 -3.913 -9.287 7.884 191 HB2 SER 29 1HB SER 29 -5.796 -9.909 9.142 192 HB3 SER 29 2HB SER 29 -5.420 -8.292 9.738 193 HG SER 29 HG SER 29 -7.273 -7.627 9.016 194 H ASP 30 H ASP 30 -5.581 -7.152 5.859 195 HA ASP 30 HA ASP 30 -5.844 -9.095 3.799 196 HB2 ASP 30 1HB ASP 30 -8.442 -8.525 3.659 197 HB3 ASP 30 2HB ASP 30 -7.839 -9.896 4.588 198 H LEU 31 H LEU 31 -7.404 -8.022 1.994 199 HA LEU 31 HA LEU 31 -6.465 -5.241 1.747 200 HB2 LEU 31 1HB LEU 31 -7.280 -6.970 -0.560 201 HB3 LEU 31 2HB LEU 31 -6.269 -5.525 -0.564 202 HG LEU 31 HG LEU 31 -5.322 -8.008 0.811 203 HD11 LEU 31 1HD1 LEU 31 -5.687 -9.047 -1.186 204 HD12 LEU 31 2HD1 LEU 31 -4.113 -8.322 -1.512 205 HD13 LEU 31 3HD1 LEU 31 -5.580 -7.551 -2.114 206 HD21 LEU 31 1HD2 LEU 31 -4.277 -5.415 0.134 207 HD22 LEU 31 2HD2 LEU 31 -3.290 -6.688 -0.585 208 HD23 LEU 31 3HD2 LEU 31 -3.581 -6.674 1.155 209 H SER 32 H SER 32 -8.913 -6.071 3.072 210 HA SER 32 HA SER 32 -10.906 -4.895 1.246 211 HB2 SER 32 1HB SER 32 -11.250 -6.876 3.503 212 HB3 SER 32 2HB SER 32 -12.602 -6.036 2.743 213 HG SER 32 HG SER 32 -11.312 -8.216 1.903 214 H SER 33 H SER 33 -10.758 -5.345 4.772 215 HA SER 33 HA SER 33 -11.211 -2.447 5.067 216 HB2 SER 33 1HB SER 33 -12.259 -4.666 6.840 217 HB3 SER 33 2HB SER 33 -12.525 -2.940 7.083 218 HG SER 33 HG SER 33 -13.223 -3.992 4.604 219 H SER 34 H SER 34 -8.644 -3.546 4.947 220 HA SER 34 HA SER 34 -7.748 -3.252 7.740 221 HB2 SER 34 1HB SER 34 -6.887 -5.143 5.598 222 HB3 SER 34 2HB SER 34 -5.665 -4.555 6.725 223 HG SER 34 HG SER 34 -6.793 -5.440 8.406 224 H TRP 35 H TRP 35 -7.640 -2.044 4.578 225 HA TRP 35 HA TRP 35 -5.171 -0.541 5.095 226 HB2 TRP 35 1HB TRP 35 -6.725 -0.905 2.523 227 HB3 TRP 35 2HB TRP 35 -5.225 0.005 2.687 228 HD1 TRP 35 HD TRP 35 -6.397 -3.635 3.410 229 HE1 TRP 35 1HE TRP 35 -4.482 -5.221 2.745 230 HE3 TRP 35 3HE TRP 35 -2.938 -0.164 1.953 231 HZ2 TRP 35 2HZ TRP 35 -1.852 -5.025 1.737 232 HZ3 TRP 35 3HZ TRP 35 -0.748 -0.946 1.151 233 HH2 TRP 35 HH TRP 35 -0.218 -3.327 1.046 234 H ALA 36 H ALA 36 -8.567 -0.240 5.009 235 HA ALA 36 HA ALA 36 -9.144 2.274 4.171 236 HB1 ALA 36 1HB ALA 36 -10.318 1.658 6.794 237 HB2 ALA 36 2HB ALA 36 -11.098 2.032 5.257 238 HB3 ALA 36 3HB ALA 36 -10.503 0.401 5.570 239 H ASP 37 H ASP 37 -7.918 1.451 7.413 240 HA ASP 37 HA ASP 37 -7.855 3.789 8.711 241 HB2 ASP 37 1HB ASP 37 -5.423 3.071 9.436 242 HB3 ASP 37 2HB ASP 37 -6.821 2.105 9.901 243 H GLY 38 H GLY 38 -5.802 2.963 5.974 244 HA2 GLY 38 1HA GLY 38 -5.067 4.650 4.444 245 HA3 GLY 38 2HA GLY 38 -5.075 5.805 5.769 246 H LEU 39 H LEU 39 -3.653 4.312 7.675 247 HA LEU 39 HA LEU 39 -1.032 4.983 7.113 248 HB2 LEU 39 1HB LEU 39 -2.359 3.206 9.083 249 HB3 LEU 39 2HB LEU 39 -0.615 3.044 8.892 250 HG LEU 39 HG LEU 39 -2.020 5.622 9.584 251 HD11 LEU 39 1HD1 LEU 39 -0.472 3.811 11.425 252 HD12 LEU 39 2HD1 LEU 39 -2.232 3.838 11.323 253 HD13 LEU 39 3HD1 LEU 39 -1.358 5.278 11.844 254 HD21 LEU 39 1HD2 LEU 39 0.236 6.374 10.173 255 HD22 LEU 39 2HD2 LEU 39 0.122 5.933 8.469 256 HD23 LEU 39 3HD2 LEU 39 0.892 4.835 9.615 257 H ALA 40 H ALA 40 -2.617 1.826 6.767 258 HA ALA 40 HA ALA 40 -0.650 0.126 6.132 259 HB1 ALA 40 1HB ALA 40 -3.405 0.315 5.502 260 HB2 ALA 40 2HB ALA 40 -2.552 -0.197 4.046 261 HB3 ALA 40 3HB ALA 40 -2.382 -1.122 5.538 262 H LEU 41 H LEU 41 -2.202 2.019 3.534 263 HA LEU 41 HA LEU 41 -0.358 1.491 1.548 264 HB2 LEU 41 1HB LEU 41 -2.304 3.667 2.067 265 HB3 LEU 41 2HB LEU 41 -1.090 3.948 0.820 266 HG LEU 41 HG LEU 41 -3.017 1.627 0.850 267 HD11 LEU 41 1HD1 LEU 41 -3.205 4.375 -0.234 268 HD12 LEU 41 2HD1 LEU 41 -4.470 3.292 0.346 269 HD13 LEU 41 3HD1 LEU 41 -3.779 3.059 -1.259 270 HD21 LEU 41 1HD2 LEU 41 -1.035 2.617 -1.193 271 HD22 LEU 41 2HD2 LEU 41 -2.280 1.411 -1.517 272 HD23 LEU 41 3HD2 LEU 41 -1.010 1.074 -0.339 273 H CYS 42 H CYS 42 -0.224 3.868 4.125 274 HA CYS 42 HA CYS 42 1.959 5.365 3.135 275 HB2 CYS 42 1HB CYS 42 1.316 4.972 6.054 276 HB3 CYS 42 2HB CYS 42 2.063 6.367 5.286 277 HG CYS 42 HG CYS 42 -1.062 5.599 4.276 278 H ALA 43 H ALA 43 1.790 2.668 5.444 279 HA ALA 43 HA ALA 43 4.522 2.513 6.028 280 HB1 ALA 43 1HB ALA 43 4.058 0.518 7.096 281 HB2 ALA 43 2HB ALA 43 2.485 1.317 7.109 282 HB3 ALA 43 3HB ALA 43 2.824 0.056 5.923 283 H LEU 44 H LEU 44 2.617 1.008 3.456 284 HA LEU 44 HA LEU 44 4.635 -0.658 2.431 285 HB2 LEU 44 1HB LEU 44 2.402 -1.067 1.772 286 HB3 LEU 44 2HB LEU 44 2.195 0.584 1.192 287 HG LEU 44 HG LEU 44 3.913 0.011 -0.594 288 HD11 LEU 44 1HD1 LEU 44 4.560 -2.116 0.747 289 HD12 LEU 44 2HD1 LEU 44 4.513 -2.177 -1.015 290 HD13 LEU 44 3HD1 LEU 44 3.176 -2.837 -0.074 291 HD21 LEU 44 1HD2 LEU 44 2.060 -1.573 -1.713 292 HD22 LEU 44 2HD2 LEU 44 1.871 0.173 -1.551 293 HD23 LEU 44 3HD2 LEU 44 1.114 -0.908 -0.381 294 H VAL 45 H VAL 45 3.650 2.635 1.536 295 HA VAL 45 HA VAL 45 5.498 2.969 -0.563 296 HB VAL 45 HB VAL 45 4.268 5.080 1.214 297 HG11 VAL 45 1HG1 VAL 45 5.195 6.678 -0.060 298 HG12 VAL 45 2HG1 VAL 45 6.359 5.426 -0.494 299 HG13 VAL 45 3HG1 VAL 45 4.983 5.755 -1.547 300 HG21 VAL 45 1HG2 VAL 45 3.132 4.999 -1.384 301 HG22 VAL 45 2HG2 VAL 45 3.112 3.360 -0.730 302 HG23 VAL 45 3HG2 VAL 45 2.353 4.676 0.166 303 H TYR 46 H TYR 46 5.622 4.403 2.704 304 HA TYR 46 HA TYR 46 8.128 5.465 2.663 305 HB2 TYR 46 1HB TYR 46 6.615 4.125 4.894 306 HB3 TYR 46 2HB TYR 46 8.198 4.845 5.165 307 HD1 TYR 46 1HD TYR 46 8.358 7.331 4.055 308 HD2 TYR 46 2HD TYR 46 4.819 5.439 5.470 309 HE1 TYR 46 1HE TYR 46 7.309 9.535 4.360 310 HE2 TYR 46 2HE TYR 46 3.759 7.637 5.777 311 HH TYR 46 HH TYR 46 4.133 10.033 4.663 312 H ARG 47 H ARG 47 7.318 2.110 3.522 313 HA ARG 47 HA ARG 47 9.925 1.235 4.042 314 HB2 ARG 47 1HB ARG 47 7.350 -0.086 3.341 315 HB3 ARG 47 2HB ARG 47 8.821 -1.039 3.194 316 HG2 ARG 47 1HG ARG 47 8.390 0.475 5.710 317 HG3 ARG 47 2HG ARG 47 7.417 -0.970 5.426 318 HD2 ARG 47 1HD ARG 47 9.279 -2.365 5.384 319 HD3 ARG 47 2HD ARG 47 10.387 -1.033 5.057 320 HE ARG 47 HE ARG 47 9.526 -1.963 7.616 321 HH11 ARG 47 2HH1 ARG 47 10.561 0.852 5.849 322 HH12 ARG 47 1HH1 ARG 47 11.159 1.675 7.252 323 HH21 ARG 47 2HH2 ARG 47 10.310 -0.891 9.470 324 HH22 ARG 47 1HH2 ARG 47 11.015 0.682 9.312 325 H LEU 48 H LEU 48 8.009 0.594 1.097 326 HA LEU 48 HA LEU 48 9.773 -0.577 -0.530 327 HB2 LEU 48 1HB LEU 48 7.763 1.560 -1.064 328 HB3 LEU 48 2HB LEU 48 8.820 1.035 -2.373 329 HG LEU 48 HG LEU 48 7.017 -0.811 -0.812 330 HD11 LEU 48 1HD1 LEU 48 5.594 -0.784 -2.824 331 HD12 LEU 48 2HD1 LEU 48 6.586 0.515 -3.484 332 HD13 LEU 48 3HD1 LEU 48 5.654 0.780 -2.011 333 HD21 LEU 48 1HD2 LEU 48 7.790 -2.496 -2.087 334 HD22 LEU 48 2HD2 LEU 48 9.202 -1.454 -2.267 335 HD23 LEU 48 3HD2 LEU 48 7.958 -1.479 -3.518 336 H GLN 49 H GLN 49 9.800 2.862 0.277 337 HA GLN 49 HA GLN 49 12.535 3.007 -0.788 338 HB2 GLN 49 1HB GLN 49 10.205 4.759 -1.385 339 HB3 GLN 49 2HB GLN 49 11.777 5.529 -1.215 340 HG2 GLN 49 1HG GLN 49 12.690 4.207 -2.986 341 HG3 GLN 49 2HG GLN 49 11.223 3.236 -3.078 342 HE21 GLN 49 1HE2 GLN 49 11.954 6.711 -3.000 343 HE22 GLN 49 2HE2 GLN 49 11.010 7.112 -4.390 344 HA PRO 50 HA PRO 50 12.838 4.297 3.544 345 HB2 PRO 50 1HB PRO 50 15.502 3.804 3.720 346 HB3 PRO 50 2HB PRO 50 14.278 2.538 3.877 347 HG2 PRO 50 1HG PRO 50 15.943 3.282 1.502 348 HG3 PRO 50 2HG PRO 50 15.538 1.671 2.124 349 HD2 PRO 50 1HD PRO 50 14.259 2.782 0.011 350 HD3 PRO 50 2HD PRO 50 13.450 1.681 1.146 351 H GLY 51 H GLY 51 13.972 5.597 0.660 352 HA2 GLY 51 1HA GLY 51 15.681 7.628 1.801 353 HA3 GLY 51 2HA GLY 51 15.171 7.512 0.122 354 H LEU 52 H LEU 52 12.397 7.500 0.473 355 HA LEU 52 HA LEU 52 11.820 10.223 0.549 356 HB2 LEU 52 1HB LEU 52 10.192 7.734 0.658 357 HB3 LEU 52 2HB LEU 52 9.405 9.270 1.015 358 HG LEU 52 HG LEU 52 10.984 9.057 -1.498 359 HD11 LEU 52 1HD1 LEU 52 9.859 7.119 -1.932 360 HD12 LEU 52 2HD1 LEU 52 8.662 8.292 -2.480 361 HD13 LEU 52 3HD1 LEU 52 8.498 7.541 -0.893 362 HD21 LEU 52 1HD2 LEU 52 8.564 10.269 -1.978 363 HD22 LEU 52 2HD2 LEU 52 10.078 11.093 -1.607 364 HD23 LEU 52 3HD2 LEU 52 8.924 10.743 -0.319 365 H LEU 53 H LEU 53 10.590 11.472 2.057 366 HA LEU 53 HA LEU 53 11.518 11.555 4.622 367 HB2 LEU 53 1HB LEU 53 9.680 12.994 5.162 368 HB3 LEU 53 2HB LEU 53 10.207 13.327 3.514 369 HG LEU 53 HG LEU 53 7.934 13.395 3.261 370 HD11 LEU 53 1HD1 LEU 53 8.611 10.479 2.910 371 HD12 LEU 53 2HD1 LEU 53 8.766 11.755 1.703 372 HD13 LEU 53 3HD1 LEU 53 7.169 11.266 2.269 373 HD21 LEU 53 1HD2 LEU 53 7.252 12.913 5.485 374 HD22 LEU 53 2HD2 LEU 53 7.782 11.235 5.355 375 HD23 LEU 53 3HD2 LEU 53 6.388 11.796 4.430 376 H GLU 54 H GLU 54 10.022 11.364 6.643 377 HA GLU 54 HA GLU 54 8.935 8.630 6.637 378 HB2 GLU 54 1HB GLU 54 10.351 10.260 8.712 379 HB3 GLU 54 2HB GLU 54 9.264 8.973 9.214 380 HG2 GLU 54 1HG GLU 54 11.644 8.642 7.401 381 HG3 GLU 54 2HG GLU 54 11.590 8.233 9.114 382 HA PRO 55 HA PRO 55 4.903 10.004 7.682 383 HB2 PRO 55 1HB PRO 55 4.091 8.104 9.442 384 HB3 PRO 55 2HB PRO 55 4.269 7.796 7.710 385 HG2 PRO 55 1HG PRO 55 6.146 7.151 9.951 386 HG3 PRO 55 2HG PRO 55 5.678 6.154 8.560 387 HD2 PRO 55 1HD PRO 55 8.015 7.521 8.654 388 HD3 PRO 55 2HD PRO 55 7.137 7.232 7.137 389 H SER 56 H SER 56 7.393 10.437 9.705 390 HA SER 56 HA SER 56 6.759 10.677 12.269 391 HB2 SER 56 1HB SER 56 8.821 11.622 11.463 392 HB3 SER 56 2HB SER 56 7.958 12.863 10.555 393 HG SER 56 HG SER 56 8.622 13.817 12.426 394 H GLU 57 H GLU 57 5.324 12.616 9.714 395 HA GLU 57 HA GLU 57 3.775 14.189 11.596 396 HB2 GLU 57 1HB GLU 57 3.695 14.128 8.574 397 HB3 GLU 57 2HB GLU 57 2.873 15.296 9.599 398 HG2 GLU 57 1HG GLU 57 5.334 15.678 10.498 399 HG3 GLU 57 2HG GLU 57 5.740 15.074 8.892 400 H LEU 58 H LEU 58 3.219 11.682 9.158 401 HA LEU 58 HA LEU 58 0.456 11.563 9.213 402 HB2 LEU 58 1HB LEU 58 2.619 9.607 8.652 403 HB3 LEU 58 2HB LEU 58 0.984 8.985 8.866 404 HG LEU 58 HG LEU 58 0.228 10.477 7.033 405 HD11 LEU 58 1HD1 LEU 58 3.089 11.267 7.126 406 HD12 LEU 58 2HD1 LEU 58 1.654 12.242 6.816 407 HD13 LEU 58 3HD1 LEU 58 2.294 11.191 5.553 408 HD21 LEU 58 1HD2 LEU 58 0.545 8.743 5.685 409 HD22 LEU 58 2HD2 LEU 58 1.646 8.070 6.887 410 HD23 LEU 58 3HD2 LEU 58 2.274 9.075 5.579 411 H GLN 59 H GLN 59 2.748 10.542 11.601 412 HA GLN 59 HA GLN 59 1.409 8.632 13.039 413 HB2 GLN 59 1HB GLN 59 2.688 9.285 14.943 414 HB3 GLN 59 2HB GLN 59 3.691 9.565 13.525 415 HG2 GLN 59 1HG GLN 59 3.022 11.960 13.609 416 HG3 GLN 59 2HG GLN 59 2.198 11.623 15.131 417 HE21 GLN 59 1HE2 GLN 59 3.775 13.385 15.727 418 HE22 GLN 59 2HE2 GLN 59 5.321 12.878 16.306 419 H GLY 60 H GLY 60 0.922 12.137 13.129 420 HA2 GLY 60 1HA GLY 60 -1.477 11.671 14.792 421 HA3 GLY 60 2HA GLY 60 -0.525 13.148 14.835 422 H LEU 61 H LEU 61 -1.871 11.223 12.158 423 HA LEU 61 HA LEU 61 -3.267 13.657 11.256 424 HB2 LEU 61 1HB LEU 61 -1.686 11.621 9.760 425 HB3 LEU 61 2HB LEU 61 -3.043 12.408 8.954 426 HG LEU 61 HG LEU 61 -0.674 13.843 10.151 427 HD11 LEU 61 1HD1 LEU 61 -0.956 12.445 7.675 428 HD12 LEU 61 2HD1 LEU 61 0.430 13.341 8.297 429 HD13 LEU 61 3HD1 LEU 61 -0.812 14.175 7.361 430 HD21 LEU 61 1HD2 LEU 61 -3.028 14.786 8.524 431 HD22 LEU 61 2HD2 LEU 61 -1.583 15.751 8.825 432 HD23 LEU 61 3HD2 LEU 61 -2.607 15.251 10.172 433 H GLY 62 H GLY 62 -5.216 13.264 9.957 434 HA2 GLY 62 1HA GLY 62 -6.943 11.412 11.244 435 HA3 GLY 62 2HA GLY 62 -7.341 12.393 9.841 436 H ALA 63 H ALA 63 -7.999 9.593 10.433 437 HA ALA 63 HA ALA 63 -6.571 7.652 9.199 438 HB1 ALA 63 1HB ALA 63 -8.437 6.427 9.355 439 HB2 ALA 63 2HB ALA 63 -9.140 7.859 10.109 440 HB3 ALA 63 3HB ALA 63 -9.376 7.564 8.386 441 H LEU 64 H LEU 64 -8.218 10.308 7.654 442 HA LEU 64 HA LEU 64 -7.885 9.196 4.996 443 HB2 LEU 64 1HB LEU 64 -9.763 10.792 5.962 444 HB3 LEU 64 2HB LEU 64 -8.629 12.040 5.451 445 HG LEU 64 HG LEU 64 -8.747 11.239 3.158 446 HD11 LEU 64 1HD1 LEU 64 -10.990 9.508 3.279 447 HD12 LEU 64 2HD1 LEU 64 -9.759 8.888 4.380 448 HD13 LEU 64 3HD1 LEU 64 -9.365 9.167 2.683 449 HD21 LEU 64 1HD2 LEU 64 -11.595 11.428 4.041 450 HD22 LEU 64 2HD2 LEU 64 -10.801 12.161 2.648 451 HD23 LEU 64 3HD2 LEU 64 -10.509 12.800 4.267 452 H GLU 65 H GLU 65 -6.776 12.149 6.669 453 HA GLU 65 HA GLU 65 -5.091 13.254 4.899 454 HB2 GLU 65 1HB GLU 65 -4.690 12.817 7.849 455 HB3 GLU 65 2HB GLU 65 -3.540 13.738 6.890 456 HG2 GLU 65 1HG GLU 65 -6.461 14.408 6.939 457 HG3 GLU 65 2HG GLU 65 -5.335 15.031 8.143 458 H ALA 66 H ALA 66 -4.511 10.266 6.644 459 HA ALA 66 HA ALA 66 -1.791 9.942 5.976 460 HB1 ALA 66 1HB ALA 66 -1.932 7.961 7.052 461 HB2 ALA 66 2HB ALA 66 -3.469 8.628 7.607 462 HB3 ALA 66 3HB ALA 66 -3.433 7.506 6.247 463 H THR 67 H THR 67 -4.534 8.090 4.642 464 HA THR 67 HA THR 67 -3.319 6.887 2.535 465 HB THR 67 HB THR 67 -6.047 8.137 2.233 466 HG1 THR 67 1HG THR 67 -6.144 7.101 4.190 467 HG21 THR 67 1HG2 THR 67 -6.408 5.861 1.090 468 HG22 THR 67 2HG2 THR 67 -4.648 5.747 1.071 469 HG23 THR 67 3HG2 THR 67 -5.456 7.072 0.234 470 H ALA 68 H ALA 68 -4.377 10.238 2.709 471 HA ALA 68 HA ALA 68 -4.201 11.001 0.061 472 HB1 ALA 68 1HB ALA 68 -3.867 12.401 2.652 473 HB2 ALA 68 2HB ALA 68 -3.318 13.236 1.199 474 HB3 ALA 68 3HB ALA 68 -4.995 12.709 1.332 475 H TRP 69 H TRP 69 -1.591 11.112 2.490 476 HA TRP 69 HA TRP 69 0.439 12.006 0.813 477 HB2 TRP 69 1HB TRP 69 0.742 11.954 3.212 478 HB3 TRP 69 2HB TRP 69 0.587 10.199 3.234 479 HD1 TRP 69 HD TRP 69 3.058 12.975 2.306 480 HE1 TRP 69 1HE TRP 69 5.407 11.943 2.091 481 HE3 TRP 69 3HE TRP 69 1.815 8.033 2.726 482 HZ2 TRP 69 2HZ TRP 69 6.577 9.374 2.097 483 HZ3 TRP 69 3HZ TRP 69 3.608 6.352 2.611 484 HH2 TRP 69 HH TRP 69 5.939 7.011 2.301 485 H ALA 70 H ALA 70 -0.096 8.630 1.847 486 HA ALA 70 HA ALA 70 1.708 7.287 0.370 487 HB1 ALA 70 1HB ALA 70 -1.103 6.269 0.341 488 HB2 ALA 70 2HB ALA 70 0.408 5.388 0.580 489 HB3 ALA 70 3HB ALA 70 -0.226 6.416 1.864 490 H LEU 71 H LEU 71 -1.562 7.995 -0.883 491 HA LEU 71 HA LEU 71 -1.169 7.143 -3.483 492 HB2 LEU 71 1HB LEU 71 -2.918 9.293 -2.330 493 HB3 LEU 71 2HB LEU 71 -2.939 8.901 -4.048 494 HG LEU 71 HG LEU 71 -3.395 6.733 -2.043 495 HD11 LEU 71 1HD1 LEU 71 -5.562 8.576 -3.032 496 HD12 LEU 71 2HD1 LEU 71 -4.858 8.651 -1.416 497 HD13 LEU 71 3HD1 LEU 71 -5.734 7.209 -1.930 498 HD21 LEU 71 1HD2 LEU 71 -5.096 6.687 -4.319 499 HD22 LEU 71 2HD2 LEU 71 -3.798 5.573 -3.888 500 HD23 LEU 71 3HD2 LEU 71 -3.448 7.002 -4.864 501 H LYS 72 H LYS 72 -0.137 10.091 -1.940 502 HA LYS 72 HA LYS 72 0.515 11.461 -4.377 503 HB2 LYS 72 1HB LYS 72 0.004 12.426 -1.995 504 HB3 LYS 72 2HB LYS 72 1.722 12.160 -1.725 505 HG2 LYS 72 1HG LYS 72 1.934 13.472 -4.000 506 HG3 LYS 72 2HG LYS 72 0.356 14.097 -3.513 507 HD2 LYS 72 1HD LYS 72 1.553 14.496 -1.222 508 HD3 LYS 72 2HD LYS 72 3.020 14.425 -2.202 509 HE2 LYS 72 1HE LYS 72 1.783 16.125 -3.719 510 HE3 LYS 72 2HE LYS 72 0.762 16.390 -2.307 511 HZ1 LYS 72 1HZ LYS 72 3.543 16.431 -1.653 512 HZ2 LYS 72 2HZ LYS 72 2.345 17.581 -1.330 513 HZ3 LYS 72 3HZ LYS 72 3.155 17.599 -2.814 514 H VAL 73 H VAL 73 2.663 10.495 -1.702 515 HA VAL 73 HA VAL 73 5.051 10.648 -3.063 516 HB VAL 73 HB VAL 73 4.256 8.783 -0.829 517 HG11 VAL 73 1HG1 VAL 73 6.875 9.153 -2.222 518 HG12 VAL 73 2HG1 VAL 73 6.836 8.759 -0.503 519 HG13 VAL 73 3HG1 VAL 73 6.095 7.669 -1.674 520 HG21 VAL 73 1HG2 VAL 73 5.450 11.511 -1.002 521 HG22 VAL 73 2HG2 VAL 73 4.187 10.901 0.068 522 HG23 VAL 73 3HG2 VAL 73 5.872 10.469 0.357 523 H ALA 74 H ALA 74 2.560 8.301 -3.384 524 HA ALA 74 HA ALA 74 4.242 6.279 -4.582 525 HB1 ALA 74 1HB ALA 74 1.276 6.528 -4.175 526 HB2 ALA 74 2HB ALA 74 1.994 5.207 -5.095 527 HB3 ALA 74 3HB ALA 74 2.404 5.420 -3.394 528 H GLU 75 H GLU 75 1.919 8.712 -5.668 529 HA GLU 75 HA GLU 75 2.129 7.931 -8.431 530 HB2 GLU 75 1HB GLU 75 0.061 8.920 -7.506 531 HB3 GLU 75 2HB GLU 75 0.927 10.421 -7.210 532 HG2 GLU 75 1HG GLU 75 0.796 9.255 -9.959 533 HG3 GLU 75 2HG GLU 75 -0.539 10.209 -9.316 534 H ASN 76 H ASN 76 3.832 10.011 -6.296 535 HA ASN 76 HA ASN 76 4.993 11.605 -8.429 536 HB2 ASN 76 1HB ASN 76 5.151 11.633 -5.438 537 HB3 ASN 76 2HB ASN 76 6.391 12.457 -6.378 538 HD21 ASN 76 1HD2 ASN 76 3.490 12.818 -4.871 539 HD22 ASN 76 2HD2 ASN 76 2.919 14.232 -5.684 540 H GLU 77 H GLU 77 6.385 9.671 -5.770 541 HA GLU 77 HA GLU 77 8.865 9.349 -7.177 542 HB2 GLU 77 1HB GLU 77 7.772 8.529 -4.537 543 HB3 GLU 77 2HB GLU 77 9.110 7.587 -5.180 544 HG2 GLU 77 1HG GLU 77 9.348 10.547 -5.171 545 HG3 GLU 77 2HG GLU 77 9.503 9.685 -3.641 546 H LEU 78 H LEU 78 6.784 6.818 -5.785 547 HA LEU 78 HA LEU 78 7.741 4.741 -7.363 548 HB2 LEU 78 1HB LEU 78 4.906 4.873 -6.389 549 HB3 LEU 78 2HB LEU 78 5.935 3.456 -6.584 550 HG LEU 78 HG LEU 78 6.204 5.585 -4.462 551 HD11 LEU 78 1HD1 LEU 78 5.164 4.194 -3.014 552 HD12 LEU 78 2HD1 LEU 78 5.742 2.737 -3.822 553 HD13 LEU 78 3HD1 LEU 78 4.379 3.634 -4.491 554 HD21 LEU 78 1HD2 LEU 78 8.152 4.651 -3.767 555 HD22 LEU 78 2HD2 LEU 78 8.289 4.280 -5.487 556 HD23 LEU 78 3HD2 LEU 78 7.725 3.045 -4.359 557 H GLY 79 H GLY 79 5.498 7.257 -8.127 558 HA2 GLY 79 1HA GLY 79 4.499 7.833 -10.113 559 HA3 GLY 79 2HA GLY 79 5.526 6.637 -10.890 560 H ILE 80 H ILE 80 3.622 5.430 -8.335 561 HA ILE 80 HA ILE 80 2.128 3.770 -10.137 562 HB ILE 80 HB ILE 80 1.937 4.067 -7.138 563 HG12 ILE 80 1HG1 ILE 80 4.103 3.208 -7.961 564 HG13 ILE 80 2HG1 ILE 80 3.208 1.987 -7.063 565 HG21 ILE 80 1HG2 ILE 80 0.538 2.271 -9.076 566 HG22 ILE 80 2HG2 ILE 80 0.861 1.729 -7.430 567 HG23 ILE 80 3HG2 ILE 80 -0.119 3.168 -7.707 568 HD11 ILE 80 1HD1 ILE 80 3.453 2.193 -10.055 569 HD12 ILE 80 2HD1 ILE 80 4.224 1.002 -9.007 570 HD13 ILE 80 3HD1 ILE 80 2.472 1.006 -9.195 571 H THR 81 H THR 81 0.893 5.289 -11.325 572 HA THR 81 HA THR 81 -0.682 7.326 -10.599 573 HB THR 81 HB THR 81 -1.674 5.096 -12.385 574 HG1 THR 81 1HG THR 81 -0.407 7.416 -13.345 575 HG21 THR 81 1HG2 THR 81 -3.429 6.673 -11.847 576 HG22 THR 81 2HG2 THR 81 -2.902 6.936 -13.509 577 HG23 THR 81 3HG2 THR 81 -2.372 8.030 -12.232 578 HA PRO 82 HA PRO 82 -3.402 5.810 -7.445 579 HB2 PRO 82 1HB PRO 82 -5.002 8.000 -7.313 580 HB3 PRO 82 2HB PRO 82 -3.376 7.954 -6.621 581 HG2 PRO 82 1HG PRO 82 -4.294 9.108 -9.226 582 HG3 PRO 82 2HG PRO 82 -3.161 9.783 -8.040 583 HD2 PRO 82 1HD PRO 82 -2.336 8.547 -10.304 584 HD3 PRO 82 2HD PRO 82 -1.407 8.489 -8.792 585 H VAL 83 H VAL 83 -4.523 4.140 -8.428 586 HA VAL 83 HA VAL 83 -6.500 4.589 -10.450 587 HB VAL 83 HB VAL 83 -5.130 2.428 -9.945 588 HG11 VAL 83 1HG1 VAL 83 -6.366 2.485 -7.578 589 HG12 VAL 83 2HG1 VAL 83 -7.529 1.508 -8.477 590 HG13 VAL 83 3HG1 VAL 83 -5.849 0.985 -8.350 591 HG21 VAL 83 1HG2 VAL 83 -7.611 1.281 -10.557 592 HG22 VAL 83 2HG2 VAL 83 -7.675 2.927 -11.189 593 HG23 VAL 83 3HG2 VAL 83 -6.380 1.841 -11.689 594 H VAL 84 H VAL 84 -6.489 4.435 -6.977 595 HA VAL 84 HA VAL 84 -9.419 4.768 -6.985 596 HB VAL 84 HB VAL 84 -7.683 3.384 -4.943 597 HG11 VAL 84 1HG1 VAL 84 -9.649 3.128 -3.561 598 HG12 VAL 84 2HG1 VAL 84 -9.348 4.842 -3.847 599 HG13 VAL 84 3HG1 VAL 84 -10.626 4.011 -4.734 600 HG21 VAL 84 1HG2 VAL 84 -9.464 1.576 -5.398 601 HG22 VAL 84 2HG2 VAL 84 -9.820 2.506 -6.853 602 HG23 VAL 84 3HG2 VAL 84 -8.207 1.839 -6.606 603 H SER 85 H SER 85 -10.309 6.216 -5.455 604 HA SER 85 HA SER 85 -8.606 8.479 -4.906 605 HB2 SER 85 1HB SER 85 -11.155 8.393 -5.633 606 HB3 SER 85 2HB SER 85 -11.412 8.331 -3.889 607 HG SER 85 HG SER 85 -9.625 10.242 -4.828 608 H ALA 86 H ALA 86 -8.159 9.367 -2.879 609 HA ALA 86 HA ALA 86 -7.500 7.589 -0.839 610 HB1 ALA 86 1HB ALA 86 -7.965 10.276 0.149 611 HB2 ALA 86 2HB ALA 86 -6.462 9.358 0.028 612 HB3 ALA 86 3HB ALA 86 -7.054 10.267 -1.362 613 H GLN 87 H GLN 87 -10.421 9.449 -1.386 614 HA GLN 87 HA GLN 87 -11.539 8.939 1.203 615 HB2 GLN 87 1HB GLN 87 -12.086 10.848 -0.479 616 HB3 GLN 87 2HB GLN 87 -13.170 9.670 -1.208 617 HG2 GLN 87 1HG GLN 87 -14.012 9.410 1.269 618 HG3 GLN 87 2HG GLN 87 -13.336 11.031 1.427 619 HE21 GLN 87 1HE2 GLN 87 -16.117 10.078 1.528 620 HE22 GLN 87 2HE2 GLN 87 -16.965 10.989 0.330 621 H ALA 88 H ALA 88 -11.491 7.300 -1.851 622 HA ALA 88 HA ALA 88 -13.744 5.611 -1.362 623 HB1 ALA 88 1HB ALA 88 -11.460 5.179 -3.282 624 HB2 ALA 88 2HB ALA 88 -13.041 4.397 -3.323 625 HB3 ALA 88 3HB ALA 88 -12.905 6.129 -3.628 626 H VAL 89 H VAL 89 -10.232 5.229 -1.046 627 HA VAL 89 HA VAL 89 -10.209 2.530 -0.298 628 HB VAL 89 HB VAL 89 -8.285 4.715 0.512 629 HG11 VAL 89 1HG1 VAL 89 -6.811 2.459 0.459 630 HG12 VAL 89 2HG1 VAL 89 -7.564 3.104 1.919 631 HG13 VAL 89 3HG1 VAL 89 -8.354 1.812 1.014 632 HG21 VAL 89 1HG2 VAL 89 -8.718 4.203 -1.979 633 HG22 VAL 89 2HG2 VAL 89 -7.051 4.253 -1.407 634 HG23 VAL 89 3HG2 VAL 89 -7.850 2.701 -1.664 635 H VAL 90 H VAL 90 -9.974 5.404 1.807 636 HA VAL 90 HA VAL 90 -10.175 4.010 4.234 637 HB VAL 90 HB VAL 90 -11.045 6.855 3.705 638 HG11 VAL 90 1HG1 VAL 90 -11.593 5.558 5.919 639 HG12 VAL 90 2HG1 VAL 90 -9.898 5.889 6.281 640 HG13 VAL 90 3HG1 VAL 90 -11.012 7.221 5.970 641 HG21 VAL 90 1HG2 VAL 90 -8.655 7.238 4.694 642 HG22 VAL 90 2HG2 VAL 90 -8.357 5.611 4.081 643 HG23 VAL 90 3HG2 VAL 90 -8.860 6.890 2.976 644 H ALA 91 H ALA 91 -12.668 5.707 2.345 645 HA ALA 91 HA ALA 91 -14.792 4.968 4.105 646 HB1 ALA 91 1HB ALA 91 -16.199 6.137 2.690 647 HB2 ALA 91 2HB ALA 91 -14.652 6.946 2.435 648 HB3 ALA 91 3HB ALA 91 -15.236 5.769 1.258 649 H GLY 92 H GLY 92 -12.972 3.071 2.198 650 HA2 GLY 92 1HA GLY 92 -13.256 1.039 1.160 651 HA3 GLY 92 2HA GLY 92 -14.504 0.795 2.373 652 H SER 93 H SER 93 -15.002 3.442 0.269 653 HA SER 93 HA SER 93 -17.449 2.509 -0.687 654 HB2 SER 93 1HB SER 93 -17.579 4.484 -1.889 655 HB3 SER 93 2HB SER 93 -16.369 4.915 -0.680 656 HG SER 93 HG SER 93 -15.768 5.469 -2.852 657 H ASP 94 H ASP 94 -14.218 2.032 -1.874 658 HA ASP 94 HA ASP 94 -15.300 0.323 -4.005 659 HB2 ASP 94 1HB ASP 94 -12.848 2.039 -4.390 660 HB3 ASP 94 2HB ASP 94 -13.729 1.119 -5.608 661 HA PRO 95 HA PRO 95 -12.388 -2.108 -1.430 662 HB2 PRO 95 1HB PRO 95 -13.749 -4.438 -1.725 663 HB3 PRO 95 2HB PRO 95 -14.166 -3.230 -0.504 664 HG2 PRO 95 1HG PRO 95 -15.413 -3.728 -3.179 665 HG3 PRO 95 2HG PRO 95 -16.198 -3.390 -1.626 666 HD2 PRO 95 1HD PRO 95 -15.854 -1.493 -3.526 667 HD3 PRO 95 2HD PRO 95 -15.832 -1.121 -1.791 668 H LEU 96 H LEU 96 -13.651 -2.507 -4.654 669 HA LEU 96 HA LEU 96 -11.794 -4.578 -5.396 670 HB2 LEU 96 1HB LEU 96 -13.727 -2.876 -6.945 671 HB3 LEU 96 2HB LEU 96 -12.644 -4.028 -7.725 672 HG LEU 96 HG LEU 96 -13.775 -5.714 -6.041 673 HD11 LEU 96 1HD1 LEU 96 -16.234 -4.187 -6.505 674 HD12 LEU 96 2HD1 LEU 96 -15.141 -3.484 -5.313 675 HD13 LEU 96 3HD1 LEU 96 -15.728 -5.134 -5.107 676 HD21 LEU 96 1HD2 LEU 96 -15.707 -5.230 -8.121 677 HD22 LEU 96 2HD2 LEU 96 -14.563 -6.559 -7.938 678 HD23 LEU 96 3HD2 LEU 96 -14.064 -5.068 -8.740 679 H GLY 97 H GLY 97 -12.133 -1.099 -6.025 680 HA2 GLY 97 1HA GLY 97 -9.993 -0.744 -7.754 681 HA3 GLY 97 2HA GLY 97 -10.580 0.477 -6.635 682 H LEU 98 H LEU 98 -9.970 -0.551 -4.200 683 HA LEU 98 HA LEU 98 -7.342 0.151 -3.794 684 HB2 LEU 98 1HB LEU 98 -8.959 -0.021 -1.995 685 HB3 LEU 98 2HB LEU 98 -9.024 -1.771 -2.190 686 HG LEU 98 HG LEU 98 -6.776 -1.999 -1.361 687 HD11 LEU 98 1HD1 LEU 98 -5.427 -0.132 -0.673 688 HD12 LEU 98 2HD1 LEU 98 -6.710 1.002 -1.094 689 HD13 LEU 98 3HD1 LEU 98 -5.892 0.087 -2.360 690 HD21 LEU 98 1HD2 LEU 98 -7.803 -0.075 0.626 691 HD22 LEU 98 2HD2 LEU 98 -7.321 -1.762 0.817 692 HD23 LEU 98 3HD2 LEU 98 -8.908 -1.367 0.153 693 H ILE 99 H ILE 99 -8.637 -3.157 -4.061 694 HA ILE 99 HA ILE 99 -6.277 -4.569 -3.778 695 HB ILE 99 HB ILE 99 -8.638 -5.222 -5.544 696 HG12 ILE 99 1HG1 ILE 99 -7.936 -6.285 -2.803 697 HG13 ILE 99 2HG1 ILE 99 -9.030 -4.932 -3.066 698 HG21 ILE 99 1HG2 ILE 99 -7.446 -6.921 -6.334 699 HG22 ILE 99 2HG2 ILE 99 -6.090 -6.519 -5.282 700 HG23 ILE 99 3HG2 ILE 99 -7.376 -7.576 -4.699 701 HD11 ILE 99 1HD1 ILE 99 -10.011 -7.280 -2.728 702 HD12 ILE 99 2HD1 ILE 99 -10.654 -6.274 -4.027 703 HD13 ILE 99 3HD1 ILE 99 -9.510 -7.565 -4.393 704 H ALA 100 H ALA 100 -7.764 -3.490 -6.835 705 HA ALA 100 HA ALA 100 -5.676 -4.334 -8.510 706 HB1 ALA 100 1HB ALA 100 -7.911 -2.374 -8.791 707 HB2 ALA 100 2HB ALA 100 -6.661 -2.461 -10.033 708 HB3 ALA 100 3HB ALA 100 -7.626 -3.887 -9.652 709 H TYR 101 H TYR 101 -6.051 -1.504 -6.526 710 HA TYR 101 HA TYR 101 -4.111 0.125 -7.796 711 HB2 TYR 101 1HB TYR 101 -5.789 1.061 -6.282 712 HB3 TYR 101 2HB TYR 101 -5.101 0.157 -4.937 713 HD1 TYR 101 1HD TYR 101 -3.481 2.187 -7.620 714 HD2 TYR 101 2HD TYR 101 -4.200 1.691 -3.456 715 HE1 TYR 101 1HE TYR 101 -1.965 4.064 -7.141 716 HE2 TYR 101 2HE TYR 101 -2.687 3.567 -2.966 717 HH TYR 101 HH TYR 101 -0.621 4.928 -5.330 718 H LEU 102 H LEU 102 -3.950 -1.923 -4.888 719 HA LEU 102 HA LEU 102 -1.236 -1.507 -4.334 720 HB2 LEU 102 1HB LEU 102 -2.965 -3.909 -3.758 721 HB3 LEU 102 2HB LEU 102 -1.381 -3.609 -3.042 722 HG LEU 102 HG LEU 102 -3.751 -1.782 -2.678 723 HD11 LEU 102 1HD1 LEU 102 -3.054 -3.191 -0.307 724 HD12 LEU 102 2HD1 LEU 102 -3.353 -4.362 -1.591 725 HD13 LEU 102 3HD1 LEU 102 -4.590 -3.175 -1.175 726 HD21 LEU 102 1HD2 LEU 102 -1.007 -1.962 -1.468 727 HD22 LEU 102 2HD2 LEU 102 -2.332 -1.122 -0.662 728 HD23 LEU 102 3HD2 LEU 102 -1.782 -0.583 -2.250 729 H SER 103 H SER 103 -2.855 -3.856 -6.407 730 HA SER 103 HA SER 103 -0.846 -5.627 -6.966 731 HB2 SER 103 1HB SER 103 -3.117 -5.816 -7.890 732 HB3 SER 103 2HB SER 103 -2.798 -4.451 -8.960 733 HG SER 103 HG SER 103 -1.489 -5.670 -10.161 734 H HIS 104 H HIS 104 -1.280 -2.382 -8.282 735 HA HIS 104 HA HIS 104 0.688 -2.441 -10.258 736 HB2 HIS 104 1HB HIS 104 -0.217 -0.119 -8.543 737 HB3 HIS 104 2HB HIS 104 0.739 0.029 -10.013 738 HD1 HIS 104 1HD HIS 104 -1.225 1.474 -11.001 739 HD2 HIS 104 2HD HIS 104 -2.184 -2.487 -10.198 740 HE1 HIS 104 1HE HIS 104 -3.384 1.046 -12.216 741 HE2 HIS 104 2HE HIS 104 -3.989 -1.331 -11.645 742 H PHE 105 H PHE 105 0.930 -1.904 -6.794 743 HA PHE 105 HA PHE 105 3.611 -1.007 -6.762 744 HB2 PHE 105 1HB PHE 105 1.807 -2.222 -4.682 745 HB3 PHE 105 2HB PHE 105 3.488 -1.842 -4.323 746 HD1 PHE 105 1HD PHE 105 0.392 -0.286 -5.684 747 HD2 PHE 105 2HD PHE 105 4.034 0.262 -3.551 748 HE1 PHE 105 1HE PHE 105 -0.245 2.041 -5.202 749 HE2 PHE 105 2HE PHE 105 3.403 2.590 -3.065 750 HZ PHE 105 HZ PHE 105 1.261 3.482 -3.891 751 H HIS 106 H HIS 106 2.223 -4.205 -6.017 752 HA HIS 106 HA HIS 106 4.682 -5.529 -5.707 753 HB2 HIS 106 1HB HIS 106 2.600 -6.482 -4.874 754 HB3 HIS 106 2HB HIS 106 1.984 -6.631 -6.517 755 HD1 HIS 106 1HD HIS 106 2.126 -8.943 -7.344 756 HD2 HIS 106 2HD HIS 106 5.221 -8.067 -4.715 757 HE1 HIS 106 1HE HIS 106 3.476 -11.058 -7.164 758 HE2 HIS 106 2HE HIS 106 5.293 -10.529 -5.503 759 H SER 107 H SER 107 2.422 -5.700 -8.465 760 HA SER 107 HA SER 107 3.890 -7.166 -10.222 761 HB2 SER 107 1HB SER 107 1.570 -6.010 -10.504 762 HB3 SER 107 2HB SER 107 2.502 -4.696 -11.223 763 HG SER 107 HG SER 107 2.198 -7.353 -12.111 764 H ALA 108 H ALA 108 4.597 -3.991 -9.089 765 HA ALA 108 HA ALA 108 6.645 -3.606 -11.153 766 HB1 ALA 108 1HB ALA 108 4.977 -1.782 -10.580 767 HB2 ALA 108 2HB ALA 108 5.850 -1.605 -9.057 768 HB3 ALA 108 3HB ALA 108 6.681 -1.321 -10.587 769 H PHE 109 H PHE 109 6.204 -4.198 -7.750 770 HA PHE 109 HA PHE 109 9.127 -4.139 -7.385 771 HB2 PHE 109 1HB PHE 109 6.886 -3.552 -5.460 772 HB3 PHE 109 2HB PHE 109 8.511 -3.937 -4.901 773 HD1 PHE 109 1HD PHE 109 6.653 -1.600 -7.115 774 HD2 PHE 109 2HD PHE 109 10.100 -2.262 -4.706 775 HE1 PHE 109 1HE PHE 109 7.303 0.756 -7.403 776 HE2 PHE 109 2HE PHE 109 10.754 0.092 -4.990 777 HZ PHE 109 HZ PHE 109 9.355 1.605 -6.338 778 H LYS 110 H LYS 110 7.963 -6.368 -8.523 779 HA LYS 110 HA LYS 110 7.960 -8.333 -6.327 780 HB2 LYS 110 1HB LYS 110 6.812 -9.841 -7.967 781 HB3 LYS 110 2HB LYS 110 5.878 -8.423 -7.507 782 HG2 LYS 110 1HG LYS 110 6.483 -7.325 -9.588 783 HG3 LYS 110 2HG LYS 110 7.469 -8.716 -10.048 784 HD2 LYS 110 1HD LYS 110 4.527 -8.931 -9.447 785 HD3 LYS 110 2HD LYS 110 5.148 -8.590 -11.064 786 HE2 LYS 110 1HE LYS 110 6.040 -10.688 -11.311 787 HE3 LYS 110 2HE LYS 110 6.263 -10.915 -9.577 788 HZ1 LYS 110 1HZ LYS 110 4.114 -11.745 -11.201 789 HZ2 LYS 110 2HZ LYS 110 3.533 -10.688 -10.017 790 HZ3 LYS 110 3HZ LYS 110 4.393 -12.072 -9.564 791 H SER 111 H SER 111 10.381 -7.930 -6.564 792 HA SER 111 HA SER 111 11.524 -9.494 -8.772 793 HB2 SER 111 1HB SER 111 12.727 -7.466 -6.886 794 HB3 SER 111 2HB SER 111 13.710 -8.483 -7.940 795 HG SER 111 HG SER 111 11.586 -7.082 -9.088 796 H GLY 112 H GLY 112 12.296 -8.965 -5.323 797 HA2 GLY 112 1HA GLY 112 13.714 -11.365 -4.996 798 HA3 GLY 112 2HA GLY 112 13.003 -10.420 -3.696 799 HA PRO 113 HA PRO 113 10.804 -14.571 -4.339 800 HB2 PRO 113 1HB PRO 113 11.658 -15.785 -2.066 801 HB3 PRO 113 2HB PRO 113 12.523 -15.906 -3.603 802 HG2 PRO 113 1HG PRO 113 13.071 -14.132 -1.255 803 HG3 PRO 113 2HG PRO 113 14.213 -15.051 -2.254 804 HD2 PRO 113 1HD PRO 113 13.800 -12.396 -2.583 805 HD3 PRO 113 2HD PRO 113 14.210 -13.473 -3.934 806 H SER 114 H SER 114 8.903 -13.381 -3.946 807 HA SER 114 HA SER 114 8.188 -13.084 -1.103 808 HB2 SER 114 1HB SER 114 6.572 -11.342 -1.859 809 HB3 SER 114 2HB SER 114 8.250 -10.918 -2.193 810 HG SER 114 HG SER 114 6.595 -10.652 -3.939 811 H SER 115 H SER 115 7.919 -15.552 -2.302 812 HA SER 115 HA SER 115 5.003 -15.770 -2.686 813 HB2 SER 115 1HB SER 115 7.178 -17.569 -3.784 814 HB3 SER 115 2HB SER 115 5.446 -17.817 -3.996 815 HG SER 115 HG SER 115 6.492 -15.343 -4.735 816 H GLY 116 H GLY 116 4.562 -16.023 -0.482 817 HA2 GLY 116 1HA GLY 116 3.925 -18.092 0.804 818 HA3 GLY 116 2HA GLY 116 5.634 -18.494 0.730 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.803 -24.301 -5.558 2 HA2 GLY 1 1HA GLY 1 6.837 -25.560 -3.777 3 HA3 GLY 1 2HA GLY 1 7.062 -23.820 -3.687 4 H SER 2 H SER 2 6.042 -22.528 -5.124 5 HA SER 2 HA SER 2 4.965 -23.605 -7.586 6 HB2 SER 2 1HB SER 2 3.116 -22.512 -5.451 7 HB3 SER 2 2HB SER 2 2.642 -22.979 -7.084 8 HG SER 2 HG SER 2 3.798 -25.079 -6.264 9 H SER 3 H SER 3 4.912 -22.093 -9.137 10 HA SER 3 HA SER 3 6.032 -19.552 -8.713 11 HB2 SER 3 1HB SER 3 5.919 -20.913 -10.890 12 HB3 SER 3 2HB SER 3 4.298 -20.245 -11.081 13 HG SER 3 HG SER 3 5.119 -18.285 -11.400 14 H GLY 4 H GLY 4 2.680 -20.381 -9.631 15 HA2 GLY 4 1HA GLY 4 0.908 -19.347 -8.225 16 HA3 GLY 4 2HA GLY 4 1.839 -17.860 -8.336 17 H SER 5 H SER 5 1.452 -16.494 -9.980 18 HA SER 5 HA SER 5 0.254 -15.538 -11.674 19 HB2 SER 5 1HB SER 5 0.980 -18.195 -12.928 20 HB3 SER 5 2HB SER 5 0.346 -16.815 -13.825 21 HG SER 5 HG SER 5 2.201 -15.641 -12.890 22 H SER 6 H SER 6 -1.410 -16.629 -9.752 23 HA SER 6 HA SER 6 -3.556 -17.922 -11.287 24 HB2 SER 6 1HB SER 6 -2.798 -17.918 -8.397 25 HB3 SER 6 2HB SER 6 -4.495 -18.143 -8.819 26 HG SER 6 HG SER 6 -3.494 -20.146 -8.730 27 H GLY 7 H GLY 7 -5.821 -17.277 -10.491 28 HA2 GLY 7 1HA GLY 7 -5.998 -14.382 -10.748 29 HA3 GLY 7 2HA GLY 7 -7.328 -15.525 -10.877 30 H THR 8 H THR 8 -4.941 -14.878 -8.314 31 HA THR 8 HA THR 8 -7.146 -14.126 -6.530 32 HB THR 8 HB THR 8 -6.876 -16.356 -5.861 33 HG1 THR 8 1HG THR 8 -6.278 -16.054 -3.800 34 HG21 THR 8 1HG2 THR 8 -4.916 -17.587 -5.840 35 HG22 THR 8 2HG2 THR 8 -3.900 -16.160 -5.631 36 HG23 THR 8 3HG2 THR 8 -4.637 -16.496 -7.197 37 H GLN 9 H GLN 9 -6.314 -13.156 -4.460 38 HA GLN 9 HA GLN 9 -4.041 -11.413 -5.090 39 HB2 GLN 9 1HB GLN 9 -6.209 -11.111 -3.006 40 HB3 GLN 9 2HB GLN 9 -4.926 -9.949 -3.313 41 HG2 GLN 9 1HG GLN 9 -6.689 -9.037 -4.467 42 HG3 GLN 9 2HG GLN 9 -5.854 -9.940 -5.731 43 HE21 GLN 9 1HE2 GLN 9 -7.940 -9.796 -6.810 44 HE22 GLN 9 2HE2 GLN 9 -9.154 -10.971 -6.447 45 H GLU 10 H GLU 10 -3.875 -14.207 -4.052 46 HA GLU 10 HA GLU 10 -3.110 -14.143 -1.327 47 HB2 GLU 10 1HB GLU 10 -3.742 -16.199 -2.607 48 HB3 GLU 10 2HB GLU 10 -2.199 -16.095 -3.445 49 HG2 GLU 10 1HG GLU 10 -1.029 -16.334 -1.308 50 HG3 GLU 10 2HG GLU 10 -2.580 -16.465 -0.483 51 H GLU 11 H GLU 11 -1.249 -13.977 -4.343 52 HA GLU 11 HA GLU 11 1.281 -13.789 -3.047 53 HB2 GLU 11 1HB GLU 11 2.195 -13.406 -5.208 54 HB3 GLU 11 2HB GLU 11 0.887 -14.561 -5.416 55 HG2 GLU 11 1HG GLU 11 0.482 -11.622 -5.834 56 HG3 GLU 11 2HG GLU 11 1.080 -12.677 -7.113 57 H LEU 12 H LEU 12 -1.160 -11.500 -3.983 58 HA LEU 12 HA LEU 12 0.527 -9.188 -3.786 59 HB2 LEU 12 1HB LEU 12 -1.350 -9.021 -5.218 60 HB3 LEU 12 2HB LEU 12 -2.449 -9.575 -3.957 61 HG LEU 12 HG LEU 12 -1.878 -7.418 -2.731 62 HD11 LEU 12 1HD1 LEU 12 -0.320 -6.096 -3.582 63 HD12 LEU 12 2HD1 LEU 12 -1.323 -5.856 -5.013 64 HD13 LEU 12 3HD1 LEU 12 -0.138 -7.162 -4.975 65 HD21 LEU 12 1HD2 LEU 12 -3.787 -6.573 -3.547 66 HD22 LEU 12 2HD2 LEU 12 -3.843 -8.049 -4.512 67 HD23 LEU 12 3HD2 LEU 12 -3.189 -6.564 -5.207 68 H LEU 13 H LEU 13 -2.095 -10.517 -1.771 69 HA LEU 13 HA LEU 13 -1.955 -8.684 0.310 70 HB2 LEU 13 1HB LEU 13 -3.785 -10.171 0.240 71 HB3 LEU 13 2HB LEU 13 -2.733 -11.584 0.241 72 HG LEU 13 HG LEU 13 -2.071 -10.908 2.599 73 HD11 LEU 13 1HD1 LEU 13 -2.894 -8.596 2.465 74 HD12 LEU 13 2HD1 LEU 13 -3.603 -9.483 3.814 75 HD13 LEU 13 3HD1 LEU 13 -4.545 -9.203 2.350 76 HD21 LEU 13 1HD2 LEU 13 -4.928 -11.466 2.802 77 HD22 LEU 13 2HD2 LEU 13 -3.543 -12.430 3.316 78 HD23 LEU 13 3HD2 LEU 13 -4.090 -12.496 1.641 79 H ARG 14 H ARG 14 -0.458 -11.923 0.232 80 HA ARG 14 HA ARG 14 0.985 -11.778 2.571 81 HB2 ARG 14 1HB ARG 14 1.452 -13.203 -0.022 82 HB3 ARG 14 2HB ARG 14 2.673 -13.275 1.241 83 HG2 ARG 14 1HG ARG 14 1.046 -14.221 2.782 84 HG3 ARG 14 2HG ARG 14 -0.203 -14.116 1.540 85 HD2 ARG 14 1HD ARG 14 2.328 -15.747 1.360 86 HD3 ARG 14 2HD ARG 14 0.723 -16.380 1.723 87 HE ARG 14 HE ARG 14 0.404 -15.096 -0.655 88 HH11 ARG 14 2HH1 ARG 14 2.551 -17.577 0.509 89 HH12 ARG 14 1HH1 ARG 14 2.718 -18.340 -1.038 90 HH21 ARG 14 2HH2 ARG 14 0.616 -16.091 -2.696 91 HH22 ARG 14 1HH2 ARG 14 1.618 -17.493 -2.860 92 H TRP 15 H TRP 15 2.150 -10.898 -0.683 93 HA TRP 15 HA TRP 15 4.680 -10.038 -0.054 94 HB2 TRP 15 1HB TRP 15 3.929 -10.163 -2.351 95 HB3 TRP 15 2HB TRP 15 2.751 -8.883 -2.077 96 HD1 TRP 15 HD TRP 15 6.596 -9.352 -2.139 97 HE1 TRP 15 1HE TRP 15 7.655 -7.128 -2.885 98 HE3 TRP 15 3HE TRP 15 2.370 -6.486 -2.394 99 HZ2 TRP 15 2HZ TRP 15 6.812 -4.506 -3.499 100 HZ3 TRP 15 3HZ TRP 15 2.584 -4.129 -3.068 101 HH2 TRP 15 HH TRP 15 4.759 -3.161 -3.608 102 H CYS 16 H CYS 16 1.711 -8.072 -0.039 103 HA CYS 16 HA CYS 16 2.909 -5.689 0.833 104 HB2 CYS 16 1HB CYS 16 0.081 -6.709 1.128 105 HB3 CYS 16 2HB CYS 16 0.576 -5.078 1.568 106 HG CYS 16 HG CYS 16 -0.330 -6.228 -1.355 107 H GLN 17 H GLN 17 1.437 -8.358 2.632 108 HA GLN 17 HA GLN 17 1.457 -7.289 5.181 109 HB2 GLN 17 1HB GLN 17 1.872 -10.113 4.219 110 HB3 GLN 17 2HB GLN 17 1.787 -9.708 5.929 111 HG2 GLN 17 1HG GLN 17 -0.453 -8.833 5.637 112 HG3 GLN 17 2HG GLN 17 -0.372 -9.154 3.905 113 HE21 GLN 17 1HE2 GLN 17 -2.393 -10.171 5.467 114 HE22 GLN 17 2HE2 GLN 17 -2.229 -11.887 5.573 115 H GLU 18 H GLU 18 4.072 -8.969 3.472 116 HA GLU 18 HA GLU 18 5.922 -8.898 5.605 117 HB2 GLU 18 1HB GLU 18 6.280 -9.161 2.622 118 HB3 GLU 18 2HB GLU 18 7.626 -9.232 3.751 119 HG2 GLU 18 1HG GLU 18 5.250 -11.050 3.970 120 HG3 GLU 18 2HG GLU 18 6.652 -11.436 2.973 121 H GLN 19 H GLN 19 5.265 -6.692 2.929 122 HA GLN 19 HA GLN 19 7.453 -4.962 3.375 123 HB2 GLN 19 1HB GLN 19 4.784 -4.509 2.041 124 HB3 GLN 19 2HB GLN 19 6.075 -3.314 2.057 125 HG2 GLN 19 1HG GLN 19 5.948 -5.941 0.647 126 HG3 GLN 19 2HG GLN 19 6.345 -4.345 0.012 127 HE21 GLN 19 1HE2 GLN 19 7.670 -7.166 0.348 128 HE22 GLN 19 2HE2 GLN 19 9.290 -6.757 0.783 129 H THR 20 H THR 20 4.006 -4.518 4.181 130 HA THR 20 HA THR 20 4.341 -2.196 5.706 131 HB THR 20 HB THR 20 2.133 -2.720 6.697 132 HG1 THR 20 1HG THR 20 2.739 -5.224 5.612 133 HG21 THR 20 1HG2 THR 20 2.634 -2.824 3.765 134 HG22 THR 20 2HG2 THR 20 1.794 -1.606 4.725 135 HG23 THR 20 3HG2 THR 20 0.996 -3.130 4.339 136 H ALA 21 H ALA 21 4.341 -5.606 6.659 137 HA ALA 21 HA ALA 21 4.262 -5.617 9.329 138 HB1 ALA 21 1HB ALA 21 4.780 -7.707 8.704 139 HB2 ALA 21 2HB ALA 21 5.792 -7.163 7.366 140 HB3 ALA 21 3HB ALA 21 6.445 -7.207 9.003 141 H GLY 22 H GLY 22 5.399 -4.916 11.064 142 HA2 GLY 22 1HA GLY 22 7.469 -4.276 12.120 143 HA3 GLY 22 2HA GLY 22 8.012 -3.645 10.572 144 H TYR 23 H TYR 23 6.100 -2.009 9.732 145 HA TYR 23 HA TYR 23 6.483 0.366 10.993 146 HB2 TYR 23 1HB TYR 23 5.319 -0.037 8.779 147 HB3 TYR 23 2HB TYR 23 3.852 -0.355 9.697 148 HD1 TYR 23 2HD TYR 23 3.455 1.592 11.587 149 HD2 TYR 23 1HD TYR 23 5.450 2.065 7.860 150 HE1 TYR 23 2HE TYR 23 2.955 3.999 11.631 151 HE2 TYR 23 1HE TYR 23 4.957 4.474 7.893 152 HH TYR 23 HH TYR 23 2.821 5.878 10.251 153 HA PRO 24 HA PRO 24 4.391 0.045 14.875 154 HB2 PRO 24 1HB PRO 24 4.482 2.677 15.536 155 HB3 PRO 24 2HB PRO 24 5.892 1.615 15.626 156 HG2 PRO 24 1HG PRO 24 5.124 3.563 13.489 157 HG3 PRO 24 2HG PRO 24 6.717 3.261 14.208 158 HD2 PRO 24 1HD PRO 24 5.984 2.245 11.806 159 HD3 PRO 24 2HD PRO 24 7.088 1.395 12.907 160 H GLY 25 H GLY 25 2.285 -0.512 14.336 161 HA2 GLY 25 1HA GLY 25 0.024 0.180 14.728 162 HA3 GLY 25 2HA GLY 25 0.441 1.769 14.103 163 H VAL 26 H VAL 26 1.148 -1.387 12.666 164 HA VAL 26 HA VAL 26 -0.883 -0.976 10.621 165 HB VAL 26 HB VAL 26 2.052 -1.189 9.935 166 HG11 VAL 26 1HG1 VAL 26 0.666 -2.530 8.429 167 HG12 VAL 26 2HG1 VAL 26 -0.350 -1.122 8.110 168 HG13 VAL 26 3HG1 VAL 26 1.340 -1.125 7.604 169 HG21 VAL 26 1HG2 VAL 26 1.243 1.060 10.632 170 HG22 VAL 26 2HG2 VAL 26 1.821 0.996 8.967 171 HG23 VAL 26 3HG2 VAL 26 0.089 1.010 9.300 172 H HIS 27 H HIS 27 -1.918 -2.857 10.633 173 HA HIS 27 HA HIS 27 -0.331 -5.327 10.499 174 HB2 HIS 27 1HB HIS 27 -1.057 -5.441 12.713 175 HB3 HIS 27 2HB HIS 27 -2.604 -4.680 12.350 176 HD1 HIS 27 1HD HIS 27 -3.974 -6.568 13.407 177 HD2 HIS 27 2HD HIS 27 -1.475 -7.835 10.339 178 HE1 HIS 27 1HE HIS 27 -4.699 -8.917 12.876 179 HE2 HIS 27 2HE HIS 27 -3.118 -9.693 11.076 180 H VAL 28 H VAL 28 -0.754 -5.045 8.193 181 HA VAL 28 HA VAL 28 -3.359 -5.054 7.105 182 HB VAL 28 HB VAL 28 -0.741 -5.961 5.904 183 HG11 VAL 28 1HG1 VAL 28 -2.219 -5.383 3.761 184 HG12 VAL 28 2HG1 VAL 28 -2.141 -7.005 4.453 185 HG13 VAL 28 3HG1 VAL 28 -3.501 -5.947 4.833 186 HG21 VAL 28 1HG2 VAL 28 -0.725 -3.621 6.440 187 HG22 VAL 28 2HG2 VAL 28 -0.910 -3.793 4.695 188 HG23 VAL 28 3HG2 VAL 28 -2.306 -3.394 5.695 189 H SER 29 H SER 29 -4.641 -6.628 8.023 190 HA SER 29 HA SER 29 -3.772 -9.406 7.930 191 HB2 SER 29 1HB SER 29 -4.893 -8.693 9.959 192 HB3 SER 29 2HB SER 29 -6.280 -8.118 9.035 193 HG SER 29 HG SER 29 -5.775 -10.587 9.956 194 H ASP 30 H ASP 30 -5.594 -7.203 6.073 195 HA ASP 30 HA ASP 30 -6.021 -9.030 3.977 196 HB2 ASP 30 1HB ASP 30 -8.664 -8.707 4.209 197 HB3 ASP 30 2HB ASP 30 -7.819 -10.083 4.914 198 H LEU 31 H LEU 31 -7.096 -8.061 2.140 199 HA LEU 31 HA LEU 31 -6.675 -5.201 2.068 200 HB2 LEU 31 1HB LEU 31 -7.793 -6.764 -0.216 201 HB3 LEU 31 2HB LEU 31 -6.715 -5.370 -0.236 202 HG LEU 31 HG LEU 31 -5.693 -7.941 0.868 203 HD11 LEU 31 1HD1 LEU 31 -6.750 -8.681 -1.163 204 HD12 LEU 31 2HD1 LEU 31 -5.005 -8.620 -1.410 205 HD13 LEU 31 3HD1 LEU 31 -6.035 -7.348 -2.068 206 HD21 LEU 31 1HD2 LEU 31 -4.578 -5.524 0.588 207 HD22 LEU 31 2HD2 LEU 31 -4.173 -6.209 -0.986 208 HD23 LEU 31 3HD2 LEU 31 -3.657 -7.025 0.490 209 H SER 32 H SER 32 -8.852 -6.114 3.707 210 HA SER 32 HA SER 32 -11.246 -5.351 2.217 211 HB2 SER 32 1HB SER 32 -10.717 -6.742 4.798 212 HB3 SER 32 2HB SER 32 -12.220 -5.832 4.658 213 HG SER 32 HG SER 32 -11.504 -7.558 2.576 214 H SER 33 H SER 33 -10.275 -4.611 5.554 215 HA SER 33 HA SER 33 -10.886 -1.779 5.007 216 HB2 SER 33 1HB SER 33 -11.360 -3.332 7.562 217 HB3 SER 33 2HB SER 33 -11.646 -1.604 7.356 218 HG SER 33 HG SER 33 -12.847 -3.316 5.520 219 H SER 34 H SER 34 -8.738 -4.083 6.465 220 HA SER 34 HA SER 34 -7.207 -2.626 8.184 221 HB2 SER 34 1HB SER 34 -6.613 -4.853 6.301 222 HB3 SER 34 2HB SER 34 -5.237 -4.012 7.015 223 HG SER 34 HG SER 34 -6.520 -4.374 9.072 224 H TRP 35 H TRP 35 -7.371 -2.317 4.722 225 HA TRP 35 HA TRP 35 -5.073 -0.524 4.649 226 HB2 TRP 35 1HB TRP 35 -6.880 -1.575 2.464 227 HB3 TRP 35 2HB TRP 35 -5.535 -0.471 2.188 228 HD1 TRP 35 HD TRP 35 -6.129 -4.036 3.598 229 HE1 TRP 35 1HE TRP 35 -4.045 -5.452 3.071 230 HE3 TRP 35 3HE TRP 35 -3.203 -0.418 1.479 231 HZ2 TRP 35 2HZ TRP 35 -1.499 -5.084 1.912 232 HZ3 TRP 35 3HZ TRP 35 -0.956 -1.032 0.688 233 HH2 TRP 35 HH TRP 35 -0.122 -3.318 0.901 234 H ALA 36 H ALA 36 -8.514 -0.420 4.781 235 HA ALA 36 HA ALA 36 -8.768 2.259 3.757 236 HB1 ALA 36 1HB ALA 36 -11.110 1.848 5.013 237 HB2 ALA 36 2HB ALA 36 -10.756 1.254 3.392 238 HB3 ALA 36 3HB ALA 36 -10.591 0.179 4.780 239 H ASP 37 H ASP 37 -6.860 2.209 5.768 240 HA ASP 37 HA ASP 37 -8.207 3.736 7.897 241 HB2 ASP 37 1HB ASP 37 -5.763 1.976 8.198 242 HB3 ASP 37 2HB ASP 37 -6.502 2.940 9.475 243 H GLY 38 H GLY 38 -5.546 3.467 5.676 244 HA2 GLY 38 1HA GLY 38 -4.669 5.580 4.804 245 HA3 GLY 38 2HA GLY 38 -4.709 6.191 6.451 246 H LEU 39 H LEU 39 -3.420 4.618 8.006 247 HA LEU 39 HA LEU 39 -0.731 4.925 7.459 248 HB2 LEU 39 1HB LEU 39 -2.299 3.285 9.368 249 HB3 LEU 39 2HB LEU 39 -0.594 2.886 9.166 250 HG LEU 39 HG LEU 39 -1.602 5.623 9.930 251 HD11 LEU 39 1HD1 LEU 39 -1.597 5.074 12.103 252 HD12 LEU 39 2HD1 LEU 39 -0.211 3.998 11.935 253 HD13 LEU 39 3HD1 LEU 39 -1.825 3.430 11.511 254 HD21 LEU 39 1HD2 LEU 39 1.147 4.543 10.394 255 HD22 LEU 39 2HD2 LEU 39 0.606 6.217 10.259 256 HD23 LEU 39 3HD2 LEU 39 0.709 5.204 8.819 257 H ALA 40 H ALA 40 -2.686 1.971 7.119 258 HA ALA 40 HA ALA 40 -0.970 0.074 6.378 259 HB1 ALA 40 1HB ALA 40 -2.713 -0.466 4.477 260 HB2 ALA 40 2HB ALA 40 -3.137 -0.628 6.181 261 HB3 ALA 40 3HB ALA 40 -3.637 0.804 5.279 262 H LEU 41 H LEU 41 -2.309 2.251 3.882 263 HA LEU 41 HA LEU 41 -0.521 1.526 1.868 264 HB2 LEU 41 1HB LEU 41 -2.309 3.845 2.363 265 HB3 LEU 41 2HB LEU 41 -1.100 3.992 1.089 266 HG LEU 41 HG LEU 41 -3.082 1.731 1.181 267 HD11 LEU 41 1HD1 LEU 41 -3.411 4.528 0.234 268 HD12 LEU 41 2HD1 LEU 41 -4.586 3.433 0.961 269 HD13 LEU 41 3HD1 LEU 41 -4.116 3.227 -0.725 270 HD21 LEU 41 1HD2 LEU 41 -1.790 2.878 -1.255 271 HD22 LEU 41 2HD2 LEU 41 -2.399 1.248 -0.967 272 HD23 LEU 41 3HD2 LEU 41 -0.886 1.769 -0.223 273 H CYS 42 H CYS 42 -0.275 3.960 4.393 274 HA CYS 42 HA CYS 42 1.939 5.372 3.451 275 HB2 CYS 42 1HB CYS 42 1.319 4.774 6.349 276 HB3 CYS 42 2HB CYS 42 2.245 6.133 5.723 277 HG CYS 42 HG CYS 42 -0.900 5.906 4.562 278 H ALA 43 H ALA 43 1.850 2.612 5.702 279 HA ALA 43 HA ALA 43 4.588 2.319 6.072 280 HB1 ALA 43 1HB ALA 43 3.773 -0.240 6.255 281 HB2 ALA 43 2HB ALA 43 3.524 0.960 7.525 282 HB3 ALA 43 3HB ALA 43 2.223 0.589 6.393 283 H LEU 44 H LEU 44 2.498 0.725 3.669 284 HA LEU 44 HA LEU 44 4.405 -0.833 2.407 285 HB2 LEU 44 1HB LEU 44 2.137 -1.156 1.846 286 HB3 LEU 44 2HB LEU 44 1.934 0.529 1.373 287 HG LEU 44 HG LEU 44 3.603 -0.030 -0.515 288 HD11 LEU 44 1HD1 LEU 44 3.086 -2.555 -1.131 289 HD12 LEU 44 2HD1 LEU 44 3.010 -2.704 0.624 290 HD13 LEU 44 3HD1 LEU 44 4.475 -2.097 -0.147 291 HD21 LEU 44 1HD2 LEU 44 0.792 -0.179 -0.280 292 HD22 LEU 44 2HD2 LEU 44 1.300 -1.512 -1.317 293 HD23 LEU 44 3HD2 LEU 44 1.751 0.144 -1.724 294 H VAL 45 H VAL 45 3.429 2.499 1.621 295 HA VAL 45 HA VAL 45 5.228 2.853 -0.517 296 HB VAL 45 HB VAL 45 4.050 4.943 1.319 297 HG11 VAL 45 1HG1 VAL 45 4.958 6.557 0.052 298 HG12 VAL 45 2HG1 VAL 45 6.106 5.305 -0.428 299 HG13 VAL 45 3HG1 VAL 45 4.709 5.659 -1.445 300 HG21 VAL 45 1HG2 VAL 45 2.824 4.966 -1.211 301 HG22 VAL 45 2HG2 VAL 45 2.879 3.279 -0.700 302 HG23 VAL 45 3HG2 VAL 45 2.112 4.487 0.330 303 H TYR 46 H TYR 46 5.440 4.325 2.728 304 HA TYR 46 HA TYR 46 7.968 5.323 2.625 305 HB2 TYR 46 1HB TYR 46 6.482 4.054 4.917 306 HB3 TYR 46 2HB TYR 46 8.069 4.782 5.133 307 HD1 TYR 46 1HD TYR 46 8.218 7.238 3.994 308 HD2 TYR 46 2HD TYR 46 4.679 5.378 5.451 309 HE1 TYR 46 1HE TYR 46 7.172 9.449 4.259 310 HE2 TYR 46 2HE TYR 46 3.624 7.583 5.718 311 HH TYR 46 HH TYR 46 5.402 10.516 5.459 312 H ARG 47 H ARG 47 7.172 2.065 3.846 313 HA ARG 47 HA ARG 47 9.676 1.093 4.323 314 HB2 ARG 47 1HB ARG 47 7.609 -0.161 4.770 315 HB3 ARG 47 2HB ARG 47 7.393 -0.421 3.044 316 HG2 ARG 47 1HG ARG 47 8.352 -2.400 3.595 317 HG3 ARG 47 2HG ARG 47 9.815 -1.466 3.272 318 HD2 ARG 47 1HD ARG 47 10.062 -1.001 5.647 319 HD3 ARG 47 2HD ARG 47 8.568 -1.874 5.988 320 HE ARG 47 HE ARG 47 10.519 -3.468 4.619 321 HH11 ARG 47 2HH1 ARG 47 9.470 -2.306 7.729 322 HH12 ARG 47 1HH1 ARG 47 10.184 -3.618 8.605 323 HH21 ARG 47 2HH2 ARG 47 11.462 -5.201 5.762 324 HH22 ARG 47 1HH2 ARG 47 11.318 -5.265 7.485 325 H LEU 48 H LEU 48 7.949 0.654 1.229 326 HA LEU 48 HA LEU 48 9.764 -0.552 -0.320 327 HB2 LEU 48 1HB LEU 48 7.878 1.677 -0.881 328 HB3 LEU 48 2HB LEU 48 9.029 1.224 -2.136 329 HG LEU 48 HG LEU 48 7.158 -0.761 -0.865 330 HD11 LEU 48 1HD1 LEU 48 5.804 1.005 -1.837 331 HD12 LEU 48 2HD1 LEU 48 5.710 -0.458 -2.817 332 HD13 LEU 48 3HD1 LEU 48 6.711 0.895 -3.346 333 HD21 LEU 48 1HD2 LEU 48 9.216 -0.813 -2.931 334 HD22 LEU 48 2HD2 LEU 48 7.678 -1.500 -3.456 335 HD23 LEU 48 3HD2 LEU 48 8.485 -2.135 -2.022 336 H GLN 49 H GLN 49 9.720 3.004 -0.010 337 HA GLN 49 HA GLN 49 12.616 2.980 -0.551 338 HB2 GLN 49 1HB GLN 49 10.850 4.096 -2.196 339 HB3 GLN 49 2HB GLN 49 11.000 5.430 -1.060 340 HG2 GLN 49 1HG GLN 49 13.481 4.198 -2.136 341 HG3 GLN 49 2HG GLN 49 12.533 5.251 -3.185 342 HE21 GLN 49 1HE2 GLN 49 11.701 7.244 -1.723 343 HE22 GLN 49 2HE2 GLN 49 12.997 8.095 -0.964 344 HA PRO 50 HA PRO 50 12.547 4.553 3.672 345 HB2 PRO 50 1HB PRO 50 15.213 4.231 4.069 346 HB3 PRO 50 2HB PRO 50 14.055 2.900 4.193 347 HG2 PRO 50 1HG PRO 50 15.852 3.641 1.916 348 HG3 PRO 50 2HG PRO 50 15.494 2.037 2.583 349 HD2 PRO 50 1HD PRO 50 14.318 2.975 0.330 350 HD3 PRO 50 2HD PRO 50 13.491 1.878 1.454 351 H GLY 51 H GLY 51 14.560 5.541 0.972 352 HA2 GLY 51 1HA GLY 51 15.833 7.763 2.062 353 HA3 GLY 51 2HA GLY 51 15.395 7.592 0.369 354 H LEU 52 H LEU 52 12.574 7.478 0.732 355 HA LEU 52 HA LEU 52 11.946 10.210 0.671 356 HB2 LEU 52 1HB LEU 52 10.384 7.681 0.761 357 HB3 LEU 52 2HB LEU 52 9.539 9.193 1.085 358 HG LEU 52 HG LEU 52 11.195 9.038 -1.376 359 HD11 LEU 52 1HD1 LEU 52 9.486 6.965 -0.881 360 HD12 LEU 52 2HD1 LEU 52 9.961 7.537 -2.480 361 HD13 LEU 52 3HD1 LEU 52 8.456 8.099 -1.754 362 HD21 LEU 52 1HD2 LEU 52 8.855 10.516 -0.337 363 HD22 LEU 52 2HD2 LEU 52 8.879 10.182 -2.069 364 HD23 LEU 52 3HD2 LEU 52 10.207 11.075 -1.322 365 H LEU 53 H LEU 53 10.616 11.456 2.102 366 HA LEU 53 HA LEU 53 11.453 11.608 4.703 367 HB2 LEU 53 1HB LEU 53 9.598 13.048 5.134 368 HB3 LEU 53 2HB LEU 53 10.156 13.331 3.486 369 HG LEU 53 HG LEU 53 7.883 13.367 3.194 370 HD11 LEU 53 1HD1 LEU 53 8.782 11.699 1.696 371 HD12 LEU 53 2HD1 LEU 53 7.172 11.215 2.227 372 HD13 LEU 53 3HD1 LEU 53 8.598 10.450 2.928 373 HD21 LEU 53 1HD2 LEU 53 7.313 12.853 5.513 374 HD22 LEU 53 2HD2 LEU 53 7.624 11.142 5.216 375 HD23 LEU 53 3HD2 LEU 53 6.293 11.953 4.390 376 H GLU 54 H GLU 54 9.811 11.469 6.644 377 HA GLU 54 HA GLU 54 8.755 8.718 6.646 378 HB2 GLU 54 1HB GLU 54 10.155 10.350 8.724 379 HB3 GLU 54 2HB GLU 54 9.012 9.116 9.238 380 HG2 GLU 54 1HG GLU 54 11.281 8.533 7.362 381 HG3 GLU 54 2HG GLU 54 11.442 8.438 9.115 382 HA PRO 55 HA PRO 55 4.705 10.116 7.585 383 HB2 PRO 55 1HB PRO 55 3.851 8.257 9.369 384 HB3 PRO 55 2HB PRO 55 4.065 7.911 7.649 385 HG2 PRO 55 1HG PRO 55 5.891 7.311 9.944 386 HG3 PRO 55 2HG PRO 55 5.453 6.285 8.566 387 HD2 PRO 55 1HD PRO 55 7.788 7.649 8.681 388 HD3 PRO 55 2HD PRO 55 6.944 7.329 7.152 389 H SER 56 H SER 56 7.155 10.566 9.666 390 HA SER 56 HA SER 56 6.439 10.873 12.206 391 HB2 SER 56 1HB SER 56 7.692 13.045 12.262 392 HB3 SER 56 2HB SER 56 8.551 11.746 11.435 393 HG SER 56 HG SER 56 7.028 13.053 9.671 394 H GLU 57 H GLU 57 5.121 12.758 9.556 395 HA GLU 57 HA GLU 57 3.549 14.416 11.350 396 HB2 GLU 57 1HB GLU 57 3.593 14.297 8.329 397 HB3 GLU 57 2HB GLU 57 2.745 15.497 9.294 398 HG2 GLU 57 1HG GLU 57 4.856 16.310 10.174 399 HG3 GLU 57 2HG GLU 57 5.725 15.082 9.256 400 H LEU 58 H LEU 58 3.042 11.850 8.969 401 HA LEU 58 HA LEU 58 0.272 11.800 8.911 402 HB2 LEU 58 1HB LEU 58 2.399 9.759 8.504 403 HB3 LEU 58 2HB LEU 58 0.725 9.218 8.612 404 HG LEU 58 HG LEU 58 0.181 10.748 6.719 405 HD11 LEU 58 1HD1 LEU 58 2.382 11.271 5.362 406 HD12 LEU 58 2HD1 LEU 58 3.087 11.312 6.977 407 HD13 LEU 58 3HD1 LEU 58 1.754 12.392 6.570 408 HD21 LEU 58 1HD2 LEU 58 0.470 8.997 5.378 409 HD22 LEU 58 2HD2 LEU 58 1.351 8.230 6.699 410 HD23 LEU 58 3HD2 LEU 58 2.227 9.134 5.464 411 H GLN 59 H GLN 59 2.481 10.597 11.338 412 HA GLN 59 HA GLN 59 0.926 8.840 12.762 413 HB2 GLN 59 1HB GLN 59 2.343 9.202 14.590 414 HB3 GLN 59 2HB GLN 59 3.336 9.613 13.199 415 HG2 GLN 59 1HG GLN 59 2.835 11.994 13.579 416 HG3 GLN 59 2HG GLN 59 1.922 11.547 15.019 417 HE21 GLN 59 1HE2 GLN 59 3.518 13.075 15.961 418 HE22 GLN 59 2HE2 GLN 59 5.024 12.428 16.505 419 H GLY 60 H GLY 60 0.861 12.374 12.869 420 HA2 GLY 60 1HA GLY 60 -1.467 12.225 14.671 421 HA3 GLY 60 2HA GLY 60 -0.432 13.633 14.473 422 H LEU 61 H LEU 61 -1.759 11.655 11.874 423 HA LEU 61 HA LEU 61 -3.337 13.992 11.018 424 HB2 LEU 61 1HB LEU 61 -1.668 12.040 9.514 425 HB3 LEU 61 2HB LEU 61 -3.095 12.706 8.724 426 HG LEU 61 HG LEU 61 -0.821 14.343 9.842 427 HD11 LEU 61 1HD1 LEU 61 -0.846 14.695 7.128 428 HD12 LEU 61 2HD1 LEU 61 -1.184 12.973 7.292 429 HD13 LEU 61 3HD1 LEU 61 0.270 13.657 8.018 430 HD21 LEU 61 1HD2 LEU 61 -2.455 15.624 7.861 431 HD22 LEU 61 2HD2 LEU 61 -2.096 16.129 9.512 432 HD23 LEU 61 3HD2 LEU 61 -3.456 15.050 9.194 433 H GLY 62 H GLY 62 -5.321 13.538 9.850 434 HA2 GLY 62 1HA GLY 62 -6.936 11.635 11.159 435 HA3 GLY 62 2HA GLY 62 -7.383 12.540 9.721 436 H ALA 63 H ALA 63 -8.090 9.838 10.255 437 HA ALA 63 HA ALA 63 -6.572 7.837 9.197 438 HB1 ALA 63 1HB ALA 63 -9.417 7.913 8.345 439 HB2 ALA 63 2HB ALA 63 -8.481 6.598 9.059 440 HB3 ALA 63 3HB ALA 63 -9.066 7.918 10.073 441 H LEU 64 H LEU 64 -8.444 10.245 7.409 442 HA LEU 64 HA LEU 64 -7.759 9.105 4.850 443 HB2 LEU 64 1HB LEU 64 -9.847 10.543 5.620 444 HB3 LEU 64 2HB LEU 64 -8.811 11.873 5.107 445 HG LEU 64 HG LEU 64 -8.689 10.919 2.860 446 HD11 LEU 64 1HD1 LEU 64 -9.199 8.806 2.432 447 HD12 LEU 64 2HD1 LEU 64 -10.840 9.039 3.035 448 HD13 LEU 64 3HD1 LEU 64 -9.551 8.573 4.145 449 HD21 LEU 64 1HD2 LEU 64 -10.699 12.348 3.870 450 HD22 LEU 64 2HD2 LEU 64 -11.601 10.908 3.398 451 HD23 LEU 64 3HD2 LEU 64 -10.671 11.801 2.194 452 H GLU 65 H GLU 65 -6.928 12.070 6.631 453 HA GLU 65 HA GLU 65 -5.328 13.406 4.930 454 HB2 GLU 65 1HB GLU 65 -4.987 12.858 7.862 455 HB3 GLU 65 2HB GLU 65 -3.813 13.839 6.996 456 HG2 GLU 65 1HG GLU 65 -6.750 14.394 7.329 457 HG3 GLU 65 2HG GLU 65 -5.405 15.279 8.050 458 H ALA 66 H ALA 66 -4.412 10.483 6.697 459 HA ALA 66 HA ALA 66 -1.717 10.417 5.858 460 HB1 ALA 66 1HB ALA 66 -1.568 8.438 6.974 461 HB2 ALA 66 2HB ALA 66 -3.049 9.060 7.703 462 HB3 ALA 66 3HB ALA 66 -3.139 7.870 6.405 463 H THR 67 H THR 67 -4.577 8.663 4.657 464 HA THR 67 HA THR 67 -3.435 7.213 2.624 465 HB THR 67 HB THR 67 -6.108 8.604 2.392 466 HG1 THR 67 1HG THR 67 -6.365 7.498 4.228 467 HG21 THR 67 1HG2 THR 67 -6.718 6.746 0.977 468 HG22 THR 67 2HG2 THR 67 -5.160 5.970 1.263 469 HG23 THR 67 3HG2 THR 67 -5.240 7.478 0.354 470 H ALA 68 H ALA 68 -4.520 10.587 2.523 471 HA ALA 68 HA ALA 68 -4.248 11.184 -0.132 472 HB1 ALA 68 1HB ALA 68 -3.786 13.480 0.530 473 HB2 ALA 68 2HB ALA 68 -5.038 12.775 1.553 474 HB3 ALA 68 3HB ALA 68 -3.392 12.943 2.163 475 H TRP 69 H TRP 69 -1.649 11.366 2.304 476 HA TRP 69 HA TRP 69 0.418 12.130 0.624 477 HB2 TRP 69 1HB TRP 69 0.699 12.120 3.026 478 HB3 TRP 69 2HB TRP 69 0.496 10.371 3.083 479 HD1 TRP 69 HD TRP 69 3.045 13.055 2.078 480 HE1 TRP 69 1HE TRP 69 5.367 11.957 1.917 481 HE3 TRP 69 3HE TRP 69 1.674 8.167 2.682 482 HZ2 TRP 69 2HZ TRP 69 6.471 9.361 2.029 483 HZ3 TRP 69 3HZ TRP 69 3.424 6.438 2.643 484 HH2 TRP 69 HH TRP 69 5.773 7.024 2.322 485 H ALA 70 H ALA 70 -0.227 8.796 1.730 486 HA ALA 70 HA ALA 70 1.538 7.358 0.307 487 HB1 ALA 70 1HB ALA 70 -1.321 6.469 0.267 488 HB2 ALA 70 2HB ALA 70 0.143 5.512 0.497 489 HB3 ALA 70 3HB ALA 70 -0.429 6.573 1.785 490 H LEU 71 H LEU 71 -1.683 8.140 -1.025 491 HA LEU 71 HA LEU 71 -1.248 7.236 -3.603 492 HB2 LEU 71 1HB LEU 71 -2.991 9.421 -2.513 493 HB3 LEU 71 2HB LEU 71 -2.976 9.020 -4.229 494 HG LEU 71 HG LEU 71 -3.508 6.863 -2.234 495 HD11 LEU 71 1HD1 LEU 71 -5.803 7.384 -2.073 496 HD12 LEU 71 2HD1 LEU 71 -5.676 8.665 -3.278 497 HD13 LEU 71 3HD1 LEU 71 -4.941 8.874 -1.690 498 HD21 LEU 71 1HD2 LEU 71 -3.239 6.754 -4.868 499 HD22 LEU 71 2HD2 LEU 71 -4.941 7.214 -4.811 500 HD23 LEU 71 3HD2 LEU 71 -4.397 5.741 -4.006 501 H LYS 72 H LYS 72 -0.212 10.194 -2.081 502 HA LYS 72 HA LYS 72 0.507 11.528 -4.515 503 HB2 LYS 72 1HB LYS 72 -0.039 12.575 -2.216 504 HB3 LYS 72 2HB LYS 72 1.624 12.184 -1.799 505 HG2 LYS 72 1HG LYS 72 2.238 13.467 -3.943 506 HG3 LYS 72 2HG LYS 72 0.599 14.115 -3.842 507 HD2 LYS 72 1HD LYS 72 1.672 15.705 -2.620 508 HD3 LYS 72 2HD LYS 72 1.355 14.548 -1.325 509 HE2 LYS 72 1HE LYS 72 3.857 14.200 -2.876 510 HE3 LYS 72 2HE LYS 72 3.773 15.580 -1.781 511 HZ1 LYS 72 1HZ LYS 72 3.803 14.263 0.026 512 HZ2 LYS 72 2HZ LYS 72 4.545 13.161 -1.020 513 HZ3 LYS 72 3HZ LYS 72 2.890 13.035 -0.695 514 H VAL 73 H VAL 73 2.569 10.457 -1.806 515 HA VAL 73 HA VAL 73 4.988 10.573 -3.159 516 HB VAL 73 HB VAL 73 4.111 8.856 -0.846 517 HG11 VAL 73 1HG1 VAL 73 6.702 8.651 -0.562 518 HG12 VAL 73 2HG1 VAL 73 5.832 7.534 -1.615 519 HG13 VAL 73 3HG1 VAL 73 6.713 8.896 -2.307 520 HG21 VAL 73 1HG2 VAL 73 5.831 10.437 0.271 521 HG22 VAL 73 2HG2 VAL 73 5.608 11.430 -1.169 522 HG23 VAL 73 3HG2 VAL 73 4.231 11.062 -0.130 523 H ALA 74 H ALA 74 2.443 8.288 -3.444 524 HA ALA 74 HA ALA 74 4.100 6.205 -4.588 525 HB1 ALA 74 1HB ALA 74 1.120 6.457 -4.230 526 HB2 ALA 74 2HB ALA 74 1.908 5.065 -4.975 527 HB3 ALA 74 3HB ALA 74 2.240 5.469 -3.291 528 H GLU 75 H GLU 75 2.121 8.852 -5.670 529 HA GLU 75 HA GLU 75 2.160 7.923 -8.433 530 HB2 GLU 75 1HB GLU 75 0.101 8.936 -7.525 531 HB3 GLU 75 2HB GLU 75 0.974 10.436 -7.242 532 HG2 GLU 75 1HG GLU 75 0.931 9.291 -9.987 533 HG3 GLU 75 2HG GLU 75 -0.502 10.114 -9.376 534 H ASN 76 H ASN 76 3.887 10.023 -6.337 535 HA ASN 76 HA ASN 76 5.050 11.573 -8.503 536 HB2 ASN 76 1HB ASN 76 5.328 11.633 -5.505 537 HB3 ASN 76 2HB ASN 76 6.418 12.546 -6.546 538 HD21 ASN 76 1HD2 ASN 76 4.464 13.471 -4.583 539 HD22 ASN 76 2HD2 ASN 76 3.392 14.521 -5.441 540 H GLU 77 H GLU 77 6.423 9.671 -5.810 541 HA GLU 77 HA GLU 77 8.908 9.317 -7.201 542 HB2 GLU 77 1HB GLU 77 7.795 8.531 -4.558 543 HB3 GLU 77 2HB GLU 77 9.133 7.577 -5.183 544 HG2 GLU 77 1HG GLU 77 9.191 10.569 -4.888 545 HG3 GLU 77 2HG GLU 77 9.801 9.441 -3.680 546 H LEU 78 H LEU 78 6.833 6.801 -5.777 547 HA LEU 78 HA LEU 78 7.774 4.698 -7.308 548 HB2 LEU 78 1HB LEU 78 4.917 4.896 -6.410 549 HB3 LEU 78 2HB LEU 78 5.917 3.454 -6.567 550 HG LEU 78 HG LEU 78 6.132 5.591 -4.449 551 HD11 LEU 78 1HD1 LEU 78 5.846 3.195 -3.199 552 HD12 LEU 78 2HD1 LEU 78 4.840 2.966 -4.629 553 HD13 LEU 78 3HD1 LEU 78 4.528 4.318 -3.539 554 HD21 LEU 78 1HD2 LEU 78 8.354 4.902 -4.952 555 HD22 LEU 78 2HD2 LEU 78 7.878 3.206 -5.032 556 HD23 LEU 78 3HD2 LEU 78 7.864 4.054 -3.485 557 H GLY 79 H GLY 79 5.473 7.175 -8.129 558 HA2 GLY 79 1HA GLY 79 4.653 7.766 -10.207 559 HA3 GLY 79 2HA GLY 79 5.582 6.446 -10.901 560 H ILE 80 H ILE 80 3.786 5.214 -8.406 561 HA ILE 80 HA ILE 80 2.058 3.783 -10.159 562 HB ILE 80 HB ILE 80 1.974 3.988 -7.146 563 HG12 ILE 80 1HG1 ILE 80 4.108 3.109 -7.967 564 HG13 ILE 80 2HG1 ILE 80 3.170 1.836 -7.193 565 HG21 ILE 80 1HG2 ILE 80 0.971 1.522 -8.068 566 HG22 ILE 80 2HG2 ILE 80 0.097 2.813 -7.248 567 HG23 ILE 80 3HG2 ILE 80 0.177 2.784 -9.009 568 HD11 ILE 80 1HD1 ILE 80 3.941 0.767 -9.063 569 HD12 ILE 80 2HD1 ILE 80 2.375 1.350 -9.629 570 HD13 ILE 80 3HD1 ILE 80 3.848 2.216 -10.064 571 H THR 81 H THR 81 0.706 5.181 -11.243 572 HA THR 81 HA THR 81 -0.668 7.362 -10.330 573 HB THR 81 HB THR 81 -1.724 5.288 -12.262 574 HG1 THR 81 1HG THR 81 -0.254 6.089 -13.542 575 HG21 THR 81 1HG2 THR 81 -3.342 6.784 -12.943 576 HG22 THR 81 2HG2 THR 81 -2.456 8.182 -12.334 577 HG23 THR 81 3HG2 THR 81 -3.290 7.110 -11.211 578 HA PRO 82 HA PRO 82 -3.454 5.856 -7.252 579 HB2 PRO 82 1HB PRO 82 -5.116 8.001 -7.171 580 HB3 PRO 82 2HB PRO 82 -3.496 8.015 -6.465 581 HG2 PRO 82 1HG PRO 82 -4.424 9.097 -9.097 582 HG3 PRO 82 2HG PRO 82 -3.321 9.824 -7.914 583 HD2 PRO 82 1HD PRO 82 -2.442 8.573 -10.150 584 HD3 PRO 82 2HD PRO 82 -1.525 8.568 -8.629 585 H VAL 83 H VAL 83 -4.426 4.130 -8.376 586 HA VAL 83 HA VAL 83 -6.414 4.485 -10.372 587 HB VAL 83 HB VAL 83 -4.997 2.372 -9.775 588 HG11 VAL 83 1HG1 VAL 83 -6.344 2.453 -7.457 589 HG12 VAL 83 2HG1 VAL 83 -7.415 1.398 -8.383 590 HG13 VAL 83 3HG1 VAL 83 -5.720 0.961 -8.160 591 HG21 VAL 83 1HG2 VAL 83 -6.172 1.568 -11.478 592 HG22 VAL 83 2HG2 VAL 83 -7.546 1.259 -10.416 593 HG23 VAL 83 3HG2 VAL 83 -7.384 2.823 -11.217 594 H VAL 84 H VAL 84 -6.463 4.585 -6.927 595 HA VAL 84 HA VAL 84 -9.398 4.824 -6.998 596 HB VAL 84 HB VAL 84 -7.747 3.478 -4.857 597 HG11 VAL 84 1HG1 VAL 84 -9.701 3.236 -3.556 598 HG12 VAL 84 2HG1 VAL 84 -9.657 4.932 -4.041 599 HG13 VAL 84 3HG1 VAL 84 -10.737 3.806 -4.865 600 HG21 VAL 84 1HG2 VAL 84 -9.380 1.583 -5.441 601 HG22 VAL 84 2HG2 VAL 84 -9.692 2.493 -6.919 602 HG23 VAL 84 3HG2 VAL 84 -8.063 1.917 -6.566 603 H SER 85 H SER 85 -10.295 6.442 -5.779 604 HA SER 85 HA SER 85 -8.622 8.642 -5.110 605 HB2 SER 85 1HB SER 85 -11.168 8.527 -5.847 606 HB3 SER 85 2HB SER 85 -11.431 8.492 -4.104 607 HG SER 85 HG SER 85 -10.015 10.407 -4.071 608 H ALA 86 H ALA 86 -8.186 9.557 -3.093 609 HA ALA 86 HA ALA 86 -7.444 7.876 -1.040 610 HB1 ALA 86 1HB ALA 86 -8.207 10.481 -0.026 611 HB2 ALA 86 2HB ALA 86 -6.610 9.741 -0.152 612 HB3 ALA 86 3HB ALA 86 -7.297 10.598 -1.533 613 H GLN 87 H GLN 87 -10.504 9.587 -1.481 614 HA GLN 87 HA GLN 87 -11.603 8.907 1.040 615 HB2 GLN 87 1HB GLN 87 -12.373 10.732 -0.585 616 HB3 GLN 87 2HB GLN 87 -13.207 9.449 -1.451 617 HG2 GLN 87 1HG GLN 87 -13.682 9.704 1.466 618 HG3 GLN 87 2HG GLN 87 -14.408 10.898 0.391 619 HE21 GLN 87 1HE2 GLN 87 -16.498 10.263 0.673 620 HE22 GLN 87 2HE2 GLN 87 -17.116 8.744 0.131 621 H ALA 88 H ALA 88 -12.154 7.551 -2.210 622 HA ALA 88 HA ALA 88 -13.909 5.528 -1.552 623 HB1 ALA 88 1HB ALA 88 -11.720 5.353 -3.618 624 HB2 ALA 88 2HB ALA 88 -13.215 4.417 -3.580 625 HB3 ALA 88 3HB ALA 88 -13.272 6.158 -3.853 626 H VAL 89 H VAL 89 -10.380 5.540 -1.350 627 HA VAL 89 HA VAL 89 -9.976 2.839 -0.760 628 HB VAL 89 HB VAL 89 -8.395 5.251 0.135 629 HG11 VAL 89 1HG1 VAL 89 -8.135 2.440 0.822 630 HG12 VAL 89 2HG1 VAL 89 -6.679 3.090 0.067 631 HG13 VAL 89 3HG1 VAL 89 -7.339 3.851 1.515 632 HG21 VAL 89 1HG2 VAL 89 -8.624 4.811 -2.328 633 HG22 VAL 89 2HG2 VAL 89 -6.968 4.810 -1.719 634 HG23 VAL 89 3HG2 VAL 89 -7.783 3.284 -2.062 635 H VAL 90 H VAL 90 -9.905 5.515 1.602 636 HA VAL 90 HA VAL 90 -10.134 3.815 3.849 637 HB VAL 90 HB VAL 90 -10.743 6.766 3.628 638 HG11 VAL 90 1HG1 VAL 90 -11.755 6.126 5.617 639 HG12 VAL 90 2HG1 VAL 90 -10.529 4.904 5.965 640 HG13 VAL 90 3HG1 VAL 90 -10.143 6.617 6.136 641 HG21 VAL 90 1HG2 VAL 90 -8.434 6.837 4.798 642 HG22 VAL 90 2HG2 VAL 90 -8.234 5.212 4.143 643 HG23 VAL 90 3HG2 VAL 90 -8.501 6.576 3.056 644 H ALA 91 H ALA 91 -12.511 6.078 2.445 645 HA ALA 91 HA ALA 91 -14.698 5.628 3.955 646 HB1 ALA 91 1HB ALA 91 -14.923 5.629 0.958 647 HB2 ALA 91 2HB ALA 91 -16.047 6.292 2.145 648 HB3 ALA 91 3HB ALA 91 -14.489 7.072 1.875 649 H GLY 92 H GLY 92 -13.522 3.486 1.385 650 HA2 GLY 92 1HA GLY 92 -13.748 1.159 1.325 651 HA3 GLY 92 2HA GLY 92 -14.910 1.260 2.639 652 H SER 93 H SER 93 -15.093 3.139 -0.322 653 HA SER 93 HA SER 93 -17.729 2.036 -0.832 654 HB2 SER 93 1HB SER 93 -17.428 4.455 -1.002 655 HB3 SER 93 2HB SER 93 -16.190 4.233 -2.238 656 HG SER 93 HG SER 93 -18.941 4.083 -2.435 657 H ASP 94 H ASP 94 -14.578 2.218 -2.431 658 HA ASP 94 HA ASP 94 -15.522 0.208 -4.369 659 HB2 ASP 94 1HB ASP 94 -13.330 2.274 -4.643 660 HB3 ASP 94 2HB ASP 94 -13.664 1.015 -5.829 661 HA PRO 95 HA PRO 95 -12.571 -2.107 -1.751 662 HB2 PRO 95 1HB PRO 95 -13.772 -4.505 -2.165 663 HB3 PRO 95 2HB PRO 95 -14.322 -3.355 -0.941 664 HG2 PRO 95 1HG PRO 95 -15.403 -3.860 -3.688 665 HG3 PRO 95 2HG PRO 95 -16.281 -3.610 -2.168 666 HD2 PRO 95 1HD PRO 95 -15.963 -1.648 -4.007 667 HD3 PRO 95 2HD PRO 95 -16.048 -1.318 -2.265 668 H LEU 96 H LEU 96 -13.722 -2.643 -5.023 669 HA LEU 96 HA LEU 96 -11.748 -4.564 -5.742 670 HB2 LEU 96 1HB LEU 96 -13.666 -2.841 -7.257 671 HB3 LEU 96 2HB LEU 96 -12.420 -3.745 -8.113 672 HG LEU 96 HG LEU 96 -13.457 -5.754 -6.717 673 HD11 LEU 96 1HD1 LEU 96 -15.514 -5.478 -5.892 674 HD12 LEU 96 2HD1 LEU 96 -16.038 -4.511 -7.270 675 HD13 LEU 96 3HD1 LEU 96 -15.154 -3.752 -5.946 676 HD21 LEU 96 1HD2 LEU 96 -13.886 -4.627 -9.359 677 HD22 LEU 96 2HD2 LEU 96 -15.252 -5.597 -8.809 678 HD23 LEU 96 3HD2 LEU 96 -13.636 -6.303 -8.869 679 H GLY 97 H GLY 97 -12.085 -1.076 -6.399 680 HA2 GLY 97 1HA GLY 97 -9.820 -0.628 -7.883 681 HA3 GLY 97 2HA GLY 97 -10.476 0.533 -6.739 682 H LEU 98 H LEU 98 -10.021 -0.641 -4.330 683 HA LEU 98 HA LEU 98 -7.433 0.037 -3.710 684 HB2 LEU 98 1HB LEU 98 -8.974 -0.188 -1.948 685 HB3 LEU 98 2HB LEU 98 -9.355 -1.851 -2.387 686 HG LEU 98 HG LEU 98 -7.198 -2.594 -1.570 687 HD11 LEU 98 1HD1 LEU 98 -6.669 0.235 -0.695 688 HD12 LEU 98 2HD1 LEU 98 -6.008 -0.463 -2.173 689 HD13 LEU 98 3HD1 LEU 98 -5.583 -1.152 -0.606 690 HD21 LEU 98 1HD2 LEU 98 -8.171 -0.831 0.624 691 HD22 LEU 98 2HD2 LEU 98 -7.727 -2.538 0.658 692 HD23 LEU 98 3HD2 LEU 98 -9.266 -2.040 -0.045 693 H ILE 99 H ILE 99 -8.666 -3.273 -4.191 694 HA ILE 99 HA ILE 99 -6.297 -4.659 -3.890 695 HB ILE 99 HB ILE 99 -8.521 -5.294 -5.833 696 HG12 ILE 99 1HG1 ILE 99 -8.125 -6.432 -3.069 697 HG13 ILE 99 2HG1 ILE 99 -9.084 -4.983 -3.349 698 HG21 ILE 99 1HG2 ILE 99 -6.305 -6.994 -4.703 699 HG22 ILE 99 2HG2 ILE 99 -7.716 -7.640 -5.540 700 HG23 ILE 99 3HG2 ILE 99 -6.591 -6.586 -6.394 701 HD11 ILE 99 1HD1 ILE 99 -9.667 -7.805 -4.009 702 HD12 ILE 99 2HD1 ILE 99 -10.734 -6.528 -3.423 703 HD13 ILE 99 3HD1 ILE 99 -10.256 -6.569 -5.119 704 H ALA 100 H ALA 100 -7.673 -3.407 -6.931 705 HA ALA 100 HA ALA 100 -5.573 -4.175 -8.607 706 HB1 ALA 100 1HB ALA 100 -6.417 -2.304 -10.090 707 HB2 ALA 100 2HB ALA 100 -7.604 -3.522 -9.617 708 HB3 ALA 100 3HB ALA 100 -7.585 -1.951 -8.817 709 H TYR 101 H TYR 101 -6.003 -1.305 -6.613 710 HA TYR 101 HA TYR 101 -3.923 0.257 -7.636 711 HB2 TYR 101 1HB TYR 101 -5.666 1.048 -6.038 712 HB3 TYR 101 2HB TYR 101 -4.860 0.144 -4.761 713 HD1 TYR 101 1HD TYR 101 -3.329 2.185 -7.470 714 HD2 TYR 101 2HD TYR 101 -4.105 1.808 -3.302 715 HE1 TYR 101 1HE TYR 101 -1.873 4.118 -7.029 716 HE2 TYR 101 2HE TYR 101 -2.651 3.740 -2.851 717 HH TYR 101 HH TYR 101 -0.473 4.818 -4.460 718 H LEU 102 H LEU 102 -3.908 -2.074 -4.949 719 HA LEU 102 HA LEU 102 -1.211 -1.780 -4.250 720 HB2 LEU 102 1HB LEU 102 -2.846 -4.299 -4.033 721 HB3 LEU 102 2HB LEU 102 -1.435 -3.859 -3.073 722 HG LEU 102 HG LEU 102 -3.921 -2.190 -2.974 723 HD11 LEU 102 1HD1 LEU 102 -3.530 -4.315 -0.947 724 HD12 LEU 102 2HD1 LEU 102 -4.195 -4.789 -2.510 725 HD13 LEU 102 3HD1 LEU 102 -5.013 -3.567 -1.537 726 HD21 LEU 102 1HD2 LEU 102 -3.083 -1.669 -0.744 727 HD22 LEU 102 2HD2 LEU 102 -1.869 -1.318 -1.974 728 HD23 LEU 102 3HD2 LEU 102 -1.728 -2.773 -0.986 729 H SER 103 H SER 103 -2.773 -4.163 -6.384 730 HA SER 103 HA SER 103 -0.725 -5.761 -7.112 731 HB2 SER 103 1HB SER 103 -1.936 -6.320 -8.995 732 HB3 SER 103 2HB SER 103 -3.186 -5.500 -8.059 733 HG SER 103 HG SER 103 -3.301 -4.512 -9.976 734 H HIS 104 H HIS 104 -1.233 -2.447 -8.199 735 HA HIS 104 HA HIS 104 0.740 -2.339 -10.179 736 HB2 HIS 104 1HB HIS 104 -0.445 -0.230 -8.382 737 HB3 HIS 104 2HB HIS 104 0.770 0.158 -9.596 738 HD1 HIS 104 1HD HIS 104 -0.839 1.567 -11.006 739 HD2 HIS 104 2HD HIS 104 -2.102 -2.352 -10.452 740 HE1 HIS 104 1HE HIS 104 -2.739 1.239 -12.619 741 HE2 HIS 104 2HE HIS 104 -3.544 -1.112 -12.205 742 H PHE 105 H PHE 105 0.933 -1.688 -6.700 743 HA PHE 105 HA PHE 105 3.605 -0.840 -6.635 744 HB2 PHE 105 1HB PHE 105 1.821 -2.109 -4.565 745 HB3 PHE 105 2HB PHE 105 3.481 -1.649 -4.202 746 HD1 PHE 105 1HD PHE 105 0.261 -0.292 -5.457 747 HD2 PHE 105 2HD PHE 105 3.985 0.527 -3.566 748 HE1 PHE 105 1HE PHE 105 -0.485 2.006 -4.991 749 HE2 PHE 105 2HE PHE 105 3.245 2.826 -3.097 750 HZ PHE 105 HZ PHE 105 1.007 3.568 -3.808 751 H HIS 106 H HIS 106 2.204 -4.067 -6.121 752 HA HIS 106 HA HIS 106 4.693 -5.366 -5.722 753 HB2 HIS 106 1HB HIS 106 2.611 -6.349 -4.921 754 HB3 HIS 106 2HB HIS 106 2.013 -6.486 -6.572 755 HD1 HIS 106 1HD HIS 106 2.109 -8.832 -7.310 756 HD2 HIS 106 2HD HIS 106 5.329 -7.862 -4.868 757 HE1 HIS 106 1HE HIS 106 3.501 -10.923 -7.170 758 HE2 HIS 106 2HE HIS 106 5.397 -10.337 -5.618 759 H SER 107 H SER 107 2.449 -5.613 -8.489 760 HA SER 107 HA SER 107 3.829 -7.025 -10.279 761 HB2 SER 107 1HB SER 107 1.650 -5.707 -10.626 762 HB3 SER 107 2HB SER 107 2.682 -4.373 -11.142 763 HG SER 107 HG SER 107 3.152 -6.864 -12.291 764 H ALA 108 H ALA 108 4.639 -3.760 -9.283 765 HA ALA 108 HA ALA 108 6.846 -3.617 -11.179 766 HB1 ALA 108 1HB ALA 108 6.167 -1.579 -9.076 767 HB2 ALA 108 2HB ALA 108 7.067 -1.350 -10.576 768 HB3 ALA 108 3HB ALA 108 5.331 -1.658 -10.628 769 H PHE 109 H PHE 109 6.348 -3.596 -7.659 770 HA PHE 109 HA PHE 109 9.219 -3.965 -7.252 771 HB2 PHE 109 1HB PHE 109 6.953 -3.368 -5.347 772 HB3 PHE 109 2HB PHE 109 8.597 -3.701 -4.814 773 HD1 PHE 109 1HD PHE 109 6.666 -1.446 -7.055 774 HD2 PHE 109 2HD PHE 109 10.105 -1.964 -4.602 775 HE1 PHE 109 1HE PHE 109 7.240 0.927 -7.363 776 HE2 PHE 109 2HE PHE 109 10.684 0.407 -4.906 777 HZ PHE 109 HZ PHE 109 9.250 1.857 -6.287 778 H LYS 110 H LYS 110 7.992 -6.125 -8.455 779 HA LYS 110 HA LYS 110 7.847 -8.109 -6.282 780 HB2 LYS 110 1HB LYS 110 6.538 -9.512 -7.791 781 HB3 LYS 110 2HB LYS 110 5.775 -7.940 -7.592 782 HG2 LYS 110 1HG LYS 110 6.631 -7.222 -9.742 783 HG3 LYS 110 2HG LYS 110 7.476 -8.760 -9.939 784 HD2 LYS 110 1HD LYS 110 4.530 -8.756 -9.448 785 HD3 LYS 110 2HD LYS 110 5.140 -8.373 -11.061 786 HE2 LYS 110 1HE LYS 110 5.881 -10.851 -9.512 787 HE3 LYS 110 2HE LYS 110 4.583 -10.783 -10.702 788 HZ1 LYS 110 1HZ LYS 110 6.609 -11.630 -11.684 789 HZ2 LYS 110 2HZ LYS 110 7.455 -10.237 -11.229 790 HZ3 LYS 110 3HZ LYS 110 6.215 -10.137 -12.375 791 H SER 111 H SER 111 9.250 -9.777 -6.266 792 HA SER 111 HA SER 111 11.101 -10.008 -8.549 793 HB2 SER 111 1HB SER 111 12.331 -9.086 -6.707 794 HB3 SER 111 2HB SER 111 11.658 -10.271 -5.589 795 HG SER 111 HG SER 111 13.709 -10.531 -7.439 796 H GLY 112 H GLY 112 9.782 -11.636 -9.483 797 HA2 GLY 112 1HA GLY 112 9.502 -14.126 -7.956 798 HA3 GLY 112 2HA GLY 112 8.677 -13.741 -9.459 799 HA PRO 113 HA PRO 113 12.053 -16.682 -10.524 800 HB2 PRO 113 1HB PRO 113 10.576 -18.055 -12.342 801 HB3 PRO 113 2HB PRO 113 10.546 -18.414 -10.612 802 HG2 PRO 113 1HG PRO 113 8.612 -16.821 -12.249 803 HG3 PRO 113 2HG PRO 113 8.285 -18.019 -10.983 804 HD2 PRO 113 1HD PRO 113 8.177 -15.352 -10.529 805 HD3 PRO 113 2HD PRO 113 8.677 -16.513 -9.283 806 H SER 114 H SER 114 12.671 -17.363 -12.896 807 HA SER 114 HA SER 114 12.397 -14.993 -14.627 808 HB2 SER 114 1HB SER 114 14.646 -15.115 -13.609 809 HB3 SER 114 2HB SER 114 14.859 -16.727 -14.293 810 HG SER 114 HG SER 114 15.462 -14.476 -15.436 811 H SER 115 H SER 115 13.211 -18.456 -14.599 812 HA SER 115 HA SER 115 13.055 -18.950 -17.321 813 HB2 SER 115 1HB SER 115 12.435 -20.704 -14.945 814 HB3 SER 115 2HB SER 115 12.392 -21.311 -16.601 815 HG SER 115 HG SER 115 14.641 -20.005 -15.475 816 H GLY 116 H GLY 116 10.456 -19.363 -14.908 817 HA2 GLY 116 1HA GLY 116 8.424 -20.054 -16.692 818 HA3 GLY 116 2HA GLY 116 8.172 -19.299 -15.124 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.533 -23.238 -10.442 2 HA2 GLY 1 1HA GLY 1 2.198 -24.000 -8.615 3 HA3 GLY 1 2HA GLY 1 3.587 -23.794 -7.557 4 H SER 2 H SER 2 2.866 -22.402 -6.055 5 HA SER 2 HA SER 2 1.072 -20.281 -6.543 6 HB2 SER 2 1HB SER 2 1.537 -21.368 -4.309 7 HB3 SER 2 2HB SER 2 3.041 -20.449 -4.255 8 HG SER 2 HG SER 2 0.664 -19.070 -4.765 9 H SER 3 H SER 3 4.576 -20.211 -5.878 10 HA SER 3 HA SER 3 5.075 -17.539 -6.131 11 HB2 SER 3 1HB SER 3 6.696 -19.534 -5.690 12 HB3 SER 3 2HB SER 3 6.941 -19.498 -7.436 13 HG SER 3 HG SER 3 8.340 -18.000 -6.969 14 H GLY 4 H GLY 4 4.151 -16.275 -7.636 15 HA2 GLY 4 1HA GLY 4 5.004 -15.722 -10.069 16 HA3 GLY 4 2HA GLY 4 4.067 -17.167 -10.420 17 H SER 5 H SER 5 3.456 -14.766 -11.617 18 HA SER 5 HA SER 5 1.304 -13.496 -10.161 19 HB2 SER 5 1HB SER 5 2.889 -12.309 -11.769 20 HB3 SER 5 2HB SER 5 1.990 -13.085 -13.072 21 HG SER 5 HG SER 5 0.529 -11.611 -12.838 22 H SER 6 H SER 6 0.771 -16.174 -10.405 23 HA SER 6 HA SER 6 -0.593 -17.156 -12.551 24 HB2 SER 6 1HB SER 6 -1.128 -17.476 -9.600 25 HB3 SER 6 2HB SER 6 -2.060 -18.351 -10.816 26 HG SER 6 HG SER 6 0.716 -18.435 -11.027 27 H GLY 7 H GLY 7 -1.823 -14.921 -10.099 28 HA2 GLY 7 1HA GLY 7 -3.359 -13.193 -11.049 29 HA3 GLY 7 2HA GLY 7 -4.218 -14.535 -11.787 30 H THR 8 H THR 8 -3.009 -13.725 -8.530 31 HA THR 8 HA THR 8 -5.723 -14.027 -7.490 32 HB THR 8 HB THR 8 -3.544 -15.369 -5.949 33 HG1 THR 8 1HG THR 8 -3.659 -16.143 -8.254 34 HG21 THR 8 1HG2 THR 8 -5.659 -16.905 -5.592 35 HG22 THR 8 2HG2 THR 8 -6.518 -15.461 -6.132 36 HG23 THR 8 3HG2 THR 8 -5.478 -15.389 -4.710 37 H GLN 9 H GLN 9 -5.987 -13.160 -5.330 38 HA GLN 9 HA GLN 9 -4.345 -10.817 -4.932 39 HB2 GLN 9 1HB GLN 9 -6.704 -11.816 -3.326 40 HB3 GLN 9 2HB GLN 9 -5.971 -10.222 -3.208 41 HG2 GLN 9 1HG GLN 9 -6.819 -9.535 -5.247 42 HG3 GLN 9 2HG GLN 9 -7.065 -11.186 -5.813 43 HE21 GLN 9 1HE2 GLN 9 -8.048 -9.407 -2.904 44 HE22 GLN 9 2HE2 GLN 9 -9.734 -9.756 -3.053 45 H GLU 10 H GLU 10 -4.844 -13.928 -3.413 46 HA GLU 10 HA GLU 10 -3.839 -13.643 -0.909 47 HB2 GLU 10 1HB GLU 10 -4.555 -15.778 -2.181 48 HB3 GLU 10 2HB GLU 10 -2.863 -15.894 -2.645 49 HG2 GLU 10 1HG GLU 10 -3.677 -15.632 0.224 50 HG3 GLU 10 2HG GLU 10 -3.652 -17.195 -0.591 51 H GLU 11 H GLU 11 -1.833 -14.255 -3.794 52 HA GLU 11 HA GLU 11 0.649 -14.053 -2.544 53 HB2 GLU 11 1HB GLU 11 1.588 -13.766 -4.739 54 HB3 GLU 11 2HB GLU 11 0.256 -14.909 -4.850 55 HG2 GLU 11 1HG GLU 11 -1.158 -13.310 -5.859 56 HG3 GLU 11 2HG GLU 11 -0.053 -11.990 -5.479 57 H LEU 12 H LEU 12 -1.446 -11.560 -3.887 58 HA LEU 12 HA LEU 12 0.406 -9.428 -3.690 59 HB2 LEU 12 1HB LEU 12 -1.531 -9.268 -5.118 60 HB3 LEU 12 2HB LEU 12 -2.608 -9.442 -3.732 61 HG LEU 12 HG LEU 12 -1.783 -7.259 -2.884 62 HD11 LEU 12 1HD1 LEU 12 -0.126 -7.455 -5.348 63 HD12 LEU 12 2HD1 LEU 12 0.295 -6.845 -3.747 64 HD13 LEU 12 3HD1 LEU 12 -0.698 -5.869 -4.828 65 HD21 LEU 12 1HD2 LEU 12 -3.480 -7.771 -5.133 66 HD22 LEU 12 2HD2 LEU 12 -2.682 -6.211 -5.334 67 HD23 LEU 12 3HD2 LEU 12 -3.629 -6.537 -3.881 68 H LEU 13 H LEU 13 -1.968 -10.782 -1.473 69 HA LEU 13 HA LEU 13 -1.857 -8.743 0.474 70 HB2 LEU 13 1HB LEU 13 -3.675 -10.226 0.582 71 HB3 LEU 13 2HB LEU 13 -2.628 -11.642 0.560 72 HG LEU 13 HG LEU 13 -1.833 -10.941 2.852 73 HD11 LEU 13 1HD1 LEU 13 -2.455 -8.657 2.927 74 HD12 LEU 13 2HD1 LEU 13 -3.476 -9.497 4.093 75 HD13 LEU 13 3HD1 LEU 13 -4.132 -9.028 2.525 76 HD21 LEU 13 1HD2 LEU 13 -3.801 -11.860 3.975 77 HD22 LEU 13 2HD2 LEU 13 -3.412 -12.767 2.513 78 HD23 LEU 13 3HD2 LEU 13 -4.752 -11.619 2.510 79 H ARG 14 H ARG 14 -0.278 -11.942 0.416 80 HA ARG 14 HA ARG 14 1.236 -11.700 2.711 81 HB2 ARG 14 1HB ARG 14 1.569 -13.221 0.165 82 HB3 ARG 14 2HB ARG 14 2.918 -13.175 1.291 83 HG2 ARG 14 1HG ARG 14 1.219 -13.930 3.055 84 HG3 ARG 14 2HG ARG 14 0.188 -14.337 1.681 85 HD2 ARG 14 1HD ARG 14 1.268 -16.333 1.993 86 HD3 ARG 14 2HD ARG 14 2.352 -15.562 0.835 87 HE ARG 14 HE ARG 14 3.967 -15.477 2.455 88 HH11 ARG 14 2HH1 ARG 14 0.888 -16.127 3.944 89 HH12 ARG 14 1HH1 ARG 14 1.564 -16.442 5.508 90 HH21 ARG 14 2HH2 ARG 14 4.869 -15.891 4.508 91 HH22 ARG 14 1HH2 ARG 14 3.829 -16.307 5.828 92 H TRP 15 H TRP 15 2.348 -10.997 -0.607 93 HA TRP 15 HA TRP 15 4.844 -10.006 -0.044 94 HB2 TRP 15 1HB TRP 15 4.081 -10.337 -2.325 95 HB3 TRP 15 2HB TRP 15 2.894 -9.047 -2.148 96 HD1 TRP 15 HD TRP 15 6.676 -9.593 -2.523 97 HE1 TRP 15 1HE TRP 15 7.743 -7.387 -3.307 98 HE3 TRP 15 3HE TRP 15 2.587 -6.545 -2.174 99 HZ2 TRP 15 2HZ TRP 15 6.957 -4.708 -3.722 100 HZ3 TRP 15 3HZ TRP 15 2.829 -4.173 -2.783 101 HH2 TRP 15 HH TRP 15 4.969 -3.276 -3.540 102 H CYS 16 H CYS 16 1.748 -8.322 0.153 103 HA CYS 16 HA CYS 16 2.858 -5.763 0.713 104 HB2 CYS 16 1HB CYS 16 0.104 -6.932 1.106 105 HB3 CYS 16 2HB CYS 16 0.498 -5.270 1.529 106 HG CYS 16 HG CYS 16 -0.133 -6.613 -1.453 107 H GLN 17 H GLN 17 1.597 -8.384 2.728 108 HA GLN 17 HA GLN 17 1.653 -7.128 5.200 109 HB2 GLN 17 1HB GLN 17 1.987 -9.980 4.342 110 HB3 GLN 17 2HB GLN 17 2.188 -9.544 6.033 111 HG2 GLN 17 1HG GLN 17 -0.068 -8.626 6.076 112 HG3 GLN 17 2HG GLN 17 -0.271 -9.036 4.374 113 HE21 GLN 17 1HE2 GLN 17 -2.017 -9.950 6.285 114 HE22 GLN 17 2HE2 GLN 17 -1.840 -11.660 6.455 115 H GLU 18 H GLU 18 4.260 -8.685 3.405 116 HA GLU 18 HA GLU 18 6.204 -8.613 5.439 117 HB2 GLU 18 1HB GLU 18 6.566 -8.528 2.439 118 HB3 GLU 18 2HB GLU 18 7.842 -8.856 3.603 119 HG2 GLU 18 1HG GLU 18 6.992 -10.937 4.148 120 HG3 GLU 18 2HG GLU 18 5.380 -10.546 3.551 121 H GLN 19 H GLN 19 5.381 -6.304 2.882 122 HA GLN 19 HA GLN 19 7.449 -4.459 3.557 123 HB2 GLN 19 1HB GLN 19 4.902 -3.864 2.049 124 HB3 GLN 19 2HB GLN 19 6.419 -2.977 1.974 125 HG2 GLN 19 1HG GLN 19 5.808 -5.703 0.881 126 HG3 GLN 19 2HG GLN 19 6.292 -4.253 0.002 127 HE21 GLN 19 1HE2 GLN 19 7.435 -7.030 0.279 128 HE22 GLN 19 2HE2 GLN 19 9.096 -6.767 0.674 129 H THR 20 H THR 20 3.904 -4.249 3.924 130 HA THR 20 HA THR 20 3.836 -1.942 5.467 131 HB THR 20 HB THR 20 1.624 -2.727 6.281 132 HG1 THR 20 1HG THR 20 2.466 -5.120 5.000 133 HG21 THR 20 1HG2 THR 20 0.700 -3.188 3.879 134 HG22 THR 20 2HG2 THR 20 2.353 -2.827 3.383 135 HG23 THR 20 3HG2 THR 20 1.413 -1.621 4.261 136 H ALA 21 H ALA 21 4.897 -5.080 6.314 137 HA ALA 21 HA ALA 21 4.349 -5.191 9.045 138 HB1 ALA 21 1HB ALA 21 5.867 -6.676 7.195 139 HB2 ALA 21 2HB ALA 21 6.937 -6.294 8.544 140 HB3 ALA 21 3HB ALA 21 5.410 -7.127 8.837 141 H GLY 22 H GLY 22 6.192 -5.130 10.744 142 HA2 GLY 22 1HA GLY 22 7.814 -3.948 11.887 143 HA3 GLY 22 2HA GLY 22 8.224 -3.139 10.383 144 H TYR 23 H TYR 23 6.092 -1.757 9.661 145 HA TYR 23 HA TYR 23 6.107 0.520 11.199 146 HB2 TYR 23 1HB TYR 23 5.153 0.104 8.823 147 HB3 TYR 23 2HB TYR 23 3.647 -0.261 9.659 148 HD1 TYR 23 2HD TYR 23 3.277 1.642 11.674 149 HD2 TYR 23 1HD TYR 23 5.165 2.210 7.903 150 HE1 TYR 23 2HE TYR 23 2.748 4.042 11.777 151 HE2 TYR 23 1HE TYR 23 4.642 4.611 7.997 152 HH TYR 23 HH TYR 23 4.031 6.265 10.480 153 HA PRO 24 HA PRO 24 3.770 -0.657 14.783 154 HB2 PRO 24 1HB PRO 24 3.654 1.816 15.899 155 HB3 PRO 24 2HB PRO 24 5.108 0.812 15.936 156 HG2 PRO 24 1HG PRO 24 4.417 3.081 14.109 157 HG3 PRO 24 2HG PRO 24 5.957 2.719 14.911 158 HD2 PRO 24 1HD PRO 24 5.494 2.121 12.312 159 HD3 PRO 24 2HD PRO 24 6.546 1.133 13.346 160 H GLY 25 H GLY 25 1.646 -1.009 14.835 161 HA2 GLY 25 1HA GLY 25 -0.598 -0.261 15.071 162 HA3 GLY 25 2HA GLY 25 -0.180 1.190 14.172 163 H VAL 26 H VAL 26 1.165 -0.202 12.027 164 HA VAL 26 HA VAL 26 -1.078 -0.700 10.359 165 HB VAL 26 HB VAL 26 1.844 -1.276 9.847 166 HG11 VAL 26 1HG1 VAL 26 0.895 -0.913 7.413 167 HG12 VAL 26 2HG1 VAL 26 0.841 -2.496 8.191 168 HG13 VAL 26 3HG1 VAL 26 -0.599 -1.476 8.160 169 HG21 VAL 26 1HG2 VAL 26 0.329 1.047 8.732 170 HG22 VAL 26 2HG2 VAL 26 1.007 1.133 10.358 171 HG23 VAL 26 3HG2 VAL 26 2.066 0.854 8.977 172 H HIS 27 H HIS 27 -2.298 -2.462 10.573 173 HA HIS 27 HA HIS 27 -0.940 -5.067 10.801 174 HB2 HIS 27 1HB HIS 27 -1.982 -4.637 12.925 175 HB3 HIS 27 2HB HIS 27 -3.489 -4.159 12.148 176 HD1 HIS 27 1HD HIS 27 -4.630 -6.023 13.646 177 HD2 HIS 27 2HD HIS 27 -1.968 -7.421 10.778 178 HE1 HIS 27 1HE HIS 27 -5.095 -8.485 13.441 179 HE2 HIS 27 2HE HIS 27 -3.415 -9.325 11.762 180 H VAL 28 H VAL 28 -1.059 -5.000 8.439 181 HA VAL 28 HA VAL 28 -3.590 -5.017 7.116 182 HB VAL 28 HB VAL 28 -0.858 -5.881 6.163 183 HG11 VAL 28 1HG1 VAL 28 -2.596 -7.044 4.911 184 HG12 VAL 28 2HG1 VAL 28 -3.401 -5.508 4.582 185 HG13 VAL 28 3HG1 VAL 28 -1.803 -5.831 3.907 186 HG21 VAL 28 1HG2 VAL 28 -1.044 -3.748 4.845 187 HG22 VAL 28 2HG2 VAL 28 -2.461 -3.354 5.818 188 HG23 VAL 28 3HG2 VAL 28 -0.886 -3.541 6.588 189 H SER 29 H SER 29 -4.965 -6.597 7.740 190 HA SER 29 HA SER 29 -3.980 -9.364 7.795 191 HB2 SER 29 1HB SER 29 -5.157 -8.520 9.821 192 HB3 SER 29 2HB SER 29 -6.602 -8.271 8.842 193 HG SER 29 HG SER 29 -6.504 -10.308 10.011 194 H ASP 30 H ASP 30 -6.175 -7.200 6.182 195 HA ASP 30 HA ASP 30 -6.643 -9.224 4.138 196 HB2 ASP 30 1HB ASP 30 -8.538 -9.106 5.976 197 HB3 ASP 30 2HB ASP 30 -9.038 -7.688 5.056 198 H LEU 31 H LEU 31 -8.284 -8.022 2.449 199 HA LEU 31 HA LEU 31 -6.998 -5.430 1.896 200 HB2 LEU 31 1HB LEU 31 -7.739 -7.724 0.161 201 HB3 LEU 31 2HB LEU 31 -7.865 -6.103 -0.519 202 HG LEU 31 HG LEU 31 -5.457 -5.758 0.058 203 HD11 LEU 31 1HD1 LEU 31 -4.569 -8.407 0.172 204 HD12 LEU 31 2HD1 LEU 31 -5.862 -8.285 1.364 205 HD13 LEU 31 3HD1 LEU 31 -4.482 -7.189 1.444 206 HD21 LEU 31 1HD2 LEU 31 -4.713 -7.582 -1.701 207 HD22 LEU 31 2HD2 LEU 31 -5.683 -6.187 -2.173 208 HD23 LEU 31 3HD2 LEU 31 -6.456 -7.750 -1.909 209 H SER 32 H SER 32 -9.340 -5.744 3.514 210 HA SER 32 HA SER 32 -11.398 -4.552 1.777 211 HB2 SER 32 1HB SER 32 -11.934 -6.716 3.030 212 HB3 SER 32 2HB SER 32 -11.895 -5.748 4.503 213 HG SER 32 HG SER 32 -13.844 -5.155 4.039 214 H SER 33 H SER 33 -10.656 -4.471 5.263 215 HA SER 33 HA SER 33 -10.969 -1.543 5.158 216 HB2 SER 33 1HB SER 33 -12.673 -2.632 6.536 217 HB3 SER 33 2HB SER 33 -11.419 -3.437 7.479 218 HG SER 33 HG SER 33 -11.968 -0.660 7.336 219 H SER 34 H SER 34 -8.946 -4.189 6.179 220 HA SER 34 HA SER 34 -7.215 -3.105 7.969 221 HB2 SER 34 1HB SER 34 -6.879 -5.057 5.743 222 HB3 SER 34 2HB SER 34 -5.416 -4.437 6.507 223 HG SER 34 HG SER 34 -6.470 -5.058 8.546 224 H TRP 35 H TRP 35 -7.528 -2.279 4.604 225 HA TRP 35 HA TRP 35 -5.136 -0.597 4.707 226 HB2 TRP 35 1HB TRP 35 -6.968 -1.292 2.401 227 HB3 TRP 35 2HB TRP 35 -5.529 -0.284 2.277 228 HD1 TRP 35 HD TRP 35 -6.457 -3.923 3.247 229 HE1 TRP 35 1HE TRP 35 -4.485 -5.443 2.595 230 HE3 TRP 35 3HE TRP 35 -3.180 -0.350 1.624 231 HZ2 TRP 35 2HZ TRP 35 -1.885 -5.164 1.533 232 HZ3 TRP 35 3HZ TRP 35 -0.971 -1.060 0.806 233 HH2 TRP 35 HH TRP 35 -0.338 -3.418 0.764 234 H ALA 36 H ALA 36 -8.616 -0.416 4.609 235 HA ALA 36 HA ALA 36 -9.162 2.107 3.752 236 HB1 ALA 36 1HB ALA 36 -11.131 2.064 5.052 237 HB2 ALA 36 2HB ALA 36 -10.778 0.381 4.653 238 HB3 ALA 36 3HB ALA 36 -10.402 1.004 6.259 239 H ASP 37 H ASP 37 -7.973 1.206 6.970 240 HA ASP 37 HA ASP 37 -8.095 3.496 8.381 241 HB2 ASP 37 1HB ASP 37 -5.511 1.947 8.231 242 HB3 ASP 37 2HB ASP 37 -6.185 2.802 9.615 243 H GLY 38 H GLY 38 -5.605 2.783 5.941 244 HA2 GLY 38 1HA GLY 38 -5.033 4.640 4.422 245 HA3 GLY 38 2HA GLY 38 -5.049 5.684 5.836 246 H LEU 39 H LEU 39 -3.627 4.130 7.641 247 HA LEU 39 HA LEU 39 -1.000 4.798 7.087 248 HB2 LEU 39 1HB LEU 39 -2.339 2.995 9.021 249 HB3 LEU 39 2HB LEU 39 -0.597 2.814 8.819 250 HG LEU 39 HG LEU 39 -1.914 5.431 9.518 251 HD11 LEU 39 1HD1 LEU 39 -1.578 5.026 11.785 252 HD12 LEU 39 2HD1 LEU 39 -0.520 3.649 11.481 253 HD13 LEU 39 3HD1 LEU 39 -2.254 3.511 11.188 254 HD21 LEU 39 1HD2 LEU 39 0.458 5.222 8.490 255 HD22 LEU 39 2HD2 LEU 39 0.910 4.627 10.088 256 HD23 LEU 39 3HD2 LEU 39 0.217 6.240 9.910 257 H ALA 40 H ALA 40 -2.597 1.645 6.716 258 HA ALA 40 HA ALA 40 -0.680 -0.066 6.033 259 HB1 ALA 40 1HB ALA 40 -3.403 0.364 5.036 260 HB2 ALA 40 2HB ALA 40 -2.367 -0.587 3.970 261 HB3 ALA 40 3HB ALA 40 -2.629 -1.103 5.635 262 H LEU 41 H LEU 41 -2.131 1.957 3.475 263 HA LEU 41 HA LEU 41 -0.227 1.432 1.523 264 HB2 LEU 41 1HB LEU 41 -2.214 3.579 2.000 265 HB3 LEU 41 2HB LEU 41 -0.962 3.889 0.799 266 HG LEU 41 HG LEU 41 -2.768 1.481 0.709 267 HD11 LEU 41 1HD1 LEU 41 -4.434 2.750 -0.012 268 HD12 LEU 41 2HD1 LEU 41 -3.408 3.366 -1.308 269 HD13 LEU 41 3HD1 LEU 41 -3.457 4.196 0.248 270 HD21 LEU 41 1HD2 LEU 41 -0.669 2.656 -1.037 271 HD22 LEU 41 2HD2 LEU 41 -2.053 1.874 -1.803 272 HD23 LEU 41 3HD2 LEU 41 -1.034 0.967 -0.685 273 H CYS 42 H CYS 42 -0.275 3.934 4.016 274 HA CYS 42 HA CYS 42 1.904 5.446 3.166 275 HB2 CYS 42 1HB CYS 42 1.223 4.890 6.055 276 HB3 CYS 42 2HB CYS 42 2.005 6.320 5.392 277 HG CYS 42 HG CYS 42 -1.118 5.609 4.300 278 H ALA 43 H ALA 43 1.818 2.621 5.318 279 HA ALA 43 HA ALA 43 4.559 2.537 5.905 280 HB1 ALA 43 1HB ALA 43 3.959 -0.027 6.166 281 HB2 ALA 43 2HB ALA 43 3.389 1.183 7.316 282 HB3 ALA 43 3HB ALA 43 2.315 0.599 6.045 283 H LEU 44 H LEU 44 2.732 0.585 3.537 284 HA LEU 44 HA LEU 44 4.782 -0.798 2.375 285 HB2 LEU 44 1HB LEU 44 2.607 -1.307 1.676 286 HB3 LEU 44 2HB LEU 44 2.272 0.361 1.215 287 HG LEU 44 HG LEU 44 4.072 -0.030 -0.604 288 HD11 LEU 44 1HD1 LEU 44 4.498 -2.360 0.603 289 HD12 LEU 44 2HD1 LEU 44 4.721 -2.137 -1.133 290 HD13 LEU 44 3HD1 LEU 44 3.237 -2.869 -0.520 291 HD21 LEU 44 1HD2 LEU 44 1.653 -1.658 -1.151 292 HD22 LEU 44 2HD2 LEU 44 2.389 -0.365 -2.098 293 HD23 LEU 44 3HD2 LEU 44 1.418 0.025 -0.676 294 H VAL 45 H VAL 45 3.681 2.466 1.498 295 HA VAL 45 HA VAL 45 5.484 2.905 -0.600 296 HB VAL 45 HB VAL 45 4.291 4.943 1.287 297 HG11 VAL 45 1HG1 VAL 45 6.332 5.419 -0.386 298 HG12 VAL 45 2HG1 VAL 45 4.980 5.645 -1.498 299 HG13 VAL 45 3HG1 VAL 45 5.080 6.608 -0.024 300 HG21 VAL 45 1HG2 VAL 45 2.347 4.508 0.303 301 HG22 VAL 45 2HG2 VAL 45 3.048 4.970 -1.247 302 HG23 VAL 45 3HG2 VAL 45 3.108 3.288 -0.720 303 H TYR 46 H TYR 46 5.696 4.155 2.739 304 HA TYR 46 HA TYR 46 8.176 5.283 2.669 305 HB2 TYR 46 1HB TYR 46 6.850 3.735 4.895 306 HB3 TYR 46 2HB TYR 46 8.355 4.619 5.115 307 HD1 TYR 46 1HD TYR 46 8.103 7.129 3.935 308 HD2 TYR 46 2HD TYR 46 5.025 4.829 5.762 309 HE1 TYR 46 1HE TYR 46 6.832 9.188 4.373 310 HE2 TYR 46 2HE TYR 46 3.745 6.882 6.203 311 HH TYR 46 HH TYR 46 5.100 10.056 5.608 312 H ARG 47 H ARG 47 7.537 1.903 3.622 313 HA ARG 47 HA ARG 47 10.138 1.048 3.928 314 HB2 ARG 47 1HB ARG 47 7.575 -0.280 3.230 315 HB3 ARG 47 2HB ARG 47 9.048 -1.194 2.937 316 HG2 ARG 47 1HG ARG 47 8.150 -1.725 5.113 317 HG3 ARG 47 2HG ARG 47 9.693 -0.886 5.283 318 HD2 ARG 47 1HD ARG 47 7.204 0.739 5.293 319 HD3 ARG 47 2HD ARG 47 7.570 -0.225 6.724 320 HE ARG 47 HE ARG 47 8.798 2.202 5.988 321 HH11 ARG 47 2HH1 ARG 47 9.558 -0.934 7.293 322 HH12 ARG 47 1HH1 ARG 47 10.941 -0.376 8.174 323 HH21 ARG 47 2HH2 ARG 47 10.617 2.950 7.143 324 HH22 ARG 47 1HH2 ARG 47 11.543 1.833 8.089 325 H LEU 48 H LEU 48 8.183 0.607 0.973 326 HA LEU 48 HA LEU 48 9.892 -0.466 -0.765 327 HB2 LEU 48 1HB LEU 48 7.970 1.790 -1.115 328 HB3 LEU 48 2HB LEU 48 8.978 1.291 -2.473 329 HG LEU 48 HG LEU 48 7.172 -0.612 -0.996 330 HD11 LEU 48 1HD1 LEU 48 5.773 1.143 -1.882 331 HD12 LEU 48 2HD1 LEU 48 5.596 -0.308 -2.869 332 HD13 LEU 48 3HD1 LEU 48 6.578 1.038 -3.449 333 HD21 LEU 48 1HD2 LEU 48 8.238 -2.100 -2.254 334 HD22 LEU 48 2HD2 LEU 48 9.106 -0.833 -3.122 335 HD23 LEU 48 3HD2 LEU 48 7.505 -1.338 -3.666 336 H GLN 49 H GLN 49 9.998 2.931 0.233 337 HA GLN 49 HA GLN 49 12.772 3.041 -0.724 338 HB2 GLN 49 1HB GLN 49 11.228 4.175 -2.341 339 HB3 GLN 49 2HB GLN 49 10.789 5.295 -1.059 340 HG2 GLN 49 1HG GLN 49 13.105 6.047 -0.916 341 HG3 GLN 49 2HG GLN 49 13.549 4.922 -2.197 342 HE21 GLN 49 1HE2 GLN 49 11.445 5.230 -3.929 343 HE22 GLN 49 2HE2 GLN 49 11.458 6.831 -4.576 344 HA PRO 50 HA PRO 50 12.920 4.314 3.611 345 HB2 PRO 50 1HB PRO 50 15.584 3.862 3.872 346 HB3 PRO 50 2HB PRO 50 14.377 2.574 3.970 347 HG2 PRO 50 1HG PRO 50 16.109 3.376 1.663 348 HG3 PRO 50 2HG PRO 50 15.710 1.751 2.250 349 HD2 PRO 50 1HD PRO 50 14.485 2.868 0.110 350 HD3 PRO 50 2HD PRO 50 13.657 1.740 1.202 351 H GLY 51 H GLY 51 14.177 5.649 0.781 352 HA2 GLY 51 1HA GLY 51 15.779 7.708 2.022 353 HA3 GLY 51 2HA GLY 51 15.366 7.588 0.318 354 H LEU 52 H LEU 52 12.515 7.426 0.737 355 HA LEU 52 HA LEU 52 11.883 10.165 0.690 356 HB2 LEU 52 1HB LEU 52 10.303 7.639 0.808 357 HB3 LEU 52 2HB LEU 52 9.482 9.175 1.073 358 HG LEU 52 HG LEU 52 11.166 8.901 -1.362 359 HD11 LEU 52 1HD1 LEU 52 8.603 8.092 -2.118 360 HD12 LEU 52 2HD1 LEU 52 9.024 7.091 -0.729 361 HD13 LEU 52 3HD1 LEU 52 10.081 7.131 -2.141 362 HD21 LEU 52 1HD2 LEU 52 8.732 10.391 -0.485 363 HD22 LEU 52 2HD2 LEU 52 9.032 10.138 -2.205 364 HD23 LEU 52 3HD2 LEU 52 10.217 10.996 -1.218 365 H LEU 53 H LEU 53 10.620 11.416 2.150 366 HA LEU 53 HA LEU 53 11.456 11.533 4.741 367 HB2 LEU 53 1HB LEU 53 9.592 12.956 5.207 368 HB3 LEU 53 2HB LEU 53 10.147 13.269 3.564 369 HG LEU 53 HG LEU 53 7.854 13.313 3.324 370 HD11 LEU 53 1HD1 LEU 53 7.186 11.240 2.199 371 HD12 LEU 53 2HD1 LEU 53 8.599 10.427 2.870 372 HD13 LEU 53 3HD1 LEU 53 8.806 11.753 1.726 373 HD21 LEU 53 1HD2 LEU 53 7.423 12.558 5.665 374 HD22 LEU 53 2HD2 LEU 53 7.571 10.893 5.099 375 HD23 LEU 53 3HD2 LEU 53 6.284 11.926 4.475 376 H GLU 54 H GLU 54 9.967 11.307 6.732 377 HA GLU 54 HA GLU 54 8.855 8.582 6.696 378 HB2 GLU 54 1HB GLU 54 10.404 10.130 8.709 379 HB3 GLU 54 2HB GLU 54 9.189 9.012 9.312 380 HG2 GLU 54 1HG GLU 54 10.255 7.161 8.278 381 HG3 GLU 54 2HG GLU 54 11.342 8.214 7.375 382 HA PRO 55 HA PRO 55 4.848 9.963 7.826 383 HB2 PRO 55 1HB PRO 55 4.076 8.117 9.660 384 HB3 PRO 55 2HB PRO 55 4.217 7.757 7.935 385 HG2 PRO 55 1HG PRO 55 6.141 7.180 10.154 386 HG3 PRO 55 2HG PRO 55 5.646 6.141 8.805 387 HD2 PRO 55 1HD PRO 55 7.982 7.510 8.808 388 HD3 PRO 55 2HD PRO 55 7.073 7.176 7.320 389 H SER 56 H SER 56 7.380 10.469 9.775 390 HA SER 56 HA SER 56 6.814 10.785 12.345 391 HB2 SER 56 1HB SER 56 8.748 11.817 10.940 392 HB3 SER 56 2HB SER 56 7.728 13.254 10.895 393 HG SER 56 HG SER 56 9.367 12.716 12.758 394 H GLU 57 H GLU 57 5.298 12.648 9.776 395 HA GLU 57 HA GLU 57 3.746 14.204 11.684 396 HB2 GLU 57 1HB GLU 57 3.647 14.209 8.661 397 HB3 GLU 57 2HB GLU 57 2.875 15.374 9.728 398 HG2 GLU 57 1HG GLU 57 5.846 14.939 9.641 399 HG3 GLU 57 2HG GLU 57 5.007 16.127 8.645 400 H LEU 58 H LEU 58 3.259 11.697 9.240 401 HA LEU 58 HA LEU 58 0.490 11.565 9.236 402 HB2 LEU 58 1HB LEU 58 2.684 9.646 8.686 403 HB3 LEU 58 2HB LEU 58 1.063 8.986 8.896 404 HG LEU 58 HG LEU 58 0.298 10.533 7.074 405 HD11 LEU 58 1HD1 LEU 58 2.482 11.056 5.591 406 HD12 LEU 58 2HD1 LEU 58 3.144 11.278 7.211 407 HD13 LEU 58 3HD1 LEU 58 1.744 12.217 6.693 408 HD21 LEU 58 1HD2 LEU 58 0.481 8.706 5.833 409 HD22 LEU 58 2HD2 LEU 58 1.714 8.081 6.929 410 HD23 LEU 58 3HD2 LEU 58 2.182 9.062 5.539 411 H GLN 59 H GLN 59 2.725 10.639 11.690 412 HA GLN 59 HA GLN 59 1.346 8.685 13.082 413 HB2 GLN 59 1HB GLN 59 3.240 10.850 13.911 414 HB3 GLN 59 2HB GLN 59 2.450 9.876 15.144 415 HG2 GLN 59 1HG GLN 59 3.343 7.845 14.027 416 HG3 GLN 59 2HG GLN 59 4.240 8.898 12.933 417 HE21 GLN 59 1HE2 GLN 59 4.559 7.055 15.569 418 HE22 GLN 59 2HE2 GLN 59 5.865 7.861 16.362 419 H GLY 60 H GLY 60 0.944 12.199 13.182 420 HA2 GLY 60 1HA GLY 60 -1.425 11.805 14.900 421 HA3 GLY 60 2HA GLY 60 -0.477 13.284 14.838 422 H LEU 61 H LEU 61 -1.771 11.272 12.212 423 HA LEU 61 HA LEU 61 -3.236 13.645 11.259 424 HB2 LEU 61 1HB LEU 61 -1.655 11.561 9.861 425 HB3 LEU 61 2HB LEU 61 -3.087 12.181 9.042 426 HG LEU 61 HG LEU 61 -0.779 13.871 10.003 427 HD11 LEU 61 1HD1 LEU 61 -1.028 12.211 7.699 428 HD12 LEU 61 2HD1 LEU 61 0.296 13.280 8.159 429 HD13 LEU 61 3HD1 LEU 61 -1.042 13.902 7.194 430 HD21 LEU 61 1HD2 LEU 61 -2.592 14.902 7.956 431 HD22 LEU 61 2HD2 LEU 61 -1.942 15.684 9.398 432 HD23 LEU 61 3HD2 LEU 61 -3.359 14.639 9.523 433 H GLY 62 H GLY 62 -4.998 12.802 9.559 434 HA2 GLY 62 1HA GLY 62 -6.757 11.098 11.153 435 HA3 GLY 62 2HA GLY 62 -7.235 12.103 9.791 436 H ALA 63 H ALA 63 -8.018 9.404 10.186 437 HA ALA 63 HA ALA 63 -6.610 7.422 8.948 438 HB1 ALA 63 1HB ALA 63 -9.436 7.515 8.144 439 HB2 ALA 63 2HB ALA 63 -8.531 6.253 8.980 440 HB3 ALA 63 3HB ALA 63 -9.141 7.644 9.878 441 H LEU 64 H LEU 64 -8.392 10.047 7.414 442 HA LEU 64 HA LEU 64 -7.949 9.031 4.753 443 HB2 LEU 64 1HB LEU 64 -9.851 10.594 5.737 444 HB3 LEU 64 2HB LEU 64 -8.726 11.857 5.243 445 HG LEU 64 HG LEU 64 -8.841 11.116 2.945 446 HD11 LEU 64 1HD1 LEU 64 -10.990 9.301 2.953 447 HD12 LEU 64 2HD1 LEU 64 -9.819 8.706 4.128 448 HD13 LEU 64 3HD1 LEU 64 -9.321 9.008 2.464 449 HD21 LEU 64 1HD2 LEU 64 -10.979 11.896 2.444 450 HD22 LEU 64 2HD2 LEU 64 -10.634 12.609 4.020 451 HD23 LEU 64 3HD2 LEU 64 -11.682 11.195 3.901 452 H GLU 65 H GLU 65 -6.841 11.901 6.559 453 HA GLU 65 HA GLU 65 -5.167 13.090 4.815 454 HB2 GLU 65 1HB GLU 65 -4.571 12.517 7.723 455 HB3 GLU 65 2HB GLU 65 -3.714 13.696 6.741 456 HG2 GLU 65 1HG GLU 65 -6.548 13.763 7.701 457 HG3 GLU 65 2HG GLU 65 -5.263 14.943 7.955 458 H ALA 66 H ALA 66 -4.543 10.078 6.523 459 HA ALA 66 HA ALA 66 -1.832 9.783 5.846 460 HB1 ALA 66 1HB ALA 66 -1.974 7.675 6.735 461 HB2 ALA 66 2HB ALA 66 -3.374 8.440 7.488 462 HB3 ALA 66 3HB ALA 66 -3.590 7.390 6.087 463 H THR 67 H THR 67 -4.535 7.930 4.440 464 HA THR 67 HA THR 67 -3.313 6.796 2.312 465 HB THR 67 HB THR 67 -6.047 8.072 2.130 466 HG1 THR 67 1HG THR 67 -6.000 6.750 3.945 467 HG21 THR 67 1HG2 THR 67 -4.837 5.692 0.714 468 HG22 THR 67 2HG2 THR 67 -5.197 7.261 -0.008 469 HG23 THR 67 3HG2 THR 67 -6.509 6.232 0.564 470 H ALA 68 H ALA 68 -4.411 10.141 2.523 471 HA ALA 68 HA ALA 68 -4.158 10.971 -0.088 472 HB1 ALA 68 1HB ALA 68 -3.081 12.837 1.926 473 HB2 ALA 68 2HB ALA 68 -4.347 13.070 0.719 474 HB3 ALA 68 3HB ALA 68 -4.708 12.224 2.225 475 H TRP 69 H TRP 69 -1.596 11.067 2.394 476 HA TRP 69 HA TRP 69 0.462 11.961 0.745 477 HB2 TRP 69 1HB TRP 69 0.724 11.943 3.146 478 HB3 TRP 69 2HB TRP 69 0.569 10.189 3.193 479 HD1 TRP 69 HD TRP 69 3.064 12.954 2.333 480 HE1 TRP 69 1HE TRP 69 5.413 11.917 2.152 481 HE3 TRP 69 3HE TRP 69 1.797 8.011 2.651 482 HZ2 TRP 69 2HZ TRP 69 6.576 9.345 2.145 483 HZ3 TRP 69 3HZ TRP 69 3.588 6.326 2.548 484 HH2 TRP 69 HH TRP 69 5.926 6.982 2.300 485 H ALA 70 H ALA 70 -0.034 8.595 1.829 486 HA ALA 70 HA ALA 70 1.791 7.249 0.395 487 HB1 ALA 70 1HB ALA 70 0.482 5.337 0.569 488 HB2 ALA 70 2HB ALA 70 -0.124 6.359 1.872 489 HB3 ALA 70 3HB ALA 70 -1.024 6.230 0.361 490 H LEU 71 H LEU 71 -1.444 7.992 -0.922 491 HA LEU 71 HA LEU 71 -0.983 7.089 -3.511 492 HB2 LEU 71 1HB LEU 71 -2.787 9.275 -2.496 493 HB3 LEU 71 2HB LEU 71 -2.815 8.679 -4.154 494 HG LEU 71 HG LEU 71 -3.292 6.876 -1.795 495 HD11 LEU 71 1HD1 LEU 71 -5.665 7.182 -2.107 496 HD12 LEU 71 2HD1 LEU 71 -5.376 8.346 -3.401 497 HD13 LEU 71 3HD1 LEU 71 -4.911 8.736 -1.745 498 HD21 LEU 71 1HD2 LEU 71 -4.582 6.397 -4.384 499 HD22 LEU 71 2HD2 LEU 71 -3.746 5.281 -3.305 500 HD23 LEU 71 3HD2 LEU 71 -2.821 6.298 -4.410 501 H LYS 72 H LYS 72 -0.106 10.097 -1.972 502 HA LYS 72 HA LYS 72 0.570 11.468 -4.395 503 HB2 LYS 72 1HB LYS 72 -0.031 12.466 -2.079 504 HB3 LYS 72 2HB LYS 72 1.657 12.172 -1.683 505 HG2 LYS 72 1HG LYS 72 2.337 13.577 -3.571 506 HG3 LYS 72 2HG LYS 72 0.639 13.888 -3.940 507 HD2 LYS 72 1HD LYS 72 0.321 15.060 -1.901 508 HD3 LYS 72 2HD LYS 72 1.877 14.519 -1.269 509 HE2 LYS 72 1HE LYS 72 2.056 16.819 -1.968 510 HE3 LYS 72 2HE LYS 72 3.006 15.804 -3.054 511 HZ1 LYS 72 1HZ LYS 72 1.613 16.186 -4.784 512 HZ2 LYS 72 2HZ LYS 72 1.358 17.635 -3.947 513 HZ3 LYS 72 3HZ LYS 72 0.241 16.371 -3.810 514 H VAL 73 H VAL 73 2.604 10.301 -1.702 515 HA VAL 73 HA VAL 73 5.052 10.597 -3.023 516 HB VAL 73 HB VAL 73 4.242 8.763 -0.771 517 HG11 VAL 73 1HG1 VAL 73 6.077 7.615 -1.561 518 HG12 VAL 73 2HG1 VAL 73 6.865 9.074 -2.163 519 HG13 VAL 73 3HG1 VAL 73 6.827 8.741 -0.430 520 HG21 VAL 73 1HG2 VAL 73 5.440 11.482 -0.988 521 HG22 VAL 73 2HG2 VAL 73 4.186 10.886 0.100 522 HG23 VAL 73 3HG2 VAL 73 5.875 10.465 0.384 523 H ALA 74 H ALA 74 2.586 8.258 -3.421 524 HA ALA 74 HA ALA 74 4.385 6.340 -4.700 525 HB1 ALA 74 1HB ALA 74 1.426 6.151 -4.145 526 HB2 ALA 74 2HB ALA 74 2.443 4.863 -4.793 527 HB3 ALA 74 3HB ALA 74 2.712 5.461 -3.155 528 H GLU 75 H GLU 75 2.970 9.098 -5.614 529 HA GLU 75 HA GLU 75 2.426 8.119 -8.341 530 HB2 GLU 75 1HB GLU 75 0.435 9.034 -7.089 531 HB3 GLU 75 2HB GLU 75 1.239 10.597 -7.091 532 HG2 GLU 75 1HG GLU 75 0.858 9.186 -9.679 533 HG3 GLU 75 2HG GLU 75 -0.528 9.969 -8.922 534 H ASN 76 H ASN 76 4.054 10.437 -6.330 535 HA ASN 76 HA ASN 76 5.019 11.975 -8.600 536 HB2 ASN 76 1HB ASN 76 5.368 12.217 -5.616 537 HB3 ASN 76 2HB ASN 76 6.313 13.190 -6.740 538 HD21 ASN 76 1HD2 ASN 76 3.389 12.867 -5.088 539 HD22 ASN 76 2HD2 ASN 76 2.544 14.184 -5.822 540 H GLU 77 H GLU 77 6.356 9.886 -6.056 541 HA GLU 77 HA GLU 77 8.939 9.850 -7.411 542 HB2 GLU 77 1HB GLU 77 7.957 8.949 -4.728 543 HB3 GLU 77 2HB GLU 77 9.454 8.290 -5.372 544 HG2 GLU 77 1HG GLU 77 9.980 10.858 -5.756 545 HG3 GLU 77 2HG GLU 77 8.834 11.027 -4.426 546 H LEU 78 H LEU 78 6.998 7.282 -5.883 547 HA LEU 78 HA LEU 78 8.081 5.185 -7.366 548 HB2 LEU 78 1HB LEU 78 5.258 5.184 -6.351 549 HB3 LEU 78 2HB LEU 78 6.378 3.830 -6.486 550 HG LEU 78 HG LEU 78 6.525 6.082 -4.484 551 HD11 LEU 78 1HD1 LEU 78 4.756 4.512 -3.979 552 HD12 LEU 78 2HD1 LEU 78 6.095 4.289 -2.854 553 HD13 LEU 78 3HD1 LEU 78 5.863 3.155 -4.186 554 HD21 LEU 78 1HD2 LEU 78 8.726 5.122 -5.356 555 HD22 LEU 78 2HD2 LEU 78 8.254 3.626 -4.547 556 HD23 LEU 78 3HD2 LEU 78 8.468 5.106 -3.611 557 H GLY 79 H GLY 79 5.609 7.481 -8.173 558 HA2 GLY 79 1HA GLY 79 4.729 7.947 -10.268 559 HA3 GLY 79 2HA GLY 79 5.596 6.558 -10.906 560 H ILE 80 H ILE 80 4.169 5.187 -8.423 561 HA ILE 80 HA ILE 80 2.242 3.811 -9.909 562 HB ILE 80 HB ILE 80 2.472 4.143 -6.917 563 HG12 ILE 80 1HG1 ILE 80 4.414 3.061 -7.838 564 HG13 ILE 80 2HG1 ILE 80 3.419 1.826 -7.076 565 HG21 ILE 80 1HG2 ILE 80 0.912 2.034 -8.394 566 HG22 ILE 80 2HG2 ILE 80 0.963 2.324 -6.655 567 HG23 ILE 80 3HG2 ILE 80 0.186 3.494 -7.722 568 HD11 ILE 80 1HD1 ILE 80 2.501 1.300 -9.339 569 HD12 ILE 80 2HD1 ILE 80 3.714 2.390 -10.011 570 HD13 ILE 80 3HD1 ILE 80 4.216 0.949 -9.127 571 H THR 81 H THR 81 0.920 5.316 -10.968 572 HA THR 81 HA THR 81 -0.462 7.441 -9.877 573 HB THR 81 HB THR 81 -1.499 5.578 -12.022 574 HG1 THR 81 1HG THR 81 -0.548 7.491 -13.289 575 HG21 THR 81 1HG2 THR 81 -2.774 7.514 -12.785 576 HG22 THR 81 2HG2 THR 81 -2.137 8.475 -11.452 577 HG23 THR 81 3HG2 THR 81 -3.201 7.107 -11.123 578 HA PRO 82 HA PRO 82 -3.271 5.544 -7.032 579 HB2 PRO 82 1HB PRO 82 -4.853 7.711 -6.616 580 HB3 PRO 82 2HB PRO 82 -3.237 7.551 -5.914 581 HG2 PRO 82 1HG PRO 82 -4.106 9.069 -8.345 582 HG3 PRO 82 2HG PRO 82 -2.985 9.559 -7.061 583 HD2 PRO 82 1HD PRO 82 -2.137 8.642 -9.464 584 HD3 PRO 82 2HD PRO 82 -1.232 8.363 -7.962 585 H VAL 83 H VAL 83 -4.408 4.041 -8.227 586 HA VAL 83 HA VAL 83 -6.290 4.725 -10.248 587 HB VAL 83 HB VAL 83 -5.066 2.469 -9.850 588 HG11 VAL 83 1HG1 VAL 83 -7.542 1.589 -8.486 589 HG12 VAL 83 2HG1 VAL 83 -5.896 0.965 -8.366 590 HG13 VAL 83 3HG1 VAL 83 -6.346 2.440 -7.509 591 HG21 VAL 83 1HG2 VAL 83 -6.306 1.962 -11.620 592 HG22 VAL 83 2HG2 VAL 83 -7.650 1.548 -10.556 593 HG23 VAL 83 3HG2 VAL 83 -7.484 3.194 -11.168 594 H VAL 84 H VAL 84 -6.476 4.263 -6.792 595 HA VAL 84 HA VAL 84 -9.385 4.732 -6.913 596 HB VAL 84 HB VAL 84 -7.767 3.284 -4.816 597 HG11 VAL 84 1HG1 VAL 84 -9.561 4.752 -3.868 598 HG12 VAL 84 2HG1 VAL 84 -10.735 3.800 -4.779 599 HG13 VAL 84 3HG1 VAL 84 -9.757 3.032 -3.527 600 HG21 VAL 84 1HG2 VAL 84 -9.436 1.453 -5.421 601 HG22 VAL 84 2HG2 VAL 84 -9.816 2.428 -6.841 602 HG23 VAL 84 3HG2 VAL 84 -8.179 1.815 -6.604 603 H SER 85 H SER 85 -10.226 6.436 -5.845 604 HA SER 85 HA SER 85 -8.485 8.508 -4.967 605 HB2 SER 85 1HB SER 85 -11.473 8.153 -4.980 606 HB3 SER 85 2HB SER 85 -10.731 9.548 -4.201 607 HG SER 85 HG SER 85 -9.563 9.559 -6.436 608 H ALA 86 H ALA 86 -7.740 8.975 -2.997 609 HA ALA 86 HA ALA 86 -7.494 7.349 -0.905 610 HB1 ALA 86 1HB ALA 86 -7.456 10.231 -1.213 611 HB2 ALA 86 2HB ALA 86 -7.940 9.742 0.412 612 HB3 ALA 86 3HB ALA 86 -6.407 9.181 -0.259 613 H GLN 87 H GLN 87 -10.293 9.498 -1.345 614 HA GLN 87 HA GLN 87 -11.681 8.929 0.971 615 HB2 GLN 87 1HB GLN 87 -12.309 10.635 -0.745 616 HB3 GLN 87 2HB GLN 87 -12.924 9.331 -1.753 617 HG2 GLN 87 1HG GLN 87 -14.542 8.753 -0.012 618 HG3 GLN 87 2HG GLN 87 -13.933 10.075 0.984 619 HE21 GLN 87 1HE2 GLN 87 -16.608 9.643 -0.053 620 HE22 GLN 87 2HE2 GLN 87 -16.989 11.029 -1.010 621 H ALA 88 H ALA 88 -12.051 7.286 -2.173 622 HA ALA 88 HA ALA 88 -13.874 5.348 -1.385 623 HB1 ALA 88 1HB ALA 88 -13.137 4.067 -3.316 624 HB2 ALA 88 2HB ALA 88 -13.265 5.779 -3.718 625 HB3 ALA 88 3HB ALA 88 -11.681 5.056 -3.435 626 H VAL 89 H VAL 89 -10.328 5.256 -1.285 627 HA VAL 89 HA VAL 89 -9.947 2.636 -0.481 628 HB VAL 89 HB VAL 89 -8.371 5.077 0.342 629 HG11 VAL 89 1HG1 VAL 89 -7.849 3.320 1.872 630 HG12 VAL 89 2HG1 VAL 89 -7.721 2.143 0.562 631 HG13 VAL 89 3HG1 VAL 89 -6.526 3.431 0.713 632 HG21 VAL 89 1HG2 VAL 89 -7.272 4.960 -1.618 633 HG22 VAL 89 2HG2 VAL 89 -7.299 3.197 -1.647 634 HG23 VAL 89 3HG2 VAL 89 -8.716 4.108 -2.166 635 H VAL 90 H VAL 90 -10.099 5.478 1.676 636 HA VAL 90 HA VAL 90 -10.271 3.912 4.042 637 HB VAL 90 HB VAL 90 -10.992 6.816 3.618 638 HG11 VAL 90 1HG1 VAL 90 -12.005 5.869 5.639 639 HG12 VAL 90 2HG1 VAL 90 -10.415 5.319 6.172 640 HG13 VAL 90 3HG1 VAL 90 -10.749 7.044 6.027 641 HG21 VAL 90 1HG2 VAL 90 -8.795 7.066 3.314 642 HG22 VAL 90 2HG2 VAL 90 -8.622 6.683 5.027 643 HG23 VAL 90 3HG2 VAL 90 -8.455 5.410 3.818 644 H ALA 91 H ALA 91 -12.699 6.045 2.522 645 HA ALA 91 HA ALA 91 -14.896 5.572 3.992 646 HB1 ALA 91 1HB ALA 91 -14.989 7.019 2.083 647 HB2 ALA 91 2HB ALA 91 -14.758 5.660 0.983 648 HB3 ALA 91 3HB ALA 91 -16.247 5.795 1.917 649 H GLY 92 H GLY 92 -13.698 3.395 1.446 650 HA2 GLY 92 1HA GLY 92 -13.825 1.057 1.468 651 HA3 GLY 92 2HA GLY 92 -14.950 1.152 2.815 652 H SER 93 H SER 93 -15.224 2.860 -0.258 653 HA SER 93 HA SER 93 -17.844 1.634 -0.644 654 HB2 SER 93 1HB SER 93 -17.725 4.063 -0.826 655 HB3 SER 93 2HB SER 93 -16.493 3.931 -2.081 656 HG SER 93 HG SER 93 -18.310 4.134 -3.225 657 H ASP 94 H ASP 94 -14.772 2.051 -2.357 658 HA ASP 94 HA ASP 94 -15.632 -0.021 -4.267 659 HB2 ASP 94 1HB ASP 94 -13.443 2.036 -4.628 660 HB3 ASP 94 2HB ASP 94 -14.027 0.900 -5.841 661 HA PRO 95 HA PRO 95 -12.483 -2.145 -1.707 662 HB2 PRO 95 1HB PRO 95 -13.587 -4.604 -2.025 663 HB3 PRO 95 2HB PRO 95 -14.137 -3.455 -0.799 664 HG2 PRO 95 1HG PRO 95 -15.309 -4.065 -3.486 665 HG3 PRO 95 2HG PRO 95 -16.133 -3.824 -1.934 666 HD2 PRO 95 1HD PRO 95 -15.984 -1.887 -3.821 667 HD3 PRO 95 2HD PRO 95 -16.011 -1.527 -2.083 668 H LEU 96 H LEU 96 -13.762 -2.841 -4.906 669 HA LEU 96 HA LEU 96 -11.765 -4.690 -5.691 670 HB2 LEU 96 1HB LEU 96 -13.756 -2.997 -7.141 671 HB3 LEU 96 2HB LEU 96 -12.515 -3.865 -8.043 672 HG LEU 96 HG LEU 96 -13.468 -5.905 -6.624 673 HD11 LEU 96 1HD1 LEU 96 -16.005 -4.413 -7.092 674 HD12 LEU 96 2HD1 LEU 96 -15.114 -4.161 -5.592 675 HD13 LEU 96 3HD1 LEU 96 -15.680 -5.776 -6.022 676 HD21 LEU 96 1HD2 LEU 96 -14.832 -6.480 -8.548 677 HD22 LEU 96 2HD2 LEU 96 -13.314 -5.750 -9.070 678 HD23 LEU 96 3HD2 LEU 96 -14.803 -4.803 -9.094 679 H GLY 97 H GLY 97 -12.161 -1.206 -6.336 680 HA2 GLY 97 1HA GLY 97 -9.961 -0.716 -7.890 681 HA3 GLY 97 2HA GLY 97 -10.573 0.421 -6.699 682 H LEU 98 H LEU 98 -9.975 -0.528 -4.327 683 HA LEU 98 HA LEU 98 -7.342 0.042 -3.876 684 HB2 LEU 98 1HB LEU 98 -8.988 -0.109 -2.101 685 HB3 LEU 98 2HB LEU 98 -9.095 -1.855 -2.322 686 HG LEU 98 HG LEU 98 -6.823 -2.123 -1.506 687 HD11 LEU 98 1HD1 LEU 98 -5.492 -0.307 -0.730 688 HD12 LEU 98 2HD1 LEU 98 -6.799 0.845 -0.999 689 HD13 LEU 98 3HD1 LEU 98 -6.007 0.076 -2.373 690 HD21 LEU 98 1HD2 LEU 98 -9.043 -1.287 0.001 691 HD22 LEU 98 2HD2 LEU 98 -7.639 -0.468 0.687 692 HD23 LEU 98 3HD2 LEU 98 -7.654 -2.227 0.549 693 H ILE 99 H ILE 99 -8.685 -3.263 -4.009 694 HA ILE 99 HA ILE 99 -6.356 -4.700 -3.797 695 HB ILE 99 HB ILE 99 -8.703 -5.374 -5.574 696 HG12 ILE 99 1HG1 ILE 99 -8.182 -6.312 -2.753 697 HG13 ILE 99 2HG1 ILE 99 -9.159 -4.894 -3.115 698 HG21 ILE 99 1HG2 ILE 99 -7.344 -7.612 -4.370 699 HG22 ILE 99 2HG2 ILE 99 -7.711 -7.301 -6.066 700 HG23 ILE 99 3HG2 ILE 99 -6.236 -6.653 -5.350 701 HD11 ILE 99 1HD1 ILE 99 -10.461 -6.554 -4.650 702 HD12 ILE 99 2HD1 ILE 99 -9.737 -7.770 -3.597 703 HD13 ILE 99 3HD1 ILE 99 -10.763 -6.509 -2.914 704 H ALA 100 H ALA 100 -7.838 -3.488 -6.798 705 HA ALA 100 HA ALA 100 -5.832 -4.445 -8.531 706 HB1 ALA 100 1HB ALA 100 -8.006 -2.419 -8.746 707 HB2 ALA 100 2HB ALA 100 -6.769 -2.488 -10.002 708 HB3 ALA 100 3HB ALA 100 -7.756 -3.909 -9.658 709 H TYR 101 H TYR 101 -6.095 -1.553 -6.589 710 HA TYR 101 HA TYR 101 -4.088 -0.033 -7.869 711 HB2 TYR 101 1HB TYR 101 -5.732 0.950 -6.323 712 HB3 TYR 101 2HB TYR 101 -5.006 0.062 -4.987 713 HD1 TYR 101 1HD TYR 101 -3.342 1.910 -7.760 714 HD2 TYR 101 2HD TYR 101 -4.143 1.715 -3.587 715 HE1 TYR 101 1HE TYR 101 -1.781 3.772 -7.379 716 HE2 TYR 101 2HE TYR 101 -2.586 3.577 -3.194 717 HH TYR 101 HH TYR 101 -1.387 5.527 -5.683 718 H LEU 102 H LEU 102 -3.973 -2.025 -4.916 719 HA LEU 102 HA LEU 102 -1.302 -1.736 -4.294 720 HB2 LEU 102 1HB LEU 102 -2.967 -4.234 -4.025 721 HB3 LEU 102 2HB LEU 102 -1.466 -3.897 -3.163 722 HG LEU 102 HG LEU 102 -3.975 -2.251 -2.864 723 HD11 LEU 102 1HD1 LEU 102 -4.801 -3.712 -1.409 724 HD12 LEU 102 2HD1 LEU 102 -3.249 -3.877 -0.588 725 HD13 LEU 102 3HD1 LEU 102 -3.607 -4.867 -2.004 726 HD21 LEU 102 1HD2 LEU 102 -1.446 -2.422 -1.227 727 HD22 LEU 102 2HD2 LEU 102 -2.859 -1.438 -0.845 728 HD23 LEU 102 3HD2 LEU 102 -1.909 -1.093 -2.291 729 H SER 103 H SER 103 -2.803 -3.907 -6.633 730 HA SER 103 HA SER 103 -0.712 -5.576 -7.261 731 HB2 SER 103 1HB SER 103 -1.882 -6.128 -9.170 732 HB3 SER 103 2HB SER 103 -3.159 -5.333 -8.250 733 HG SER 103 HG SER 103 -1.631 -4.312 -10.395 734 H HIS 104 H HIS 104 -1.225 -2.245 -8.274 735 HA HIS 104 HA HIS 104 0.772 -2.086 -10.232 736 HB2 HIS 104 1HB HIS 104 -0.406 0.006 -8.401 737 HB3 HIS 104 2HB HIS 104 0.754 0.390 -9.670 738 HD1 HIS 104 1HD HIS 104 -0.741 1.667 -11.232 739 HD2 HIS 104 2HD HIS 104 -2.319 -2.026 -10.169 740 HE1 HIS 104 1HE HIS 104 -2.753 1.346 -12.706 741 HE2 HIS 104 2HE HIS 104 -3.741 -0.856 -11.985 742 H PHE 105 H PHE 105 0.906 -1.693 -6.730 743 HA PHE 105 HA PHE 105 3.580 -0.764 -6.615 744 HB2 PHE 105 1HB PHE 105 1.743 -2.033 -4.594 745 HB3 PHE 105 2HB PHE 105 3.403 -1.607 -4.192 746 HD1 PHE 105 2HD PHE 105 4.097 0.715 -4.064 747 HD2 PHE 105 1HD PHE 105 0.070 -0.341 -4.946 748 HE1 PHE 105 2HE PHE 105 3.391 3.022 -3.581 749 HE2 PHE 105 1HE PHE 105 -0.643 1.964 -4.465 750 HZ PHE 105 HZ PHE 105 1.018 3.649 -3.779 751 H HIS 106 H HIS 106 2.169 -3.984 -6.043 752 HA HIS 106 HA HIS 106 4.650 -5.291 -5.670 753 HB2 HIS 106 1HB HIS 106 2.478 -6.200 -4.893 754 HB3 HIS 106 2HB HIS 106 2.018 -6.481 -6.569 755 HD1 HIS 106 1HD HIS 106 1.897 -9.008 -6.432 756 HD2 HIS 106 2HD HIS 106 5.557 -7.482 -5.193 757 HE1 HIS 106 1HE HIS 106 3.411 -11.002 -6.193 758 HE2 HIS 106 2HE HIS 106 5.595 -10.063 -5.361 759 H SER 107 H SER 107 2.391 -5.632 -8.412 760 HA SER 107 HA SER 107 3.797 -7.034 -10.188 761 HB2 SER 107 1HB SER 107 1.578 -5.862 -10.578 762 HB3 SER 107 2HB SER 107 2.508 -4.432 -11.028 763 HG SER 107 HG SER 107 3.267 -5.462 -12.789 764 H ALA 108 H ALA 108 4.507 -3.720 -9.275 765 HA ALA 108 HA ALA 108 6.650 -3.494 -11.218 766 HB1 ALA 108 1HB ALA 108 6.785 -1.252 -10.650 767 HB2 ALA 108 2HB ALA 108 5.074 -1.608 -10.411 768 HB3 ALA 108 3HB ALA 108 6.159 -1.522 -9.023 769 H PHE 109 H PHE 109 6.352 -3.479 -7.668 770 HA PHE 109 HA PHE 109 9.234 -3.919 -7.443 771 HB2 PHE 109 1HB PHE 109 7.109 -3.182 -5.432 772 HB3 PHE 109 2HB PHE 109 8.749 -3.618 -4.959 773 HD1 PHE 109 2HD PHE 109 10.662 -2.255 -6.000 774 HD2 PHE 109 1HD PHE 109 6.595 -0.996 -5.993 775 HE1 PHE 109 2HE PHE 109 11.384 0.069 -6.365 776 HE2 PHE 109 1HE PHE 109 7.311 1.330 -6.358 777 HZ PHE 109 HZ PHE 109 9.708 1.864 -6.543 778 H LYS 110 H LYS 110 7.849 -6.061 -8.516 779 HA LYS 110 HA LYS 110 7.066 -7.976 -6.572 780 HB2 LYS 110 1HB LYS 110 7.636 -7.998 -9.492 781 HB3 LYS 110 2HB LYS 110 7.671 -9.541 -8.651 782 HG2 LYS 110 1HG LYS 110 5.358 -8.675 -7.710 783 HG3 LYS 110 2HG LYS 110 5.390 -7.725 -9.198 784 HD2 LYS 110 1HD LYS 110 6.042 -10.051 -10.259 785 HD3 LYS 110 2HD LYS 110 5.228 -10.675 -8.823 786 HE2 LYS 110 1HE LYS 110 3.471 -10.551 -10.298 787 HE3 LYS 110 2HE LYS 110 3.361 -8.973 -9.518 788 HZ1 LYS 110 1HZ LYS 110 3.294 -8.307 -11.662 789 HZ2 LYS 110 2HZ LYS 110 4.147 -9.648 -12.242 790 HZ3 LYS 110 3HZ LYS 110 4.979 -8.370 -11.510 791 H SER 111 H SER 111 10.092 -7.357 -8.298 792 HA SER 111 HA SER 111 11.444 -9.593 -7.103 793 HB2 SER 111 1HB SER 111 13.426 -8.755 -8.240 794 HB3 SER 111 2HB SER 111 12.052 -8.711 -9.345 795 HG SER 111 HG SER 111 12.579 -6.695 -9.584 796 H GLY 112 H GLY 112 11.926 -9.594 -5.007 797 HA2 GLY 112 1HA GLY 112 12.625 -7.050 -3.707 798 HA3 GLY 112 2HA GLY 112 12.099 -8.510 -2.882 799 HA PRO 113 HA PRO 113 16.731 -8.132 -2.550 800 HB2 PRO 113 1HB PRO 113 16.819 -8.449 0.145 801 HB3 PRO 113 2HB PRO 113 16.606 -6.876 -0.631 802 HG2 PRO 113 1HG PRO 113 14.550 -8.686 0.576 803 HG3 PRO 113 2HG PRO 113 14.709 -6.925 0.713 804 HD2 PRO 113 1HD PRO 113 12.948 -8.102 -0.974 805 HD3 PRO 113 2HD PRO 113 13.731 -6.551 -1.340 806 H SER 114 H SER 114 14.292 -10.392 -1.696 807 HA SER 114 HA SER 114 16.059 -12.480 -0.817 808 HB2 SER 114 1HB SER 114 13.579 -12.191 -0.201 809 HB3 SER 114 2HB SER 114 13.232 -12.879 -1.788 810 HG SER 114 HG SER 114 14.631 -14.081 0.363 811 H SER 115 H SER 115 14.014 -12.055 -3.710 812 HA SER 115 HA SER 115 14.718 -14.244 -5.164 813 HB2 SER 115 1HB SER 115 13.156 -12.258 -5.772 814 HB3 SER 115 2HB SER 115 14.593 -11.562 -6.522 815 HG SER 115 HG SER 115 13.124 -12.981 -7.835 816 H GLY 116 H GLY 116 16.554 -15.069 -5.907 817 HA2 GLY 116 1HA GLY 116 19.051 -13.806 -5.556 818 HA3 GLY 116 2HA GLY 116 18.765 -15.267 -6.490 Start of MODEL 13 1 H1 GLY 1 H GLY 1 12.893 -18.393 -14.595 2 HA2 GLY 1 1HA GLY 1 10.306 -19.199 -13.417 3 HA3 GLY 1 2HA GLY 1 11.236 -17.856 -12.768 4 H SER 2 H SER 2 8.856 -18.792 -14.971 5 HA SER 2 HA SER 2 9.131 -16.756 -16.920 6 HB2 SER 2 1HB SER 2 7.719 -18.903 -17.041 7 HB3 SER 2 2HB SER 2 6.504 -18.006 -16.130 8 HG SER 2 HG SER 2 7.462 -16.581 -18.237 9 H SER 3 H SER 3 8.414 -14.698 -16.994 10 HA SER 3 HA SER 3 7.404 -13.557 -14.509 11 HB2 SER 3 1HB SER 3 9.349 -12.632 -16.030 12 HB3 SER 3 2HB SER 3 8.017 -11.903 -16.927 13 HG SER 3 HG SER 3 8.875 -10.563 -15.230 14 H GLY 4 H GLY 4 5.258 -13.660 -14.281 15 HA2 GLY 4 1HA GLY 4 3.386 -12.148 -15.377 16 HA3 GLY 4 2HA GLY 4 3.529 -13.382 -16.618 17 H SER 5 H SER 5 2.724 -12.810 -13.236 18 HA SER 5 HA SER 5 1.184 -15.325 -13.258 19 HB2 SER 5 1HB SER 5 3.099 -15.294 -11.651 20 HB3 SER 5 2HB SER 5 2.339 -13.930 -10.832 21 HG SER 5 HG SER 5 1.179 -16.498 -11.188 22 H SER 6 H SER 6 -0.918 -15.292 -12.576 23 HA SER 6 HA SER 6 -2.036 -12.818 -11.510 24 HB2 SER 6 1HB SER 6 -3.105 -14.128 -14.022 25 HB3 SER 6 2HB SER 6 -3.823 -12.747 -13.191 26 HG SER 6 HG SER 6 -1.486 -11.905 -13.553 27 H GLY 7 H GLY 7 -4.364 -13.115 -10.880 28 HA2 GLY 7 1HA GLY 7 -6.020 -15.080 -10.641 29 HA3 GLY 7 2HA GLY 7 -4.685 -15.823 -9.772 30 H THR 8 H THR 8 -5.952 -15.971 -7.885 31 HA THR 8 HA THR 8 -7.408 -14.014 -6.632 32 HB THR 8 HB THR 8 -7.198 -16.369 -5.841 33 HG1 THR 8 1HG THR 8 -6.587 -14.591 -3.718 34 HG21 THR 8 1HG2 THR 8 -4.450 -15.538 -5.466 35 HG22 THR 8 2HG2 THR 8 -5.145 -17.159 -5.452 36 HG23 THR 8 3HG2 THR 8 -5.136 -16.190 -3.978 37 H GLN 9 H GLN 9 -6.889 -12.691 -4.728 38 HA GLN 9 HA GLN 9 -4.447 -11.195 -5.190 39 HB2 GLN 9 1HB GLN 9 -5.390 -9.572 -3.616 40 HB3 GLN 9 2HB GLN 9 -6.546 -9.978 -4.877 41 HG2 GLN 9 1HG GLN 9 -7.448 -11.694 -3.171 42 HG3 GLN 9 2HG GLN 9 -6.564 -10.732 -1.987 43 HE21 GLN 9 1HE2 GLN 9 -9.476 -11.147 -3.455 44 HE22 GLN 9 2HE2 GLN 9 -10.163 -9.586 -3.180 45 H GLU 10 H GLU 10 -4.506 -13.928 -3.920 46 HA GLU 10 HA GLU 10 -3.859 -13.664 -1.179 47 HB2 GLU 10 1HB GLU 10 -4.552 -15.802 -2.049 48 HB3 GLU 10 2HB GLU 10 -3.209 -15.827 -3.183 49 HG2 GLU 10 1HG GLU 10 -1.742 -15.706 -1.044 50 HG3 GLU 10 2HG GLU 10 -3.201 -16.273 -0.234 51 H GLU 11 H GLU 11 -1.798 -14.087 -4.054 52 HA GLU 11 HA GLU 11 0.665 -13.955 -2.746 53 HB2 GLU 11 1HB GLU 11 0.178 -14.614 -5.166 54 HB3 GLU 11 2HB GLU 11 0.177 -12.892 -5.523 55 HG2 GLU 11 1HG GLU 11 2.331 -13.515 -6.041 56 HG3 GLU 11 2HG GLU 11 2.499 -12.891 -4.402 57 H LEU 12 H LEU 12 -1.287 -11.376 -4.204 58 HA LEU 12 HA LEU 12 0.502 -9.266 -3.761 59 HB2 LEU 12 1HB LEU 12 -1.332 -8.955 -5.242 60 HB3 LEU 12 2HB LEU 12 -2.498 -9.341 -3.977 61 HG LEU 12 HG LEU 12 -1.887 -7.242 -2.824 62 HD11 LEU 12 1HD1 LEU 12 -0.480 -6.301 -5.269 63 HD12 LEU 12 2HD1 LEU 12 0.416 -7.259 -4.091 64 HD13 LEU 12 3HD1 LEU 12 -0.345 -5.746 -3.600 65 HD21 LEU 12 1HD2 LEU 12 -3.264 -7.515 -5.345 66 HD22 LEU 12 2HD2 LEU 12 -2.597 -5.893 -5.154 67 HD23 LEU 12 3HD2 LEU 12 -3.686 -6.549 -3.931 68 H LEU 13 H LEU 13 -2.209 -10.427 -1.773 69 HA LEU 13 HA LEU 13 -2.044 -8.574 0.284 70 HB2 LEU 13 1HB LEU 13 -3.911 -9.978 0.281 71 HB3 LEU 13 2HB LEU 13 -2.926 -11.436 0.186 72 HG LEU 13 HG LEU 13 -2.186 -10.997 2.533 73 HD11 LEU 13 1HD1 LEU 13 -4.383 -8.933 2.476 74 HD12 LEU 13 2HD1 LEU 13 -2.657 -8.588 2.563 75 HD13 LEU 13 3HD1 LEU 13 -3.453 -9.436 3.888 76 HD21 LEU 13 1HD2 LEU 13 -4.617 -12.053 1.562 77 HD22 LEU 13 2HD2 LEU 13 -4.988 -11.178 3.048 78 HD23 LEU 13 3HD2 LEU 13 -3.772 -12.455 3.058 79 H ARG 14 H ARG 14 -0.411 -11.721 0.000 80 HA ARG 14 HA ARG 14 0.966 -11.600 2.444 81 HB2 ARG 14 1HB ARG 14 1.640 -13.036 -0.127 82 HB3 ARG 14 2HB ARG 14 2.504 -13.276 1.384 83 HG2 ARG 14 1HG ARG 14 0.151 -13.813 2.342 84 HG3 ARG 14 2HG ARG 14 -0.275 -14.070 0.649 85 HD2 ARG 14 1HD ARG 14 0.369 -16.186 1.333 86 HD3 ARG 14 2HD ARG 14 1.841 -15.557 0.593 87 HE ARG 14 HE ARG 14 1.622 -15.138 3.445 88 HH11 ARG 14 2HH1 ARG 14 2.763 -17.203 0.886 89 HH12 ARG 14 1HH1 ARG 14 3.958 -17.982 1.870 90 HH21 ARG 14 2HH2 ARG 14 3.191 -16.156 4.752 91 HH22 ARG 14 1HH2 ARG 14 4.199 -17.386 4.069 92 H TRP 15 H TRP 15 2.073 -10.794 -0.846 93 HA TRP 15 HA TRP 15 4.643 -9.982 -0.255 94 HB2 TRP 15 1HB TRP 15 3.870 -10.197 -2.545 95 HB3 TRP 15 2HB TRP 15 2.739 -8.865 -2.322 96 HD1 TRP 15 HD TRP 15 6.526 -9.533 -2.591 97 HE1 TRP 15 1HE TRP 15 7.675 -7.359 -3.351 98 HE3 TRP 15 3HE TRP 15 2.496 -6.390 -2.442 99 HZ2 TRP 15 2HZ TRP 15 6.967 -4.667 -3.825 100 HZ3 TRP 15 3HZ TRP 15 2.816 -4.031 -3.063 101 HH2 TRP 15 HH TRP 15 5.007 -3.189 -3.740 102 H CYS 16 H CYS 16 1.632 -8.166 0.019 103 HA CYS 16 HA CYS 16 2.912 -5.701 0.711 104 HB2 CYS 16 1HB CYS 16 0.044 -6.612 1.013 105 HB3 CYS 16 2HB CYS 16 0.605 -4.973 1.319 106 HG CYS 16 HG CYS 16 -0.061 -6.495 -1.583 107 H GLN 17 H GLN 17 1.528 -8.400 2.485 108 HA GLN 17 HA GLN 17 1.417 -7.267 5.032 109 HB2 GLN 17 1HB GLN 17 1.713 -10.064 4.009 110 HB3 GLN 17 2HB GLN 17 1.885 -9.756 5.733 111 HG2 GLN 17 1HG GLN 17 -0.343 -8.767 5.785 112 HG3 GLN 17 2HG GLN 17 -0.517 -9.064 4.056 113 HE21 GLN 17 1HE2 GLN 17 -2.411 -10.065 5.618 114 HE22 GLN 17 2HE2 GLN 17 -2.258 -11.777 5.783 115 H GLU 18 H GLU 18 4.095 -8.797 3.316 116 HA GLU 18 HA GLU 18 5.905 -8.823 5.489 117 HB2 GLU 18 1HB GLU 18 6.372 -8.831 2.505 118 HB3 GLU 18 2HB GLU 18 7.651 -9.039 3.693 119 HG2 GLU 18 1HG GLU 18 5.254 -10.836 3.411 120 HG3 GLU 18 2HG GLU 18 6.853 -11.163 2.744 121 H GLN 19 H GLN 19 5.276 -6.480 2.916 122 HA GLN 19 HA GLN 19 7.387 -4.717 3.598 123 HB2 GLN 19 1HB GLN 19 4.805 -4.145 2.133 124 HB3 GLN 19 2HB GLN 19 6.211 -3.089 2.175 125 HG2 GLN 19 1HG GLN 19 5.931 -5.765 0.852 126 HG3 GLN 19 2HG GLN 19 6.303 -4.207 0.115 127 HE21 GLN 19 1HE2 GLN 19 7.694 -6.888 0.245 128 HE22 GLN 19 2HE2 GLN 19 9.309 -6.502 0.725 129 H THR 20 H THR 20 3.892 -4.605 4.268 130 HA THR 20 HA THR 20 4.015 -2.278 5.877 131 HB THR 20 HB THR 20 1.747 -2.819 6.577 132 HG1 THR 20 1HG THR 20 2.300 -5.338 5.367 133 HG21 THR 20 1HG2 THR 20 2.021 -3.594 3.677 134 HG22 THR 20 2HG2 THR 20 2.230 -1.940 4.255 135 HG23 THR 20 3HG2 THR 20 0.679 -2.754 4.456 136 H ALA 21 H ALA 21 4.948 -5.480 6.465 137 HA ALA 21 HA ALA 21 4.356 -5.784 9.190 138 HB1 ALA 21 1HB ALA 21 5.566 -7.322 7.272 139 HB2 ALA 21 2HB ALA 21 6.896 -6.964 8.373 140 HB3 ALA 21 3HB ALA 21 5.431 -7.733 8.981 141 H GLY 22 H GLY 22 6.411 -3.589 7.669 142 HA2 GLY 22 1HA GLY 22 8.093 -3.293 10.069 143 HA3 GLY 22 2HA GLY 22 8.476 -2.655 8.476 144 H TYR 23 H TYR 23 5.636 -2.419 10.619 145 HA TYR 23 HA TYR 23 6.052 0.380 11.073 146 HB2 TYR 23 1HB TYR 23 5.040 0.146 8.704 147 HB3 TYR 23 2HB TYR 23 3.551 -0.280 9.540 148 HD1 TYR 23 2HD TYR 23 3.244 1.473 11.707 149 HD2 TYR 23 1HD TYR 23 5.015 2.311 7.930 150 HE1 TYR 23 2HE TYR 23 2.720 3.859 11.997 151 HE2 TYR 23 1HE TYR 23 4.497 4.700 8.211 152 HH TYR 23 HH TYR 23 3.894 6.284 9.756 153 HA PRO 24 HA PRO 24 3.786 -0.975 14.635 154 HB2 PRO 24 1HB PRO 24 3.674 1.437 15.876 155 HB3 PRO 24 2HB PRO 24 5.138 0.446 15.831 156 HG2 PRO 24 1HG PRO 24 4.389 2.797 14.136 157 HG3 PRO 24 2HG PRO 24 5.949 2.410 14.887 158 HD2 PRO 24 1HD PRO 24 5.435 1.939 12.270 159 HD3 PRO 24 2HD PRO 24 6.516 0.909 13.232 160 H GLY 25 H GLY 25 1.662 -1.301 14.824 161 HA2 GLY 25 1HA GLY 25 -0.579 -0.615 15.100 162 HA3 GLY 25 2HA GLY 25 -0.193 0.895 14.288 163 H VAL 26 H VAL 26 1.189 -0.594 12.102 164 HA VAL 26 HA VAL 26 -1.139 -0.967 10.448 165 HB VAL 26 HB VAL 26 1.755 -1.430 9.720 166 HG11 VAL 26 1HG1 VAL 26 1.030 -1.167 7.442 167 HG12 VAL 26 2HG1 VAL 26 0.048 -2.416 8.210 168 HG13 VAL 26 3HG1 VAL 26 -0.614 -0.800 7.965 169 HG21 VAL 26 1HG2 VAL 26 1.488 0.891 8.680 170 HG22 VAL 26 2HG2 VAL 26 0.089 1.070 9.739 171 HG23 VAL 26 3HG2 VAL 26 1.691 0.805 10.430 172 H HIS 27 H HIS 27 -2.242 -2.809 10.531 173 HA HIS 27 HA HIS 27 -0.730 -5.336 10.532 174 HB2 HIS 27 1HB HIS 27 -2.854 -6.233 11.760 175 HB3 HIS 27 2HB HIS 27 -1.611 -5.390 12.679 176 HD1 HIS 27 1HD HIS 27 -2.205 -3.063 13.622 177 HD2 HIS 27 2HD HIS 27 -5.299 -4.881 11.529 178 HE1 HIS 27 1HE HIS 27 -4.260 -1.717 14.157 179 HE2 HIS 27 2HE HIS 27 -6.135 -2.886 12.948 180 H VAL 28 H VAL 28 -1.014 -4.983 8.169 181 HA VAL 28 HA VAL 28 -3.566 -5.053 6.955 182 HB VAL 28 HB VAL 28 -0.858 -5.835 5.875 183 HG11 VAL 28 1HG1 VAL 28 -1.897 -5.684 3.647 184 HG12 VAL 28 2HG1 VAL 28 -2.572 -6.995 4.616 185 HG13 VAL 28 3HG1 VAL 28 -3.474 -5.492 4.413 186 HG21 VAL 28 1HG2 VAL 28 -1.329 -3.634 4.580 187 HG22 VAL 28 2HG2 VAL 28 -2.480 -3.321 5.878 188 HG23 VAL 28 3HG2 VAL 28 -0.772 -3.551 6.252 189 H SER 29 H SER 29 -4.915 -6.668 7.534 190 HA SER 29 HA SER 29 -3.918 -9.432 7.355 191 HB2 SER 29 1HB SER 29 -5.639 -10.086 8.862 192 HB3 SER 29 2HB SER 29 -4.958 -8.601 9.528 193 HG SER 29 HG SER 29 -6.843 -7.713 9.328 194 H ASP 30 H ASP 30 -5.604 -7.176 5.621 195 HA ASP 30 HA ASP 30 -6.476 -9.061 3.684 196 HB2 ASP 30 1HB ASP 30 -8.951 -8.195 3.895 197 HB3 ASP 30 2HB ASP 30 -8.395 -9.550 4.874 198 H LEU 31 H LEU 31 -8.173 -7.748 2.150 199 HA LEU 31 HA LEU 31 -6.912 -5.122 1.711 200 HB2 LEU 31 1HB LEU 31 -7.865 -7.204 -0.230 201 HB3 LEU 31 2HB LEU 31 -7.608 -5.529 -0.713 202 HG LEU 31 HG LEU 31 -5.217 -5.840 0.156 203 HD11 LEU 31 1HD1 LEU 31 -6.156 -8.211 1.085 204 HD12 LEU 31 2HD1 LEU 31 -4.457 -7.854 0.781 205 HD13 LEU 31 3HD1 LEU 31 -5.409 -8.704 -0.434 206 HD21 LEU 31 1HD2 LEU 31 -6.458 -6.830 -2.327 207 HD22 LEU 31 2HD2 LEU 31 -4.812 -7.382 -2.015 208 HD23 LEU 31 3HD2 LEU 31 -5.165 -5.654 -2.091 209 H SER 32 H SER 32 -9.316 -5.775 3.291 210 HA SER 32 HA SER 32 -11.430 -4.530 1.685 211 HB2 SER 32 1HB SER 32 -11.899 -6.659 2.946 212 HB3 SER 32 2HB SER 32 -11.673 -5.752 4.441 213 HG SER 32 HG SER 32 -13.440 -4.701 2.563 214 H SER 33 H SER 33 -10.549 -4.347 5.132 215 HA SER 33 HA SER 33 -10.843 -1.420 4.948 216 HB2 SER 33 1HB SER 33 -12.527 -2.831 6.355 217 HB3 SER 33 2HB SER 33 -11.204 -2.935 7.518 218 HG SER 33 HG SER 33 -12.042 -1.095 8.148 219 H SER 34 H SER 34 -8.901 -4.083 6.031 220 HA SER 34 HA SER 34 -7.206 -3.085 7.884 221 HB2 SER 34 1HB SER 34 -6.802 -4.918 5.570 222 HB3 SER 34 2HB SER 34 -5.365 -4.340 6.413 223 HG SER 34 HG SER 34 -7.496 -5.899 7.393 224 H TRP 35 H TRP 35 -7.519 -2.005 4.615 225 HA TRP 35 HA TRP 35 -5.110 -0.346 4.854 226 HB2 TRP 35 1HB TRP 35 -6.856 -0.908 2.446 227 HB3 TRP 35 2HB TRP 35 -5.388 0.064 2.438 228 HD1 TRP 35 HD TRP 35 -6.485 -3.593 3.073 229 HE1 TRP 35 1HE TRP 35 -4.514 -5.132 2.462 230 HE3 TRP 35 3HE TRP 35 -2.971 -0.033 2.017 231 HZ2 TRP 35 2HZ TRP 35 -1.826 -4.871 1.640 232 HZ3 TRP 35 3HZ TRP 35 -0.724 -0.761 1.326 233 HH2 TRP 35 HH TRP 35 -0.166 -3.130 1.143 234 H ALA 36 H ALA 36 -8.576 -0.205 4.735 235 HA ALA 36 HA ALA 36 -9.240 2.277 3.933 236 HB1 ALA 36 1HB ALA 36 -11.072 2.256 5.479 237 HB2 ALA 36 2HB ALA 36 -10.790 0.604 4.928 238 HB3 ALA 36 3HB ALA 36 -10.236 1.107 6.525 239 H ASP 37 H ASP 37 -8.110 1.558 7.239 240 HA ASP 37 HA ASP 37 -8.097 3.944 8.446 241 HB2 ASP 37 1HB ASP 37 -5.634 2.192 8.429 242 HB3 ASP 37 2HB ASP 37 -6.153 3.287 9.707 243 H GLY 38 H GLY 38 -5.683 2.943 6.041 244 HA2 GLY 38 1HA GLY 38 -4.977 4.629 4.413 245 HA3 GLY 38 2HA GLY 38 -4.985 5.796 5.726 246 H LEU 39 H LEU 39 -3.691 4.157 7.665 247 HA LEU 39 HA LEU 39 -1.035 4.791 7.244 248 HB2 LEU 39 1HB LEU 39 -2.481 2.951 9.065 249 HB3 LEU 39 2HB LEU 39 -0.735 2.753 8.934 250 HG LEU 39 HG LEU 39 -2.141 5.298 9.744 251 HD11 LEU 39 1HD1 LEU 39 -1.089 2.986 11.272 252 HD12 LEU 39 2HD1 LEU 39 -2.443 4.060 11.624 253 HD13 LEU 39 3HD1 LEU 39 -0.790 4.600 11.920 254 HD21 LEU 39 1HD2 LEU 39 0.430 4.895 8.717 255 HD22 LEU 39 2HD2 LEU 39 0.636 5.080 10.459 256 HD23 LEU 39 3HD2 LEU 39 -0.188 6.333 9.531 257 H ALA 40 H ALA 40 -2.600 1.622 6.810 258 HA ALA 40 HA ALA 40 -0.635 -0.038 6.115 259 HB1 ALA 40 1HB ALA 40 -2.863 -0.806 5.933 260 HB2 ALA 40 2HB ALA 40 -3.244 0.369 4.672 261 HB3 ALA 40 3HB ALA 40 -2.152 -0.974 4.326 262 H LEU 41 H LEU 41 -2.136 2.041 3.628 263 HA LEU 41 HA LEU 41 -0.304 1.549 1.606 264 HB2 LEU 41 1HB LEU 41 -2.189 3.759 2.228 265 HB3 LEU 41 2HB LEU 41 -0.985 4.032 0.971 266 HG LEU 41 HG LEU 41 -2.749 1.617 0.861 267 HD11 LEU 41 1HD1 LEU 41 -4.261 3.005 -0.602 268 HD12 LEU 41 2HD1 LEU 41 -3.476 4.428 0.080 269 HD13 LEU 41 3HD1 LEU 41 -4.363 3.323 1.129 270 HD21 LEU 41 1HD2 LEU 41 -1.307 3.314 -1.168 271 HD22 LEU 41 2HD2 LEU 41 -2.417 2.007 -1.582 272 HD23 LEU 41 3HD2 LEU 41 -0.933 1.657 -0.693 273 H CYS 42 H CYS 42 -0.178 3.898 4.229 274 HA CYS 42 HA CYS 42 2.009 5.402 3.361 275 HB2 CYS 42 1HB CYS 42 1.380 4.730 6.239 276 HB3 CYS 42 2HB CYS 42 2.225 6.151 5.634 277 HG CYS 42 HG CYS 42 -0.929 5.697 4.524 278 H ALA 43 H ALA 43 1.934 2.545 5.480 279 HA ALA 43 HA ALA 43 4.687 2.344 5.917 280 HB1 ALA 43 1HB ALA 43 3.807 -0.265 5.957 281 HB2 ALA 43 2HB ALA 43 3.786 0.859 7.318 282 HB3 ALA 43 3HB ALA 43 2.349 0.662 6.315 283 H LEU 44 H LEU 44 2.661 0.751 3.461 284 HA LEU 44 HA LEU 44 4.636 -0.739 2.202 285 HB2 LEU 44 1HB LEU 44 2.403 -1.166 1.614 286 HB3 LEU 44 2HB LEU 44 2.104 0.519 1.196 287 HG LEU 44 HG LEU 44 3.735 0.155 -0.733 288 HD11 LEU 44 1HD1 LEU 44 4.574 -2.019 0.288 289 HD12 LEU 44 2HD1 LEU 44 4.225 -2.027 -1.440 290 HD13 LEU 44 3HD1 LEU 44 3.081 -2.744 -0.306 291 HD21 LEU 44 1HD2 LEU 44 1.996 -0.399 -2.144 292 HD22 LEU 44 2HD2 LEU 44 1.131 0.161 -0.713 293 HD23 LEU 44 3HD2 LEU 44 1.310 -1.568 -1.016 294 H VAL 45 H VAL 45 3.648 2.615 1.642 295 HA VAL 45 HA VAL 45 5.415 3.044 -0.551 296 HB VAL 45 HB VAL 45 4.109 5.058 1.284 297 HG11 VAL 45 1HG1 VAL 45 6.192 5.601 -0.302 298 HG12 VAL 45 2HG1 VAL 45 4.890 5.756 -1.482 299 HG13 VAL 45 3HG1 VAL 45 4.878 6.744 -0.021 300 HG21 VAL 45 1HG2 VAL 45 2.942 3.326 -0.553 301 HG22 VAL 45 2HG2 VAL 45 2.215 4.772 0.148 302 HG23 VAL 45 3HG2 VAL 45 3.055 4.870 -1.400 303 H TYR 46 H TYR 46 5.508 4.339 2.776 304 HA TYR 46 HA TYR 46 7.981 5.510 2.731 305 HB2 TYR 46 1HB TYR 46 6.493 4.112 4.939 306 HB3 TYR 46 2HB TYR 46 8.069 4.841 5.227 307 HD1 TYR 46 1HD TYR 46 8.191 7.346 4.120 308 HD2 TYR 46 2HD TYR 46 4.698 5.399 5.573 309 HE1 TYR 46 1HE TYR 46 7.120 9.534 4.462 310 HE2 TYR 46 2HE TYR 46 3.616 7.580 5.915 311 HH TYR 46 HH TYR 46 4.024 10.043 4.733 312 H ARG 47 H ARG 47 7.297 2.147 3.697 313 HA ARG 47 HA ARG 47 9.910 1.334 4.159 314 HB2 ARG 47 1HB ARG 47 7.796 0.046 4.656 315 HB3 ARG 47 2HB ARG 47 7.754 -0.404 2.957 316 HG2 ARG 47 1HG ARG 47 8.830 -2.221 3.756 317 HG3 ARG 47 2HG ARG 47 10.236 -1.182 3.515 318 HD2 ARG 47 1HD ARG 47 8.788 -1.074 6.117 319 HD3 ARG 47 2HD ARG 47 9.850 -2.443 5.791 320 HE ARG 47 HE ARG 47 11.686 -1.015 5.852 321 HH11 ARG 47 2HH1 ARG 47 8.703 0.750 6.175 322 HH12 ARG 47 1HH1 ARG 47 9.471 2.207 6.713 323 HH21 ARG 47 2HH2 ARG 47 12.710 0.895 6.560 324 HH22 ARG 47 1HH2 ARG 47 11.751 2.289 6.931 325 H LEU 48 H LEU 48 8.039 0.620 1.204 326 HA LEU 48 HA LEU 48 9.845 -0.469 -0.423 327 HB2 LEU 48 1HB LEU 48 7.780 1.615 -0.956 328 HB3 LEU 48 2HB LEU 48 8.859 1.126 -2.261 329 HG LEU 48 HG LEU 48 7.156 -0.823 -0.721 330 HD11 LEU 48 1HD1 LEU 48 5.634 0.707 -1.747 331 HD12 LEU 48 2HD1 LEU 48 5.670 -0.763 -2.721 332 HD13 LEU 48 3HD1 LEU 48 6.537 0.673 -3.261 333 HD21 LEU 48 1HD2 LEU 48 8.255 -1.131 -3.492 334 HD22 LEU 48 2HD2 LEU 48 7.716 -2.374 -2.362 335 HD23 LEU 48 3HD2 LEU 48 9.232 -1.519 -2.075 336 H GLN 49 H GLN 49 9.720 2.995 0.314 337 HA GLN 49 HA GLN 49 12.473 3.218 -0.700 338 HB2 GLN 49 1HB GLN 49 10.090 4.890 -1.307 339 HB3 GLN 49 2HB GLN 49 11.630 5.719 -1.113 340 HG2 GLN 49 1HG GLN 49 12.612 4.419 -2.876 341 HG3 GLN 49 2HG GLN 49 11.159 3.430 -3.008 342 HE21 GLN 49 1HE2 GLN 49 11.837 6.913 -2.865 343 HE22 GLN 49 2HE2 GLN 49 10.915 7.322 -4.267 344 HA PRO 50 HA PRO 50 12.719 4.499 3.638 345 HB2 PRO 50 1HB PRO 50 15.396 4.087 3.824 346 HB3 PRO 50 2HB PRO 50 14.212 2.784 3.970 347 HG2 PRO 50 1HG PRO 50 15.862 3.588 1.605 348 HG3 PRO 50 2HG PRO 50 15.504 1.963 2.219 349 HD2 PRO 50 1HD PRO 50 14.199 3.042 0.106 350 HD3 PRO 50 2HD PRO 50 13.421 1.912 1.232 351 H GLY 51 H GLY 51 14.269 5.671 0.777 352 HA2 GLY 51 1HA GLY 51 15.755 7.796 1.933 353 HA3 GLY 51 2HA GLY 51 15.263 7.677 0.250 354 H LEU 52 H LEU 52 12.469 7.599 0.637 355 HA LEU 52 HA LEU 52 11.840 10.310 0.659 356 HB2 LEU 52 1HB LEU 52 10.201 7.825 0.978 357 HB3 LEU 52 2HB LEU 52 9.454 9.417 1.100 358 HG LEU 52 HG LEU 52 11.087 8.818 -1.314 359 HD11 LEU 52 1HD1 LEU 52 8.594 7.420 -0.552 360 HD12 LEU 52 2HD1 LEU 52 9.921 6.896 -1.587 361 HD13 LEU 52 3HD1 LEU 52 8.709 8.015 -2.207 362 HD21 LEU 52 1HD2 LEU 52 8.818 10.037 -2.119 363 HD22 LEU 52 2HD2 LEU 52 10.267 10.896 -1.598 364 HD23 LEU 52 3HD2 LEU 52 8.937 10.642 -0.466 365 H LEU 53 H LEU 53 10.552 11.547 2.157 366 HA LEU 53 HA LEU 53 11.550 11.708 4.709 367 HB2 LEU 53 1HB LEU 53 9.741 13.170 5.231 368 HB3 LEU 53 2HB LEU 53 10.193 13.432 3.548 369 HG LEU 53 HG LEU 53 7.905 13.484 3.410 370 HD11 LEU 53 1HD1 LEU 53 7.122 11.333 2.500 371 HD12 LEU 53 2HD1 LEU 53 8.587 10.563 3.108 372 HD13 LEU 53 3HD1 LEU 53 8.697 11.808 1.863 373 HD21 LEU 53 1HD2 LEU 53 6.375 12.200 4.738 374 HD22 LEU 53 2HD2 LEU 53 7.576 12.919 5.811 375 HD23 LEU 53 3HD2 LEU 53 7.688 11.212 5.380 376 H GLU 54 H GLU 54 9.895 11.633 6.703 377 HA GLU 54 HA GLU 54 8.927 8.853 6.804 378 HB2 GLU 54 1HB GLU 54 10.246 10.612 8.838 379 HB3 GLU 54 2HB GLU 54 9.180 9.320 9.371 380 HG2 GLU 54 1HG GLU 54 11.147 8.201 9.400 381 HG3 GLU 54 2HG GLU 54 10.679 7.893 7.729 382 HA PRO 55 HA PRO 55 4.832 10.152 7.689 383 HB2 PRO 55 1HB PRO 55 4.032 8.310 9.517 384 HB3 PRO 55 2HB PRO 55 4.261 7.930 7.806 385 HG2 PRO 55 1HG PRO 55 6.099 7.443 10.118 386 HG3 PRO 55 2HG PRO 55 5.696 6.371 8.765 387 HD2 PRO 55 1HD PRO 55 7.988 7.809 8.850 388 HD3 PRO 55 2HD PRO 55 7.158 7.426 7.329 389 H SER 56 H SER 56 7.262 10.719 9.770 390 HA SER 56 HA SER 56 6.541 11.067 12.297 391 HB2 SER 56 1HB SER 56 7.846 13.093 12.412 392 HB3 SER 56 2HB SER 56 8.600 12.024 11.230 393 HG SER 56 HG SER 56 8.159 14.398 10.720 394 H GLU 57 H GLU 57 5.170 12.878 9.614 395 HA GLU 57 HA GLU 57 3.525 14.492 11.378 396 HB2 GLU 57 1HB GLU 57 3.535 14.327 8.359 397 HB3 GLU 57 2HB GLU 57 2.703 15.536 9.327 398 HG2 GLU 57 1HG GLU 57 4.680 16.582 9.951 399 HG3 GLU 57 2HG GLU 57 5.664 15.180 9.538 400 H LEU 58 H LEU 58 3.105 11.892 9.012 401 HA LEU 58 HA LEU 58 0.340 11.733 8.974 402 HB2 LEU 58 1HB LEU 58 2.548 9.789 8.547 403 HB3 LEU 58 2HB LEU 58 0.908 9.162 8.699 404 HG LEU 58 HG LEU 58 0.228 10.602 6.799 405 HD11 LEU 58 1HD1 LEU 58 1.578 12.359 6.447 406 HD12 LEU 58 2HD1 LEU 58 2.499 11.225 5.462 407 HD13 LEU 58 3HD1 LEU 58 2.989 11.545 7.125 408 HD21 LEU 58 1HD2 LEU 58 1.564 8.192 6.767 409 HD22 LEU 58 2HD2 LEU 58 2.429 9.152 5.566 410 HD23 LEU 58 3HD2 LEU 58 0.687 8.913 5.416 411 H GLN 59 H GLN 59 2.570 10.810 11.459 412 HA GLN 59 HA GLN 59 1.142 8.929 12.892 413 HB2 GLN 59 1HB GLN 59 2.969 11.140 13.824 414 HB3 GLN 59 2HB GLN 59 2.301 9.939 14.923 415 HG2 GLN 59 1HG GLN 59 3.320 8.201 13.353 416 HG3 GLN 59 2HG GLN 59 4.234 9.544 12.670 417 HE21 GLN 59 1HE2 GLN 59 5.515 7.422 13.823 418 HE22 GLN 59 2HE2 GLN 59 6.264 7.923 15.297 419 H GLY 60 H GLY 60 0.836 12.457 12.947 420 HA2 GLY 60 1HA GLY 60 -1.537 12.156 14.673 421 HA3 GLY 60 2HA GLY 60 -0.566 13.615 14.553 422 H LEU 61 H LEU 61 -1.916 11.538 12.007 423 HA LEU 61 HA LEU 61 -3.448 13.870 11.057 424 HB2 LEU 61 1HB LEU 61 -1.761 11.898 9.587 425 HB3 LEU 61 2HB LEU 61 -3.158 12.602 8.777 426 HG LEU 61 HG LEU 61 -0.830 14.144 9.921 427 HD11 LEU 61 1HD1 LEU 61 0.158 14.095 7.912 428 HD12 LEU 61 2HD1 LEU 61 -1.372 14.225 7.044 429 HD13 LEU 61 3HD1 LEU 61 -0.829 12.658 7.643 430 HD21 LEU 61 1HD2 LEU 61 -3.451 14.974 9.381 431 HD22 LEU 61 2HD2 LEU 61 -2.471 15.555 8.035 432 HD23 LEU 61 3HD2 LEU 61 -2.042 15.989 9.690 433 H GLY 62 H GLY 62 -5.407 13.377 9.866 434 HA2 GLY 62 1HA GLY 62 -6.990 11.421 11.166 435 HA3 GLY 62 2HA GLY 62 -7.468 12.368 9.765 436 H ALA 63 H ALA 63 -8.202 9.693 10.127 437 HA ALA 63 HA ALA 63 -6.644 7.730 9.012 438 HB1 ALA 63 1HB ALA 63 -9.268 7.932 9.788 439 HB2 ALA 63 2HB ALA 63 -9.395 7.600 8.060 440 HB3 ALA 63 3HB ALA 63 -8.503 6.497 9.107 441 H LEU 64 H LEU 64 -8.299 10.354 7.401 442 HA LEU 64 HA LEU 64 -7.808 9.274 4.760 443 HB2 LEU 64 1HB LEU 64 -9.757 10.829 5.649 444 HB3 LEU 64 2HB LEU 64 -8.625 12.100 5.191 445 HG LEU 64 HG LEU 64 -8.633 11.317 2.894 446 HD11 LEU 64 1HD1 LEU 64 -10.816 9.528 2.866 447 HD12 LEU 64 2HD1 LEU 64 -9.667 8.936 4.067 448 HD13 LEU 64 3HD1 LEU 64 -9.141 9.218 2.408 449 HD21 LEU 64 1HD2 LEU 64 -10.553 12.371 2.367 450 HD22 LEU 64 2HD2 LEU 64 -10.606 12.698 4.099 451 HD23 LEU 64 3HD2 LEU 64 -11.530 11.355 3.426 452 H GLU 65 H GLU 65 -6.774 12.162 6.578 453 HA GLU 65 HA GLU 65 -5.058 13.358 4.883 454 HB2 GLU 65 1HB GLU 65 -4.896 12.882 7.832 455 HB3 GLU 65 2HB GLU 65 -3.547 13.660 7.016 456 HG2 GLU 65 1HG GLU 65 -6.389 14.634 6.885 457 HG3 GLU 65 2HG GLU 65 -5.181 15.233 8.021 458 H ALA 66 H ALA 66 -4.555 10.284 6.466 459 HA ALA 66 HA ALA 66 -1.788 10.030 5.873 460 HB1 ALA 66 1HB ALA 66 -1.914 7.960 6.831 461 HB2 ALA 66 2HB ALA 66 -3.351 8.705 7.531 462 HB3 ALA 66 3HB ALA 66 -3.505 7.619 6.151 463 H THR 67 H THR 67 -4.440 8.064 4.531 464 HA THR 67 HA THR 67 -3.205 6.935 2.412 465 HB THR 67 HB THR 67 -5.972 8.121 2.161 466 HG1 THR 67 1HG THR 67 -6.286 6.936 3.915 467 HG21 THR 67 1HG2 THR 67 -4.451 6.651 0.373 468 HG22 THR 67 2HG2 THR 67 -6.201 6.860 0.329 469 HG23 THR 67 3HG2 THR 67 -5.501 5.449 1.121 470 H ALA 68 H ALA 68 -4.322 10.263 2.614 471 HA ALA 68 HA ALA 68 -4.161 11.051 -0.029 472 HB1 ALA 68 1HB ALA 68 -5.025 12.512 1.691 473 HB2 ALA 68 2HB ALA 68 -3.428 12.631 2.433 474 HB3 ALA 68 3HB ALA 68 -3.711 13.318 0.832 475 H TRP 69 H TRP 69 -1.555 11.156 2.403 476 HA TRP 69 HA TRP 69 0.456 12.095 0.705 477 HB2 TRP 69 1HB TRP 69 0.786 12.128 3.087 478 HB3 TRP 69 2HB TRP 69 0.615 10.378 3.187 479 HD1 TRP 69 HD TRP 69 3.106 13.078 2.080 480 HE1 TRP 69 1HE TRP 69 5.447 12.017 1.934 481 HE3 TRP 69 3HE TRP 69 1.831 8.188 2.856 482 HZ2 TRP 69 2HZ TRP 69 6.600 9.448 2.123 483 HZ3 TRP 69 3HZ TRP 69 3.612 6.492 2.858 484 HH2 TRP 69 HH TRP 69 5.946 7.109 2.499 485 H ALA 70 H ALA 70 -0.199 8.738 1.722 486 HA ALA 70 HA ALA 70 1.697 7.380 0.324 487 HB1 ALA 70 1HB ALA 70 0.367 5.470 0.488 488 HB2 ALA 70 2HB ALA 70 -0.183 6.485 1.822 489 HB3 ALA 70 3HB ALA 70 -1.132 6.387 0.339 490 H LEU 71 H LEU 71 -1.546 8.133 -0.971 491 HA LEU 71 HA LEU 71 -1.153 7.204 -3.550 492 HB2 LEU 71 1HB LEU 71 -2.852 9.445 -2.488 493 HB3 LEU 71 2HB LEU 71 -2.892 8.947 -4.178 494 HG LEU 71 HG LEU 71 -3.467 7.031 -1.934 495 HD11 LEU 71 1HD1 LEU 71 -4.976 9.275 -2.415 496 HD12 LEU 71 2HD1 LEU 71 -5.548 7.786 -1.663 497 HD13 LEU 71 3HD1 LEU 71 -5.775 8.044 -3.393 498 HD21 LEU 71 1HD2 LEU 71 -3.975 7.065 -4.900 499 HD22 LEU 71 2HD2 LEU 71 -4.764 5.933 -3.801 500 HD23 LEU 71 3HD2 LEU 71 -3.008 5.918 -3.971 501 H LYS 72 H LYS 72 0.021 10.094 -2.041 502 HA LYS 72 HA LYS 72 0.702 11.413 -4.514 503 HB2 LYS 72 1HB LYS 72 0.144 12.523 -2.256 504 HB3 LYS 72 2HB LYS 72 1.792 12.118 -1.799 505 HG2 LYS 72 1HG LYS 72 2.487 13.347 -3.934 506 HG3 LYS 72 2HG LYS 72 0.847 13.998 -3.931 507 HD2 LYS 72 1HD LYS 72 1.346 14.662 -1.492 508 HD3 LYS 72 2HD LYS 72 3.038 14.395 -1.919 509 HE2 LYS 72 1HE LYS 72 1.341 16.107 -3.677 510 HE3 LYS 72 2HE LYS 72 1.947 16.769 -2.159 511 HZ1 LYS 72 1HZ LYS 72 3.469 17.273 -3.928 512 HZ2 LYS 72 2HZ LYS 72 3.582 15.644 -4.367 513 HZ3 LYS 72 3HZ LYS 72 4.201 16.165 -2.881 514 H VAL 73 H VAL 73 2.761 10.434 -1.770 515 HA VAL 73 HA VAL 73 5.181 10.499 -3.113 516 HB VAL 73 HB VAL 73 4.311 8.789 -0.786 517 HG11 VAL 73 1HG1 VAL 73 7.028 9.081 -2.044 518 HG12 VAL 73 2HG1 VAL 73 6.788 8.515 -0.390 519 HG13 VAL 73 3HG1 VAL 73 6.122 7.599 -1.742 520 HG21 VAL 73 1HG2 VAL 73 5.672 11.434 -1.099 521 HG22 VAL 73 2HG2 VAL 73 4.315 10.990 -0.063 522 HG23 VAL 73 3HG2 VAL 73 5.947 10.458 0.344 523 H ALA 74 H ALA 74 2.618 8.269 -3.443 524 HA ALA 74 HA ALA 74 4.277 6.131 -4.497 525 HB1 ALA 74 1HB ALA 74 2.423 5.374 -3.253 526 HB2 ALA 74 2HB ALA 74 1.310 6.438 -4.116 527 HB3 ALA 74 3HB ALA 74 2.027 5.055 -4.943 528 H GLU 75 H GLU 75 2.094 8.629 -5.675 529 HA GLU 75 HA GLU 75 2.242 7.695 -8.407 530 HB2 GLU 75 1HB GLU 75 0.182 8.725 -7.629 531 HB3 GLU 75 2HB GLU 75 1.045 10.198 -7.209 532 HG2 GLU 75 1HG GLU 75 1.139 9.214 -10.017 533 HG3 GLU 75 2HG GLU 75 -0.311 10.027 -9.433 534 H ASN 76 H ASN 76 4.070 9.712 -6.362 535 HA ASN 76 HA ASN 76 5.248 11.213 -8.573 536 HB2 ASN 76 1HB ASN 76 5.448 11.402 -5.577 537 HB3 ASN 76 2HB ASN 76 6.611 12.222 -6.614 538 HD21 ASN 76 1HD2 ASN 76 4.449 13.168 -4.766 539 HD22 ASN 76 2HD2 ASN 76 3.522 14.274 -5.715 540 H GLU 77 H GLU 77 6.588 9.463 -5.764 541 HA GLU 77 HA GLU 77 9.096 9.031 -7.035 542 HB2 GLU 77 1HB GLU 77 7.817 8.204 -4.482 543 HB3 GLU 77 2HB GLU 77 9.179 7.247 -5.045 544 HG2 GLU 77 1HG GLU 77 9.194 10.217 -4.556 545 HG3 GLU 77 2HG GLU 77 9.889 8.985 -3.502 546 H LEU 78 H LEU 78 6.725 6.611 -5.915 547 HA LEU 78 HA LEU 78 7.804 4.531 -7.496 548 HB2 LEU 78 1HB LEU 78 4.965 4.564 -6.547 549 HB3 LEU 78 2HB LEU 78 6.068 3.198 -6.700 550 HG LEU 78 HG LEU 78 6.192 5.358 -4.595 551 HD11 LEU 78 1HD1 LEU 78 5.114 3.976 -3.179 552 HD12 LEU 78 2HD1 LEU 78 5.809 2.521 -3.894 553 HD13 LEU 78 3HD1 LEU 78 4.441 3.318 -4.670 554 HD21 LEU 78 1HD2 LEU 78 8.286 3.875 -5.592 555 HD22 LEU 78 2HD2 LEU 78 7.762 2.940 -4.191 556 HD23 LEU 78 3HD2 LEU 78 8.217 4.634 -4.001 557 H GLY 79 H GLY 79 5.597 7.082 -8.182 558 HA2 GLY 79 1HA GLY 79 4.615 7.726 -10.159 559 HA3 GLY 79 2HA GLY 79 5.568 6.483 -10.958 560 H ILE 80 H ILE 80 3.716 5.268 -8.401 561 HA ILE 80 HA ILE 80 2.089 3.730 -10.178 562 HB ILE 80 HB ILE 80 1.949 4.007 -7.173 563 HG12 ILE 80 1HG1 ILE 80 4.084 3.089 -8.112 564 HG13 ILE 80 2HG1 ILE 80 3.210 1.959 -7.084 565 HG21 ILE 80 1HG2 ILE 80 0.554 2.077 -7.152 566 HG22 ILE 80 2HG2 ILE 80 -0.154 3.224 -8.288 567 HG23 ILE 80 3HG2 ILE 80 0.756 1.838 -8.887 568 HD11 ILE 80 1HD1 ILE 80 2.985 1.939 -10.076 569 HD12 ILE 80 2HD1 ILE 80 4.200 1.014 -9.193 570 HD13 ILE 80 3HD1 ILE 80 2.486 0.692 -8.933 571 H THR 81 H THR 81 0.803 5.162 -11.337 572 HA THR 81 HA THR 81 -0.648 7.309 -10.534 573 HB THR 81 HB THR 81 -1.336 5.157 -12.515 574 HG1 THR 81 1HG THR 81 0.228 6.565 -13.222 575 HG21 THR 81 1HG2 THR 81 -3.461 6.012 -11.614 576 HG22 THR 81 2HG2 THR 81 -3.214 6.500 -13.291 577 HG23 THR 81 3HG2 THR 81 -2.946 7.656 -11.986 578 HA PRO 82 HA PRO 82 -3.437 5.835 -7.432 579 HB2 PRO 82 1HB PRO 82 -5.043 8.022 -7.339 580 HB3 PRO 82 2HB PRO 82 -3.425 7.987 -6.628 581 HG2 PRO 82 1HG PRO 82 -4.318 9.112 -9.255 582 HG3 PRO 82 2HG PRO 82 -3.199 9.802 -8.066 583 HD2 PRO 82 1HD PRO 82 -2.347 8.545 -10.306 584 HD3 PRO 82 2HD PRO 82 -1.434 8.505 -8.784 585 H VAL 83 H VAL 83 -4.607 4.168 -8.303 586 HA VAL 83 HA VAL 83 -6.546 4.584 -10.386 587 HB VAL 83 HB VAL 83 -5.182 2.431 -9.861 588 HG11 VAL 83 1HG1 VAL 83 -6.250 2.462 -7.480 589 HG12 VAL 83 2HG1 VAL 83 -7.601 1.663 -8.288 590 HG13 VAL 83 3HG1 VAL 83 -5.998 0.929 -8.315 591 HG21 VAL 83 1HG2 VAL 83 -6.764 1.120 -11.044 592 HG22 VAL 83 2HG2 VAL 83 -8.114 2.092 -10.457 593 HG23 VAL 83 3HG2 VAL 83 -6.969 2.778 -11.610 594 H VAL 84 H VAL 84 -6.567 4.370 -6.900 595 HA VAL 84 HA VAL 84 -9.500 4.674 -6.925 596 HB VAL 84 HB VAL 84 -7.708 3.498 -4.798 597 HG11 VAL 84 1HG1 VAL 84 -10.689 3.936 -4.668 598 HG12 VAL 84 2HG1 VAL 84 -9.668 3.211 -3.424 599 HG13 VAL 84 3HG1 VAL 84 -9.490 4.919 -3.827 600 HG21 VAL 84 1HG2 VAL 84 -9.696 2.393 -6.735 601 HG22 VAL 84 2HG2 VAL 84 -8.091 1.797 -6.312 602 HG23 VAL 84 3HG2 VAL 84 -9.435 1.584 -5.190 603 H SER 85 H SER 85 -10.447 6.203 -5.545 604 HA SER 85 HA SER 85 -8.809 8.531 -5.075 605 HB2 SER 85 1HB SER 85 -11.748 7.940 -4.872 606 HB3 SER 85 2HB SER 85 -11.086 9.422 -4.183 607 HG SER 85 HG SER 85 -10.617 10.152 -6.148 608 H ALA 86 H ALA 86 -7.887 9.094 -3.218 609 HA ALA 86 HA ALA 86 -7.442 7.614 -1.049 610 HB1 ALA 86 1HB ALA 86 -6.397 9.460 -0.408 611 HB2 ALA 86 2HB ALA 86 -7.275 10.381 -1.629 612 HB3 ALA 86 3HB ALA 86 -7.942 10.210 -0.005 613 H GLN 87 H GLN 87 -10.428 9.340 -1.684 614 HA GLN 87 HA GLN 87 -11.582 9.008 0.879 615 HB2 GLN 87 1HB GLN 87 -12.495 10.677 -0.562 616 HB3 GLN 87 2HB GLN 87 -12.784 9.506 -1.841 617 HG2 GLN 87 1HG GLN 87 -14.135 9.093 0.770 618 HG3 GLN 87 2HG GLN 87 -14.722 10.377 -0.287 619 HE21 GLN 87 1HE2 GLN 87 -15.471 9.813 -2.384 620 HE22 GLN 87 2HE2 GLN 87 -16.062 8.222 -2.709 621 H ALA 88 H ALA 88 -12.089 7.233 -2.169 622 HA ALA 88 HA ALA 88 -13.854 5.312 -1.214 623 HB1 ALA 88 1HB ALA 88 -11.768 5.027 -3.374 624 HB2 ALA 88 2HB ALA 88 -13.128 3.933 -3.116 625 HB3 ALA 88 3HB ALA 88 -13.421 5.609 -3.581 626 H VAL 89 H VAL 89 -10.307 5.262 -1.285 627 HA VAL 89 HA VAL 89 -9.791 2.703 -0.445 628 HB VAL 89 HB VAL 89 -8.346 5.214 0.415 629 HG11 VAL 89 1HG1 VAL 89 -6.820 2.732 0.226 630 HG12 VAL 89 2HG1 VAL 89 -6.811 3.978 1.475 631 HG13 VAL 89 3HG1 VAL 89 -8.043 2.716 1.496 632 HG21 VAL 89 1HG2 VAL 89 -6.773 4.549 -1.411 633 HG22 VAL 89 2HG2 VAL 89 -7.952 3.336 -1.909 634 HG23 VAL 89 3HG2 VAL 89 -8.370 5.047 -1.970 635 H VAL 90 H VAL 90 -10.306 5.529 1.669 636 HA VAL 90 HA VAL 90 -10.291 3.976 4.064 637 HB VAL 90 HB VAL 90 -11.340 6.775 3.619 638 HG11 VAL 90 1HG1 VAL 90 -11.212 5.031 5.958 639 HG12 VAL 90 2HG1 VAL 90 -10.468 6.612 6.209 640 HG13 VAL 90 3HG1 VAL 90 -12.149 6.500 5.688 641 HG21 VAL 90 1HG2 VAL 90 -8.632 5.666 3.939 642 HG22 VAL 90 2HG2 VAL 90 -9.163 7.164 3.174 643 HG23 VAL 90 3HG2 VAL 90 -8.999 7.080 4.928 644 H ALA 91 H ALA 91 -12.890 5.667 2.300 645 HA ALA 91 HA ALA 91 -15.045 4.951 3.847 646 HB1 ALA 91 1HB ALA 91 -16.161 6.020 2.255 647 HB2 ALA 91 2HB ALA 91 -14.663 6.110 1.327 648 HB3 ALA 91 3HB ALA 91 -15.776 4.766 1.075 649 H GLY 92 H GLY 92 -13.048 2.903 1.976 650 HA2 GLY 92 1HA GLY 92 -13.121 0.657 1.503 651 HA3 GLY 92 2HA GLY 92 -14.132 0.530 2.935 652 H SER 93 H SER 93 -15.343 2.566 0.475 653 HA SER 93 HA SER 93 -17.547 0.760 0.015 654 HB2 SER 93 1HB SER 93 -16.947 3.609 -0.599 655 HB3 SER 93 2HB SER 93 -18.106 2.786 -1.642 656 HG SER 93 HG SER 93 -18.988 2.096 0.578 657 H ASP 94 H ASP 94 -14.536 1.213 -1.360 658 HA ASP 94 HA ASP 94 -15.386 -0.197 -3.793 659 HB2 ASP 94 1HB ASP 94 -13.238 1.919 -3.839 660 HB3 ASP 94 2HB ASP 94 -14.030 1.143 -5.207 661 HA PRO 95 HA PRO 95 -12.050 -2.567 -1.716 662 HB2 PRO 95 1HB PRO 95 -13.034 -4.989 -2.450 663 HB3 PRO 95 2HB PRO 95 -13.601 -4.113 -1.022 664 HG2 PRO 95 1HG PRO 95 -14.831 -4.297 -3.745 665 HG3 PRO 95 2HG PRO 95 -15.613 -4.387 -2.155 666 HD2 PRO 95 1HD PRO 95 -15.633 -2.138 -3.662 667 HD3 PRO 95 2HD PRO 95 -15.618 -2.099 -1.887 668 H LEU 96 H LEU 96 -13.517 -3.475 -4.844 669 HA LEU 96 HA LEU 96 -11.399 -4.777 -5.996 670 HB2 LEU 96 1HB LEU 96 -13.482 -2.982 -7.205 671 HB3 LEU 96 2HB LEU 96 -12.299 -3.840 -8.190 672 HG LEU 96 HG LEU 96 -13.254 -5.930 -6.874 673 HD11 LEU 96 1HD1 LEU 96 -15.897 -4.892 -7.099 674 HD12 LEU 96 2HD1 LEU 96 -14.968 -3.858 -6.013 675 HD13 LEU 96 3HD1 LEU 96 -15.093 -5.587 -5.691 676 HD21 LEU 96 1HD2 LEU 96 -14.660 -6.384 -8.751 677 HD22 LEU 96 2HD2 LEU 96 -13.254 -5.492 -9.333 678 HD23 LEU 96 3HD2 LEU 96 -14.800 -4.666 -9.130 679 H GLY 97 H GLY 97 -12.066 -1.278 -6.186 680 HA2 GLY 97 1HA GLY 97 -9.932 -0.468 -7.721 681 HA3 GLY 97 2HA GLY 97 -10.628 0.501 -6.430 682 H LEU 98 H LEU 98 -9.935 -0.612 -4.156 683 HA LEU 98 HA LEU 98 -7.273 0.074 -3.772 684 HB2 LEU 98 1HB LEU 98 -8.817 0.012 -1.938 685 HB3 LEU 98 2HB LEU 98 -9.071 -1.718 -2.151 686 HG LEU 98 HG LEU 98 -6.828 -2.181 -1.374 687 HD11 LEU 98 1HD1 LEU 98 -6.475 0.770 -0.911 688 HD12 LEU 98 2HD1 LEU 98 -5.846 -0.071 -2.326 689 HD13 LEU 98 3HD1 LEU 98 -5.281 -0.512 -0.716 690 HD21 LEU 98 1HD2 LEU 98 -8.887 -1.435 0.180 691 HD22 LEU 98 2HD2 LEU 98 -7.686 -0.244 0.682 692 HD23 LEU 98 3HD2 LEU 98 -7.330 -1.966 0.819 693 H ILE 99 H ILE 99 -8.692 -3.184 -4.014 694 HA ILE 99 HA ILE 99 -6.405 -4.695 -3.710 695 HB ILE 99 HB ILE 99 -8.698 -5.281 -5.586 696 HG12 ILE 99 1HG1 ILE 99 -8.320 -6.237 -2.747 697 HG13 ILE 99 2HG1 ILE 99 -9.266 -4.809 -3.157 698 HG21 ILE 99 1HG2 ILE 99 -7.108 -7.399 -4.237 699 HG22 ILE 99 2HG2 ILE 99 -7.958 -7.434 -5.779 700 HG23 ILE 99 3HG2 ILE 99 -6.413 -6.596 -5.645 701 HD11 ILE 99 1HD1 ILE 99 -9.826 -7.677 -3.794 702 HD12 ILE 99 2HD1 ILE 99 -10.840 -6.504 -2.952 703 HD13 ILE 99 3HD1 ILE 99 -10.590 -6.367 -4.693 704 H ALA 100 H ALA 100 -7.692 -3.240 -6.678 705 HA ALA 100 HA ALA 100 -5.685 -4.276 -8.392 706 HB1 ALA 100 1HB ALA 100 -6.486 -2.262 -9.847 707 HB2 ALA 100 2HB ALA 100 -7.565 -3.625 -9.548 708 HB3 ALA 100 3HB ALA 100 -7.749 -2.135 -8.623 709 H TYR 101 H TYR 101 -6.059 -1.185 -6.697 710 HA TYR 101 HA TYR 101 -3.915 0.202 -7.755 711 HB2 TYR 101 1HB TYR 101 -5.635 1.094 -6.155 712 HB3 TYR 101 2HB TYR 101 -4.764 0.288 -4.855 713 HD1 TYR 101 1HD TYR 101 -3.366 2.123 -7.774 714 HD2 TYR 101 2HD TYR 101 -3.961 2.063 -3.561 715 HE1 TYR 101 1HE TYR 101 -1.901 4.085 -7.545 716 HE2 TYR 101 2HE TYR 101 -2.498 4.027 -3.321 717 HH TYR 101 HH TYR 101 -0.410 5.051 -5.597 718 H LEU 102 H LEU 102 -3.933 -1.958 -4.928 719 HA LEU 102 HA LEU 102 -1.228 -1.719 -4.269 720 HB2 LEU 102 1HB LEU 102 -3.003 -4.132 -3.934 721 HB3 LEU 102 2HB LEU 102 -1.499 -3.821 -3.070 722 HG LEU 102 HG LEU 102 -4.036 -2.204 -2.826 723 HD11 LEU 102 1HD1 LEU 102 -3.251 -3.382 -0.389 724 HD12 LEU 102 2HD1 LEU 102 -3.227 -4.653 -1.610 725 HD13 LEU 102 3HD1 LEU 102 -4.695 -3.713 -1.347 726 HD21 LEU 102 1HD2 LEU 102 -1.402 -2.011 -1.371 727 HD22 LEU 102 2HD2 LEU 102 -2.868 -1.126 -0.947 728 HD23 LEU 102 3HD2 LEU 102 -2.071 -0.826 -2.492 729 H SER 103 H SER 103 -2.864 -3.787 -6.598 730 HA SER 103 HA SER 103 -0.878 -5.608 -7.191 731 HB2 SER 103 1HB SER 103 -3.242 -5.494 -8.136 732 HB3 SER 103 2HB SER 103 -2.616 -4.331 -9.304 733 HG SER 103 HG SER 103 -0.950 -6.141 -9.614 734 H HIS 104 H HIS 104 -1.226 -2.278 -8.286 735 HA HIS 104 HA HIS 104 0.810 -2.299 -10.229 736 HB2 HIS 104 1HB HIS 104 -0.060 0.049 -8.531 737 HB3 HIS 104 2HB HIS 104 0.739 0.119 -10.099 738 HD1 HIS 104 1HD HIS 104 -1.380 1.583 -10.805 739 HD2 HIS 104 2HD HIS 104 -2.130 -2.422 -9.996 740 HE1 HIS 104 1HE HIS 104 -3.640 1.108 -11.802 741 HE2 HIS 104 2HE HIS 104 -4.110 -1.298 -11.225 742 H PHE 105 H PHE 105 0.864 -1.606 -6.761 743 HA PHE 105 HA PHE 105 3.508 -0.717 -6.569 744 HB2 PHE 105 1HB PHE 105 1.656 -2.057 -4.610 745 HB3 PHE 105 2HB PHE 105 3.300 -1.614 -4.161 746 HD1 PHE 105 1HD PHE 105 0.032 -0.305 -5.238 747 HD2 PHE 105 2HD PHE 105 3.892 0.636 -3.712 748 HE1 PHE 105 1HE PHE 105 -0.729 1.980 -4.735 749 HE2 PHE 105 2HE PHE 105 3.137 2.923 -3.205 750 HZ PHE 105 HZ PHE 105 0.824 3.597 -3.715 751 H HIS 106 H HIS 106 2.176 -3.988 -6.131 752 HA HIS 106 HA HIS 106 4.704 -5.217 -5.715 753 HB2 HIS 106 1HB HIS 106 2.565 -6.202 -4.945 754 HB3 HIS 106 2HB HIS 106 2.109 -6.480 -6.623 755 HD1 HIS 106 1HD HIS 106 2.038 -9.021 -6.419 756 HD2 HIS 106 2HD HIS 106 5.704 -7.379 -5.361 757 HE1 HIS 106 1HE HIS 106 3.617 -10.969 -6.230 758 HE2 HIS 106 2HE HIS 106 5.808 -9.960 -5.505 759 H SER 107 H SER 107 2.462 -5.609 -8.465 760 HA SER 107 HA SER 107 3.925 -6.955 -10.244 761 HB2 SER 107 1HB SER 107 2.103 -4.609 -10.621 762 HB3 SER 107 2HB SER 107 2.965 -5.256 -12.017 763 HG SER 107 HG SER 107 0.824 -6.178 -11.537 764 H ALA 108 H ALA 108 4.517 -3.635 -9.290 765 HA ALA 108 HA ALA 108 6.644 -3.307 -11.240 766 HB1 ALA 108 1HB ALA 108 6.612 -1.075 -10.749 767 HB2 ALA 108 2HB ALA 108 4.958 -1.509 -10.312 768 HB3 ALA 108 3HB ALA 108 6.187 -1.338 -9.058 769 H PHE 109 H PHE 109 6.402 -3.110 -7.684 770 HA PHE 109 HA PHE 109 9.274 -3.455 -7.444 771 HB2 PHE 109 1HB PHE 109 7.061 -2.898 -5.483 772 HB3 PHE 109 2HB PHE 109 8.678 -3.331 -4.936 773 HD1 PHE 109 1HD PHE 109 6.760 -0.846 -6.888 774 HD2 PHE 109 2HD PHE 109 10.411 -1.748 -4.893 775 HE1 PHE 109 1HE PHE 109 7.459 1.503 -7.113 776 HE2 PHE 109 2HE PHE 109 11.115 0.599 -5.114 777 HZ PHE 109 HZ PHE 109 9.638 2.229 -6.224 778 H LYS 110 H LYS 110 7.960 -5.659 -8.589 779 HA LYS 110 HA LYS 110 7.403 -7.691 -6.687 780 HB2 LYS 110 1HB LYS 110 7.920 -7.631 -9.634 781 HB3 LYS 110 2HB LYS 110 7.919 -9.177 -8.794 782 HG2 LYS 110 1HG LYS 110 5.625 -8.241 -7.855 783 HG3 LYS 110 2HG LYS 110 5.682 -7.316 -9.356 784 HD2 LYS 110 1HD LYS 110 5.905 -10.317 -9.123 785 HD3 LYS 110 2HD LYS 110 4.471 -9.427 -9.641 786 HE2 LYS 110 1HE LYS 110 7.045 -8.960 -11.066 787 HE3 LYS 110 2HE LYS 110 6.156 -10.447 -11.390 788 HZ1 LYS 110 1HZ LYS 110 5.435 -7.679 -12.003 789 HZ2 LYS 110 2HZ LYS 110 4.183 -8.756 -11.639 790 HZ3 LYS 110 3HZ LYS 110 5.227 -9.079 -12.931 791 H SER 111 H SER 111 8.687 -9.782 -6.661 792 HA SER 111 HA SER 111 10.567 -10.715 -5.710 793 HB2 SER 111 1HB SER 111 10.770 -10.954 -8.237 794 HB3 SER 111 2HB SER 111 11.903 -9.604 -8.181 795 HG SER 111 HG SER 111 12.156 -12.152 -6.973 796 H GLY 112 H GLY 112 10.119 -8.096 -4.712 797 HA2 GLY 112 1HA GLY 112 12.640 -6.683 -4.723 798 HA3 GLY 112 2HA GLY 112 11.207 -6.257 -3.800 799 HA PRO 113 HA PRO 113 14.356 -7.798 -0.800 800 HB2 PRO 113 1HB PRO 113 13.827 -5.899 1.067 801 HB3 PRO 113 2HB PRO 113 14.957 -5.646 -0.268 802 HG2 PRO 113 1HG PRO 113 12.106 -4.773 -0.008 803 HG3 PRO 113 2HG PRO 113 13.501 -3.870 -0.627 804 HD2 PRO 113 1HD PRO 113 11.689 -5.048 -2.258 805 HD3 PRO 113 2HD PRO 113 13.403 -4.887 -2.693 806 H SER 114 H SER 114 13.197 -9.673 -0.331 807 HA SER 114 HA SER 114 10.984 -9.374 1.591 808 HB2 SER 114 1HB SER 114 10.177 -10.485 -0.369 809 HB3 SER 114 2HB SER 114 11.576 -11.558 -0.413 810 HG SER 114 HG SER 114 9.305 -12.077 0.697 811 H SER 115 H SER 115 11.924 -9.471 3.552 812 HA SER 115 HA SER 115 14.139 -11.199 4.125 813 HB2 SER 115 1HB SER 115 13.986 -10.345 6.387 814 HB3 SER 115 2HB SER 115 13.776 -9.004 5.261 815 HG SER 115 HG SER 115 11.702 -10.409 6.600 816 H GLY 116 H GLY 116 14.106 -13.241 4.817 817 HA2 GLY 116 1HA GLY 116 11.627 -14.657 5.006 818 HA3 GLY 116 2HA GLY 116 13.230 -15.322 5.283 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.725 -21.669 -12.179 2 HA2 GLY 1 1HA GLY 1 9.370 -24.061 -13.303 3 HA3 GLY 1 2HA GLY 1 10.091 -24.160 -11.703 4 H SER 2 H SER 2 8.370 -23.146 -10.002 5 HA SER 2 HA SER 2 6.258 -25.071 -9.961 6 HB2 SER 2 1HB SER 2 7.517 -24.130 -7.945 7 HB3 SER 2 2HB SER 2 6.509 -22.695 -8.117 8 HG SER 2 HG SER 2 5.879 -25.178 -7.141 9 H SER 3 H SER 3 3.981 -24.280 -9.319 10 HA SER 3 HA SER 3 3.209 -22.036 -11.068 11 HB2 SER 3 1HB SER 3 2.659 -24.520 -11.780 12 HB3 SER 3 2HB SER 3 1.337 -24.328 -10.630 13 HG SER 3 HG SER 3 0.845 -23.717 -12.841 14 H GLY 4 H GLY 4 0.793 -21.433 -10.548 15 HA2 GLY 4 1HA GLY 4 0.029 -21.728 -7.784 16 HA3 GLY 4 2HA GLY 4 0.653 -20.131 -8.167 17 H SER 5 H SER 5 -1.832 -20.180 -7.250 18 HA SER 5 HA SER 5 -3.872 -20.582 -9.159 19 HB2 SER 5 1HB SER 5 -3.886 -18.719 -6.772 20 HB3 SER 5 2HB SER 5 -5.303 -19.321 -7.631 21 HG SER 5 HG SER 5 -4.282 -20.424 -5.578 22 H SER 6 H SER 6 -4.655 -19.334 -10.748 23 HA SER 6 HA SER 6 -3.310 -16.779 -11.244 24 HB2 SER 6 1HB SER 6 -4.278 -17.009 -13.545 25 HB3 SER 6 2HB SER 6 -3.193 -18.324 -13.095 26 HG SER 6 HG SER 6 -5.890 -18.670 -12.519 27 H GLY 7 H GLY 7 -4.332 -14.883 -11.075 28 HA2 GLY 7 1HA GLY 7 -6.082 -13.355 -11.071 29 HA3 GLY 7 2HA GLY 7 -7.197 -14.674 -11.396 30 H THR 8 H THR 8 -4.929 -13.951 -8.743 31 HA THR 8 HA THR 8 -7.155 -13.758 -6.880 32 HB THR 8 HB THR 8 -4.975 -15.826 -6.535 33 HG1 THR 8 1HG THR 8 -6.488 -16.769 -7.781 34 HG21 THR 8 1HG2 THR 8 -5.760 -14.565 -4.455 35 HG22 THR 8 2HG2 THR 8 -5.873 -16.326 -4.414 36 HG23 THR 8 3HG2 THR 8 -7.317 -15.355 -4.706 37 H GLN 9 H GLN 9 -6.703 -12.549 -5.074 38 HA GLN 9 HA GLN 9 -4.216 -11.046 -5.162 39 HB2 GLN 9 1HB GLN 9 -5.277 -9.597 -3.491 40 HB3 GLN 9 2HB GLN 9 -6.309 -9.817 -4.898 41 HG2 GLN 9 1HG GLN 9 -7.463 -11.650 -3.560 42 HG3 GLN 9 2HG GLN 9 -6.610 -11.001 -2.161 43 HE21 GLN 9 1HE2 GLN 9 -6.954 -8.717 -1.676 44 HE22 GLN 9 2HE2 GLN 9 -8.499 -8.018 -2.009 45 H GLU 10 H GLU 10 -3.809 -13.695 -4.451 46 HA GLU 10 HA GLU 10 -3.601 -13.844 -1.564 47 HB2 GLU 10 1HB GLU 10 -4.218 -15.853 -2.792 48 HB3 GLU 10 2HB GLU 10 -2.733 -15.763 -3.730 49 HG2 GLU 10 1HG GLU 10 -1.422 -16.141 -1.713 50 HG3 GLU 10 2HG GLU 10 -2.903 -16.210 -0.759 51 H GLU 11 H GLU 11 -1.313 -14.057 -4.294 52 HA GLU 11 HA GLU 11 1.017 -13.946 -2.733 53 HB2 GLU 11 1HB GLU 11 0.746 -14.600 -5.205 54 HB3 GLU 11 2HB GLU 11 0.838 -12.876 -5.540 55 HG2 GLU 11 1HG GLU 11 3.014 -13.614 -5.837 56 HG3 GLU 11 2HG GLU 11 3.026 -12.929 -4.212 57 H LEU 12 H LEU 12 -1.068 -11.445 -3.999 58 HA LEU 12 HA LEU 12 0.704 -9.265 -3.611 59 HB2 LEU 12 1HB LEU 12 -1.197 -9.085 -5.091 60 HB3 LEU 12 2HB LEU 12 -2.305 -9.374 -3.751 61 HG LEU 12 HG LEU 12 -1.571 -7.224 -2.748 62 HD11 LEU 12 1HD1 LEU 12 -0.058 -5.822 -3.710 63 HD12 LEU 12 2HD1 LEU 12 -0.374 -6.414 -5.340 64 HD13 LEU 12 3HD1 LEU 12 0.615 -7.366 -4.233 65 HD21 LEU 12 1HD2 LEU 12 -2.507 -5.886 -4.899 66 HD22 LEU 12 2HD2 LEU 12 -3.526 -6.788 -3.776 67 HD23 LEU 12 3HD2 LEU 12 -3.017 -7.528 -5.293 68 H LEU 13 H LEU 13 -1.906 -10.635 -1.632 69 HA LEU 13 HA LEU 13 -1.876 -8.805 0.454 70 HB2 LEU 13 1HB LEU 13 -3.615 -10.396 0.378 71 HB3 LEU 13 2HB LEU 13 -2.482 -11.745 0.375 72 HG LEU 13 HG LEU 13 -1.886 -11.179 2.721 73 HD11 LEU 13 1HD1 LEU 13 -3.203 -8.793 2.152 74 HD12 LEU 13 2HD1 LEU 13 -2.581 -9.320 3.715 75 HD13 LEU 13 3HD1 LEU 13 -4.260 -9.642 3.281 76 HD21 LEU 13 1HD2 LEU 13 -3.922 -12.674 1.806 77 HD22 LEU 13 2HD2 LEU 13 -4.817 -11.526 2.803 78 HD23 LEU 13 3HD2 LEU 13 -3.534 -12.504 3.518 79 H ARG 14 H ARG 14 -0.480 -12.058 0.803 80 HA ARG 14 HA ARG 14 1.040 -11.715 3.000 81 HB2 ARG 14 1HB ARG 14 1.435 -13.339 0.535 82 HB3 ARG 14 2HB ARG 14 2.770 -13.244 1.676 83 HG2 ARG 14 1HG ARG 14 1.218 -14.015 3.460 84 HG3 ARG 14 2HG ARG 14 -0.013 -14.251 2.218 85 HD2 ARG 14 1HD ARG 14 0.856 -16.356 2.275 86 HD3 ARG 14 2HD ARG 14 1.929 -15.637 1.075 87 HE ARG 14 HE ARG 14 3.664 -15.840 2.556 88 HH11 ARG 14 2HH1 ARG 14 0.654 -16.243 4.258 89 HH12 ARG 14 1HH1 ARG 14 1.408 -16.737 5.738 90 HH21 ARG 14 2HH2 ARG 14 4.667 -16.489 4.499 91 HH22 ARG 14 1HH2 ARG 14 3.689 -16.875 5.875 92 H TRP 15 H TRP 15 2.103 -10.919 -0.300 93 HA TRP 15 HA TRP 15 4.660 -10.033 0.254 94 HB2 TRP 15 1HB TRP 15 3.815 -10.290 -2.025 95 HB3 TRP 15 2HB TRP 15 2.715 -8.934 -1.788 96 HD1 TRP 15 HD TRP 15 6.540 -9.591 -1.828 97 HE1 TRP 15 1HE TRP 15 7.694 -7.479 -2.742 98 HE3 TRP 15 3HE TRP 15 2.439 -6.580 -2.336 99 HZ2 TRP 15 2HZ TRP 15 6.962 -4.881 -3.568 100 HZ3 TRP 15 3HZ TRP 15 2.752 -4.295 -3.195 101 HH2 TRP 15 HH TRP 15 4.968 -3.465 -3.797 102 H CYS 16 H CYS 16 1.644 -8.150 0.287 103 HA CYS 16 HA CYS 16 2.795 -5.685 0.975 104 HB2 CYS 16 1HB CYS 16 0.034 -6.833 1.300 105 HB3 CYS 16 2HB CYS 16 0.427 -5.231 1.913 106 HG CYS 16 HG CYS 16 -0.108 -6.243 -1.230 107 H GLN 17 H GLN 17 1.504 -8.301 2.982 108 HA GLN 17 HA GLN 17 1.593 -7.116 5.468 109 HB2 GLN 17 1HB GLN 17 2.102 -9.953 4.602 110 HB3 GLN 17 2HB GLN 17 2.130 -9.486 6.297 111 HG2 GLN 17 1HG GLN 17 -0.171 -8.711 6.136 112 HG3 GLN 17 2HG GLN 17 -0.204 -9.145 4.427 113 HE21 GLN 17 1HE2 GLN 17 -1.944 -10.110 6.472 114 HE22 GLN 17 2HE2 GLN 17 -1.721 -11.820 6.572 115 H GLU 18 H GLU 18 4.227 -8.710 3.709 116 HA GLU 18 HA GLU 18 6.164 -8.447 5.746 117 HB2 GLU 18 1HB GLU 18 6.444 -8.747 2.754 118 HB3 GLU 18 2HB GLU 18 7.805 -8.781 3.865 119 HG2 GLU 18 1HG GLU 18 5.481 -10.657 4.132 120 HG3 GLU 18 2HG GLU 18 6.868 -11.011 3.104 121 H GLN 19 H GLN 19 5.227 -6.371 3.051 122 HA GLN 19 HA GLN 19 7.328 -4.496 3.342 123 HB2 GLN 19 1HB GLN 19 4.574 -4.167 2.140 124 HB3 GLN 19 2HB GLN 19 5.888 -3.010 1.973 125 HG2 GLN 19 1HG GLN 19 5.693 -5.781 0.846 126 HG3 GLN 19 2HG GLN 19 5.867 -4.252 -0.015 127 HE21 GLN 19 1HE2 GLN 19 7.457 -6.941 0.638 128 HE22 GLN 19 2HE2 GLN 19 9.081 -6.358 0.730 129 H THR 20 H THR 20 3.880 -4.183 4.214 130 HA THR 20 HA THR 20 4.119 -1.810 5.656 131 HB THR 20 HB THR 20 1.988 -2.429 6.749 132 HG1 THR 20 1HG THR 20 2.313 -4.899 5.357 133 HG21 THR 20 1HG2 THR 20 1.579 -3.322 3.953 134 HG22 THR 20 2HG2 THR 20 2.352 -1.755 4.184 135 HG23 THR 20 3HG2 THR 20 0.757 -2.061 4.871 136 H ALA 21 H ALA 21 4.529 -5.157 6.683 137 HA ALA 21 HA ALA 21 4.499 -5.116 9.362 138 HB1 ALA 21 1HB ALA 21 6.953 -6.371 8.761 139 HB2 ALA 21 2HB ALA 21 5.377 -7.122 9.011 140 HB3 ALA 21 3HB ALA 21 5.880 -6.646 7.389 141 H GLY 22 H GLY 22 5.763 -4.446 11.076 142 HA2 GLY 22 1HA GLY 22 7.781 -3.527 11.998 143 HA3 GLY 22 2HA GLY 22 8.102 -2.773 10.443 144 H TYR 23 H TYR 23 5.895 -1.413 9.834 145 HA TYR 23 HA TYR 23 6.059 0.923 11.294 146 HB2 TYR 23 1HB TYR 23 4.974 0.492 8.996 147 HB3 TYR 23 2HB TYR 23 3.516 0.105 9.904 148 HD1 TYR 23 2HD TYR 23 3.282 2.030 11.957 149 HD2 TYR 23 1HD TYR 23 4.826 2.576 8.030 150 HE1 TYR 23 2HE TYR 23 2.713 4.421 12.072 151 HE2 TYR 23 1HE TYR 23 4.262 4.968 8.134 152 HH TYR 23 HH TYR 23 2.413 6.305 10.788 153 HA PRO 24 HA PRO 24 3.932 -0.119 15.046 154 HB2 PRO 24 1HB PRO 24 3.921 2.384 16.097 155 HB3 PRO 24 2HB PRO 24 5.361 1.359 16.073 156 HG2 PRO 24 1HG PRO 24 4.591 3.588 14.228 157 HG3 PRO 24 2HG PRO 24 6.172 3.223 14.946 158 HD2 PRO 24 1HD PRO 24 5.541 2.561 12.397 159 HD3 PRO 24 2HD PRO 24 6.639 1.586 13.392 160 H GLY 25 H GLY 25 1.829 -0.615 14.681 161 HA2 GLY 25 1HA GLY 25 -0.436 0.020 15.073 162 HA3 GLY 25 2HA GLY 25 -0.046 1.641 14.516 163 H VAL 26 H VAL 26 1.027 -1.157 12.748 164 HA VAL 26 HA VAL 26 -1.094 -0.715 10.754 165 HB VAL 26 HB VAL 26 1.865 -0.976 10.221 166 HG11 VAL 26 1HG1 VAL 26 1.055 -2.281 8.516 167 HG12 VAL 26 2HG1 VAL 26 -0.490 -1.431 8.452 168 HG13 VAL 26 3HG1 VAL 26 0.959 -0.683 7.777 169 HG21 VAL 26 1HG2 VAL 26 0.262 1.253 10.615 170 HG22 VAL 26 2HG2 VAL 26 1.862 1.226 9.873 171 HG23 VAL 26 3HG2 VAL 26 0.421 1.134 8.862 172 H HIS 27 H HIS 27 -2.221 -2.531 10.601 173 HA HIS 27 HA HIS 27 -0.764 -5.086 10.507 174 HB2 HIS 27 1HB HIS 27 -1.908 -4.716 12.724 175 HB3 HIS 27 2HB HIS 27 -3.443 -4.722 11.859 176 HD1 HIS 27 1HD HIS 27 -1.902 -6.865 13.963 177 HD2 HIS 27 2HD HIS 27 -3.095 -7.346 10.014 178 HE1 HIS 27 1HE HIS 27 -2.138 -9.346 13.629 179 HE2 HIS 27 2HE HIS 27 -2.778 -9.617 11.208 180 H VAL 28 H VAL 28 -0.910 -5.384 8.329 181 HA VAL 28 HA VAL 28 -3.461 -5.050 6.976 182 HB VAL 28 HB VAL 28 -0.760 -5.900 5.925 183 HG11 VAL 28 1HG1 VAL 28 -3.400 -5.503 4.546 184 HG12 VAL 28 2HG1 VAL 28 -1.864 -5.398 3.686 185 HG13 VAL 28 3HG1 VAL 28 -2.327 -6.901 4.484 186 HG21 VAL 28 1HG2 VAL 28 -2.276 -3.300 5.815 187 HG22 VAL 28 2HG2 VAL 28 -0.707 -3.605 6.563 188 HG23 VAL 28 3HG2 VAL 28 -0.872 -3.655 4.808 189 H SER 29 H SER 29 -4.714 -6.698 7.895 190 HA SER 29 HA SER 29 -3.804 -9.452 7.619 191 HB2 SER 29 1HB SER 29 -5.005 -8.598 9.684 192 HB3 SER 29 2HB SER 29 -6.463 -8.500 8.698 193 HG SER 29 HG SER 29 -4.988 -10.890 8.779 194 H ASP 30 H ASP 30 -5.560 -7.171 5.853 195 HA ASP 30 HA ASP 30 -6.167 -9.058 3.795 196 HB2 ASP 30 1HB ASP 30 -8.695 -8.244 3.895 197 HB3 ASP 30 2HB ASP 30 -8.147 -9.666 4.779 198 H LEU 31 H LEU 31 -7.847 -7.777 2.198 199 HA LEU 31 HA LEU 31 -6.679 -5.089 1.888 200 HB2 LEU 31 1HB LEU 31 -7.399 -7.168 -0.156 201 HB3 LEU 31 2HB LEU 31 -7.189 -5.472 -0.584 202 HG LEU 31 HG LEU 31 -4.856 -5.606 0.273 203 HD11 LEU 31 1HD1 LEU 31 -4.213 -8.245 0.210 204 HD12 LEU 31 2HD1 LEU 31 -5.783 -8.285 1.013 205 HD13 LEU 31 3HD1 LEU 31 -4.476 -7.306 1.680 206 HD21 LEU 31 1HD2 LEU 31 -5.353 -7.693 -1.832 207 HD22 LEU 31 2HD2 LEU 31 -3.983 -6.593 -1.677 208 HD23 LEU 31 3HD2 LEU 31 -5.568 -5.970 -2.138 209 H SER 32 H SER 32 -9.165 -5.943 3.269 210 HA SER 32 HA SER 32 -11.212 -4.726 1.559 211 HB2 SER 32 1HB SER 32 -11.782 -6.887 2.585 212 HB3 SER 32 2HB SER 32 -11.500 -6.203 4.187 213 HG SER 32 HG SER 32 -13.166 -4.577 3.390 214 H SER 33 H SER 33 -10.354 -4.624 5.022 215 HA SER 33 HA SER 33 -10.873 -1.724 4.962 216 HB2 SER 33 1HB SER 33 -12.662 -2.990 6.152 217 HB3 SER 33 2HB SER 33 -11.443 -3.587 7.279 218 HG SER 33 HG SER 33 -11.288 -1.646 8.172 219 H SER 34 H SER 34 -8.797 -4.301 5.871 220 HA SER 34 HA SER 34 -7.286 -3.272 7.926 221 HB2 SER 34 1HB SER 34 -6.722 -5.119 5.660 222 HB3 SER 34 2HB SER 34 -5.337 -4.488 6.552 223 HG SER 34 HG SER 34 -7.208 -6.334 7.305 224 H TRP 35 H TRP 35 -7.506 -2.164 4.678 225 HA TRP 35 HA TRP 35 -5.126 -0.477 5.004 226 HB2 TRP 35 1HB TRP 35 -6.775 -1.053 2.533 227 HB3 TRP 35 2HB TRP 35 -5.327 -0.052 2.582 228 HD1 TRP 35 HD TRP 35 -6.292 -3.727 3.404 229 HE1 TRP 35 1HE TRP 35 -4.302 -5.226 2.755 230 HE3 TRP 35 3HE TRP 35 -3.006 -0.109 1.903 231 HZ2 TRP 35 2HZ TRP 35 -1.686 -4.915 1.743 232 HZ3 TRP 35 3HZ TRP 35 -0.780 -0.794 1.109 233 HH2 TRP 35 HH TRP 35 -0.135 -3.148 1.032 234 H ALA 36 H ALA 36 -8.582 -0.399 4.814 235 HA ALA 36 HA ALA 36 -9.252 2.090 3.992 236 HB1 ALA 36 1HB ALA 36 -10.768 1.844 6.292 237 HB2 ALA 36 2HB ALA 36 -11.179 1.223 4.693 238 HB3 ALA 36 3HB ALA 36 -10.372 0.179 5.862 239 H ASP 37 H ASP 37 -7.985 1.277 7.208 240 HA ASP 37 HA ASP 37 -8.151 3.600 8.567 241 HB2 ASP 37 1HB ASP 37 -5.527 2.122 8.455 242 HB3 ASP 37 2HB ASP 37 -6.251 2.958 9.826 243 H GLY 38 H GLY 38 -5.731 2.882 6.069 244 HA2 GLY 38 1HA GLY 38 -5.192 4.722 4.528 245 HA3 GLY 38 2HA GLY 38 -5.184 5.783 5.928 246 H LEU 39 H LEU 39 -3.722 4.187 7.707 247 HA LEU 39 HA LEU 39 -1.106 4.894 7.098 248 HB2 LEU 39 1HB LEU 39 -2.392 3.091 9.070 249 HB3 LEU 39 2HB LEU 39 -0.654 2.924 8.832 250 HG LEU 39 HG LEU 39 -1.976 5.536 9.543 251 HD11 LEU 39 1HD1 LEU 39 -2.174 3.513 11.205 252 HD12 LEU 39 2HD1 LEU 39 -1.744 5.123 11.780 253 HD13 LEU 39 3HD1 LEU 39 -0.488 3.908 11.541 254 HD21 LEU 39 1HD2 LEU 39 0.849 4.810 10.141 255 HD22 LEU 39 2HD2 LEU 39 0.133 6.387 9.806 256 HD23 LEU 39 3HD2 LEU 39 0.419 5.249 8.488 257 H ALA 40 H ALA 40 -2.704 1.740 6.760 258 HA ALA 40 HA ALA 40 -0.792 0.028 6.053 259 HB1 ALA 40 1HB ALA 40 -2.342 -0.900 4.307 260 HB2 ALA 40 2HB ALA 40 -3.061 -0.657 5.901 261 HB3 ALA 40 3HB ALA 40 -3.389 0.490 4.602 262 H LEU 41 H LEU 41 -2.245 2.174 3.594 263 HA LEU 41 HA LEU 41 -0.457 1.611 1.545 264 HB2 LEU 41 1HB LEU 41 -2.289 3.853 2.183 265 HB3 LEU 41 2HB LEU 41 -1.070 4.133 0.942 266 HG LEU 41 HG LEU 41 -2.825 1.726 0.745 267 HD11 LEU 41 1HD1 LEU 41 -4.345 3.598 1.204 268 HD12 LEU 41 2HD1 LEU 41 -4.507 2.998 -0.446 269 HD13 LEU 41 3HD1 LEU 41 -3.629 4.495 -0.135 270 HD21 LEU 41 1HD2 LEU 41 -1.661 3.577 -1.331 271 HD22 LEU 41 2HD2 LEU 41 -2.459 2.031 -1.615 272 HD23 LEU 41 3HD2 LEU 41 -0.905 2.082 -0.781 273 H CYS 42 H CYS 42 -0.253 4.012 4.128 274 HA CYS 42 HA CYS 42 2.006 5.392 3.224 275 HB2 CYS 42 1HB CYS 42 1.357 4.883 6.126 276 HB3 CYS 42 2HB CYS 42 2.194 6.268 5.434 277 HG CYS 42 HG CYS 42 -1.092 5.585 4.783 278 H ALA 43 H ALA 43 1.821 2.740 5.601 279 HA ALA 43 HA ALA 43 4.536 2.414 6.047 280 HB1 ALA 43 1HB ALA 43 2.239 1.142 6.869 281 HB2 ALA 43 2HB ALA 43 3.103 -0.119 5.987 282 HB3 ALA 43 3HB ALA 43 3.886 0.710 7.332 283 H LEU 44 H LEU 44 2.501 1.005 3.514 284 HA LEU 44 HA LEU 44 4.438 -0.702 2.402 285 HB2 LEU 44 1HB LEU 44 2.184 -1.052 1.804 286 HB3 LEU 44 2HB LEU 44 1.986 0.618 1.275 287 HG LEU 44 HG LEU 44 3.642 0.048 -0.582 288 HD11 LEU 44 1HD1 LEU 44 4.190 -2.125 -1.057 289 HD12 LEU 44 2HD1 LEU 44 2.805 -2.783 -0.188 290 HD13 LEU 44 3HD1 LEU 44 4.194 -2.167 0.707 291 HD21 LEU 44 1HD2 LEU 44 1.366 -1.641 -1.186 292 HD22 LEU 44 2HD2 LEU 44 1.840 -0.091 -1.881 293 HD23 LEU 44 3HD2 LEU 44 0.885 -0.138 -0.398 294 H VAL 45 H VAL 45 3.596 2.665 1.709 295 HA VAL 45 HA VAL 45 5.414 2.940 -0.470 296 HB VAL 45 HB VAL 45 4.132 5.060 1.259 297 HG11 VAL 45 1HG1 VAL 45 5.118 6.659 0.036 298 HG12 VAL 45 2HG1 VAL 45 6.282 5.403 -0.392 299 HG13 VAL 45 3HG1 VAL 45 4.929 5.758 -1.467 300 HG21 VAL 45 1HG2 VAL 45 3.048 5.044 -1.328 301 HG22 VAL 45 2HG2 VAL 45 3.105 3.357 -0.812 302 HG23 VAL 45 3HG2 VAL 45 2.260 4.552 0.172 303 H TYR 46 H TYR 46 5.492 4.355 2.808 304 HA TYR 46 HA TYR 46 8.017 5.425 2.760 305 HB2 TYR 46 1HB TYR 46 6.411 4.215 4.994 306 HB3 TYR 46 2HB TYR 46 8.016 4.873 5.289 307 HD1 TYR 46 1HD TYR 46 8.414 7.320 4.494 308 HD2 TYR 46 2HD TYR 46 4.561 5.616 5.092 309 HE1 TYR 46 1HE TYR 46 7.455 9.575 4.702 310 HE2 TYR 46 2HE TYR 46 3.591 7.867 5.301 311 HH TYR 46 HH TYR 46 4.593 10.241 6.024 312 H ARG 47 H ARG 47 7.110 2.101 3.607 313 HA ARG 47 HA ARG 47 9.717 1.219 4.231 314 HB2 ARG 47 1HB ARG 47 7.460 0.102 4.758 315 HB3 ARG 47 2HB ARG 47 7.552 -0.557 3.131 316 HG2 ARG 47 1HG ARG 47 8.463 -2.263 4.350 317 HG3 ARG 47 2HG ARG 47 9.913 -1.362 3.906 318 HD2 ARG 47 1HD ARG 47 8.461 -0.793 6.465 319 HD3 ARG 47 2HD ARG 47 9.619 -2.118 6.356 320 HE ARG 47 HE ARG 47 11.008 -0.017 5.382 321 HH11 ARG 47 2HH1 ARG 47 9.161 -0.506 8.292 322 HH12 ARG 47 1HH1 ARG 47 10.121 0.581 9.240 323 HH21 ARG 47 2HH2 ARG 47 12.279 1.417 6.619 324 HH22 ARG 47 1HH2 ARG 47 11.893 1.675 8.287 325 H LEU 48 H LEU 48 7.759 0.539 1.324 326 HA LEU 48 HA LEU 48 9.447 -0.789 -0.262 327 HB2 LEU 48 1HB LEU 48 7.514 1.391 -0.834 328 HB3 LEU 48 2HB LEU 48 8.582 0.878 -2.140 329 HG LEU 48 HG LEU 48 6.729 -0.963 -0.631 330 HD11 LEU 48 1HD1 LEU 48 5.588 -0.903 -2.979 331 HD12 LEU 48 2HD1 LEU 48 6.353 0.681 -3.089 332 HD13 LEU 48 3HD1 LEU 48 5.224 0.336 -1.780 333 HD21 LEU 48 1HD2 LEU 48 8.738 -1.303 -2.779 334 HD22 LEU 48 2HD2 LEU 48 7.225 -2.194 -2.948 335 HD23 LEU 48 3HD2 LEU 48 8.227 -2.420 -1.513 336 H GLN 49 H GLN 49 9.558 2.741 0.155 337 HA GLN 49 HA GLN 49 12.342 2.666 -0.807 338 HB2 GLN 49 1HB GLN 49 10.468 3.807 -2.268 339 HB3 GLN 49 2HB GLN 49 10.678 5.130 -1.128 340 HG2 GLN 49 1HG GLN 49 13.122 5.086 -1.671 341 HG3 GLN 49 2HG GLN 49 12.745 3.941 -2.957 342 HE21 GLN 49 1HE2 GLN 49 12.518 7.222 -1.879 343 HE22 GLN 49 2HE2 GLN 49 11.984 7.898 -3.377 344 HA PRO 50 HA PRO 50 12.693 4.223 3.431 345 HB2 PRO 50 1HB PRO 50 15.334 3.632 3.651 346 HB3 PRO 50 2HB PRO 50 14.059 2.431 3.881 347 HG2 PRO 50 1HG PRO 50 15.756 2.951 1.471 348 HG3 PRO 50 2HG PRO 50 15.283 1.402 2.193 349 HD2 PRO 50 1HD PRO 50 14.055 2.427 0.009 350 HD3 PRO 50 2HD PRO 50 13.200 1.436 1.208 351 H GLY 51 H GLY 51 13.973 5.243 0.470 352 HA2 GLY 51 1HA GLY 51 15.753 7.268 1.464 353 HA3 GLY 51 2HA GLY 51 15.191 7.093 -0.191 354 H LEU 52 H LEU 52 12.364 7.129 0.596 355 HA LEU 52 HA LEU 52 11.959 9.941 0.459 356 HB2 LEU 52 1HB LEU 52 10.220 7.534 0.599 357 HB3 LEU 52 2HB LEU 52 9.504 9.100 0.976 358 HG LEU 52 HG LEU 52 11.029 8.836 -1.565 359 HD11 LEU 52 1HD1 LEU 52 9.825 6.970 -2.034 360 HD12 LEU 52 2HD1 LEU 52 8.625 8.182 -2.479 361 HD13 LEU 52 3HD1 LEU 52 8.529 7.383 -0.910 362 HD21 LEU 52 1HD2 LEU 52 10.233 10.956 -1.425 363 HD22 LEU 52 2HD2 LEU 52 8.865 10.498 -0.410 364 HD23 LEU 52 3HD2 LEU 52 8.815 10.198 -2.148 365 H LEU 53 H LEU 53 10.872 11.289 1.966 366 HA LEU 53 HA LEU 53 11.813 11.342 4.519 367 HB2 LEU 53 1HB LEU 53 10.062 12.885 5.065 368 HB3 LEU 53 2HB LEU 53 10.592 13.174 3.409 369 HG LEU 53 HG LEU 53 8.314 13.375 3.203 370 HD11 LEU 53 1HD1 LEU 53 9.076 11.720 1.611 371 HD12 LEU 53 2HD1 LEU 53 7.447 11.327 2.156 372 HD13 LEU 53 3HD1 LEU 53 8.827 10.433 2.791 373 HD21 LEU 53 1HD2 LEU 53 6.868 11.456 4.366 374 HD22 LEU 53 2HD2 LEU 53 7.314 12.950 5.192 375 HD23 LEU 53 3HD2 LEU 53 8.243 11.476 5.471 376 H GLU 54 H GLU 54 10.464 11.186 6.584 377 HA GLU 54 HA GLU 54 9.101 8.577 6.588 378 HB2 GLU 54 1HB GLU 54 9.699 8.520 9.019 379 HB3 GLU 54 2HB GLU 54 11.080 8.500 7.932 380 HG2 GLU 54 1HG GLU 54 11.380 10.913 8.309 381 HG3 GLU 54 2HG GLU 54 10.044 10.875 9.460 382 HA PRO 55 HA PRO 55 5.326 10.383 7.913 383 HB2 PRO 55 1HB PRO 55 4.351 8.440 9.539 384 HB3 PRO 55 2HB PRO 55 4.412 8.279 7.780 385 HG2 PRO 55 1HG PRO 55 6.284 7.191 9.847 386 HG3 PRO 55 2HG PRO 55 5.632 6.399 8.402 387 HD2 PRO 55 1HD PRO 55 8.127 7.445 8.488 388 HD3 PRO 55 2HD PRO 55 7.154 7.416 7.003 389 H SER 56 H SER 56 6.243 12.130 9.129 390 HA SER 56 HA SER 56 6.670 11.692 11.981 391 HB2 SER 56 1HB SER 56 8.321 13.081 10.925 392 HB3 SER 56 2HB SER 56 7.079 14.107 10.208 393 HG SER 56 HG SER 56 7.069 13.844 12.979 394 H GLU 57 H GLU 57 4.387 13.150 9.781 395 HA GLU 57 HA GLU 57 2.837 14.228 12.024 396 HB2 GLU 57 1HB GLU 57 2.371 14.602 9.061 397 HB3 GLU 57 2HB GLU 57 1.575 15.467 10.368 398 HG2 GLU 57 1HG GLU 57 4.542 15.583 9.939 399 HG3 GLU 57 2HG GLU 57 3.422 16.683 9.137 400 H LEU 58 H LEU 58 2.655 11.944 9.352 401 HA LEU 58 HA LEU 58 -0.014 11.255 9.413 402 HB2 LEU 58 1HB LEU 58 2.486 9.783 8.749 403 HB3 LEU 58 2HB LEU 58 0.981 8.874 8.868 404 HG LEU 58 HG LEU 58 0.011 10.403 7.144 405 HD11 LEU 58 1HD1 LEU 58 1.164 12.340 6.986 406 HD12 LEU 58 2HD1 LEU 58 2.059 11.435 5.766 407 HD13 LEU 58 3HD1 LEU 58 2.705 11.588 7.399 408 HD21 LEU 58 1HD2 LEU 58 1.629 8.183 6.857 409 HD22 LEU 58 2HD2 LEU 58 2.297 9.337 5.703 410 HD23 LEU 58 3HD2 LEU 58 0.593 8.888 5.615 411 H GLN 59 H GLN 59 2.475 10.543 11.719 412 HA GLN 59 HA GLN 59 1.581 8.317 13.027 413 HB2 GLN 59 1HB GLN 59 2.890 10.830 13.998 414 HB3 GLN 59 2HB GLN 59 2.382 9.612 15.160 415 HG2 GLN 59 1HG GLN 59 3.708 7.974 13.668 416 HG3 GLN 59 2HG GLN 59 4.466 9.431 13.028 417 HE21 GLN 59 1HE2 GLN 59 5.488 10.869 14.593 418 HE22 GLN 59 2HE2 GLN 59 6.233 10.184 15.994 419 H GLY 60 H GLY 60 0.284 11.589 13.231 420 HA2 GLY 60 1HA GLY 60 -2.031 10.474 14.684 421 HA3 GLY 60 2HA GLY 60 -1.302 11.995 15.179 422 H LEU 61 H LEU 61 -2.201 10.635 12.010 423 HA LEU 61 HA LEU 61 -3.670 13.131 11.480 424 HB2 LEU 61 1HB LEU 61 -2.094 11.283 9.755 425 HB3 LEU 61 2HB LEU 61 -3.431 12.180 9.038 426 HG LEU 61 HG LEU 61 -1.089 13.446 10.458 427 HD11 LEU 61 1HD1 LEU 61 -1.200 12.271 7.890 428 HD12 LEU 61 2HD1 LEU 61 0.095 13.235 8.598 429 HD13 LEU 61 3HD1 LEU 61 -1.184 14.021 7.673 430 HD21 LEU 61 1HD2 LEU 61 -1.941 15.486 9.293 431 HD22 LEU 61 2HD2 LEU 61 -3.009 14.863 10.551 432 HD23 LEU 61 3HD2 LEU 61 -3.380 14.566 8.852 433 H GLY 62 H GLY 62 -5.553 12.885 9.975 434 HA2 GLY 62 1HA GLY 62 -7.388 11.000 11.049 435 HA3 GLY 62 2HA GLY 62 -7.686 12.073 9.690 436 H ALA 63 H ALA 63 -8.337 9.197 10.155 437 HA ALA 63 HA ALA 63 -6.906 7.331 8.852 438 HB1 ALA 63 1HB ALA 63 -9.451 7.435 9.707 439 HB2 ALA 63 2HB ALA 63 -9.717 7.422 7.962 440 HB3 ALA 63 3HB ALA 63 -8.806 6.119 8.725 441 H LEU 64 H LEU 64 -8.457 10.086 7.381 442 HA LEU 64 HA LEU 64 -7.963 9.121 4.686 443 HB2 LEU 64 1HB LEU 64 -9.937 10.614 5.617 444 HB3 LEU 64 2HB LEU 64 -8.807 11.917 5.252 445 HG LEU 64 HG LEU 64 -8.749 11.219 2.912 446 HD11 LEU 64 1HD1 LEU 64 -9.378 9.194 2.273 447 HD12 LEU 64 2HD1 LEU 64 -11.018 9.496 2.846 448 HD13 LEU 64 3HD1 LEU 64 -9.813 8.815 3.939 449 HD21 LEU 64 1HD2 LEU 64 -10.660 12.656 4.095 450 HD22 LEU 64 2HD2 LEU 64 -11.657 11.350 3.456 451 HD23 LEU 64 3HD2 LEU 64 -10.659 12.313 2.365 452 H GLU 65 H GLU 65 -7.008 11.970 6.611 453 HA GLU 65 HA GLU 65 -5.278 13.259 5.036 454 HB2 GLU 65 1HB GLU 65 -5.081 12.564 7.942 455 HB3 GLU 65 2HB GLU 65 -3.765 13.437 7.171 456 HG2 GLU 65 1HG GLU 65 -6.607 14.378 7.003 457 HG3 GLU 65 2HG GLU 65 -5.555 14.802 8.353 458 H ALA 66 H ALA 66 -4.550 10.216 6.693 459 HA ALA 66 HA ALA 66 -1.858 10.000 5.953 460 HB1 ALA 66 1HB ALA 66 -3.500 8.540 7.509 461 HB2 ALA 66 2HB ALA 66 -3.390 7.488 6.096 462 HB3 ALA 66 3HB ALA 66 -1.924 7.978 6.947 463 H THR 67 H THR 67 -4.474 8.021 4.564 464 HA THR 67 HA THR 67 -3.268 6.989 2.396 465 HB THR 67 HB THR 67 -6.021 8.210 2.183 466 HG1 THR 67 1HG THR 67 -5.989 6.988 4.066 467 HG21 THR 67 1HG2 THR 67 -5.921 5.666 1.023 468 HG22 THR 67 2HG2 THR 67 -4.432 6.467 0.520 469 HG23 THR 67 3HG2 THR 67 -5.993 7.215 0.186 470 H ALA 68 H ALA 68 -4.375 10.314 2.710 471 HA ALA 68 HA ALA 68 -4.200 11.199 0.104 472 HB1 ALA 68 1HB ALA 68 -4.344 13.298 0.951 473 HB2 ALA 68 2HB ALA 68 -4.757 12.406 2.415 474 HB3 ALA 68 3HB ALA 68 -3.115 13.006 2.183 475 H TRP 69 H TRP 69 -1.589 11.265 2.535 476 HA TRP 69 HA TRP 69 0.420 12.204 0.837 477 HB2 TRP 69 1HB TRP 69 0.755 12.229 3.218 478 HB3 TRP 69 2HB TRP 69 0.582 10.478 3.311 479 HD1 TRP 69 HD TRP 69 3.092 13.192 2.358 480 HE1 TRP 69 1HE TRP 69 5.424 12.124 2.146 481 HE3 TRP 69 3HE TRP 69 1.771 8.271 2.765 482 HZ2 TRP 69 2HZ TRP 69 6.554 9.538 2.149 483 HZ3 TRP 69 3HZ TRP 69 3.538 6.562 2.650 484 HH2 TRP 69 HH TRP 69 5.879 7.185 2.349 485 H ALA 70 H ALA 70 -0.168 8.842 1.880 486 HA ALA 70 HA ALA 70 1.704 7.500 0.449 487 HB1 ALA 70 1HB ALA 70 -1.107 6.466 0.483 488 HB2 ALA 70 2HB ALA 70 0.409 5.580 0.657 489 HB3 ALA 70 3HB ALA 70 -0.170 6.604 1.971 490 H LEU 71 H LEU 71 -1.582 8.120 -0.807 491 HA LEU 71 HA LEU 71 -1.157 7.237 -3.398 492 HB2 LEU 71 1HB LEU 71 -3.000 9.303 -2.246 493 HB3 LEU 71 2HB LEU 71 -2.991 8.947 -3.972 494 HG LEU 71 HG LEU 71 -3.352 6.698 -2.048 495 HD11 LEU 71 1HD1 LEU 71 -5.573 8.558 -2.880 496 HD12 LEU 71 2HD1 LEU 71 -4.874 8.473 -1.265 497 HD13 LEU 71 3HD1 LEU 71 -5.731 7.082 -1.928 498 HD21 LEU 71 1HD2 LEU 71 -3.868 5.591 -3.904 499 HD22 LEU 71 2HD2 LEU 71 -3.383 7.017 -4.823 500 HD23 LEU 71 3HD2 LEU 71 -5.071 6.799 -4.357 501 H LYS 72 H LYS 72 -0.020 10.090 -1.856 502 HA LYS 72 HA LYS 72 0.496 11.524 -4.316 503 HB2 LYS 72 1HB LYS 72 -0.034 12.520 -1.978 504 HB3 LYS 72 2HB LYS 72 1.668 12.231 -1.642 505 HG2 LYS 72 1HG LYS 72 2.228 13.604 -3.641 506 HG3 LYS 72 2HG LYS 72 0.512 13.993 -3.791 507 HD2 LYS 72 1HD LYS 72 1.861 14.441 -1.171 508 HD3 LYS 72 2HD LYS 72 2.163 15.580 -2.486 509 HE2 LYS 72 1HE LYS 72 0.340 16.560 -1.509 510 HE3 LYS 72 2HE LYS 72 -0.459 15.524 -2.690 511 HZ1 LYS 72 1HZ LYS 72 0.008 14.772 0.143 512 HZ2 LYS 72 2HZ LYS 72 -0.894 13.911 -0.999 513 HZ3 LYS 72 3HZ LYS 72 -1.444 15.413 -0.445 514 H VAL 73 H VAL 73 2.672 10.566 -1.656 515 HA VAL 73 HA VAL 73 5.059 10.794 -3.002 516 HB VAL 73 HB VAL 73 4.234 8.944 -0.781 517 HG11 VAL 73 1HG1 VAL 73 6.882 9.117 -2.181 518 HG12 VAL 73 2HG1 VAL 73 6.755 8.602 -0.498 519 HG13 VAL 73 3HG1 VAL 73 5.942 7.684 -1.766 520 HG21 VAL 73 1HG2 VAL 73 4.385 11.064 0.095 521 HG22 VAL 73 2HG2 VAL 73 6.035 10.486 0.338 522 HG23 VAL 73 3HG2 VAL 73 5.664 11.550 -1.018 523 H ALA 74 H ALA 74 2.700 8.225 -3.171 524 HA ALA 74 HA ALA 74 4.404 6.355 -4.516 525 HB1 ALA 74 1HB ALA 74 1.393 6.419 -4.351 526 HB2 ALA 74 2HB ALA 74 2.385 5.049 -4.852 527 HB3 ALA 74 3HB ALA 74 2.466 5.637 -3.191 528 H GLU 75 H GLU 75 2.061 8.792 -5.510 529 HA GLU 75 HA GLU 75 2.218 8.046 -8.294 530 HB2 GLU 75 1HB GLU 75 0.133 8.946 -7.387 531 HB3 GLU 75 2HB GLU 75 0.951 10.441 -6.953 532 HG2 GLU 75 1HG GLU 75 0.833 9.469 -9.785 533 HG3 GLU 75 2HG GLU 75 -0.459 10.433 -9.071 534 H ASN 76 H ASN 76 3.979 10.031 -6.153 535 HA ASN 76 HA ASN 76 5.067 11.692 -8.293 536 HB2 ASN 76 1HB ASN 76 5.191 11.769 -5.300 537 HB3 ASN 76 2HB ASN 76 6.416 12.614 -6.240 538 HD21 ASN 76 1HD2 ASN 76 3.863 13.253 -4.546 539 HD22 ASN 76 2HD2 ASN 76 3.117 14.507 -5.472 540 H GLU 77 H GLU 77 6.463 9.814 -5.597 541 HA GLU 77 HA GLU 77 8.996 9.580 -6.894 542 HB2 GLU 77 1HB GLU 77 7.780 8.593 -4.367 543 HB3 GLU 77 2HB GLU 77 9.175 7.719 -4.983 544 HG2 GLU 77 1HG GLU 77 9.005 10.593 -4.148 545 HG3 GLU 77 2HG GLU 77 10.016 9.313 -3.479 546 H LEU 78 H LEU 78 6.794 6.986 -5.825 547 HA LEU 78 HA LEU 78 7.932 5.025 -7.495 548 HB2 LEU 78 1HB LEU 78 5.096 4.957 -6.517 549 HB3 LEU 78 2HB LEU 78 6.191 3.607 -6.803 550 HG LEU 78 HG LEU 78 6.321 5.591 -4.534 551 HD11 LEU 78 1HD1 LEU 78 5.659 2.655 -4.660 552 HD12 LEU 78 2HD1 LEU 78 4.583 3.974 -4.203 553 HD13 LEU 78 3HD1 LEU 78 5.946 3.550 -3.169 554 HD21 LEU 78 1HD2 LEU 78 8.484 5.117 -4.384 555 HD22 LEU 78 2HD2 LEU 78 8.377 3.969 -5.719 556 HD23 LEU 78 3HD2 LEU 78 8.047 3.437 -4.070 557 H GLY 79 H GLY 79 5.442 7.403 -8.024 558 HA2 GLY 79 1HA GLY 79 4.492 8.110 -10.003 559 HA3 GLY 79 2HA GLY 79 5.520 6.966 -10.851 560 H ILE 80 H ILE 80 3.696 5.581 -8.340 561 HA ILE 80 HA ILE 80 2.192 3.996 -10.190 562 HB ILE 80 HB ILE 80 2.044 4.170 -7.178 563 HG12 ILE 80 1HG1 ILE 80 4.190 3.338 -8.082 564 HG13 ILE 80 2HG1 ILE 80 3.308 2.085 -7.216 565 HG21 ILE 80 1HG2 ILE 80 0.309 2.878 -9.085 566 HG22 ILE 80 2HG2 ILE 80 1.071 1.698 -8.021 567 HG23 ILE 80 3HG2 ILE 80 0.141 3.030 -7.337 568 HD11 ILE 80 1HD1 ILE 80 4.257 1.148 -9.199 569 HD12 ILE 80 2HD1 ILE 80 2.506 1.223 -9.394 570 HD13 ILE 80 3HD1 ILE 80 3.534 2.411 -10.196 571 H THR 81 H THR 81 0.965 5.609 -11.295 572 HA THR 81 HA THR 81 -0.637 7.573 -10.492 573 HB THR 81 HB THR 81 -1.195 5.408 -12.488 574 HG1 THR 81 1HG THR 81 0.027 7.770 -12.487 575 HG21 THR 81 1HG2 THR 81 -3.409 5.803 -11.989 576 HG22 THR 81 2HG2 THR 81 -3.115 7.063 -13.186 577 HG23 THR 81 3HG2 THR 81 -3.107 7.460 -11.468 578 HA PRO 82 HA PRO 82 -3.313 5.966 -7.350 579 HB2 PRO 82 1HB PRO 82 -4.961 8.117 -7.181 580 HB3 PRO 82 2HB PRO 82 -3.329 8.101 -6.502 581 HG2 PRO 82 1HG PRO 82 -4.294 9.262 -9.086 582 HG3 PRO 82 2HG PRO 82 -3.167 9.951 -7.903 583 HD2 PRO 82 1HD PRO 82 -2.333 8.759 -10.186 584 HD3 PRO 82 2HD PRO 82 -1.391 8.707 -8.682 585 H VAL 83 H VAL 83 -4.330 4.278 -8.476 586 HA VAL 83 HA VAL 83 -6.311 4.659 -10.460 587 HB VAL 83 HB VAL 83 -4.978 2.519 -9.892 588 HG11 VAL 83 1HG1 VAL 83 -6.117 0.943 -8.428 589 HG12 VAL 83 2HG1 VAL 83 -5.657 2.397 -7.540 590 HG13 VAL 83 3HG1 VAL 83 -7.332 2.161 -8.040 591 HG21 VAL 83 1HG2 VAL 83 -7.778 1.725 -10.310 592 HG22 VAL 83 2HG2 VAL 83 -7.184 2.983 -11.393 593 HG23 VAL 83 3HG2 VAL 83 -6.353 1.431 -11.306 594 H VAL 84 H VAL 84 -6.468 4.205 -6.958 595 HA VAL 84 HA VAL 84 -9.376 4.628 -7.057 596 HB VAL 84 HB VAL 84 -7.631 3.518 -4.857 597 HG11 VAL 84 1HG1 VAL 84 -9.431 4.873 -3.914 598 HG12 VAL 84 2HG1 VAL 84 -10.614 3.973 -4.866 599 HG13 VAL 84 3HG1 VAL 84 -9.694 3.159 -3.601 600 HG21 VAL 84 1HG2 VAL 84 -9.359 2.349 -6.951 601 HG22 VAL 84 2HG2 VAL 84 -7.909 1.702 -6.182 602 HG23 VAL 84 3HG2 VAL 84 -9.460 1.620 -5.347 603 H SER 85 H SER 85 -10.356 6.081 -5.541 604 HA SER 85 HA SER 85 -8.763 8.471 -5.146 605 HB2 SER 85 1HB SER 85 -11.686 7.821 -5.001 606 HB3 SER 85 2HB SER 85 -11.084 9.290 -4.233 607 HG SER 85 HG SER 85 -10.413 10.042 -6.189 608 H ALA 86 H ALA 86 -7.992 9.202 -3.259 609 HA ALA 86 HA ALA 86 -7.449 7.727 -1.085 610 HB1 ALA 86 1HB ALA 86 -6.472 9.658 -0.588 611 HB2 ALA 86 2HB ALA 86 -7.576 10.550 -1.634 612 HB3 ALA 86 3HB ALA 86 -8.022 10.218 0.040 613 H GLN 87 H GLN 87 -10.486 9.445 -1.643 614 HA GLN 87 HA GLN 87 -11.635 8.945 0.883 615 HB2 GLN 87 1HB GLN 87 -12.405 10.613 -0.880 616 HB3 GLN 87 2HB GLN 87 -13.167 9.254 -1.694 617 HG2 GLN 87 1HG GLN 87 -14.284 8.849 0.622 618 HG3 GLN 87 2HG GLN 87 -13.865 10.539 0.902 619 HE21 GLN 87 1HE2 GLN 87 -16.487 9.563 0.820 620 HE22 GLN 87 2HE2 GLN 87 -17.288 10.264 -0.540 621 H ALA 88 H ALA 88 -12.143 7.305 -2.242 622 HA ALA 88 HA ALA 88 -13.865 5.316 -1.418 623 HB1 ALA 88 1HB ALA 88 -11.668 4.866 -3.423 624 HB2 ALA 88 2HB ALA 88 -13.264 4.115 -3.367 625 HB3 ALA 88 3HB ALA 88 -13.108 5.824 -3.769 626 H VAL 89 H VAL 89 -10.313 5.283 -1.370 627 HA VAL 89 HA VAL 89 -9.835 2.707 -0.539 628 HB VAL 89 HB VAL 89 -8.378 5.183 0.400 629 HG11 VAL 89 1HG1 VAL 89 -8.100 2.681 1.413 630 HG12 VAL 89 2HG1 VAL 89 -6.920 2.652 0.100 631 HG13 VAL 89 3HG1 VAL 89 -6.814 3.884 1.358 632 HG21 VAL 89 1HG2 VAL 89 -8.604 4.819 -2.097 633 HG22 VAL 89 2HG2 VAL 89 -6.958 4.946 -1.476 634 HG23 VAL 89 3HG2 VAL 89 -7.630 3.365 -1.878 635 H VAL 90 H VAL 90 -10.247 5.525 1.614 636 HA VAL 90 HA VAL 90 -10.321 3.973 3.988 637 HB VAL 90 HB VAL 90 -11.301 6.786 3.483 638 HG11 VAL 90 1HG1 VAL 90 -11.514 5.065 5.803 639 HG12 VAL 90 2HG1 VAL 90 -10.620 6.544 6.157 640 HG13 VAL 90 3HG1 VAL 90 -12.251 6.635 5.492 641 HG21 VAL 90 1HG2 VAL 90 -9.082 7.062 4.968 642 HG22 VAL 90 2HG2 VAL 90 -8.666 5.591 4.086 643 HG23 VAL 90 3HG2 VAL 90 -9.071 7.065 3.204 644 H ALA 91 H ALA 91 -12.928 5.817 2.389 645 HA ALA 91 HA ALA 91 -15.072 5.007 3.863 646 HB1 ALA 91 1HB ALA 91 -16.107 4.985 1.310 647 HB2 ALA 91 2HB ALA 91 -15.924 6.402 2.344 648 HB3 ALA 91 3HB ALA 91 -14.677 6.007 1.160 649 H GLY 92 H GLY 92 -13.144 3.059 1.785 650 HA2 GLY 92 1HA GLY 92 -13.214 0.826 1.259 651 HA3 GLY 92 2HA GLY 92 -14.246 0.643 2.670 652 H SER 93 H SER 93 -15.278 2.767 0.154 653 HA SER 93 HA SER 93 -17.648 1.232 -0.279 654 HB2 SER 93 1HB SER 93 -18.446 3.064 -1.430 655 HB3 SER 93 2HB SER 93 -17.202 3.840 -0.452 656 HG SER 93 HG SER 93 -17.390 3.906 -3.038 657 H ASP 94 H ASP 94 -14.720 1.879 -2.148 658 HA ASP 94 HA ASP 94 -15.607 -0.108 -4.131 659 HB2 ASP 94 1HB ASP 94 -13.485 2.028 -4.434 660 HB3 ASP 94 2HB ASP 94 -14.044 0.930 -5.692 661 HA PRO 95 HA PRO 95 -12.332 -2.321 -1.813 662 HB2 PRO 95 1HB PRO 95 -13.415 -4.776 -2.223 663 HB3 PRO 95 2HB PRO 95 -13.931 -3.704 -0.915 664 HG2 PRO 95 1HG PRO 95 -15.201 -4.184 -3.583 665 HG3 PRO 95 2HG PRO 95 -15.966 -4.041 -1.990 666 HD2 PRO 95 1HD PRO 95 -15.919 -2.002 -3.770 667 HD3 PRO 95 2HD PRO 95 -15.880 -1.738 -2.015 668 H LEU 96 H LEU 96 -13.668 -2.707 -5.016 669 HA LEU 96 HA LEU 96 -11.716 -4.539 -5.985 670 HB2 LEU 96 1HB LEU 96 -13.634 -2.669 -7.351 671 HB3 LEU 96 2HB LEU 96 -12.532 -3.717 -8.242 672 HG LEU 96 HG LEU 96 -13.713 -5.565 -6.721 673 HD11 LEU 96 1HD1 LEU 96 -15.126 -3.927 -5.562 674 HD12 LEU 96 2HD1 LEU 96 -16.078 -5.099 -6.472 675 HD13 LEU 96 3HD1 LEU 96 -15.845 -3.469 -7.106 676 HD21 LEU 96 1HD2 LEU 96 -13.638 -5.003 -9.337 677 HD22 LEU 96 2HD2 LEU 96 -15.351 -4.712 -9.028 678 HD23 LEU 96 3HD2 LEU 96 -14.641 -6.283 -8.655 679 H GLY 97 H GLY 97 -12.120 -1.016 -6.340 680 HA2 GLY 97 1HA GLY 97 -9.933 -0.446 -7.918 681 HA3 GLY 97 2HA GLY 97 -10.563 0.638 -6.686 682 H LEU 98 H LEU 98 -9.974 -0.499 -4.353 683 HA LEU 98 HA LEU 98 -7.304 0.087 -3.922 684 HB2 LEU 98 1HB LEU 98 -8.903 0.031 -2.122 685 HB3 LEU 98 2HB LEU 98 -9.149 -1.700 -2.346 686 HG LEU 98 HG LEU 98 -6.867 -2.126 -1.576 687 HD11 LEU 98 1HD1 LEU 98 -5.972 0.083 -2.376 688 HD12 LEU 98 2HD1 LEU 98 -5.434 -0.419 -0.774 689 HD13 LEU 98 3HD1 LEU 98 -6.689 0.809 -0.936 690 HD21 LEU 98 1HD2 LEU 98 -7.509 -0.586 0.706 691 HD22 LEU 98 2HD2 LEU 98 -7.803 -2.303 0.427 692 HD23 LEU 98 3HD2 LEU 98 -9.028 -1.113 -0.019 693 H ILE 99 H ILE 99 -8.767 -3.166 -4.031 694 HA ILE 99 HA ILE 99 -6.519 -4.707 -3.785 695 HB ILE 99 HB ILE 99 -8.887 -5.224 -5.586 696 HG12 ILE 99 1HG1 ILE 99 -8.310 -6.313 -2.827 697 HG13 ILE 99 2HG1 ILE 99 -9.295 -4.882 -3.111 698 HG21 ILE 99 1HG2 ILE 99 -8.239 -7.491 -5.713 699 HG22 ILE 99 2HG2 ILE 99 -6.794 -6.554 -6.088 700 HG23 ILE 99 3HG2 ILE 99 -6.984 -7.280 -4.493 701 HD11 ILE 99 1HD1 ILE 99 -10.704 -6.803 -2.788 702 HD12 ILE 99 2HD1 ILE 99 -10.834 -6.251 -4.459 703 HD13 ILE 99 3HD1 ILE 99 -9.867 -7.674 -4.073 704 H ALA 100 H ALA 100 -7.860 -3.435 -6.830 705 HA ALA 100 HA ALA 100 -5.834 -4.458 -8.499 706 HB1 ALA 100 1HB ALA 100 -7.705 -3.849 -9.682 707 HB2 ALA 100 2HB ALA 100 -7.920 -2.348 -8.780 708 HB3 ALA 100 3HB ALA 100 -6.650 -2.471 -9.997 709 H TYR 101 H TYR 101 -6.165 -1.393 -6.778 710 HA TYR 101 HA TYR 101 -4.088 0.041 -7.906 711 HB2 TYR 101 1HB TYR 101 -5.727 0.904 -6.225 712 HB3 TYR 101 2HB TYR 101 -4.831 0.048 -4.975 713 HD1 TYR 101 1HD TYR 101 -3.446 1.927 -7.865 714 HD2 TYR 101 2HD TYR 101 -4.018 1.806 -3.650 715 HE1 TYR 101 1HE TYR 101 -1.955 3.867 -7.613 716 HE2 TYR 101 2HE TYR 101 -2.530 3.746 -3.387 717 HH TYR 101 HH TYR 101 -1.844 5.800 -5.205 718 H LEU 102 H LEU 102 -3.895 -1.910 -4.923 719 HA LEU 102 HA LEU 102 -1.201 -1.736 -4.446 720 HB2 LEU 102 1HB LEU 102 -2.996 -4.128 -4.076 721 HB3 LEU 102 2HB LEU 102 -1.394 -3.959 -3.363 722 HG LEU 102 HG LEU 102 -3.791 -2.227 -2.763 723 HD11 LEU 102 1HD1 LEU 102 -2.661 -3.664 -0.545 724 HD12 LEU 102 2HD1 LEU 102 -3.139 -4.776 -1.827 725 HD13 LEU 102 3HD1 LEU 102 -4.317 -3.653 -1.149 726 HD21 LEU 102 1HD2 LEU 102 -2.151 -1.590 -0.826 727 HD22 LEU 102 2HD2 LEU 102 -2.037 -0.790 -2.394 728 HD23 LEU 102 3HD2 LEU 102 -0.916 -2.088 -1.983 729 H SER 103 H SER 103 -2.861 -3.984 -6.622 730 HA SER 103 HA SER 103 -0.927 -5.713 -7.367 731 HB2 SER 103 1HB SER 103 -3.319 -5.319 -8.341 732 HB3 SER 103 2HB SER 103 -2.475 -4.345 -9.545 733 HG SER 103 HG SER 103 -1.814 -6.112 -10.457 734 H HIS 104 H HIS 104 -1.208 -2.360 -8.465 735 HA HIS 104 HA HIS 104 0.892 -2.384 -10.320 736 HB2 HIS 104 1HB HIS 104 -0.056 -0.073 -8.613 737 HB3 HIS 104 2HB HIS 104 0.896 0.055 -10.090 738 HD1 HIS 104 1HD HIS 104 -1.059 1.528 -11.065 739 HD2 HIS 104 2HD HIS 104 -2.059 -2.423 -10.255 740 HE1 HIS 104 1HE HIS 104 -3.231 1.123 -12.267 741 HE2 HIS 104 2HE HIS 104 -3.859 -1.247 -11.693 742 H PHE 105 H PHE 105 0.872 -1.617 -6.858 743 HA PHE 105 HA PHE 105 3.537 -0.839 -6.603 744 HB2 PHE 105 1HB PHE 105 1.552 -2.040 -4.695 745 HB3 PHE 105 2HB PHE 105 3.213 -1.748 -4.186 746 HD1 PHE 105 1HD PHE 105 0.244 -0.060 -5.641 747 HD2 PHE 105 2HD PHE 105 3.859 0.353 -3.436 748 HE1 PHE 105 1HE PHE 105 -0.325 2.284 -5.154 749 HE2 PHE 105 2HE PHE 105 3.297 2.697 -2.945 750 HZ PHE 105 HZ PHE 105 1.202 3.665 -3.804 751 H HIS 106 H HIS 106 2.085 -4.056 -6.150 752 HA HIS 106 HA HIS 106 4.538 -5.372 -5.624 753 HB2 HIS 106 1HB HIS 106 2.368 -6.309 -4.952 754 HB3 HIS 106 2HB HIS 106 1.927 -6.510 -6.644 755 HD1 HIS 106 1HD HIS 106 1.932 -8.957 -7.027 756 HD2 HIS 106 2HD HIS 106 5.248 -7.719 -4.851 757 HE1 HIS 106 1HE HIS 106 3.359 -11.009 -6.749 758 HE2 HIS 106 2HE HIS 106 5.317 -10.254 -5.356 759 H SER 107 H SER 107 2.441 -5.644 -8.501 760 HA SER 107 HA SER 107 3.979 -7.055 -10.190 761 HB2 SER 107 1HB SER 107 2.486 -4.525 -10.928 762 HB3 SER 107 2HB SER 107 3.013 -5.763 -12.067 763 HG SER 107 HG SER 107 0.960 -5.834 -10.174 764 H ALA 108 H ALA 108 4.627 -3.812 -9.101 765 HA ALA 108 HA ALA 108 6.845 -3.504 -10.975 766 HB1 ALA 108 1HB ALA 108 6.941 -1.240 -10.325 767 HB2 ALA 108 2HB ALA 108 5.225 -1.633 -10.436 768 HB3 ALA 108 3HB ALA 108 6.007 -1.541 -8.859 769 H PHE 109 H PHE 109 6.220 -3.899 -7.531 770 HA PHE 109 HA PHE 109 9.119 -4.083 -7.063 771 HB2 PHE 109 1HB PHE 109 6.833 -3.427 -5.205 772 HB3 PHE 109 2HB PHE 109 8.450 -3.809 -4.623 773 HD1 PHE 109 1HD PHE 109 6.638 -1.498 -6.903 774 HD2 PHE 109 2HD PHE 109 10.027 -2.131 -4.406 775 HE1 PHE 109 1HE PHE 109 7.298 0.853 -7.206 776 HE2 PHE 109 2HE PHE 109 10.691 0.219 -4.705 777 HZ PHE 109 HZ PHE 109 9.326 1.715 -6.107 778 H LYS 110 H LYS 110 7.810 -6.244 -8.246 779 HA LYS 110 HA LYS 110 7.623 -8.202 -6.055 780 HB2 LYS 110 1HB LYS 110 6.293 -9.575 -7.478 781 HB3 LYS 110 2HB LYS 110 5.649 -7.943 -7.601 782 HG2 LYS 110 1HG LYS 110 6.532 -7.632 -9.745 783 HG3 LYS 110 2HG LYS 110 7.624 -9.010 -9.589 784 HD2 LYS 110 1HD LYS 110 5.400 -10.361 -9.318 785 HD3 LYS 110 2HD LYS 110 4.684 -8.961 -10.120 786 HE2 LYS 110 1HE LYS 110 5.191 -10.362 -11.896 787 HE3 LYS 110 2HE LYS 110 6.582 -9.281 -11.848 788 HZ1 LYS 110 1HZ LYS 110 7.388 -11.481 -12.088 789 HZ2 LYS 110 2HZ LYS 110 6.428 -12.059 -10.820 790 HZ3 LYS 110 3HZ LYS 110 7.721 -11.017 -10.494 791 H SER 111 H SER 111 8.918 -9.988 -6.030 792 HA SER 111 HA SER 111 10.742 -11.285 -6.439 793 HB2 SER 111 1HB SER 111 9.491 -11.863 -8.492 794 HB3 SER 111 2HB SER 111 10.251 -10.506 -9.325 795 HG SER 111 HG SER 111 11.264 -12.620 -9.627 796 H GLY 112 H GLY 112 11.206 -8.612 -5.682 797 HA2 GLY 112 1HA GLY 112 12.993 -7.188 -5.437 798 HA3 GLY 112 2HA GLY 112 13.957 -8.371 -6.306 799 HA PRO 113 HA PRO 113 13.348 -4.464 -8.857 800 HB2 PRO 113 1HB PRO 113 15.974 -3.791 -9.016 801 HB3 PRO 113 2HB PRO 113 14.916 -3.234 -7.714 802 HG2 PRO 113 1HG PRO 113 16.883 -5.490 -7.721 803 HG3 PRO 113 2HG PRO 113 16.581 -4.273 -6.467 804 HD2 PRO 113 1HD PRO 113 15.585 -6.787 -6.328 805 HD3 PRO 113 2HD PRO 113 14.728 -5.383 -5.660 806 H SER 114 H SER 114 14.874 -7.463 -9.029 807 HA SER 114 HA SER 114 15.427 -7.105 -11.902 808 HB2 SER 114 1HB SER 114 17.350 -7.715 -10.237 809 HB3 SER 114 2HB SER 114 16.641 -9.329 -10.290 810 HG SER 114 HG SER 114 18.012 -9.392 -11.945 811 H SER 115 H SER 115 13.667 -7.828 -12.933 812 HA SER 115 HA SER 115 12.213 -10.140 -11.949 813 HB2 SER 115 1HB SER 115 10.605 -9.639 -13.719 814 HB3 SER 115 2HB SER 115 10.990 -8.169 -12.822 815 HG SER 115 HG SER 115 12.540 -7.733 -14.538 816 H GLY 116 H GLY 116 12.102 -12.123 -12.921 817 HA2 GLY 116 1HA GLY 116 12.884 -13.921 -14.118 818 HA3 GLY 116 2HA GLY 116 12.862 -12.821 -15.488 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.963 -18.689 -4.054 2 HA2 GLY 1 1HA GLY 1 11.342 -20.933 -4.481 3 HA3 GLY 1 2HA GLY 1 10.114 -20.378 -3.354 4 H SER 2 H SER 2 9.291 -22.386 -4.774 5 HA SER 2 HA SER 2 7.513 -21.184 -6.781 6 HB2 SER 2 1HB SER 2 9.447 -22.478 -7.824 7 HB3 SER 2 2HB SER 2 8.722 -23.928 -7.129 8 HG SER 2 HG SER 2 7.198 -22.168 -8.718 9 H SER 3 H SER 3 5.901 -21.162 -5.157 10 HA SER 3 HA SER 3 5.096 -23.625 -3.891 11 HB2 SER 3 1HB SER 3 3.618 -20.986 -3.937 12 HB3 SER 3 2HB SER 3 3.406 -22.306 -2.788 13 HG SER 3 HG SER 3 5.885 -21.802 -2.562 14 H GLY 4 H GLY 4 3.666 -21.407 -6.286 15 HA2 GLY 4 1HA GLY 4 2.538 -22.181 -8.236 16 HA3 GLY 4 2HA GLY 4 2.206 -23.695 -7.407 17 H SER 5 H SER 5 1.511 -20.217 -7.029 18 HA SER 5 HA SER 5 -1.311 -20.899 -6.640 19 HB2 SER 5 1HB SER 5 0.406 -19.306 -4.742 20 HB3 SER 5 2HB SER 5 -1.347 -19.120 -4.786 21 HG SER 5 HG SER 5 0.152 -21.100 -3.691 22 H SER 6 H SER 6 -2.691 -19.524 -7.611 23 HA SER 6 HA SER 6 -1.848 -16.839 -8.328 24 HB2 SER 6 1HB SER 6 -1.168 -18.517 -10.182 25 HB3 SER 6 2HB SER 6 -2.894 -18.598 -10.534 26 HG SER 6 HG SER 6 -2.175 -16.976 -11.790 27 H GLY 7 H GLY 7 -3.745 -15.820 -9.718 28 HA2 GLY 7 1HA GLY 7 -6.001 -15.333 -9.926 29 HA3 GLY 7 2HA GLY 7 -6.369 -16.845 -9.110 30 H THR 8 H THR 8 -6.465 -16.896 -6.838 31 HA THR 8 HA THR 8 -7.758 -14.897 -5.549 32 HB THR 8 HB THR 8 -7.361 -17.184 -4.624 33 HG1 THR 8 1HG THR 8 -8.220 -15.569 -3.270 34 HG21 THR 8 1HG2 THR 8 -5.226 -17.065 -3.016 35 HG22 THR 8 2HG2 THR 8 -4.627 -16.072 -4.344 36 HG23 THR 8 3HG2 THR 8 -5.152 -17.728 -4.647 37 H GLN 9 H GLN 9 -7.119 -13.365 -3.886 38 HA GLN 9 HA GLN 9 -4.792 -11.854 -4.706 39 HB2 GLN 9 1HB GLN 9 -6.851 -11.273 -2.569 40 HB3 GLN 9 2HB GLN 9 -5.618 -10.153 -3.133 41 HG2 GLN 9 1HG GLN 9 -7.894 -11.273 -4.752 42 HG3 GLN 9 2HG GLN 9 -7.748 -9.629 -4.132 43 HE21 GLN 9 1HE2 GLN 9 -8.166 -10.157 -6.808 44 HE22 GLN 9 2HE2 GLN 9 -6.760 -9.701 -7.703 45 H GLU 10 H GLU 10 -4.576 -14.475 -3.252 46 HA GLU 10 HA GLU 10 -3.628 -13.953 -0.627 47 HB2 GLU 10 1HB GLU 10 -4.364 -16.171 -1.184 48 HB3 GLU 10 2HB GLU 10 -3.201 -16.284 -2.498 49 HG2 GLU 10 1HG GLU 10 -2.122 -17.501 -0.914 50 HG3 GLU 10 2HG GLU 10 -1.470 -15.903 -0.558 51 H GLU 11 H GLU 11 -2.001 -14.408 -3.747 52 HA GLU 11 HA GLU 11 0.629 -14.134 -2.716 53 HB2 GLU 11 1HB GLU 11 1.296 -13.864 -5.078 54 HB3 GLU 11 2HB GLU 11 0.242 -15.250 -4.834 55 HG2 GLU 11 1HG GLU 11 -0.991 -12.663 -5.611 56 HG3 GLU 11 2HG GLU 11 -0.109 -13.578 -6.833 57 H LEU 12 H LEU 12 -1.825 -11.909 -3.055 58 HA LEU 12 HA LEU 12 -0.043 -9.648 -3.569 59 HB2 LEU 12 1HB LEU 12 -2.131 -9.681 -4.791 60 HB3 LEU 12 2HB LEU 12 -3.040 -9.811 -3.286 61 HG LEU 12 HG LEU 12 -2.209 -7.543 -2.667 62 HD11 LEU 12 1HD1 LEU 12 -0.340 -6.983 -3.807 63 HD12 LEU 12 2HD1 LEU 12 -1.513 -6.299 -4.932 64 HD13 LEU 12 3HD1 LEU 12 -0.810 -7.885 -5.247 65 HD21 LEU 12 1HD2 LEU 12 -3.490 -6.841 -5.135 66 HD22 LEU 12 2HD2 LEU 12 -4.136 -6.815 -3.493 67 HD23 LEU 12 3HD2 LEU 12 -4.237 -8.288 -4.459 68 H LEU 13 H LEU 13 -2.342 -10.802 -1.121 69 HA LEU 13 HA LEU 13 -1.977 -8.715 0.717 70 HB2 LEU 13 1HB LEU 13 -3.833 -10.060 1.094 71 HB3 LEU 13 2HB LEU 13 -2.904 -11.551 0.942 72 HG LEU 13 HG LEU 13 -1.786 -10.869 3.137 73 HD11 LEU 13 1HD1 LEU 13 -2.426 -9.041 4.230 74 HD12 LEU 13 2HD1 LEU 13 -4.135 -9.400 3.987 75 HD13 LEU 13 3HD1 LEU 13 -3.229 -8.546 2.740 76 HD21 LEU 13 1HD2 LEU 13 -4.235 -11.405 4.254 77 HD22 LEU 13 2HD2 LEU 13 -3.093 -12.606 3.650 78 HD23 LEU 13 3HD2 LEU 13 -4.405 -12.037 2.616 79 H ARG 14 H ARG 14 -0.609 -12.010 0.859 80 HA ARG 14 HA ARG 14 1.088 -11.717 2.979 81 HB2 ARG 14 1HB ARG 14 1.485 -13.270 0.422 82 HB3 ARG 14 2HB ARG 14 2.564 -13.408 1.804 83 HG2 ARG 14 1HG ARG 14 0.607 -14.093 3.181 84 HG3 ARG 14 2HG ARG 14 -0.361 -14.105 1.705 85 HD2 ARG 14 1HD ARG 14 0.344 -16.342 2.106 86 HD3 ARG 14 2HD ARG 14 1.290 -15.731 0.748 87 HE ARG 14 HE ARG 14 3.183 -15.939 2.019 88 HH11 ARG 14 2HH1 ARG 14 0.390 -16.124 4.089 89 HH12 ARG 14 1HH1 ARG 14 1.299 -16.579 5.492 90 HH21 ARG 14 2HH2 ARG 14 4.390 -16.539 3.860 91 HH22 ARG 14 1HH2 ARG 14 3.573 -16.813 5.361 92 H TRP 15 H TRP 15 1.962 -11.127 -0.428 93 HA TRP 15 HA TRP 15 4.545 -10.221 -0.037 94 HB2 TRP 15 1HB TRP 15 3.644 -10.665 -2.257 95 HB3 TRP 15 2HB TRP 15 2.531 -9.309 -2.102 96 HD1 TRP 15 HD TRP 15 6.225 -10.096 -2.720 97 HE1 TRP 15 1HE TRP 15 7.371 -7.987 -3.647 98 HE3 TRP 15 3HE TRP 15 2.392 -6.765 -2.129 99 HZ2 TRP 15 2HZ TRP 15 6.735 -5.269 -4.072 100 HZ3 TRP 15 3HZ TRP 15 2.742 -4.429 -2.821 101 HH2 TRP 15 HH TRP 15 4.869 -3.700 -3.772 102 H CYS 16 H CYS 16 1.534 -8.336 -0.034 103 HA CYS 16 HA CYS 16 2.692 -5.817 0.361 104 HB2 CYS 16 1HB CYS 16 -0.024 -6.923 1.064 105 HB3 CYS 16 2HB CYS 16 0.410 -5.243 1.355 106 HG CYS 16 HG CYS 16 -0.631 -6.671 -1.418 107 H GLN 17 H GLN 17 1.471 -8.183 2.711 108 HA GLN 17 HA GLN 17 1.734 -6.807 5.055 109 HB2 GLN 17 1HB GLN 17 2.200 -9.689 4.371 110 HB3 GLN 17 2HB GLN 17 2.477 -9.115 6.010 111 HG2 GLN 17 1HG GLN 17 0.205 -8.460 6.251 112 HG3 GLN 17 2HG GLN 17 -0.115 -8.737 4.540 113 HE21 GLN 17 1HE2 GLN 17 -1.729 -9.892 6.362 114 HE22 GLN 17 2HE2 GLN 17 -1.454 -11.596 6.425 115 H GLU 18 H GLU 18 4.308 -8.865 3.679 116 HA GLU 18 HA GLU 18 6.335 -8.254 5.420 117 HB2 GLU 18 1HB GLU 18 6.524 -8.722 2.441 118 HB3 GLU 18 2HB GLU 18 7.899 -8.737 3.537 119 HG2 GLU 18 1HG GLU 18 5.591 -10.520 4.113 120 HG3 GLU 18 2HG GLU 18 6.704 -10.955 2.819 121 H GLN 19 H GLN 19 5.294 -6.413 2.588 122 HA GLN 19 HA GLN 19 7.359 -4.462 2.771 123 HB2 GLN 19 1HB GLN 19 4.663 -4.267 1.418 124 HB3 GLN 19 2HB GLN 19 6.031 -3.197 1.148 125 HG2 GLN 19 1HG GLN 19 5.852 -6.120 0.467 126 HG3 GLN 19 2HG GLN 19 5.895 -4.761 -0.655 127 HE21 GLN 19 1HE2 GLN 19 7.666 -7.144 -0.202 128 HE22 GLN 19 2HE2 GLN 19 9.256 -6.480 -0.067 129 H THR 20 H THR 20 4.181 -4.809 4.171 130 HA THR 20 HA THR 20 4.314 -2.107 5.296 131 HB THR 20 HB THR 20 1.989 -2.495 6.030 132 HG1 THR 20 1HG THR 20 2.565 -5.004 5.749 133 HG21 THR 20 1HG2 THR 20 0.956 -2.465 3.822 134 HG22 THR 20 2HG2 THR 20 2.430 -3.120 3.107 135 HG23 THR 20 3HG2 THR 20 2.437 -1.508 3.821 136 H ALA 21 H ALA 21 5.845 -4.636 6.137 137 HA ALA 21 HA ALA 21 4.883 -5.142 8.811 138 HB1 ALA 21 1HB ALA 21 6.120 -6.981 8.663 139 HB2 ALA 21 2HB ALA 21 6.511 -6.506 7.009 140 HB3 ALA 21 3HB ALA 21 7.581 -6.048 8.334 141 H GLY 22 H GLY 22 6.306 -4.869 10.712 142 HA2 GLY 22 1HA GLY 22 7.916 -3.717 11.958 143 HA3 GLY 22 2HA GLY 22 8.330 -2.789 10.524 144 H TYR 23 H TYR 23 6.375 -1.367 9.761 145 HA TYR 23 HA TYR 23 6.054 0.754 11.380 146 HB2 TYR 23 1HB TYR 23 5.138 0.271 8.967 147 HB3 TYR 23 2HB TYR 23 3.646 -0.109 9.822 148 HD1 TYR 23 2HD TYR 23 3.359 1.826 11.868 149 HD2 TYR 23 1HD TYR 23 5.019 2.350 7.985 150 HE1 TYR 23 2HE TYR 23 2.796 4.219 11.956 151 HE2 TYR 23 1HE TYR 23 4.461 4.744 8.063 152 HH TYR 23 HH TYR 23 3.914 6.421 10.622 153 HA PRO 24 HA PRO 24 3.790 -0.829 14.873 154 HB2 PRO 24 1HB PRO 24 3.656 1.531 16.208 155 HB3 PRO 24 2HB PRO 24 5.119 0.541 16.154 156 HG2 PRO 24 1HG PRO 24 4.406 2.959 14.540 157 HG3 PRO 24 2HG PRO 24 5.950 2.539 15.306 158 HD2 PRO 24 1HD PRO 24 5.488 2.176 12.662 159 HD3 PRO 24 2HD PRO 24 6.549 1.106 13.603 160 H GLY 25 H GLY 25 1.677 -1.241 14.768 161 HA2 GLY 25 1HA GLY 25 -0.577 -0.514 15.119 162 HA3 GLY 25 2HA GLY 25 -0.170 1.008 14.339 163 H VAL 26 H VAL 26 1.161 -0.122 12.074 164 HA VAL 26 HA VAL 26 -0.993 -0.432 10.320 165 HB VAL 26 HB VAL 26 1.927 -1.109 10.015 166 HG11 VAL 26 1HG1 VAL 26 1.307 -2.447 8.324 167 HG12 VAL 26 2HG1 VAL 26 -0.332 -1.793 8.277 168 HG13 VAL 26 3HG1 VAL 26 0.983 -0.941 7.465 169 HG21 VAL 26 1HG2 VAL 26 0.280 1.068 8.737 170 HG22 VAL 26 2HG2 VAL 26 1.210 1.280 10.221 171 HG23 VAL 26 3HG2 VAL 26 2.035 0.893 8.711 172 H HIS 27 H HIS 27 -2.420 -2.048 10.657 173 HA HIS 27 HA HIS 27 -1.371 -4.789 10.883 174 HB2 HIS 27 1HB HIS 27 -3.776 -3.427 11.985 175 HB3 HIS 27 2HB HIS 27 -3.941 -5.123 11.541 176 HD1 HIS 27 1HD HIS 27 -3.413 -3.284 14.416 177 HD2 HIS 27 2HD HIS 27 -1.389 -6.507 12.748 178 HE1 HIS 27 1HE HIS 27 -2.149 -4.342 16.317 179 HE2 HIS 27 2HE HIS 27 -0.865 -6.237 15.266 180 H VAL 28 H VAL 28 -1.103 -5.286 8.730 181 HA VAL 28 HA VAL 28 -3.421 -5.014 6.955 182 HB VAL 28 HB VAL 28 -0.629 -5.886 6.208 183 HG11 VAL 28 1HG1 VAL 28 -1.581 -4.859 3.973 184 HG12 VAL 28 2HG1 VAL 28 -1.919 -6.529 4.430 185 HG13 VAL 28 3HG1 VAL 28 -3.128 -5.275 4.712 186 HG21 VAL 28 1HG2 VAL 28 -0.484 -3.510 5.297 187 HG22 VAL 28 2HG2 VAL 28 -1.854 -3.145 6.345 188 HG23 VAL 28 3HG2 VAL 28 -0.335 -3.708 7.043 189 H SER 29 H SER 29 -4.488 -6.760 8.202 190 HA SER 29 HA SER 29 -3.426 -9.438 7.771 191 HB2 SER 29 1HB SER 29 -5.076 -10.201 9.299 192 HB3 SER 29 2HB SER 29 -4.501 -8.670 9.957 193 HG SER 29 HG SER 29 -6.423 -7.905 8.500 194 H ASP 30 H ASP 30 -5.537 -7.254 6.270 195 HA ASP 30 HA ASP 30 -6.279 -9.237 4.300 196 HB2 ASP 30 1HB ASP 30 -8.291 -7.952 6.126 197 HB3 ASP 30 2HB ASP 30 -8.742 -8.430 4.492 198 H LEU 31 H LEU 31 -7.781 -8.098 2.599 199 HA LEU 31 HA LEU 31 -6.708 -5.387 2.166 200 HB2 LEU 31 1HB LEU 31 -7.493 -7.384 0.050 201 HB3 LEU 31 2HB LEU 31 -6.731 -5.814 -0.203 202 HG LEU 31 HG LEU 31 -5.339 -7.957 1.366 203 HD11 LEU 31 1HD1 LEU 31 -4.600 -7.727 -1.455 204 HD12 LEU 31 2HD1 LEU 31 -6.188 -8.439 -1.178 205 HD13 LEU 31 3HD1 LEU 31 -4.760 -9.155 -0.432 206 HD21 LEU 31 1HD2 LEU 31 -3.601 -6.560 1.314 207 HD22 LEU 31 2HD2 LEU 31 -4.749 -5.326 0.793 208 HD23 LEU 31 3HD2 LEU 31 -3.816 -6.225 -0.404 209 H SER 32 H SER 32 -8.930 -5.419 3.608 210 HA SER 32 HA SER 32 -11.012 -4.599 1.698 211 HB2 SER 32 1HB SER 32 -12.706 -5.421 3.376 212 HB3 SER 32 2HB SER 32 -11.775 -6.695 2.588 213 HG SER 32 HG SER 32 -11.949 -6.093 5.205 214 H SER 33 H SER 33 -10.388 -4.508 5.211 215 HA SER 33 HA SER 33 -10.946 -1.614 5.128 216 HB2 SER 33 1HB SER 33 -12.100 -1.728 7.169 217 HB3 SER 33 2HB SER 33 -12.644 -3.171 6.312 218 HG SER 33 HG SER 33 -11.292 -2.971 8.646 219 H SER 34 H SER 34 -8.739 -4.068 5.921 220 HA SER 34 HA SER 34 -7.324 -2.909 8.048 221 HB2 SER 34 1HB SER 34 -6.713 -4.951 5.963 222 HB3 SER 34 2HB SER 34 -5.362 -4.270 6.870 223 HG SER 34 HG SER 34 -6.189 -5.074 8.726 224 H TRP 35 H TRP 35 -7.437 -2.142 4.689 225 HA TRP 35 HA TRP 35 -5.032 -0.484 4.875 226 HB2 TRP 35 1HB TRP 35 -6.756 -1.211 2.498 227 HB3 TRP 35 2HB TRP 35 -5.315 -0.201 2.423 228 HD1 TRP 35 HD TRP 35 -6.215 -3.806 3.567 229 HE1 TRP 35 1HE TRP 35 -4.237 -5.338 2.964 230 HE3 TRP 35 3HE TRP 35 -3.025 -0.298 1.655 231 HZ2 TRP 35 2HZ TRP 35 -1.664 -5.092 1.830 232 HZ3 TRP 35 3HZ TRP 35 -0.824 -1.029 0.832 233 HH2 TRP 35 HH TRP 35 -0.159 -3.376 0.919 234 H ALA 36 H ALA 36 -8.390 -0.253 5.157 235 HA ALA 36 HA ALA 36 -8.969 2.242 4.057 236 HB1 ALA 36 1HB ALA 36 -10.982 2.069 5.092 237 HB2 ALA 36 2HB ALA 36 -10.450 0.398 5.281 238 HB3 ALA 36 3HB ALA 36 -10.277 1.535 6.619 239 H ASP 37 H ASP 37 -7.911 1.437 7.358 240 HA ASP 37 HA ASP 37 -7.957 3.767 8.670 241 HB2 ASP 37 1HB ASP 37 -5.438 2.099 8.578 242 HB3 ASP 37 2HB ASP 37 -6.010 3.099 9.910 243 H GLY 38 H GLY 38 -5.709 2.989 6.065 244 HA2 GLY 38 1HA GLY 38 -5.027 4.774 4.572 245 HA3 GLY 38 2HA GLY 38 -4.992 5.848 5.963 246 H LEU 39 H LEU 39 -3.582 4.279 7.775 247 HA LEU 39 HA LEU 39 -0.951 4.883 7.194 248 HB2 LEU 39 1HB LEU 39 -2.303 3.086 9.127 249 HB3 LEU 39 2HB LEU 39 -0.567 2.877 8.904 250 HG LEU 39 HG LEU 39 -1.776 5.543 9.589 251 HD11 LEU 39 1HD1 LEU 39 -2.315 3.635 11.238 252 HD12 LEU 39 2HD1 LEU 39 -1.613 5.127 11.865 253 HD13 LEU 39 3HD1 LEU 39 -0.598 3.704 11.635 254 HD21 LEU 39 1HD2 LEU 39 0.578 5.305 8.676 255 HD22 LEU 39 2HD2 LEU 39 0.970 4.466 10.177 256 HD23 LEU 39 3HD2 LEU 39 0.414 6.141 10.220 257 H ALA 40 H ALA 40 -2.613 1.766 6.811 258 HA ALA 40 HA ALA 40 -0.729 0.029 6.089 259 HB1 ALA 40 1HB ALA 40 -3.328 -0.084 5.854 260 HB2 ALA 40 2HB ALA 40 -2.993 0.304 4.166 261 HB3 ALA 40 3HB ALA 40 -2.301 -1.147 4.892 262 H LEU 41 H LEU 41 -2.207 2.056 3.549 263 HA LEU 41 HA LEU 41 -0.327 1.527 1.577 264 HB2 LEU 41 1HB LEU 41 -2.305 3.681 2.075 265 HB3 LEU 41 2HB LEU 41 -1.068 3.985 0.857 266 HG LEU 41 HG LEU 41 -2.690 1.479 0.718 267 HD11 LEU 41 1HD1 LEU 41 -3.695 3.795 -0.795 268 HD12 LEU 41 2HD1 LEU 41 -4.011 3.814 0.940 269 HD13 LEU 41 3HD1 LEU 41 -4.568 2.460 -0.042 270 HD21 LEU 41 1HD2 LEU 41 -1.384 3.280 -1.318 271 HD22 LEU 41 2HD2 LEU 41 -2.317 1.832 -1.699 272 HD23 LEU 41 3HD2 LEU 41 -0.813 1.698 -0.785 273 H CYS 42 H CYS 42 -0.229 3.804 4.226 274 HA CYS 42 HA CYS 42 1.932 5.375 3.288 275 HB2 CYS 42 1HB CYS 42 1.218 4.869 6.179 276 HB3 CYS 42 2HB CYS 42 2.041 6.271 5.507 277 HG CYS 42 HG CYS 42 -1.111 5.597 4.451 278 H ALA 43 H ALA 43 1.764 2.538 5.409 279 HA ALA 43 HA ALA 43 4.513 2.421 6.020 280 HB1 ALA 43 1HB ALA 43 2.203 0.943 6.656 281 HB2 ALA 43 2HB ALA 43 3.374 -0.200 5.997 282 HB3 ALA 43 3HB ALA 43 3.808 0.813 7.375 283 H LEU 44 H LEU 44 2.589 0.915 3.458 284 HA LEU 44 HA LEU 44 4.630 -0.688 2.375 285 HB2 LEU 44 1HB LEU 44 2.460 -1.216 1.706 286 HB3 LEU 44 2HB LEU 44 2.083 0.454 1.289 287 HG LEU 44 HG LEU 44 3.814 0.142 -0.599 288 HD11 LEU 44 1HD1 LEU 44 4.442 -1.966 -1.242 289 HD12 LEU 44 2HD1 LEU 44 3.085 -2.741 -0.425 290 HD13 LEU 44 3HD1 LEU 44 4.453 -2.141 0.513 291 HD21 LEU 44 1HD2 LEU 44 1.336 -1.511 -0.921 292 HD22 LEU 44 2HD2 LEU 44 2.113 -0.430 -2.078 293 HD23 LEU 44 3HD2 LEU 44 1.241 0.235 -0.696 294 H VAL 45 H VAL 45 3.642 2.639 1.715 295 HA VAL 45 HA VAL 45 5.398 3.033 -0.485 296 HB VAL 45 HB VAL 45 4.131 5.066 1.355 297 HG11 VAL 45 1HG1 VAL 45 4.856 5.834 -1.385 298 HG12 VAL 45 2HG1 VAL 45 5.004 6.734 0.126 299 HG13 VAL 45 3HG1 VAL 45 6.221 5.533 -0.310 300 HG21 VAL 45 1HG2 VAL 45 3.084 4.901 -1.334 301 HG22 VAL 45 2HG2 VAL 45 2.942 3.358 -0.491 302 HG23 VAL 45 3HG2 VAL 45 2.237 4.815 0.210 303 H TYR 46 H TYR 46 5.564 4.196 2.884 304 HA TYR 46 HA TYR 46 8.044 5.390 2.804 305 HB2 TYR 46 1HB TYR 46 6.638 3.925 5.032 306 HB3 TYR 46 2HB TYR 46 8.175 4.749 5.275 307 HD1 TYR 46 1HD TYR 46 8.057 7.246 4.045 308 HD2 TYR 46 2HD TYR 46 4.846 5.111 5.842 309 HE1 TYR 46 1HE TYR 46 6.866 9.366 4.418 310 HE2 TYR 46 2HE TYR 46 3.644 7.224 6.220 311 HH TYR 46 HH TYR 46 4.595 10.162 4.774 312 H ARG 47 H ARG 47 7.345 2.015 3.713 313 HA ARG 47 HA ARG 47 9.953 1.167 4.125 314 HB2 ARG 47 1HB ARG 47 7.672 -0.058 4.467 315 HB3 ARG 47 2HB ARG 47 7.942 -0.641 2.830 316 HG2 ARG 47 1HG ARG 47 9.726 -1.070 5.215 317 HG3 ARG 47 2HG ARG 47 8.727 -2.275 4.402 318 HD2 ARG 47 1HD ARG 47 10.724 -2.732 3.408 319 HD3 ARG 47 2HD ARG 47 10.141 -1.486 2.304 320 HE ARG 47 HE ARG 47 11.527 -0.089 4.171 321 HH11 ARG 47 2HH1 ARG 47 12.280 -2.811 2.137 322 HH12 ARG 47 1HH1 ARG 47 13.966 -2.426 2.023 323 HH21 ARG 47 2HH2 ARG 47 13.744 0.429 4.029 324 HH22 ARG 47 1HH2 ARG 47 14.797 -0.584 3.100 325 H LEU 48 H LEU 48 8.041 0.591 1.164 326 HA LEU 48 HA LEU 48 9.838 -0.485 -0.501 327 HB2 LEU 48 1HB LEU 48 7.810 1.657 -1.012 328 HB3 LEU 48 2HB LEU 48 8.823 1.051 -2.320 329 HG LEU 48 HG LEU 48 7.019 -0.692 -0.647 330 HD11 LEU 48 1HD1 LEU 48 5.594 -0.705 -2.716 331 HD12 LEU 48 2HD1 LEU 48 6.532 0.677 -3.282 332 HD13 LEU 48 3HD1 LEU 48 5.584 0.802 -1.799 333 HD21 LEU 48 1HD2 LEU 48 7.511 -1.762 -3.194 334 HD22 LEU 48 2HD2 LEU 48 8.108 -2.351 -1.642 335 HD23 LEU 48 3HD2 LEU 48 9.072 -1.211 -2.583 336 H GLN 49 H GLN 49 9.703 2.960 0.314 337 HA GLN 49 HA GLN 49 12.459 3.214 -0.678 338 HB2 GLN 49 1HB GLN 49 10.483 4.267 -2.096 339 HB3 GLN 49 2HB GLN 49 10.615 5.549 -0.900 340 HG2 GLN 49 1HG GLN 49 12.959 5.856 -1.464 341 HG3 GLN 49 2HG GLN 49 12.857 4.544 -2.639 342 HE21 GLN 49 1HE2 GLN 49 12.415 7.855 -2.069 343 HE22 GLN 49 2HE2 GLN 49 11.745 8.277 -3.604 344 HA PRO 50 HA PRO 50 12.583 4.562 3.646 345 HB2 PRO 50 1HB PRO 50 15.257 4.175 3.905 346 HB3 PRO 50 2HB PRO 50 14.080 2.864 4.042 347 HG2 PRO 50 1HG PRO 50 15.783 3.644 1.708 348 HG3 PRO 50 2HG PRO 50 15.423 2.027 2.338 349 HD2 PRO 50 1HD PRO 50 14.164 3.060 0.175 350 HD3 PRO 50 2HD PRO 50 13.366 1.943 1.300 351 H GLY 51 H GLY 51 14.485 5.600 0.885 352 HA2 GLY 51 1HA GLY 51 15.830 7.774 2.010 353 HA3 GLY 51 2HA GLY 51 15.369 7.641 0.320 354 H LEU 52 H LEU 52 12.507 7.473 0.953 355 HA LEU 52 HA LEU 52 11.918 10.243 0.868 356 HB2 LEU 52 1HB LEU 52 10.314 7.735 0.993 357 HB3 LEU 52 2HB LEU 52 9.514 9.275 1.293 358 HG LEU 52 HG LEU 52 11.143 9.004 -1.181 359 HD11 LEU 52 1HD1 LEU 52 10.026 7.200 -1.862 360 HD12 LEU 52 2HD1 LEU 52 8.616 8.252 -1.978 361 HD13 LEU 52 3HD1 LEU 52 8.885 7.296 -0.521 362 HD21 LEU 52 1HD2 LEU 52 8.903 10.624 -0.142 363 HD22 LEU 52 2HD2 LEU 52 8.857 10.234 -1.861 364 HD23 LEU 52 3HD2 LEU 52 10.250 11.080 -1.186 365 H LEU 53 H LEU 53 10.497 11.403 2.352 366 HA LEU 53 HA LEU 53 11.448 11.494 4.950 367 HB2 LEU 53 1HB LEU 53 9.673 12.997 5.437 368 HB3 LEU 53 2HB LEU 53 10.177 13.281 3.771 369 HG LEU 53 HG LEU 53 7.879 13.409 3.624 370 HD11 LEU 53 1HD1 LEU 53 8.532 10.509 3.131 371 HD12 LEU 53 2HD1 LEU 53 8.689 11.835 1.980 372 HD13 LEU 53 3HD1 LEU 53 7.092 11.342 2.545 373 HD21 LEU 53 1HD2 LEU 53 6.305 12.128 4.851 374 HD22 LEU 53 2HD2 LEU 53 7.548 12.634 5.996 375 HD23 LEU 53 3HD2 LEU 53 7.541 10.983 5.373 376 H GLU 54 H GLU 54 9.928 11.299 6.933 377 HA GLU 54 HA GLU 54 8.749 8.604 6.860 378 HB2 GLU 54 1HB GLU 54 10.319 10.096 8.893 379 HB3 GLU 54 2HB GLU 54 9.051 9.033 9.489 380 HG2 GLU 54 1HG GLU 54 10.051 7.133 8.484 381 HG3 GLU 54 2HG GLU 54 11.187 8.131 7.581 382 HA PRO 55 HA PRO 55 4.757 10.060 7.947 383 HB2 PRO 55 1HB PRO 55 3.926 8.235 9.777 384 HB3 PRO 55 2HB PRO 55 4.081 7.866 8.055 385 HG2 PRO 55 1HG PRO 55 5.967 7.260 10.299 386 HG3 PRO 55 2HG PRO 55 5.469 6.227 8.947 387 HD2 PRO 55 1HD PRO 55 7.830 7.551 8.974 388 HD3 PRO 55 2HD PRO 55 6.933 7.229 7.477 389 H SER 56 H SER 56 7.281 10.433 9.983 390 HA SER 56 HA SER 56 6.613 10.798 12.528 391 HB2 SER 56 1HB SER 56 7.974 12.874 10.797 392 HB3 SER 56 2HB SER 56 7.978 12.891 12.561 393 HG SER 56 HG SER 56 9.607 11.586 12.436 394 H GLU 57 H GLU 57 5.342 12.703 9.872 395 HA GLU 57 HA GLU 57 3.846 14.421 11.689 396 HB2 GLU 57 1HB GLU 57 3.932 14.378 8.667 397 HB3 GLU 57 2HB GLU 57 3.129 15.593 9.651 398 HG2 GLU 57 1HG GLU 57 5.106 16.631 9.110 399 HG3 GLU 57 2HG GLU 57 5.467 15.949 10.695 400 H LEU 58 H LEU 58 3.255 11.961 9.213 401 HA LEU 58 HA LEU 58 0.492 12.036 9.112 402 HB2 LEU 58 1HB LEU 58 2.547 9.950 8.649 403 HB3 LEU 58 2HB LEU 58 0.874 9.417 8.798 404 HG LEU 58 HG LEU 58 0.304 11.019 6.947 405 HD11 LEU 58 1HD1 LEU 58 3.194 11.522 7.187 406 HD12 LEU 58 2HD1 LEU 58 1.899 12.571 6.611 407 HD13 LEU 58 3HD1 LEU 58 2.579 11.343 5.544 408 HD21 LEU 58 1HD2 LEU 58 0.665 8.565 6.655 409 HD22 LEU 58 2HD2 LEU 58 2.332 8.919 6.199 410 HD23 LEU 58 3HD2 LEU 58 1.000 9.528 5.215 411 H GLN 59 H GLN 59 2.598 10.529 11.490 412 HA GLN 59 HA GLN 59 0.998 8.840 12.861 413 HB2 GLN 59 1HB GLN 59 2.276 9.282 14.819 414 HB3 GLN 59 2HB GLN 59 3.353 9.526 13.451 415 HG2 GLN 59 1HG GLN 59 3.052 11.935 13.626 416 HG3 GLN 59 2HG GLN 59 1.945 11.704 14.979 417 HE21 GLN 59 1HE2 GLN 59 4.017 13.308 15.404 418 HE22 GLN 59 2HE2 GLN 59 5.208 12.551 16.401 419 H GLY 60 H GLY 60 0.947 12.379 13.145 420 HA2 GLY 60 1HA GLY 60 -1.602 12.125 14.617 421 HA3 GLY 60 2HA GLY 60 -0.471 13.451 14.839 422 H LEU 61 H LEU 61 -1.909 11.920 11.961 423 HA LEU 61 HA LEU 61 -2.735 14.606 11.082 424 HB2 LEU 61 1HB LEU 61 -1.666 12.240 9.652 425 HB3 LEU 61 2HB LEU 61 -2.874 13.213 8.815 426 HG LEU 61 HG LEU 61 -0.200 14.163 9.838 427 HD11 LEU 61 1HD1 LEU 61 -0.812 14.468 7.015 428 HD12 LEU 61 2HD1 LEU 61 -0.796 12.783 7.532 429 HD13 LEU 61 3HD1 LEU 61 0.619 13.800 7.800 430 HD21 LEU 61 1HD2 LEU 61 -1.120 16.188 9.886 431 HD22 LEU 61 2HD2 LEU 61 -2.623 15.599 9.177 432 HD23 LEU 61 3HD2 LEU 61 -1.281 16.068 8.134 433 H GLY 62 H GLY 62 -3.716 11.291 10.212 434 HA2 GLY 62 1HA GLY 62 -6.140 11.060 11.393 435 HA3 GLY 62 2HA GLY 62 -6.477 12.123 10.035 436 H ALA 63 H ALA 63 -7.645 9.587 10.369 437 HA ALA 63 HA ALA 63 -6.448 7.456 9.086 438 HB1 ALA 63 1HB ALA 63 -9.270 7.753 8.400 439 HB2 ALA 63 2HB ALA 63 -8.447 6.476 9.296 440 HB3 ALA 63 3HB ALA 63 -8.933 7.959 10.119 441 H LEU 64 H LEU 64 -8.267 10.143 7.651 442 HA LEU 64 HA LEU 64 -7.873 9.155 4.970 443 HB2 LEU 64 1HB LEU 64 -9.795 10.648 6.011 444 HB3 LEU 64 2HB LEU 64 -8.721 11.953 5.511 445 HG LEU 64 HG LEU 64 -8.846 11.188 3.200 446 HD11 LEU 64 1HD1 LEU 64 -9.392 9.094 2.728 447 HD12 LEU 64 2HD1 LEU 64 -11.035 9.411 3.282 448 HD13 LEU 64 3HD1 LEU 64 -9.827 8.801 4.412 449 HD21 LEU 64 1HD2 LEU 64 -11.006 11.971 2.736 450 HD22 LEU 64 2HD2 LEU 64 -10.571 12.739 4.264 451 HD23 LEU 64 3HD2 LEU 64 -11.654 11.346 4.252 452 H GLU 65 H GLU 65 -6.719 11.946 6.853 453 HA GLU 65 HA GLU 65 -5.153 13.236 5.048 454 HB2 GLU 65 1HB GLU 65 -4.590 12.654 7.953 455 HB3 GLU 65 2HB GLU 65 -3.602 13.744 6.991 456 HG2 GLU 65 1HG GLU 65 -6.428 14.065 7.900 457 HG3 GLU 65 2HG GLU 65 -5.063 15.167 8.076 458 H ALA 66 H ALA 66 -4.396 10.229 6.714 459 HA ALA 66 HA ALA 66 -1.705 10.012 5.925 460 HB1 ALA 66 1HB ALA 66 -3.312 7.538 6.220 461 HB2 ALA 66 2HB ALA 66 -1.738 7.956 6.897 462 HB3 ALA 66 3HB ALA 66 -3.208 8.617 7.611 463 H THR 67 H THR 67 -4.437 8.110 4.641 464 HA THR 67 HA THR 67 -3.293 6.965 2.477 465 HB THR 67 HB THR 67 -6.022 8.248 2.309 466 HG1 THR 67 1HG THR 67 -6.095 7.081 4.175 467 HG21 THR 67 1HG2 THR 67 -5.171 5.602 1.173 468 HG22 THR 67 2HG2 THR 67 -4.898 7.104 0.292 469 HG23 THR 67 3HG2 THR 67 -6.538 6.616 0.715 470 H ALA 68 H ALA 68 -4.438 10.304 2.674 471 HA ALA 68 HA ALA 68 -4.235 11.097 0.046 472 HB1 ALA 68 1HB ALA 68 -4.208 13.290 0.803 473 HB2 ALA 68 2HB ALA 68 -4.962 12.420 2.141 474 HB3 ALA 68 3HB ALA 68 -3.264 12.888 2.239 475 H TRP 69 H TRP 69 -1.648 11.079 2.490 476 HA TRP 69 HA TRP 69 0.374 12.043 0.773 477 HB2 TRP 69 1HB TRP 69 0.685 12.171 3.155 478 HB3 TRP 69 2HB TRP 69 0.519 10.426 3.323 479 HD1 TRP 69 HD TRP 69 3.033 13.116 2.352 480 HE1 TRP 69 1HE TRP 69 5.369 12.050 2.178 481 HE3 TRP 69 3HE TRP 69 1.713 8.195 2.776 482 HZ2 TRP 69 2HZ TRP 69 6.502 9.465 2.214 483 HZ3 TRP 69 3HZ TRP 69 3.484 6.488 2.696 484 HH2 TRP 69 HH TRP 69 5.828 7.112 2.421 485 H ALA 70 H ALA 70 -0.177 8.727 1.978 486 HA ALA 70 HA ALA 70 1.696 7.322 0.636 487 HB1 ALA 70 1HB ALA 70 0.350 5.411 0.824 488 HB2 ALA 70 2HB ALA 70 -0.162 6.458 2.148 489 HB3 ALA 70 3HB ALA 70 -1.142 6.343 0.686 490 H LEU 71 H LEU 71 -1.510 8.085 -0.732 491 HA LEU 71 HA LEU 71 -1.006 7.049 -3.287 492 HB2 LEU 71 1HB LEU 71 -2.935 9.073 -2.216 493 HB3 LEU 71 2HB LEU 71 -2.847 8.744 -3.946 494 HG LEU 71 HG LEU 71 -3.310 6.537 -1.968 495 HD11 LEU 71 1HD1 LEU 71 -5.577 7.893 -3.352 496 HD12 LEU 71 2HD1 LEU 71 -4.971 8.539 -1.827 497 HD13 LEU 71 3HD1 LEU 71 -5.582 6.887 -1.904 498 HD21 LEU 71 1HD2 LEU 71 -3.630 5.256 -3.770 499 HD22 LEU 71 2HD2 LEU 71 -2.842 6.551 -4.671 500 HD23 LEU 71 3HD2 LEU 71 -4.603 6.484 -4.581 501 H LYS 72 H LYS 72 -0.113 10.051 -1.804 502 HA LYS 72 HA LYS 72 0.467 11.435 -4.249 503 HB2 LYS 72 1HB LYS 72 -0.063 12.422 -1.908 504 HB3 LYS 72 2HB LYS 72 1.642 12.148 -1.578 505 HG2 LYS 72 1HG LYS 72 2.194 13.536 -3.558 506 HG3 LYS 72 2HG LYS 72 0.474 13.893 -3.734 507 HD2 LYS 72 1HD LYS 72 1.947 14.417 -1.169 508 HD3 LYS 72 2HD LYS 72 1.917 15.597 -2.482 509 HE2 LYS 72 1HE LYS 72 -0.524 14.421 -1.155 510 HE3 LYS 72 2HE LYS 72 0.173 15.993 -0.770 511 HZ1 LYS 72 1HZ LYS 72 -0.129 16.447 -3.262 512 HZ2 LYS 72 2HZ LYS 72 -1.497 16.494 -2.268 513 HZ3 LYS 72 3HZ LYS 72 -1.200 15.138 -3.235 514 H VAL 73 H VAL 73 2.686 10.560 -1.600 515 HA VAL 73 HA VAL 73 5.056 10.797 -2.954 516 HB VAL 73 HB VAL 73 4.276 8.903 -0.749 517 HG11 VAL 73 1HG1 VAL 73 6.910 8.835 -0.528 518 HG12 VAL 73 2HG1 VAL 73 6.036 7.678 -1.534 519 HG13 VAL 73 3HG1 VAL 73 6.822 9.074 -2.274 520 HG21 VAL 73 1HG2 VAL 73 4.329 11.052 0.112 521 HG22 VAL 73 2HG2 VAL 73 5.965 10.482 0.435 522 HG23 VAL 73 3HG2 VAL 73 5.658 11.550 -0.934 523 H ALA 74 H ALA 74 2.776 8.133 -3.046 524 HA ALA 74 HA ALA 74 4.483 6.312 -4.420 525 HB1 ALA 74 1HB ALA 74 1.471 6.299 -4.383 526 HB2 ALA 74 2HB ALA 74 2.552 4.935 -4.676 527 HB3 ALA 74 3HB ALA 74 2.474 5.671 -3.074 528 H GLU 75 H GLU 75 2.063 8.675 -5.435 529 HA GLU 75 HA GLU 75 2.264 7.943 -8.214 530 HB2 GLU 75 1HB GLU 75 0.172 8.837 -7.232 531 HB3 GLU 75 2HB GLU 75 0.982 10.371 -6.949 532 HG2 GLU 75 1HG GLU 75 0.799 9.188 -9.693 533 HG3 GLU 75 2HG GLU 75 -0.510 10.153 -9.012 534 H ASN 76 H ASN 76 4.021 9.914 -6.076 535 HA ASN 76 HA ASN 76 5.083 11.595 -8.221 536 HB2 ASN 76 1HB ASN 76 5.124 11.721 -5.233 537 HB3 ASN 76 2HB ASN 76 6.408 12.528 -6.131 538 HD21 ASN 76 1HD2 ASN 76 3.846 13.288 -4.543 539 HD22 ASN 76 2HD2 ASN 76 3.146 14.523 -5.528 540 H GLU 77 H GLU 77 6.417 9.670 -5.526 541 HA GLU 77 HA GLU 77 8.988 9.486 -6.793 542 HB2 GLU 77 1HB GLU 77 7.777 8.546 -4.245 543 HB3 GLU 77 2HB GLU 77 9.183 7.672 -4.837 544 HG2 GLU 77 1HG GLU 77 9.003 10.598 -4.170 545 HG3 GLU 77 2HG GLU 77 9.918 9.356 -3.317 546 H LEU 78 H LEU 78 6.759 6.921 -5.703 547 HA LEU 78 HA LEU 78 7.936 4.920 -7.305 548 HB2 LEU 78 1HB LEU 78 5.099 4.888 -6.319 549 HB3 LEU 78 2HB LEU 78 6.164 3.517 -6.622 550 HG LEU 78 HG LEU 78 6.405 5.505 -4.366 551 HD11 LEU 78 1HD1 LEU 78 6.024 2.609 -3.915 552 HD12 LEU 78 2HD1 LEU 78 4.630 3.517 -4.499 553 HD13 LEU 78 3HD1 LEU 78 5.426 3.992 -2.999 554 HD21 LEU 78 1HD2 LEU 78 8.491 4.821 -4.044 555 HD22 LEU 78 2HD2 LEU 78 8.407 3.963 -5.582 556 HD23 LEU 78 3HD2 LEU 78 7.990 3.131 -4.084 557 H GLY 79 H GLY 79 5.603 7.369 -7.979 558 HA2 GLY 79 1HA GLY 79 4.593 7.989 -9.948 559 HA3 GLY 79 2HA GLY 79 5.662 6.858 -10.765 560 H ILE 80 H ILE 80 3.714 5.579 -8.246 561 HA ILE 80 HA ILE 80 2.317 3.895 -10.112 562 HB ILE 80 HB ILE 80 2.055 4.127 -7.112 563 HG12 ILE 80 1HG1 ILE 80 4.271 3.352 -8.004 564 HG13 ILE 80 2HG1 ILE 80 3.444 2.169 -6.998 565 HG21 ILE 80 1HG2 ILE 80 1.220 1.637 -8.387 566 HG22 ILE 80 2HG2 ILE 80 0.433 2.587 -7.128 567 HG23 ILE 80 3HG2 ILE 80 0.225 3.026 -8.823 568 HD11 ILE 80 1HD1 ILE 80 4.479 1.797 -9.555 569 HD12 ILE 80 2HD1 ILE 80 3.472 0.681 -8.632 570 HD13 ILE 80 3HD1 ILE 80 2.727 1.818 -9.755 571 H THR 81 H THR 81 1.062 5.400 -11.293 572 HA THR 81 HA THR 81 -0.586 7.377 -10.534 573 HB THR 81 HB THR 81 -1.262 5.177 -12.493 574 HG1 THR 81 1HG THR 81 -0.704 7.129 -13.901 575 HG21 THR 81 1HG2 THR 81 -2.704 7.682 -11.749 576 HG22 THR 81 2HG2 THR 81 -3.348 6.100 -12.189 577 HG23 THR 81 3HG2 THR 81 -2.703 7.167 -13.435 578 HA PRO 82 HA PRO 82 -3.291 5.586 -7.496 579 HB2 PRO 82 1HB PRO 82 -4.844 7.785 -7.148 580 HB3 PRO 82 2HB PRO 82 -3.223 7.636 -6.460 581 HG2 PRO 82 1HG PRO 82 -4.106 9.063 -8.939 582 HG3 PRO 82 2HG PRO 82 -2.964 9.593 -7.690 583 HD2 PRO 82 1HD PRO 82 -2.156 8.572 -10.064 584 HD3 PRO 82 2HD PRO 82 -1.235 8.343 -8.564 585 H VAL 83 H VAL 83 -4.565 4.063 -8.437 586 HA VAL 83 HA VAL 83 -6.456 4.702 -10.507 587 HB VAL 83 HB VAL 83 -5.224 2.463 -10.151 588 HG11 VAL 83 1HG1 VAL 83 -5.836 1.056 -8.511 589 HG12 VAL 83 2HG1 VAL 83 -6.461 2.509 -7.728 590 HG13 VAL 83 3HG1 VAL 83 -7.544 1.472 -8.657 591 HG21 VAL 83 1HG2 VAL 83 -7.416 1.231 -10.896 592 HG22 VAL 83 2HG2 VAL 83 -8.070 2.868 -10.938 593 HG23 VAL 83 3HG2 VAL 83 -6.675 2.451 -11.931 594 H VAL 84 H VAL 84 -6.509 4.420 -7.048 595 HA VAL 84 HA VAL 84 -9.433 4.793 -7.073 596 HB VAL 84 HB VAL 84 -7.698 3.532 -4.947 597 HG11 VAL 84 1HG1 VAL 84 -10.664 4.081 -4.901 598 HG12 VAL 84 2HG1 VAL 84 -9.754 3.194 -3.677 599 HG13 VAL 84 3HG1 VAL 84 -9.446 4.911 -3.935 600 HG21 VAL 84 1HG2 VAL 84 -9.442 1.650 -5.429 601 HG22 VAL 84 2HG2 VAL 84 -9.637 2.491 -6.967 602 HG23 VAL 84 3HG2 VAL 84 -8.057 1.865 -6.500 603 H SER 85 H SER 85 -10.332 6.229 -5.501 604 HA SER 85 HA SER 85 -8.626 8.526 -5.018 605 HB2 SER 85 1HB SER 85 -11.585 8.022 -4.830 606 HB3 SER 85 2HB SER 85 -10.872 9.467 -4.112 607 HG SER 85 HG SER 85 -9.841 9.463 -6.435 608 H ALA 86 H ALA 86 -7.680 8.982 -3.146 609 HA ALA 86 HA ALA 86 -7.295 7.424 -1.024 610 HB1 ALA 86 1HB ALA 86 -7.688 9.966 0.143 611 HB2 ALA 86 2HB ALA 86 -6.174 9.223 -0.373 612 HB3 ALA 86 3HB ALA 86 -7.091 10.228 -1.496 613 H GLN 87 H GLN 87 -10.168 9.428 -1.485 614 HA GLN 87 HA GLN 87 -11.344 8.961 1.028 615 HB2 GLN 87 1HB GLN 87 -12.019 10.733 -0.619 616 HB3 GLN 87 2HB GLN 87 -12.796 9.475 -1.571 617 HG2 GLN 87 1HG GLN 87 -14.588 10.197 -0.392 618 HG3 GLN 87 2HG GLN 87 -13.993 8.975 0.729 619 HE21 GLN 87 1HE2 GLN 87 -13.287 9.577 2.703 620 HE22 GLN 87 2HE2 GLN 87 -13.287 11.204 3.282 621 H ALA 88 H ALA 88 -11.956 7.400 -2.118 622 HA ALA 88 HA ALA 88 -13.830 5.534 -1.289 623 HB1 ALA 88 1HB ALA 88 -11.724 5.044 -3.387 624 HB2 ALA 88 2HB ALA 88 -13.323 4.306 -3.275 625 HB3 ALA 88 3HB ALA 88 -13.168 6.024 -3.647 626 H VAL 89 H VAL 89 -10.293 5.311 -1.265 627 HA VAL 89 HA VAL 89 -9.950 2.671 -0.555 628 HB VAL 89 HB VAL 89 -8.367 5.085 0.323 629 HG11 VAL 89 1HG1 VAL 89 -8.077 2.228 1.003 630 HG12 VAL 89 2HG1 VAL 89 -6.604 3.067 0.515 631 HG13 VAL 89 3HG1 VAL 89 -7.550 3.665 1.879 632 HG21 VAL 89 1HG2 VAL 89 -6.891 4.559 -1.456 633 HG22 VAL 89 2HG2 VAL 89 -7.671 3.003 -1.738 634 HG23 VAL 89 3HG2 VAL 89 -8.520 4.499 -2.129 635 H VAL 90 H VAL 90 -10.185 5.423 1.706 636 HA VAL 90 HA VAL 90 -10.318 3.794 4.024 637 HB VAL 90 HB VAL 90 -11.253 6.648 3.691 638 HG11 VAL 90 1HG1 VAL 90 -10.775 4.896 6.071 639 HG12 VAL 90 2HG1 VAL 90 -10.603 6.648 6.193 640 HG13 VAL 90 3HG1 VAL 90 -12.147 5.944 5.715 641 HG21 VAL 90 1HG2 VAL 90 -9.075 6.993 3.236 642 HG22 VAL 90 2HG2 VAL 90 -8.873 6.799 4.977 643 HG23 VAL 90 3HG2 VAL 90 -8.582 5.435 3.899 644 H ALA 91 H ALA 91 -12.820 5.612 2.254 645 HA ALA 91 HA ALA 91 -15.012 4.924 3.802 646 HB1 ALA 91 1HB ALA 91 -15.961 4.987 1.180 647 HB2 ALA 91 2HB ALA 91 -15.887 6.330 2.322 648 HB3 ALA 91 3HB ALA 91 -14.559 6.057 1.193 649 H GLY 92 H GLY 92 -13.070 2.902 1.892 650 HA2 GLY 92 1HA GLY 92 -13.226 0.693 1.289 651 HA3 GLY 92 2HA GLY 92 -14.347 0.542 2.634 652 H SER 93 H SER 93 -15.373 2.814 0.355 653 HA SER 93 HA SER 93 -17.688 1.358 -0.316 654 HB2 SER 93 1HB SER 93 -18.301 3.207 -1.643 655 HB3 SER 93 2HB SER 93 -17.312 3.906 -0.361 656 HG SER 93 HG SER 93 -16.732 3.553 -3.075 657 H ASP 94 H ASP 94 -14.702 2.001 -2.116 658 HA ASP 94 HA ASP 94 -15.558 0.022 -4.121 659 HB2 ASP 94 1HB ASP 94 -13.345 2.046 -4.459 660 HB3 ASP 94 2HB ASP 94 -14.144 1.096 -5.709 661 HA PRO 95 HA PRO 95 -12.293 -2.179 -1.769 662 HB2 PRO 95 1HB PRO 95 -13.373 -4.637 -2.172 663 HB3 PRO 95 2HB PRO 95 -13.893 -3.561 -0.870 664 HG2 PRO 95 1HG PRO 95 -15.155 -4.053 -3.539 665 HG3 PRO 95 2HG PRO 95 -15.924 -3.904 -1.949 666 HD2 PRO 95 1HD PRO 95 -15.874 -1.874 -3.739 667 HD3 PRO 95 2HD PRO 95 -15.841 -1.601 -1.985 668 H LEU 96 H LEU 96 -13.690 -2.759 -4.946 669 HA LEU 96 HA LEU 96 -11.703 -4.529 -5.900 670 HB2 LEU 96 1HB LEU 96 -13.767 -2.787 -7.173 671 HB3 LEU 96 2HB LEU 96 -12.537 -3.553 -8.178 672 HG LEU 96 HG LEU 96 -13.382 -5.718 -6.884 673 HD11 LEU 96 1HD1 LEU 96 -15.629 -3.746 -6.697 674 HD12 LEU 96 2HD1 LEU 96 -15.009 -4.846 -5.468 675 HD13 LEU 96 3HD1 LEU 96 -15.940 -5.478 -6.825 676 HD21 LEU 96 1HD2 LEU 96 -14.064 -4.404 -9.397 677 HD22 LEU 96 2HD2 LEU 96 -15.294 -5.541 -8.847 678 HD23 LEU 96 3HD2 LEU 96 -13.631 -6.083 -9.075 679 H GLY 97 H GLY 97 -12.149 -1.024 -6.391 680 HA2 GLY 97 1HA GLY 97 -9.977 -0.457 -7.964 681 HA3 GLY 97 2HA GLY 97 -10.592 0.637 -6.733 682 H LEU 98 H LEU 98 -9.967 -0.495 -4.398 683 HA LEU 98 HA LEU 98 -7.311 0.126 -3.984 684 HB2 LEU 98 1HB LEU 98 -8.915 -0.014 -2.179 685 HB3 LEU 98 2HB LEU 98 -9.073 -1.753 -2.419 686 HG LEU 98 HG LEU 98 -6.770 -2.071 -1.666 687 HD11 LEU 98 1HD1 LEU 98 -6.014 0.204 -2.465 688 HD12 LEU 98 2HD1 LEU 98 -5.397 -0.315 -0.897 689 HD13 LEU 98 3HD1 LEU 98 -6.714 0.855 -0.983 690 HD21 LEU 98 1HD2 LEU 98 -7.782 -2.336 0.294 691 HD22 LEU 98 2HD2 LEU 98 -8.942 -1.055 -0.064 692 HD23 LEU 98 3HD2 LEU 98 -7.382 -0.656 0.655 693 H ILE 99 H ILE 99 -8.687 -3.164 -4.114 694 HA ILE 99 HA ILE 99 -6.402 -4.651 -3.928 695 HB ILE 99 HB ILE 99 -8.799 -5.178 -5.686 696 HG12 ILE 99 1HG1 ILE 99 -8.107 -6.455 -3.044 697 HG13 ILE 99 2HG1 ILE 99 -9.030 -4.959 -3.137 698 HG21 ILE 99 1HG2 ILE 99 -6.703 -7.152 -4.795 699 HG22 ILE 99 2HG2 ILE 99 -8.090 -7.465 -5.836 700 HG23 ILE 99 3HG2 ILE 99 -6.777 -6.434 -6.404 701 HD11 ILE 99 1HD1 ILE 99 -10.453 -6.938 -2.895 702 HD12 ILE 99 2HD1 ILE 99 -10.761 -6.071 -4.401 703 HD13 ILE 99 3HD1 ILE 99 -9.821 -7.564 -4.418 704 H ALA 100 H ALA 100 -7.802 -3.355 -6.936 705 HA ALA 100 HA ALA 100 -5.777 -4.300 -8.647 706 HB1 ALA 100 1HB ALA 100 -6.630 -2.371 -10.138 707 HB2 ALA 100 2HB ALA 100 -7.735 -3.684 -9.730 708 HB3 ALA 100 3HB ALA 100 -7.842 -2.145 -8.876 709 H TYR 101 H TYR 101 -6.158 -1.248 -6.900 710 HA TYR 101 HA TYR 101 -4.072 0.198 -8.013 711 HB2 TYR 101 1HB TYR 101 -5.684 1.178 -6.455 712 HB3 TYR 101 2HB TYR 101 -5.027 0.208 -5.142 713 HD1 TYR 101 1HD TYR 101 -3.422 2.296 -7.797 714 HD2 TYR 101 2HD TYR 101 -3.948 1.585 -3.636 715 HE1 TYR 101 1HE TYR 101 -1.810 4.084 -7.293 716 HE2 TYR 101 2HE TYR 101 -2.339 3.371 -3.120 717 HH TYR 101 HH TYR 101 -1.211 5.141 -3.990 718 H LEU 102 H LEU 102 -3.967 -1.869 -5.110 719 HA LEU 102 HA LEU 102 -1.267 -1.617 -4.537 720 HB2 LEU 102 1HB LEU 102 -2.941 -4.099 -4.196 721 HB3 LEU 102 2HB LEU 102 -1.462 -3.703 -3.325 722 HG LEU 102 HG LEU 102 -3.847 -1.909 -3.113 723 HD11 LEU 102 1HD1 LEU 102 -3.428 -4.531 -1.704 724 HD12 LEU 102 2HD1 LEU 102 -4.843 -3.987 -2.604 725 HD13 LEU 102 3HD1 LEU 102 -4.445 -3.245 -1.054 726 HD21 LEU 102 1HD2 LEU 102 -2.784 -1.824 -0.735 727 HD22 LEU 102 2HD2 LEU 102 -2.039 -0.936 -2.065 728 HD23 LEU 102 3HD2 LEU 102 -1.367 -2.484 -1.550 729 H SER 103 H SER 103 -2.889 -3.885 -6.720 730 HA SER 103 HA SER 103 -0.920 -5.615 -7.402 731 HB2 SER 103 1HB SER 103 -3.250 -5.480 -8.386 732 HB3 SER 103 2HB SER 103 -2.630 -4.253 -9.490 733 HG SER 103 HG SER 103 -1.405 -5.736 -10.483 734 H HIS 104 H HIS 104 -1.138 -2.238 -8.327 735 HA HIS 104 HA HIS 104 0.886 -2.232 -10.287 736 HB2 HIS 104 1HB HIS 104 -0.072 -0.015 -8.466 737 HB3 HIS 104 2HB HIS 104 0.989 0.219 -9.853 738 HD1 HIS 104 1HD HIS 104 -0.803 1.746 -10.961 739 HD2 HIS 104 2HD HIS 104 -2.033 -2.171 -10.325 740 HE1 HIS 104 1HE HIS 104 -2.899 1.470 -12.324 741 HE2 HIS 104 2HE HIS 104 -3.671 -0.881 -11.856 742 H PHE 105 H PHE 105 0.982 -1.593 -6.798 743 HA PHE 105 HA PHE 105 3.671 -0.887 -6.592 744 HB2 PHE 105 1HB PHE 105 1.747 -2.159 -4.659 745 HB3 PHE 105 2HB PHE 105 3.416 -1.832 -4.204 746 HD1 PHE 105 1HD PHE 105 0.270 -0.261 -5.333 747 HD2 PHE 105 2HD PHE 105 4.115 0.333 -3.608 748 HE1 PHE 105 1HE PHE 105 -0.344 2.055 -4.771 749 HE2 PHE 105 2HE PHE 105 3.508 2.648 -3.043 750 HZ PHE 105 HZ PHE 105 1.276 3.512 -3.624 751 H HIS 106 H HIS 106 2.199 -4.087 -6.030 752 HA HIS 106 HA HIS 106 4.643 -5.453 -5.717 753 HB2 HIS 106 1HB HIS 106 2.358 -6.267 -5.007 754 HB3 HIS 106 2HB HIS 106 2.052 -6.658 -6.697 755 HD1 HIS 106 1HD HIS 106 1.793 -9.149 -5.719 756 HD2 HIS 106 2HD HIS 106 5.622 -7.536 -5.655 757 HE1 HIS 106 1HE HIS 106 3.341 -11.105 -5.403 758 HE2 HIS 106 2HE HIS 106 5.646 -10.095 -5.282 759 H SER 107 H SER 107 2.386 -5.541 -8.482 760 HA SER 107 HA SER 107 3.673 -6.998 -10.304 761 HB2 SER 107 1HB SER 107 1.599 -5.746 -10.781 762 HB3 SER 107 2HB SER 107 2.534 -4.255 -10.901 763 HG SER 107 HG SER 107 2.354 -4.965 -12.957 764 H ALA 108 H ALA 108 4.610 -3.716 -9.394 765 HA ALA 108 HA ALA 108 6.848 -3.710 -11.234 766 HB1 ALA 108 1HB ALA 108 5.422 -1.684 -10.580 767 HB2 ALA 108 2HB ALA 108 6.369 -1.667 -9.091 768 HB3 ALA 108 3HB ALA 108 7.172 -1.473 -10.649 769 H PHE 109 H PHE 109 6.381 -3.691 -7.707 770 HA PHE 109 HA PHE 109 9.219 -4.135 -7.276 771 HB2 PHE 109 1HB PHE 109 6.880 -3.746 -5.410 772 HB3 PHE 109 2HB PHE 109 8.491 -4.157 -4.832 773 HD1 PHE 109 1HD PHE 109 6.811 -1.682 -7.060 774 HD2 PHE 109 2HD PHE 109 9.891 -2.443 -4.223 775 HE1 PHE 109 1HE PHE 109 7.421 0.701 -7.088 776 HE2 PHE 109 2HE PHE 109 10.506 -0.061 -4.246 777 HZ PHE 109 HZ PHE 109 9.270 1.516 -5.679 778 H LYS 110 H LYS 110 7.585 -6.166 -8.636 779 HA LYS 110 HA LYS 110 6.919 -8.326 -7.013 780 HB2 LYS 110 1HB LYS 110 7.678 -7.994 -9.870 781 HB3 LYS 110 2HB LYS 110 7.715 -9.624 -9.211 782 HG2 LYS 110 1HG LYS 110 5.295 -7.969 -8.731 783 HG3 LYS 110 2HG LYS 110 5.553 -8.636 -10.344 784 HD2 LYS 110 1HD LYS 110 5.858 -10.881 -9.252 785 HD3 LYS 110 2HD LYS 110 5.326 -10.140 -7.742 786 HE2 LYS 110 1HE LYS 110 3.168 -9.811 -8.513 787 HE3 LYS 110 2HE LYS 110 3.656 -9.868 -10.206 788 HZ1 LYS 110 1HZ LYS 110 4.188 -12.318 -8.825 789 HZ2 LYS 110 2HZ LYS 110 3.354 -12.057 -10.273 790 HZ3 LYS 110 3HZ LYS 110 2.546 -11.912 -8.794 791 H SER 111 H SER 111 10.035 -7.305 -8.276 792 HA SER 111 HA SER 111 12.159 -8.069 -7.949 793 HB2 SER 111 1HB SER 111 10.813 -8.462 -5.301 794 HB3 SER 111 2HB SER 111 12.470 -9.023 -5.520 795 HG SER 111 HG SER 111 11.821 -6.431 -6.345 796 H GLY 112 H GLY 112 10.901 -9.810 -9.511 797 HA2 GLY 112 1HA GLY 112 11.799 -12.423 -8.474 798 HA3 GLY 112 2HA GLY 112 10.274 -12.266 -9.333 799 HA PRO 113 HA PRO 113 13.892 -13.177 -12.248 800 HB2 PRO 113 1HB PRO 113 13.148 -15.691 -12.950 801 HB3 PRO 113 2HB PRO 113 14.216 -15.352 -11.583 802 HG2 PRO 113 1HG PRO 113 11.279 -15.930 -11.592 803 HG3 PRO 113 2HG PRO 113 12.535 -16.538 -10.499 804 HD2 PRO 113 1HD PRO 113 10.870 -14.512 -9.823 805 HD3 PRO 113 2HD PRO 113 12.541 -14.612 -9.233 806 H SER 114 H SER 114 10.501 -13.081 -12.235 807 HA SER 114 HA SER 114 10.003 -13.664 -14.977 808 HB2 SER 114 1HB SER 114 8.430 -12.363 -12.775 809 HB3 SER 114 2HB SER 114 7.837 -12.306 -14.435 810 HG SER 114 HG SER 114 7.069 -14.129 -13.220 811 H SER 115 H SER 115 10.385 -12.454 -16.704 812 HA SER 115 HA SER 115 11.146 -9.653 -16.322 813 HB2 SER 115 1HB SER 115 11.563 -11.587 -18.604 814 HB3 SER 115 2HB SER 115 11.944 -9.869 -18.724 815 HG SER 115 HG SER 115 13.628 -11.518 -17.983 816 H GLY 116 H GLY 116 9.418 -8.345 -16.370 817 HA2 GLY 116 1HA GLY 116 7.646 -7.177 -17.257 818 HA3 GLY 116 2HA GLY 116 7.992 -7.956 -18.793 Start of MODEL 16 1 H1 GLY 1 H GLY 1 5.944 -32.411 -4.603 2 HA2 GLY 1 1HA GLY 1 3.577 -32.898 -5.819 3 HA3 GLY 1 2HA GLY 1 3.227 -31.461 -4.870 4 H SER 2 H SER 2 2.796 -30.785 -7.214 5 HA SER 2 HA SER 2 5.247 -29.518 -8.236 6 HB2 SER 2 1HB SER 2 4.371 -31.535 -9.603 7 HB3 SER 2 2HB SER 2 3.069 -30.451 -10.092 8 HG SER 2 HG SER 2 4.576 -30.098 -11.598 9 H SER 3 H SER 3 5.083 -27.385 -8.348 10 HA SER 3 HA SER 3 2.745 -26.039 -9.265 11 HB2 SER 3 1HB SER 3 2.138 -26.638 -6.876 12 HB3 SER 3 2HB SER 3 3.435 -25.560 -6.362 13 HG SER 3 HG SER 3 1.705 -24.262 -6.400 14 H GLY 4 H GLY 4 3.011 -23.592 -8.983 15 HA2 GLY 4 1HA GLY 4 5.721 -22.668 -8.570 16 HA3 GLY 4 2HA GLY 4 5.198 -22.641 -10.248 17 H SER 5 H SER 5 4.016 -20.962 -10.959 18 HA SER 5 HA SER 5 3.477 -18.820 -9.059 19 HB2 SER 5 1HB SER 5 3.214 -18.802 -12.075 20 HB3 SER 5 2HB SER 5 3.193 -17.398 -11.009 21 HG SER 5 HG SER 5 5.351 -17.876 -10.452 22 H SER 6 H SER 6 1.542 -18.547 -8.192 23 HA SER 6 HA SER 6 -0.743 -19.995 -9.209 24 HB2 SER 6 1HB SER 6 -0.148 -18.398 -6.753 25 HB3 SER 6 2HB SER 6 -1.833 -18.653 -7.205 26 HG SER 6 HG SER 6 -0.323 -20.306 -5.892 27 H GLY 7 H GLY 7 0.088 -16.579 -8.636 28 HA2 GLY 7 1HA GLY 7 -0.554 -14.702 -9.822 29 HA3 GLY 7 2HA GLY 7 -1.372 -15.756 -10.966 30 H THR 8 H THR 8 -1.673 -14.370 -7.716 31 HA THR 8 HA THR 8 -4.404 -13.652 -8.194 32 HB THR 8 HB THR 8 -4.930 -15.904 -7.658 33 HG1 THR 8 1HG THR 8 -5.258 -14.845 -5.093 34 HG21 THR 8 1HG2 THR 8 -3.968 -17.196 -5.982 35 HG22 THR 8 2HG2 THR 8 -3.427 -15.789 -5.068 36 HG23 THR 8 3HG2 THR 8 -2.601 -16.242 -6.559 37 H GLN 9 H GLN 9 -5.404 -12.899 -5.971 38 HA GLN 9 HA GLN 9 -3.815 -10.787 -5.037 39 HB2 GLN 9 1HB GLN 9 -6.273 -12.038 -3.802 40 HB3 GLN 9 2HB GLN 9 -5.574 -10.505 -3.303 41 HG2 GLN 9 1HG GLN 9 -7.230 -9.787 -4.697 42 HG3 GLN 9 2HG GLN 9 -5.875 -9.885 -5.822 43 HE21 GLN 9 1HE2 GLN 9 -7.805 -9.927 -7.301 44 HE22 GLN 9 2HE2 GLN 9 -8.439 -11.480 -7.714 45 H GLU 10 H GLU 10 -3.749 -14.067 -4.241 46 HA GLU 10 HA GLU 10 -3.084 -14.007 -1.515 47 HB2 GLU 10 1HB GLU 10 -3.671 -16.051 -2.837 48 HB3 GLU 10 2HB GLU 10 -2.079 -15.973 -3.579 49 HG2 GLU 10 1HG GLU 10 -1.715 -17.491 -1.912 50 HG3 GLU 10 2HG GLU 10 -1.240 -15.995 -1.112 51 H GLU 11 H GLU 11 -1.163 -13.500 -4.407 52 HA GLU 11 HA GLU 11 1.349 -13.515 -3.005 53 HB2 GLU 11 1HB GLU 11 0.461 -13.027 -5.805 54 HB3 GLU 11 2HB GLU 11 2.017 -12.371 -5.313 55 HG2 GLU 11 1HG GLU 11 2.505 -14.749 -4.461 56 HG3 GLU 11 2HG GLU 11 1.145 -15.226 -5.477 57 H LEU 12 H LEU 12 -0.977 -11.120 -4.060 58 HA LEU 12 HA LEU 12 0.688 -8.852 -3.605 59 HB2 LEU 12 1HB LEU 12 -1.250 -8.799 -5.103 60 HB3 LEU 12 2HB LEU 12 -2.318 -9.059 -3.725 61 HG LEU 12 HG LEU 12 -1.545 -6.871 -2.805 62 HD11 LEU 12 1HD1 LEU 12 0.587 -6.931 -4.216 63 HD12 LEU 12 2HD1 LEU 12 -0.245 -5.385 -4.049 64 HD13 LEU 12 3HD1 LEU 12 -0.421 -6.325 -5.530 65 HD21 LEU 12 1HD2 LEU 12 -3.292 -5.906 -3.806 66 HD22 LEU 12 2HD2 LEU 12 -3.458 -7.417 -4.700 67 HD23 LEU 12 3HD2 LEU 12 -2.574 -6.065 -5.409 68 H LEU 13 H LEU 13 -2.122 -10.112 -1.798 69 HA LEU 13 HA LEU 13 -2.033 -8.443 0.379 70 HB2 LEU 13 1HB LEU 13 -3.848 -9.934 0.174 71 HB3 LEU 13 2HB LEU 13 -2.787 -11.342 0.148 72 HG LEU 13 HG LEU 13 -2.236 -10.856 2.546 73 HD11 LEU 13 1HD1 LEU 13 -2.819 -8.526 2.656 74 HD12 LEU 13 2HD1 LEU 13 -3.843 -9.427 3.773 75 HD13 LEU 13 3HD1 LEU 13 -4.492 -8.884 2.226 76 HD21 LEU 13 1HD2 LEU 13 -4.166 -11.937 3.385 77 HD22 LEU 13 2HD2 LEU 13 -3.955 -12.516 1.732 78 HD23 LEU 13 3HD2 LEU 13 -5.177 -11.295 2.089 79 H ARG 14 H ARG 14 -0.554 -11.693 0.284 80 HA ARG 14 HA ARG 14 0.831 -11.534 2.677 81 HB2 ARG 14 1HB ARG 14 1.306 -13.066 0.141 82 HB3 ARG 14 2HB ARG 14 2.459 -13.166 1.465 83 HG2 ARG 14 1HG ARG 14 0.470 -13.794 2.928 84 HG3 ARG 14 2HG ARG 14 -0.410 -14.032 1.418 85 HD2 ARG 14 1HD ARG 14 0.384 -16.146 1.717 86 HD3 ARG 14 2HD ARG 14 1.738 -15.460 0.820 87 HE ARG 14 HE ARG 14 2.274 -15.016 3.492 88 HH11 ARG 14 2HH1 ARG 14 1.767 -17.760 1.411 89 HH12 ARG 14 1HH1 ARG 14 2.787 -18.813 2.333 90 HH21 ARG 14 2HH2 ARG 14 3.621 -16.392 4.714 91 HH22 ARG 14 1HH2 ARG 14 3.840 -18.034 4.212 92 H TRP 15 H TRP 15 2.194 -10.979 -0.576 93 HA TRP 15 HA TRP 15 4.704 -10.144 0.096 94 HB2 TRP 15 1HB TRP 15 4.099 -10.396 -2.213 95 HB3 TRP 15 2HB TRP 15 2.895 -9.116 -2.094 96 HD1 TRP 15 HD TRP 15 6.744 -9.530 -1.913 97 HE1 TRP 15 1HE TRP 15 7.817 -7.353 -2.770 98 HE3 TRP 15 3HE TRP 15 2.505 -6.761 -2.622 99 HZ2 TRP 15 2HZ TRP 15 6.977 -4.799 -3.631 100 HZ3 TRP 15 3HZ TRP 15 2.727 -4.460 -3.464 101 HH2 TRP 15 HH TRP 15 4.918 -3.501 -3.958 102 H CYS 16 H CYS 16 1.738 -8.227 0.144 103 HA CYS 16 HA CYS 16 2.979 -5.753 0.748 104 HB2 CYS 16 1HB CYS 16 0.160 -6.765 1.110 105 HB3 CYS 16 2HB CYS 16 0.640 -5.129 1.543 106 HG CYS 16 HG CYS 16 -0.027 -6.426 -1.451 107 H GLN 17 H GLN 17 1.327 -8.146 2.801 108 HA GLN 17 HA GLN 17 1.444 -6.972 5.245 109 HB2 GLN 17 1HB GLN 17 1.975 -9.848 4.505 110 HB3 GLN 17 2HB GLN 17 1.829 -9.306 6.172 111 HG2 GLN 17 1HG GLN 17 -0.439 -8.440 5.621 112 HG3 GLN 17 2HG GLN 17 -0.279 -9.186 4.031 113 HE21 GLN 17 1HE2 GLN 17 -2.364 -9.941 5.490 114 HE22 GLN 17 2HE2 GLN 17 -2.144 -11.532 6.130 115 H GLU 18 H GLU 18 4.115 -8.548 3.554 116 HA GLU 18 HA GLU 18 5.988 -8.398 5.658 117 HB2 GLU 18 1HB GLU 18 6.309 -8.587 2.666 118 HB3 GLU 18 2HB GLU 18 7.681 -8.582 3.766 119 HG2 GLU 18 1HG GLU 18 6.575 -10.557 4.915 120 HG3 GLU 18 2HG GLU 18 5.508 -10.633 3.513 121 H GLN 19 H GLN 19 5.241 -6.208 2.979 122 HA GLN 19 HA GLN 19 7.295 -4.337 3.618 123 HB2 GLN 19 1HB GLN 19 4.781 -3.904 1.996 124 HB3 GLN 19 2HB GLN 19 6.213 -2.883 1.990 125 HG2 GLN 19 1HG GLN 19 5.835 -5.607 0.828 126 HG3 GLN 19 2HG GLN 19 6.442 -4.139 0.064 127 HE21 GLN 19 1HE2 GLN 19 7.326 -7.080 1.124 128 HE22 GLN 19 2HE2 GLN 19 8.996 -6.795 1.465 129 H THR 20 H THR 20 3.745 -4.129 3.918 130 HA THR 20 HA THR 20 3.686 -1.752 5.385 131 HB THR 20 HB THR 20 1.415 -2.451 6.113 132 HG1 THR 20 1HG THR 20 1.801 -4.807 4.586 133 HG21 THR 20 1HG2 THR 20 1.989 -2.987 3.196 134 HG22 THR 20 2HG2 THR 20 1.763 -1.395 3.919 135 HG23 THR 20 3HG2 THR 20 0.428 -2.546 3.886 136 H ALA 21 H ALA 21 4.725 -4.841 6.321 137 HA ALA 21 HA ALA 21 4.025 -4.846 9.054 138 HB1 ALA 21 1HB ALA 21 6.444 -6.221 8.831 139 HB2 ALA 21 2HB ALA 21 4.818 -6.901 8.777 140 HB3 ALA 21 3HB ALA 21 5.632 -6.444 7.281 141 H GLY 22 H GLY 22 5.789 -4.831 10.806 142 HA2 GLY 22 1HA GLY 22 7.530 -3.770 11.909 143 HA3 GLY 22 2HA GLY 22 7.984 -3.009 10.391 144 H TYR 23 H TYR 23 5.989 -1.482 9.646 145 HA TYR 23 HA TYR 23 6.136 0.827 11.054 146 HB2 TYR 23 1HB TYR 23 4.992 0.393 8.806 147 HB3 TYR 23 2HB TYR 23 3.552 0.000 9.738 148 HD1 TYR 23 2HD TYR 23 3.181 1.905 11.713 149 HD2 TYR 23 1HD TYR 23 4.963 2.503 7.896 150 HE1 TYR 23 2HE TYR 23 2.593 4.291 11.819 151 HE2 TYR 23 1HE TYR 23 4.382 4.890 7.992 152 HH TYR 23 HH TYR 23 3.884 6.571 10.279 153 HA PRO 24 HA PRO 24 4.092 -0.012 14.899 154 HB2 PRO 24 1HB PRO 24 4.136 2.534 15.838 155 HB3 PRO 24 2HB PRO 24 5.563 1.493 15.820 156 HG2 PRO 24 1HG PRO 24 4.766 3.647 13.901 157 HG3 PRO 24 2HG PRO 24 6.362 3.297 14.588 158 HD2 PRO 24 1HD PRO 24 5.654 2.532 12.090 159 HD3 PRO 24 2HD PRO 24 6.770 1.588 13.097 160 H GLY 25 H GLY 25 1.990 -0.537 14.368 161 HA2 GLY 25 1HA GLY 25 -0.269 0.150 14.872 162 HA3 GLY 25 2HA GLY 25 0.126 1.743 14.241 163 H VAL 26 H VAL 26 1.101 -1.179 12.603 164 HA VAL 26 HA VAL 26 -1.047 -0.806 10.630 165 HB VAL 26 HB VAL 26 1.895 -1.082 10.014 166 HG11 VAL 26 1HG1 VAL 26 1.330 -2.122 8.134 167 HG12 VAL 26 2HG1 VAL 26 -0.387 -1.970 8.514 168 HG13 VAL 26 3HG1 VAL 26 0.444 -0.677 7.649 169 HG21 VAL 26 1HG2 VAL 26 1.710 1.159 10.168 170 HG22 VAL 26 2HG2 VAL 26 0.990 1.015 8.565 171 HG23 VAL 26 3HG2 VAL 26 -0.044 1.131 9.988 172 H HIS 27 H HIS 27 -2.157 -2.640 10.581 173 HA HIS 27 HA HIS 27 -0.672 -5.178 10.532 174 HB2 HIS 27 1HB HIS 27 -1.678 -4.829 12.773 175 HB3 HIS 27 2HB HIS 27 -3.265 -4.711 12.019 176 HD1 HIS 27 1HD HIS 27 -2.117 -6.942 14.095 177 HD2 HIS 27 2HD HIS 27 -2.869 -7.376 10.032 178 HE1 HIS 27 1HE HIS 27 -2.464 -9.407 13.735 179 HE2 HIS 27 2HE HIS 27 -2.833 -9.655 11.256 180 H VAL 28 H VAL 28 -0.903 -5.190 8.261 181 HA VAL 28 HA VAL 28 -3.512 -5.069 7.051 182 HB VAL 28 HB VAL 28 -0.831 -5.851 5.901 183 HG11 VAL 28 1HG1 VAL 28 -3.523 -5.520 4.598 184 HG12 VAL 28 2HG1 VAL 28 -2.005 -5.460 3.700 185 HG13 VAL 28 3HG1 VAL 28 -2.463 -6.928 4.565 186 HG21 VAL 28 1HG2 VAL 28 -1.218 -3.604 4.708 187 HG22 VAL 28 2HG2 VAL 28 -2.404 -3.299 5.976 188 HG23 VAL 28 3HG2 VAL 28 -0.714 -3.575 6.398 189 H SER 29 H SER 29 -4.912 -6.686 7.052 190 HA SER 29 HA SER 29 -3.882 -9.446 6.981 191 HB2 SER 29 1HB SER 29 -4.947 -8.602 9.201 192 HB3 SER 29 2HB SER 29 -6.476 -8.755 8.335 193 HG SER 29 HG SER 29 -6.358 -10.781 8.854 194 H ASP 30 H ASP 30 -6.126 -7.103 5.804 195 HA ASP 30 HA ASP 30 -6.812 -8.797 3.580 196 HB2 ASP 30 1HB ASP 30 -9.358 -8.169 4.137 197 HB3 ASP 30 2HB ASP 30 -8.611 -9.669 4.679 198 H LEU 31 H LEU 31 -7.504 -7.644 1.805 199 HA LEU 31 HA LEU 31 -7.033 -4.803 1.901 200 HB2 LEU 31 1HB LEU 31 -7.760 -6.699 -0.318 201 HB3 LEU 31 2HB LEU 31 -7.582 -4.963 -0.563 202 HG LEU 31 HG LEU 31 -5.221 -5.161 0.208 203 HD11 LEU 31 1HD1 LEU 31 -4.887 -7.025 1.443 204 HD12 LEU 31 2HD1 LEU 31 -4.471 -7.704 -0.129 205 HD13 LEU 31 3HD1 LEU 31 -6.078 -7.968 0.548 206 HD21 LEU 31 1HD2 LEU 31 -4.443 -6.367 -1.866 207 HD22 LEU 31 2HD2 LEU 31 -5.588 -5.051 -2.130 208 HD23 LEU 31 3HD2 LEU 31 -6.138 -6.727 -2.194 209 H SER 32 H SER 32 -9.259 -5.577 3.449 210 HA SER 32 HA SER 32 -11.539 -4.569 1.889 211 HB2 SER 32 1HB SER 32 -11.481 -6.086 4.508 212 HB3 SER 32 2HB SER 32 -12.944 -5.494 3.720 213 HG SER 32 HG SER 32 -12.201 -6.791 1.862 214 H SER 33 H SER 33 -10.194 -4.332 5.186 215 HA SER 33 HA SER 33 -10.921 -1.482 5.180 216 HB2 SER 33 1HB SER 33 -11.479 -1.744 7.632 217 HB3 SER 33 2HB SER 33 -12.611 -2.519 6.524 218 HG SER 33 HG SER 33 -11.345 -4.481 6.905 219 H SER 34 H SER 34 -8.895 -4.047 6.490 220 HA SER 34 HA SER 34 -7.237 -2.802 8.218 221 HB2 SER 34 1HB SER 34 -6.793 -4.913 6.170 222 HB3 SER 34 2HB SER 34 -5.361 -4.201 6.913 223 HG SER 34 HG SER 34 -7.367 -4.871 8.679 224 H TRP 35 H TRP 35 -7.464 -2.195 4.809 225 HA TRP 35 HA TRP 35 -5.066 -0.529 4.828 226 HB2 TRP 35 1HB TRP 35 -6.940 -1.321 2.589 227 HB3 TRP 35 2HB TRP 35 -5.530 -0.285 2.385 228 HD1 TRP 35 HD TRP 35 -6.340 -3.898 3.540 229 HE1 TRP 35 1HE TRP 35 -4.352 -5.400 2.897 230 HE3 TRP 35 3HE TRP 35 -3.203 -0.328 1.660 231 HZ2 TRP 35 2HZ TRP 35 -1.791 -5.109 1.745 232 HZ3 TRP 35 3HZ TRP 35 -1.002 -1.022 0.807 233 HH2 TRP 35 HH TRP 35 -0.313 -3.364 0.849 234 H ALA 36 H ALA 36 -8.548 -0.285 4.729 235 HA ALA 36 HA ALA 36 -9.073 2.199 3.793 236 HB1 ALA 36 1HB ALA 36 -10.910 2.338 5.436 237 HB2 ALA 36 2HB ALA 36 -10.817 0.764 4.645 238 HB3 ALA 36 3HB ALA 36 -10.217 0.960 6.292 239 H ASP 37 H ASP 37 -8.042 1.502 7.133 240 HA ASP 37 HA ASP 37 -8.014 3.872 8.347 241 HB2 ASP 37 1HB ASP 37 -5.567 3.160 9.134 242 HB3 ASP 37 2HB ASP 37 -7.008 2.302 9.671 243 H GLY 38 H GLY 38 -5.840 2.966 5.731 244 HA2 GLY 38 1HA GLY 38 -5.048 4.608 4.179 245 HA3 GLY 38 2HA GLY 38 -5.113 5.804 5.465 246 H LEU 39 H LEU 39 -3.808 4.054 7.411 247 HA LEU 39 HA LEU 39 -1.150 4.830 7.002 248 HB2 LEU 39 1HB LEU 39 -2.572 3.044 8.893 249 HB3 LEU 39 2HB LEU 39 -0.822 2.872 8.779 250 HG LEU 39 HG LEU 39 -2.204 5.479 9.392 251 HD11 LEU 39 1HD1 LEU 39 -1.507 5.062 11.727 252 HD12 LEU 39 2HD1 LEU 39 -1.057 3.421 11.271 253 HD13 LEU 39 3HD1 LEU 39 -2.740 3.937 11.159 254 HD21 LEU 39 1HD2 LEU 39 -0.074 6.295 9.948 255 HD22 LEU 39 2HD2 LEU 39 0.152 5.428 8.429 256 HD23 LEU 39 3HD2 LEU 39 0.637 4.681 9.952 257 H ALA 40 H ALA 40 -2.674 1.634 6.651 258 HA ALA 40 HA ALA 40 -0.690 -0.041 6.064 259 HB1 ALA 40 1HB ALA 40 -3.279 0.326 4.588 260 HB2 ALA 40 2HB ALA 40 -2.165 -0.987 4.208 261 HB3 ALA 40 3HB ALA 40 -2.869 -0.868 5.820 262 H LEU 41 H LEU 41 -2.124 1.923 3.446 263 HA LEU 41 HA LEU 41 -0.193 1.382 1.525 264 HB2 LEU 41 1HB LEU 41 -2.182 3.542 1.955 265 HB3 LEU 41 2HB LEU 41 -0.921 3.821 0.755 266 HG LEU 41 HG LEU 41 -2.547 1.317 0.628 267 HD11 LEU 41 1HD1 LEU 41 -3.680 3.265 -1.092 268 HD12 LEU 41 2HD1 LEU 41 -3.671 3.921 0.544 269 HD13 LEU 41 3HD1 LEU 41 -4.450 2.372 0.220 270 HD21 LEU 41 1HD2 LEU 41 -0.884 2.982 -1.201 271 HD22 LEU 41 2HD2 LEU 41 -2.193 2.014 -1.880 272 HD23 LEU 41 3HD2 LEU 41 -0.901 1.233 -0.966 273 H CYS 42 H CYS 42 -0.257 3.861 4.030 274 HA CYS 42 HA CYS 42 1.907 5.404 3.192 275 HB2 CYS 42 1HB CYS 42 1.183 4.799 6.064 276 HB3 CYS 42 2HB CYS 42 2.031 6.217 5.460 277 HG CYS 42 HG CYS 42 -1.050 5.697 4.199 278 H ALA 43 H ALA 43 1.868 2.622 5.412 279 HA ALA 43 HA ALA 43 4.630 2.549 5.902 280 HB1 ALA 43 1HB ALA 43 2.435 0.529 6.119 281 HB2 ALA 43 2HB ALA 43 4.113 0.059 6.393 282 HB3 ALA 43 3HB ALA 43 3.372 1.306 7.396 283 H LEU 44 H LEU 44 2.702 0.537 3.670 284 HA LEU 44 HA LEU 44 4.701 -0.915 2.495 285 HB2 LEU 44 1HB LEU 44 2.500 -1.436 1.894 286 HB3 LEU 44 2HB LEU 44 2.155 0.216 1.386 287 HG LEU 44 HG LEU 44 3.765 -0.175 -0.528 288 HD11 LEU 44 1HD1 LEU 44 4.588 -2.334 0.774 289 HD12 LEU 44 2HD1 LEU 44 4.639 -2.221 -0.984 290 HD13 LEU 44 3HD1 LEU 44 3.322 -3.087 -0.195 291 HD21 LEU 44 1HD2 LEU 44 2.021 -0.740 -1.843 292 HD22 LEU 44 2HD2 LEU 44 1.106 -0.534 -0.350 293 HD23 LEU 44 3HD2 LEU 44 1.599 -2.147 -0.867 294 H VAL 45 H VAL 45 3.744 2.403 1.779 295 HA VAL 45 HA VAL 45 5.475 2.707 -0.467 296 HB VAL 45 HB VAL 45 4.202 4.807 1.293 297 HG11 VAL 45 1HG1 VAL 45 4.919 5.476 -1.474 298 HG12 VAL 45 2HG1 VAL 45 5.076 6.428 0.004 299 HG13 VAL 45 3HG1 VAL 45 6.290 5.212 -0.397 300 HG21 VAL 45 1HG2 VAL 45 3.152 4.544 -1.384 301 HG22 VAL 45 2HG2 VAL 45 3.026 3.024 -0.497 302 HG23 VAL 45 3HG2 VAL 45 2.308 4.493 0.164 303 H TYR 46 H TYR 46 5.643 4.006 2.853 304 HA TYR 46 HA TYR 46 8.109 5.215 2.730 305 HB2 TYR 46 1HB TYR 46 6.709 3.807 4.995 306 HB3 TYR 46 2HB TYR 46 8.260 4.606 5.222 307 HD1 TYR 46 1HD TYR 46 8.252 7.095 4.088 308 HD2 TYR 46 2HD TYR 46 4.874 5.028 5.644 309 HE1 TYR 46 1HE TYR 46 7.100 9.242 4.424 310 HE2 TYR 46 2HE TYR 46 3.712 7.170 5.983 311 HH TYR 46 HH TYR 46 3.973 9.416 6.041 312 H ARG 47 H ARG 47 7.443 1.846 3.675 313 HA ARG 47 HA ARG 47 10.069 1.040 4.112 314 HB2 ARG 47 1HB ARG 47 7.524 -0.341 3.444 315 HB3 ARG 47 2HB ARG 47 9.011 -1.253 3.219 316 HG2 ARG 47 1HG ARG 47 8.078 -1.685 5.406 317 HG3 ARG 47 2HG ARG 47 9.614 -0.827 5.557 318 HD2 ARG 47 1HD ARG 47 7.116 0.778 5.451 319 HD3 ARG 47 2HD ARG 47 7.467 -0.112 6.932 320 HE ARG 47 HE ARG 47 8.711 2.277 6.065 321 HH11 ARG 47 2HH1 ARG 47 9.389 -0.752 7.642 322 HH12 ARG 47 1HH1 ARG 47 10.737 -0.133 8.539 323 HH21 ARG 47 2HH2 ARG 47 10.482 3.104 7.241 324 HH22 ARG 47 1HH2 ARG 47 11.357 2.060 8.310 325 H LEU 48 H LEU 48 8.154 0.340 1.180 326 HA LEU 48 HA LEU 48 9.935 -0.743 -0.477 327 HB2 LEU 48 1HB LEU 48 7.887 1.370 -0.988 328 HB3 LEU 48 2HB LEU 48 8.926 0.827 -2.304 329 HG LEU 48 HG LEU 48 7.193 -1.033 -0.688 330 HD11 LEU 48 1HD1 LEU 48 5.603 0.322 -1.699 331 HD12 LEU 48 2HD1 LEU 48 5.811 -0.986 -2.863 332 HD13 LEU 48 3HD1 LEU 48 6.587 0.572 -3.141 333 HD21 LEU 48 1HD2 LEU 48 7.594 -2.069 -3.205 334 HD22 LEU 48 2HD2 LEU 48 8.455 -2.543 -1.741 335 HD23 LEU 48 3HD2 LEU 48 9.150 -1.334 -2.822 336 H GLN 49 H GLN 49 9.925 2.648 0.465 337 HA GLN 49 HA GLN 49 12.629 2.893 -0.653 338 HB2 GLN 49 1HB GLN 49 10.262 4.637 -1.164 339 HB3 GLN 49 2HB GLN 49 11.848 5.390 -1.056 340 HG2 GLN 49 1HG GLN 49 12.660 3.915 -2.833 341 HG3 GLN 49 2HG GLN 49 11.059 3.189 -2.951 342 HE21 GLN 49 1HE2 GLN 49 12.351 6.493 -2.772 343 HE22 GLN 49 2HE2 GLN 49 11.470 7.093 -4.131 344 HA PRO 50 HA PRO 50 12.833 4.105 3.730 345 HB2 PRO 50 1HB PRO 50 15.457 3.462 3.996 346 HB3 PRO 50 2HB PRO 50 14.159 2.268 4.114 347 HG2 PRO 50 1HG PRO 50 15.940 2.904 1.794 348 HG3 PRO 50 2HG PRO 50 15.423 1.323 2.406 349 HD2 PRO 50 1HD PRO 50 14.280 2.495 0.250 350 HD3 PRO 50 2HD PRO 50 13.372 1.447 1.360 351 H GLY 51 H GLY 51 14.112 5.335 0.884 352 HA2 GLY 51 1HA GLY 51 15.870 7.291 2.109 353 HA3 GLY 51 2HA GLY 51 15.490 7.153 0.399 354 H LEU 52 H LEU 52 12.583 7.136 0.939 355 HA LEU 52 HA LEU 52 12.140 9.927 0.736 356 HB2 LEU 52 1HB LEU 52 10.454 7.490 0.824 357 HB3 LEU 52 2HB LEU 52 9.674 9.027 1.192 358 HG LEU 52 HG LEU 52 11.290 8.840 -1.299 359 HD11 LEU 52 1HD1 LEU 52 10.138 7.119 -2.103 360 HD12 LEU 52 2HD1 LEU 52 8.710 8.153 -2.064 361 HD13 LEU 52 3HD1 LEU 52 9.068 7.093 -0.701 362 HD21 LEU 52 1HD2 LEU 52 10.423 10.932 -1.171 363 HD22 LEU 52 2HD2 LEU 52 9.040 10.423 -0.200 364 HD23 LEU 52 3HD2 LEU 52 9.051 10.136 -1.941 365 H LEU 53 H LEU 53 10.792 11.235 2.136 366 HA LEU 53 HA LEU 53 11.659 11.427 4.731 367 HB2 LEU 53 1HB LEU 53 9.889 12.955 5.126 368 HB3 LEU 53 2HB LEU 53 10.380 13.141 3.444 369 HG LEU 53 HG LEU 53 8.082 13.252 3.297 370 HD11 LEU 53 1HD1 LEU 53 7.301 11.176 2.305 371 HD12 LEU 53 2HD1 LEU 53 8.656 10.304 3.025 372 HD13 LEU 53 3HD1 LEU 53 8.952 11.530 1.791 373 HD21 LEU 53 1HD2 LEU 53 7.763 12.642 5.715 374 HD22 LEU 53 2HD2 LEU 53 7.765 10.951 5.214 375 HD23 LEU 53 3HD2 LEU 53 6.518 12.047 4.618 376 H GLU 54 H GLU 54 9.952 11.408 6.658 377 HA GLU 54 HA GLU 54 8.840 8.681 6.732 378 HB2 GLU 54 1HB GLU 54 10.308 10.309 8.761 379 HB3 GLU 54 2HB GLU 54 9.111 9.147 9.317 380 HG2 GLU 54 1HG GLU 54 10.304 7.375 8.087 381 HG3 GLU 54 2HG GLU 54 11.533 8.554 7.632 382 HA PRO 55 HA PRO 55 4.837 10.222 7.646 383 HB2 PRO 55 1HB PRO 55 3.932 8.437 9.480 384 HB3 PRO 55 2HB PRO 55 4.131 8.039 7.768 385 HG2 PRO 55 1HG PRO 55 5.945 7.445 10.074 386 HG3 PRO 55 2HG PRO 55 5.471 6.397 8.724 387 HD2 PRO 55 1HD PRO 55 7.847 7.692 8.798 388 HD3 PRO 55 2HD PRO 55 6.989 7.358 7.281 389 H SER 56 H SER 56 7.305 10.656 9.707 390 HA SER 56 HA SER 56 6.638 11.047 12.239 391 HB2 SER 56 1HB SER 56 7.995 13.001 10.390 392 HB3 SER 56 2HB SER 56 7.821 13.331 12.113 393 HG SER 56 HG SER 56 9.342 11.938 12.518 394 H GLU 57 H GLU 57 5.327 12.939 9.576 395 HA GLU 57 HA GLU 57 3.797 14.644 11.344 396 HB2 GLU 57 1HB GLU 57 3.651 14.392 8.336 397 HB3 GLU 57 2HB GLU 57 2.965 15.684 9.310 398 HG2 GLU 57 1HG GLU 57 5.906 15.096 9.264 399 HG3 GLU 57 2HG GLU 57 5.135 16.179 8.106 400 H LEU 58 H LEU 58 3.136 12.052 9.013 401 HA LEU 58 HA LEU 58 0.394 11.994 9.064 402 HB2 LEU 58 1HB LEU 58 2.502 9.941 8.700 403 HB3 LEU 58 2HB LEU 58 0.856 9.372 8.967 404 HG LEU 58 HG LEU 58 0.130 10.713 7.005 405 HD11 LEU 58 1HD1 LEU 58 2.240 11.214 5.476 406 HD12 LEU 58 2HD1 LEU 58 3.000 11.456 7.049 407 HD13 LEU 58 3HD1 LEU 58 1.586 12.408 6.598 408 HD21 LEU 58 1HD2 LEU 58 2.044 9.172 5.594 409 HD22 LEU 58 2HD2 LEU 58 0.358 8.784 5.934 410 HD23 LEU 58 3HD2 LEU 58 1.620 8.292 7.064 411 H GLN 59 H GLN 59 2.640 10.774 11.477 412 HA GLN 59 HA GLN 59 1.215 9.149 13.064 413 HB2 GLN 59 1HB GLN 59 3.015 11.436 13.814 414 HB3 GLN 59 2HB GLN 59 2.282 10.420 15.048 415 HG2 GLN 59 1HG GLN 59 3.290 8.459 13.716 416 HG3 GLN 59 2HG GLN 59 4.300 9.695 12.968 417 HE21 GLN 59 1HE2 GLN 59 5.098 7.487 14.654 418 HE22 GLN 59 2HE2 GLN 59 5.894 8.175 16.023 419 H GLY 60 H GLY 60 0.703 12.618 12.747 420 HA2 GLY 60 1HA GLY 60 -1.459 12.523 14.720 421 HA3 GLY 60 2HA GLY 60 -0.780 13.973 13.997 422 H LEU 61 H LEU 61 -0.957 13.315 11.299 423 HA LEU 61 HA LEU 61 -3.335 14.245 10.475 424 HB2 LEU 61 1HB LEU 61 -1.637 12.116 9.200 425 HB3 LEU 61 2HB LEU 61 -3.042 12.815 8.397 426 HG LEU 61 HG LEU 61 -0.590 14.341 9.275 427 HD11 LEU 61 1HD1 LEU 61 -1.457 13.742 6.462 428 HD12 LEU 61 2HD1 LEU 61 -0.339 12.706 7.349 429 HD13 LEU 61 3HD1 LEU 61 0.086 14.386 7.025 430 HD21 LEU 61 1HD2 LEU 61 -3.242 15.137 8.290 431 HD22 LEU 61 2HD2 LEU 61 -1.878 15.898 7.472 432 HD23 LEU 61 3HD2 LEU 61 -2.053 16.047 9.221 433 H GLY 62 H GLY 62 -5.305 13.337 9.657 434 HA2 GLY 62 1HA GLY 62 -6.322 11.245 11.362 435 HA3 GLY 62 2HA GLY 62 -7.233 12.153 10.164 436 H ALA 63 H ALA 63 -8.044 9.787 10.028 437 HA ALA 63 HA ALA 63 -6.549 7.770 8.830 438 HB1 ALA 63 1HB ALA 63 -9.338 7.877 7.954 439 HB2 ALA 63 2HB ALA 63 -8.470 6.620 8.835 440 HB3 ALA 63 3HB ALA 63 -9.122 8.012 9.699 441 H LEU 64 H LEU 64 -8.695 10.145 7.259 442 HA LEU 64 HA LEU 64 -8.073 9.346 4.620 443 HB2 LEU 64 1HB LEU 64 -9.968 10.900 5.677 444 HB3 LEU 64 2HB LEU 64 -8.853 12.156 5.144 445 HG LEU 64 HG LEU 64 -9.039 11.414 2.857 446 HD11 LEU 64 1HD1 LEU 64 -9.498 9.296 2.399 447 HD12 LEU 64 2HD1 LEU 64 -11.159 9.571 2.917 448 HD13 LEU 64 3HD1 LEU 64 -9.960 8.994 4.074 449 HD21 LEU 64 1HD2 LEU 64 -10.966 12.716 4.223 450 HD22 LEU 64 2HD2 LEU 64 -11.893 11.359 3.584 451 HD23 LEU 64 3HD2 LEU 64 -11.019 12.425 2.484 452 H GLU 65 H GLU 65 -6.943 12.112 6.562 453 HA GLU 65 HA GLU 65 -5.259 13.331 4.792 454 HB2 GLU 65 1HB GLU 65 -4.934 12.882 7.755 455 HB3 GLU 65 2HB GLU 65 -3.830 13.888 6.827 456 HG2 GLU 65 1HG GLU 65 -6.799 14.336 7.025 457 HG3 GLU 65 2HG GLU 65 -5.585 15.167 7.997 458 H ALA 66 H ALA 66 -4.790 10.289 6.422 459 HA ALA 66 HA ALA 66 -2.004 10.033 5.918 460 HB1 ALA 66 1HB ALA 66 -3.727 7.623 6.172 461 HB2 ALA 66 2HB ALA 66 -2.156 7.974 6.896 462 HB3 ALA 66 3HB ALA 66 -3.613 8.726 7.545 463 H THR 67 H THR 67 -4.634 8.083 4.510 464 HA THR 67 HA THR 67 -3.347 6.907 2.449 465 HB THR 67 HB THR 67 -6.079 8.142 2.086 466 HG1 THR 67 1HG THR 67 -6.175 7.007 3.998 467 HG21 THR 67 1HG2 THR 67 -5.012 5.526 1.035 468 HG22 THR 67 2HG2 THR 67 -4.912 7.037 0.130 469 HG23 THR 67 3HG2 THR 67 -6.486 6.369 0.560 470 H ALA 68 H ALA 68 -4.386 10.259 2.585 471 HA ALA 68 HA ALA 68 -4.134 11.023 -0.056 472 HB1 ALA 68 1HB ALA 68 -3.636 12.491 2.509 473 HB2 ALA 68 2HB ALA 68 -3.413 13.277 0.945 474 HB3 ALA 68 3HB ALA 68 -4.994 12.634 1.392 475 H TRP 69 H TRP 69 -1.586 11.071 2.438 476 HA TRP 69 HA TRP 69 0.496 11.947 0.804 477 HB2 TRP 69 1HB TRP 69 0.729 11.911 3.214 478 HB3 TRP 69 2HB TRP 69 0.571 10.157 3.240 479 HD1 TRP 69 HD TRP 69 3.073 12.928 2.415 480 HE1 TRP 69 1HE TRP 69 5.423 11.891 2.243 481 HE3 TRP 69 3HE TRP 69 1.803 7.984 2.699 482 HZ2 TRP 69 2HZ TRP 69 6.584 9.318 2.228 483 HZ3 TRP 69 3HZ TRP 69 3.593 6.299 2.598 484 HH2 TRP 69 HH TRP 69 5.933 6.954 2.367 485 H ALA 70 H ALA 70 -0.125 8.588 1.844 486 HA ALA 70 HA ALA 70 1.710 7.219 0.416 487 HB1 ALA 70 1HB ALA 70 -1.113 6.226 0.379 488 HB2 ALA 70 2HB ALA 70 0.386 5.327 0.614 489 HB3 ALA 70 3HB ALA 70 -0.230 6.366 1.899 490 H LEU 71 H LEU 71 -1.483 8.148 -0.875 491 HA LEU 71 HA LEU 71 -1.088 7.191 -3.471 492 HB2 LEU 71 1HB LEU 71 -2.819 9.378 -2.358 493 HB3 LEU 71 2HB LEU 71 -2.827 8.964 -4.071 494 HG LEU 71 HG LEU 71 -3.331 6.817 -2.060 495 HD11 LEU 71 1HD1 LEU 71 -4.744 8.840 -1.492 496 HD12 LEU 71 2HD1 LEU 71 -5.614 7.347 -1.840 497 HD13 LEU 71 3HD1 LEU 71 -5.520 8.617 -3.060 498 HD21 LEU 71 1HD2 LEU 71 -4.235 5.690 -3.811 499 HD22 LEU 71 2HD2 LEU 71 -3.128 6.728 -4.711 500 HD23 LEU 71 3HD2 LEU 71 -4.836 7.154 -4.591 501 H LYS 72 H LYS 72 -0.040 10.133 -1.927 502 HA LYS 72 HA LYS 72 0.667 11.483 -4.359 503 HB2 LYS 72 1HB LYS 72 0.130 12.483 -2.011 504 HB3 LYS 72 2HB LYS 72 1.825 12.160 -1.676 505 HG2 LYS 72 1HG LYS 72 2.205 13.458 -3.915 506 HG3 LYS 72 2HG LYS 72 0.602 14.110 -3.563 507 HD2 LYS 72 1HD LYS 72 1.946 15.650 -2.508 508 HD3 LYS 72 2HD LYS 72 1.628 14.524 -1.187 509 HE2 LYS 72 1HE LYS 72 3.931 14.880 -1.079 510 HE3 LYS 72 2HE LYS 72 3.780 13.346 -1.935 511 HZ1 LYS 72 1HZ LYS 72 4.521 14.240 -3.859 512 HZ2 LYS 72 2HZ LYS 72 5.300 15.311 -2.807 513 HZ3 LYS 72 3HZ LYS 72 3.855 15.766 -3.559 514 H VAL 73 H VAL 73 2.768 10.505 -1.651 515 HA VAL 73 HA VAL 73 5.180 10.623 -2.953 516 HB VAL 73 HB VAL 73 4.270 8.784 -0.749 517 HG11 VAL 73 1HG1 VAL 73 6.015 7.497 -1.440 518 HG12 VAL 73 2HG1 VAL 73 6.845 8.844 -2.222 519 HG13 VAL 73 3HG1 VAL 73 6.910 8.665 -0.468 520 HG21 VAL 73 1HG2 VAL 73 5.673 11.408 -0.926 521 HG22 VAL 73 2HG2 VAL 73 4.373 10.897 0.150 522 HG23 VAL 73 3HG2 VAL 73 6.023 10.339 0.432 523 H ALA 74 H ALA 74 2.731 8.150 -3.164 524 HA ALA 74 HA ALA 74 4.411 6.223 -4.475 525 HB1 ALA 74 1HB ALA 74 1.439 6.394 -4.044 526 HB2 ALA 74 2HB ALA 74 2.209 5.077 -4.931 527 HB3 ALA 74 3HB ALA 74 2.602 5.344 -3.232 528 H GLU 75 H GLU 75 2.078 8.669 -5.474 529 HA GLU 75 HA GLU 75 2.201 7.902 -8.251 530 HB2 GLU 75 1HB GLU 75 0.151 8.866 -7.300 531 HB3 GLU 75 2HB GLU 75 1.012 10.356 -6.944 532 HG2 GLU 75 1HG GLU 75 0.867 9.310 -9.740 533 HG3 GLU 75 2HG GLU 75 -0.467 10.230 -9.048 534 H ASN 76 H ASN 76 4.165 9.677 -6.186 535 HA ASN 76 HA ASN 76 5.239 11.332 -8.361 536 HB2 ASN 76 1HB ASN 76 5.289 11.536 -5.379 537 HB3 ASN 76 2HB ASN 76 6.605 12.262 -6.297 538 HD21 ASN 76 1HD2 ASN 76 3.648 12.809 -4.971 539 HD22 ASN 76 2HD2 ASN 76 3.168 14.187 -5.897 540 H GLU 77 H GLU 77 6.578 9.549 -5.572 541 HA GLU 77 HA GLU 77 9.107 9.189 -6.845 542 HB2 GLU 77 1HB GLU 77 7.857 8.351 -4.280 543 HB3 GLU 77 2HB GLU 77 9.235 7.417 -4.847 544 HG2 GLU 77 1HG GLU 77 9.154 10.363 -4.253 545 HG3 GLU 77 2HG GLU 77 10.018 9.113 -3.362 546 H LEU 78 H LEU 78 6.788 6.730 -5.702 547 HA LEU 78 HA LEU 78 7.891 4.629 -7.198 548 HB2 LEU 78 1HB LEU 78 5.006 4.782 -6.387 549 HB3 LEU 78 2HB LEU 78 6.021 3.352 -6.554 550 HG LEU 78 HG LEU 78 6.255 5.439 -4.389 551 HD11 LEU 78 1HD1 LEU 78 5.144 2.641 -4.392 552 HD12 LEU 78 2HD1 LEU 78 4.285 4.139 -4.036 553 HD13 LEU 78 3HD1 LEU 78 5.527 3.552 -2.930 554 HD21 LEU 78 1HD2 LEU 78 8.331 4.089 -5.279 555 HD22 LEU 78 2HD2 LEU 78 7.622 2.796 -4.312 556 HD23 LEU 78 3HD2 LEU 78 8.068 4.323 -3.550 557 H GLY 79 H GLY 79 5.453 7.024 -7.973 558 HA2 GLY 79 1HA GLY 79 4.759 7.701 -10.084 559 HA3 GLY 79 2HA GLY 79 5.696 6.387 -10.780 560 H ILE 80 H ILE 80 3.640 5.411 -8.260 561 HA ILE 80 HA ILE 80 1.985 3.945 -10.123 562 HB ILE 80 HB ILE 80 1.736 4.021 -7.118 563 HG12 ILE 80 1HG1 ILE 80 4.039 3.399 -7.895 564 HG13 ILE 80 2HG1 ILE 80 3.209 2.123 -7.011 565 HG21 ILE 80 1HG2 ILE 80 0.657 1.862 -7.390 566 HG22 ILE 80 2HG2 ILE 80 -0.179 3.091 -8.337 567 HG23 ILE 80 3HG2 ILE 80 0.896 1.944 -9.136 568 HD11 ILE 80 1HD1 ILE 80 2.748 0.935 -9.023 569 HD12 ILE 80 2HD1 ILE 80 3.332 2.276 -10.010 570 HD13 ILE 80 3HD1 ILE 80 4.461 1.355 -9.014 571 H THR 81 H THR 81 0.595 5.317 -11.145 572 HA THR 81 HA THR 81 -0.720 7.518 -10.146 573 HB THR 81 HB THR 81 -1.758 5.536 -12.181 574 HG1 THR 81 1HG THR 81 0.088 6.430 -12.978 575 HG21 THR 81 1HG2 THR 81 -3.452 6.973 -12.728 576 HG22 THR 81 2HG2 THR 81 -2.574 8.396 -12.168 577 HG23 THR 81 3HG2 THR 81 -3.336 7.316 -11.002 578 HA PRO 82 HA PRO 82 -3.532 5.923 -7.137 579 HB2 PRO 82 1HB PRO 82 -5.162 8.088 -6.965 580 HB3 PRO 82 2HB PRO 82 -3.542 8.046 -6.258 581 HG2 PRO 82 1HG PRO 82 -4.450 9.255 -8.842 582 HG3 PRO 82 2HG PRO 82 -3.338 9.913 -7.628 583 HD2 PRO 82 1HD PRO 82 -2.474 8.747 -9.914 584 HD3 PRO 82 2HD PRO 82 -1.560 8.662 -8.394 585 H VAL 83 H VAL 83 -4.535 4.262 -8.323 586 HA VAL 83 HA VAL 83 -6.523 4.744 -10.300 587 HB VAL 83 HB VAL 83 -5.124 2.593 -9.852 588 HG11 VAL 83 1HG1 VAL 83 -6.446 2.566 -7.502 589 HG12 VAL 83 2HG1 VAL 83 -7.497 1.527 -8.466 590 HG13 VAL 83 3HG1 VAL 83 -5.790 1.123 -8.275 591 HG21 VAL 83 1HG2 VAL 83 -7.604 3.113 -11.156 592 HG22 VAL 83 2HG2 VAL 83 -6.343 1.959 -11.596 593 HG23 VAL 83 3HG2 VAL 83 -7.639 1.474 -10.502 594 H VAL 84 H VAL 84 -6.558 4.517 -6.837 595 HA VAL 84 HA VAL 84 -9.501 4.704 -6.871 596 HB VAL 84 HB VAL 84 -7.710 3.551 -4.729 597 HG11 VAL 84 1HG1 VAL 84 -9.664 4.874 -3.870 598 HG12 VAL 84 2HG1 VAL 84 -10.717 3.722 -4.693 599 HG13 VAL 84 3HG1 VAL 84 -9.648 3.174 -3.401 600 HG21 VAL 84 1HG2 VAL 84 -7.932 1.877 -6.307 601 HG22 VAL 84 2HG2 VAL 84 -9.292 1.545 -5.232 602 HG23 VAL 84 3HG2 VAL 84 -9.560 2.378 -6.764 603 H SER 85 H SER 85 -10.495 6.204 -5.514 604 HA SER 85 HA SER 85 -8.892 8.532 -4.928 605 HB2 SER 85 1HB SER 85 -11.848 8.056 -4.473 606 HB3 SER 85 2HB SER 85 -11.024 9.613 -4.400 607 HG SER 85 HG SER 85 -10.459 9.260 -6.634 608 H ALA 86 H ALA 86 -8.049 9.052 -3.022 609 HA ALA 86 HA ALA 86 -7.694 7.517 -0.871 610 HB1 ALA 86 1HB ALA 86 -7.166 10.113 -1.394 611 HB2 ALA 86 2HB ALA 86 -8.347 10.280 -0.094 612 HB3 ALA 86 3HB ALA 86 -6.876 9.341 0.165 613 H GLN 87 H GLN 87 -10.632 9.323 -1.553 614 HA GLN 87 HA GLN 87 -11.891 8.920 0.942 615 HB2 GLN 87 1HB GLN 87 -12.526 10.562 -0.924 616 HB3 GLN 87 2HB GLN 87 -13.349 9.202 -1.678 617 HG2 GLN 87 1HG GLN 87 -14.842 8.983 0.160 618 HG3 GLN 87 2HG GLN 87 -13.919 10.138 1.120 619 HE21 GLN 87 1HE2 GLN 87 -16.438 9.705 -1.094 620 HE22 GLN 87 2HE2 GLN 87 -16.800 11.370 -1.380 621 H ALA 88 H ALA 88 -12.244 7.203 -2.159 622 HA ALA 88 HA ALA 88 -14.075 5.279 -1.318 623 HB1 ALA 88 1HB ALA 88 -13.325 5.771 -3.679 624 HB2 ALA 88 2HB ALA 88 -11.910 4.772 -3.345 625 HB3 ALA 88 3HB ALA 88 -13.526 4.067 -3.273 626 H VAL 89 H VAL 89 -10.535 5.254 -1.207 627 HA VAL 89 HA VAL 89 -10.102 2.641 -0.396 628 HB VAL 89 HB VAL 89 -8.590 5.149 0.330 629 HG11 VAL 89 1HG1 VAL 89 -7.986 2.271 0.934 630 HG12 VAL 89 2HG1 VAL 89 -6.718 3.493 0.831 631 HG13 VAL 89 3HG1 VAL 89 -7.999 3.648 2.034 632 HG21 VAL 89 1HG2 VAL 89 -8.381 4.826 -1.967 633 HG22 VAL 89 2HG2 VAL 89 -6.948 4.031 -1.315 634 HG23 VAL 89 3HG2 VAL 89 -8.340 3.069 -1.814 635 H VAL 90 H VAL 90 -10.321 5.491 1.746 636 HA VAL 90 HA VAL 90 -10.345 4.072 4.155 637 HB VAL 90 HB VAL 90 -11.545 6.768 3.509 638 HG11 VAL 90 1HG1 VAL 90 -10.816 6.550 6.239 639 HG12 VAL 90 2HG1 VAL 90 -12.418 6.815 5.549 640 HG13 VAL 90 3HG1 VAL 90 -11.844 5.172 5.845 641 HG21 VAL 90 1HG2 VAL 90 -9.327 7.161 3.228 642 HG22 VAL 90 2HG2 VAL 90 -9.385 7.309 4.985 643 HG23 VAL 90 3HG2 VAL 90 -8.844 5.803 4.245 644 H ALA 91 H ALA 91 -13.158 5.698 2.676 645 HA ALA 91 HA ALA 91 -15.144 4.641 4.230 646 HB1 ALA 91 1HB ALA 91 -16.296 4.690 1.712 647 HB2 ALA 91 2HB ALA 91 -16.221 6.026 2.861 648 HB3 ALA 91 3HB ALA 91 -14.987 5.868 1.610 649 H GLY 92 H GLY 92 -13.177 2.977 1.964 650 HA2 GLY 92 1HA GLY 92 -13.108 0.784 1.292 651 HA3 GLY 92 2HA GLY 92 -14.052 0.434 2.732 652 H SER 93 H SER 93 -15.341 2.613 0.374 653 HA SER 93 HA SER 93 -17.641 0.981 -0.017 654 HB2 SER 93 1HB SER 93 -18.553 2.793 -1.114 655 HB3 SER 93 2HB SER 93 -17.301 3.608 -0.176 656 HG SER 93 HG SER 93 -17.348 2.980 -2.918 657 H ASP 94 H ASP 94 -14.820 1.773 -1.995 658 HA ASP 94 HA ASP 94 -15.708 -0.213 -3.977 659 HB2 ASP 94 1HB ASP 94 -13.643 1.975 -4.300 660 HB3 ASP 94 2HB ASP 94 -14.217 0.890 -5.563 661 HA PRO 95 HA PRO 95 -12.320 -2.396 -1.800 662 HB2 PRO 95 1HB PRO 95 -13.353 -4.867 -2.243 663 HB3 PRO 95 2HB PRO 95 -13.862 -3.841 -0.897 664 HG2 PRO 95 1HG PRO 95 -15.186 -4.288 -3.544 665 HG3 PRO 95 2HG PRO 95 -15.914 -4.203 -1.929 666 HD2 PRO 95 1HD PRO 95 -15.961 -2.122 -3.661 667 HD3 PRO 95 2HD PRO 95 -15.886 -1.898 -1.901 668 H LEU 96 H LEU 96 -13.758 -2.825 -4.967 669 HA LEU 96 HA LEU 96 -11.826 -4.577 -6.046 670 HB2 LEU 96 1HB LEU 96 -13.763 -2.634 -7.265 671 HB3 LEU 96 2HB LEU 96 -12.640 -3.564 -8.257 672 HG LEU 96 HG LEU 96 -13.745 -5.579 -6.907 673 HD11 LEU 96 1HD1 LEU 96 -15.722 -3.336 -6.780 674 HD12 LEU 96 2HD1 LEU 96 -15.264 -4.491 -5.530 675 HD13 LEU 96 3HD1 LEU 96 -16.257 -5.012 -6.891 676 HD21 LEU 96 1HD2 LEU 96 -14.083 -6.013 -9.064 677 HD22 LEU 96 2HD2 LEU 96 -14.176 -4.299 -9.468 678 HD23 LEU 96 3HD2 LEU 96 -15.614 -5.152 -8.907 679 H GLY 97 H GLY 97 -12.136 -1.033 -6.178 680 HA2 GLY 97 1HA GLY 97 -9.966 -0.429 -7.775 681 HA3 GLY 97 2HA GLY 97 -10.543 0.597 -6.470 682 H LEU 98 H LEU 98 -9.882 -0.390 -4.209 683 HA LEU 98 HA LEU 98 -7.251 0.028 -3.761 684 HB2 LEU 98 1HB LEU 98 -8.784 -0.224 -1.942 685 HB3 LEU 98 2HB LEU 98 -9.073 -1.912 -2.354 686 HG LEU 98 HG LEU 98 -6.766 -2.452 -1.699 687 HD11 LEU 98 1HD1 LEU 98 -6.578 0.363 -0.654 688 HD12 LEU 98 2HD1 LEU 98 -5.889 -0.142 -2.196 689 HD13 LEU 98 3HD1 LEU 98 -5.318 -0.872 -0.695 690 HD21 LEU 98 1HD2 LEU 98 -8.644 -2.586 -0.087 691 HD22 LEU 98 2HD2 LEU 98 -8.250 -0.956 0.459 692 HD23 LEU 98 3HD2 LEU 98 -7.087 -2.266 0.679 693 H ILE 99 H ILE 99 -8.650 -3.228 -4.182 694 HA ILE 99 HA ILE 99 -6.382 -4.748 -4.104 695 HB ILE 99 HB ILE 99 -8.726 -5.109 -5.972 696 HG12 ILE 99 1HG1 ILE 99 -8.203 -6.542 -3.374 697 HG13 ILE 99 2HG1 ILE 99 -9.086 -5.021 -3.428 698 HG21 ILE 99 1HG2 ILE 99 -7.961 -7.565 -5.770 699 HG22 ILE 99 2HG2 ILE 99 -7.100 -6.497 -6.875 700 HG23 ILE 99 3HG2 ILE 99 -6.407 -6.877 -5.299 701 HD11 ILE 99 1HD1 ILE 99 -9.854 -7.623 -4.719 702 HD12 ILE 99 2HD1 ILE 99 -10.664 -6.798 -3.386 703 HD13 ILE 99 3HD1 ILE 99 -10.687 -6.095 -5.003 704 H ALA 100 H ALA 100 -7.695 -3.076 -6.952 705 HA ALA 100 HA ALA 100 -5.660 -3.914 -8.732 706 HB1 ALA 100 1HB ALA 100 -6.491 -1.797 -10.013 707 HB2 ALA 100 2HB ALA 100 -7.549 -3.198 -9.834 708 HB3 ALA 100 3HB ALA 100 -7.759 -1.794 -8.787 709 H TYR 101 H TYR 101 -6.094 -0.974 -6.797 710 HA TYR 101 HA TYR 101 -3.964 0.523 -7.722 711 HB2 TYR 101 1HB TYR 101 -5.662 1.337 -6.115 712 HB3 TYR 101 2HB TYR 101 -4.929 0.344 -4.860 713 HD1 TYR 101 1HD TYR 101 -3.224 2.404 -7.444 714 HD2 TYR 101 2HD TYR 101 -4.149 1.924 -3.319 715 HE1 TYR 101 1HE TYR 101 -1.689 4.245 -6.892 716 HE2 TYR 101 2HE TYR 101 -2.618 3.764 -2.755 717 HH TYR 101 HH TYR 101 -0.434 4.793 -4.021 718 H LEU 102 H LEU 102 -3.967 -1.827 -5.048 719 HA LEU 102 HA LEU 102 -1.240 -1.605 -4.419 720 HB2 LEU 102 1HB LEU 102 -3.133 -3.924 -4.075 721 HB3 LEU 102 2HB LEU 102 -1.529 -3.830 -3.353 722 HG LEU 102 HG LEU 102 -3.863 -2.014 -2.750 723 HD11 LEU 102 1HD1 LEU 102 -4.456 -3.530 -1.250 724 HD12 LEU 102 2HD1 LEU 102 -2.878 -3.375 -0.478 725 HD13 LEU 102 3HD1 LEU 102 -3.125 -4.574 -1.747 726 HD21 LEU 102 1HD2 LEU 102 -2.381 -1.159 -0.951 727 HD22 LEU 102 2HD2 LEU 102 -1.817 -0.768 -2.577 728 HD23 LEU 102 3HD2 LEU 102 -1.051 -2.071 -1.666 729 H SER 103 H SER 103 -2.955 -3.869 -6.551 730 HA SER 103 HA SER 103 -1.041 -5.616 -7.295 731 HB2 SER 103 1HB SER 103 -3.402 -5.375 -8.235 732 HB3 SER 103 2HB SER 103 -2.719 -4.223 -9.382 733 HG SER 103 HG SER 103 -1.877 -6.913 -9.041 734 H HIS 104 H HIS 104 -1.220 -2.238 -8.247 735 HA HIS 104 HA HIS 104 0.778 -2.276 -10.227 736 HB2 HIS 104 1HB HIS 104 0.092 0.032 -8.399 737 HB3 HIS 104 2HB HIS 104 0.842 0.127 -9.990 738 HD1 HIS 104 1HD HIS 104 -1.252 1.770 -10.454 739 HD2 HIS 104 2HD HIS 104 -2.125 -2.267 -10.003 740 HE1 HIS 104 1HE HIS 104 -3.556 1.469 -11.416 741 HE2 HIS 104 2HE HIS 104 -4.097 -0.965 -11.055 742 H PHE 105 H PHE 105 0.953 -1.525 -6.756 743 HA PHE 105 HA PHE 105 3.629 -0.874 -6.566 744 HB2 PHE 105 1HB PHE 105 1.728 -2.189 -4.644 745 HB3 PHE 105 2HB PHE 105 3.410 -1.917 -4.199 746 HD1 PHE 105 1HD PHE 105 0.485 -0.083 -5.605 747 HD2 PHE 105 2HD PHE 105 3.969 0.057 -3.163 748 HE1 PHE 105 1HE PHE 105 -0.067 2.225 -4.954 749 HE2 PHE 105 2HE PHE 105 3.421 2.365 -2.509 750 HZ PHE 105 HZ PHE 105 1.401 3.451 -3.403 751 H HIS 106 H HIS 106 2.201 -4.102 -6.048 752 HA HIS 106 HA HIS 106 4.622 -5.479 -5.763 753 HB2 HIS 106 1HB HIS 106 2.334 -6.351 -5.189 754 HB3 HIS 106 2HB HIS 106 2.064 -6.610 -6.910 755 HD1 HIS 106 1HD HIS 106 1.958 -9.134 -6.854 756 HD2 HIS 106 2HD HIS 106 5.422 -7.617 -5.134 757 HE1 HIS 106 1HE HIS 106 3.446 -11.126 -6.470 758 HE2 HIS 106 2HE HIS 106 5.501 -10.194 -5.351 759 H SER 107 H SER 107 2.483 -5.522 -8.621 760 HA SER 107 HA SER 107 3.974 -6.832 -10.426 761 HB2 SER 107 1HB SER 107 1.769 -5.735 -10.878 762 HB3 SER 107 2HB SER 107 2.620 -4.203 -11.071 763 HG SER 107 HG SER 107 2.153 -5.607 -13.015 764 H ALA 108 H ALA 108 4.649 -3.635 -9.187 765 HA ALA 108 HA ALA 108 6.845 -3.228 -11.052 766 HB1 ALA 108 1HB ALA 108 5.168 -1.452 -10.037 767 HB2 ALA 108 2HB ALA 108 6.386 -1.391 -8.764 768 HB3 ALA 108 3HB ALA 108 6.836 -1.034 -10.431 769 H PHE 109 H PHE 109 6.315 -3.945 -7.645 770 HA PHE 109 HA PHE 109 9.224 -4.233 -7.295 771 HB2 PHE 109 1HB PHE 109 7.031 -3.657 -5.304 772 HB3 PHE 109 2HB PHE 109 8.656 -4.129 -4.820 773 HD1 PHE 109 2HD PHE 109 10.593 -2.672 -5.517 774 HD2 PHE 109 1HD PHE 109 6.533 -1.443 -5.859 775 HE1 PHE 109 2HE PHE 109 11.319 -0.326 -5.662 776 HE2 PHE 109 1HE PHE 109 7.252 0.906 -6.005 777 HZ PHE 109 HZ PHE 109 9.648 1.467 -5.906 778 H LYS 110 H LYS 110 7.774 -6.248 -8.589 779 HA LYS 110 HA LYS 110 7.730 -8.381 -6.556 780 HB2 LYS 110 1HB LYS 110 6.121 -9.558 -7.857 781 HB3 LYS 110 2HB LYS 110 5.559 -7.895 -7.745 782 HG2 LYS 110 1HG LYS 110 6.000 -7.453 -9.963 783 HG3 LYS 110 2HG LYS 110 7.188 -8.753 -10.094 784 HD2 LYS 110 1HD LYS 110 5.482 -10.417 -10.094 785 HD3 LYS 110 2HD LYS 110 4.245 -9.234 -9.662 786 HE2 LYS 110 1HE LYS 110 3.907 -9.500 -11.935 787 HE3 LYS 110 2HE LYS 110 4.939 -8.071 -11.871 788 HZ1 LYS 110 1HZ LYS 110 5.405 -10.407 -13.267 789 HZ2 LYS 110 2HZ LYS 110 6.512 -10.421 -11.989 790 HZ3 LYS 110 3HZ LYS 110 6.473 -9.112 -13.058 791 H SER 111 H SER 111 9.246 -7.187 -9.363 792 HA SER 111 HA SER 111 10.597 -9.770 -9.798 793 HB2 SER 111 1HB SER 111 9.532 -9.167 -11.829 794 HB3 SER 111 2HB SER 111 10.027 -7.480 -11.678 795 HG SER 111 HG SER 111 12.044 -9.398 -11.773 796 H GLY 112 H GLY 112 12.803 -9.880 -9.744 797 HA2 GLY 112 1HA GLY 112 14.289 -7.379 -9.303 798 HA3 GLY 112 2HA GLY 112 14.439 -8.685 -8.138 799 HA PRO 113 HA PRO 113 17.859 -9.218 -11.175 800 HB2 PRO 113 1HB PRO 113 19.690 -9.952 -9.311 801 HB3 PRO 113 2HB PRO 113 19.345 -8.264 -9.705 802 HG2 PRO 113 1HG PRO 113 18.345 -9.917 -7.418 803 HG3 PRO 113 2HG PRO 113 18.922 -8.240 -7.418 804 HD2 PRO 113 1HD PRO 113 16.290 -8.876 -7.404 805 HD3 PRO 113 2HD PRO 113 16.916 -7.418 -8.202 806 H SER 114 H SER 114 17.869 -11.079 -12.254 807 HA SER 114 HA SER 114 17.980 -13.598 -10.761 808 HB2 SER 114 1HB SER 114 16.345 -14.585 -12.412 809 HB3 SER 114 2HB SER 114 15.648 -13.415 -11.294 810 HG SER 114 HG SER 114 16.620 -12.447 -13.717 811 H SER 115 H SER 115 18.576 -15.451 -12.190 812 HA SER 115 HA SER 115 19.946 -14.754 -14.655 813 HB2 SER 115 1HB SER 115 21.644 -14.320 -12.922 814 HB3 SER 115 2HB SER 115 21.440 -15.962 -12.313 815 HG SER 115 HG SER 115 22.255 -16.753 -14.237 816 H GLY 116 H GLY 116 20.454 -16.560 -15.964 817 HA2 GLY 116 1HA GLY 116 18.703 -18.814 -15.509 818 HA3 GLY 116 2HA GLY 116 19.691 -18.528 -16.933 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.938 -24.786 -2.198 2 HA2 GLY 1 1HA GLY 1 9.768 -22.450 -2.340 3 HA3 GLY 1 2HA GLY 1 11.376 -22.397 -3.045 4 H SER 2 H SER 2 7.974 -22.831 -3.669 5 HA SER 2 HA SER 2 8.503 -22.354 -6.522 6 HB2 SER 2 1HB SER 2 7.855 -24.789 -5.888 7 HB3 SER 2 2HB SER 2 6.239 -24.130 -5.646 8 HG SER 2 HG SER 2 6.863 -23.173 -7.914 9 H SER 3 H SER 3 7.870 -20.265 -6.615 10 HA SER 3 HA SER 3 5.272 -19.531 -5.467 11 HB2 SER 3 1HB SER 3 5.984 -17.258 -5.547 12 HB3 SER 3 2HB SER 3 7.361 -18.180 -4.942 13 HG SER 3 HG SER 3 7.122 -16.710 -7.222 14 H GLY 4 H GLY 4 3.690 -18.468 -6.703 15 HA2 GLY 4 1HA GLY 4 4.082 -18.126 -9.552 16 HA3 GLY 4 2HA GLY 4 2.993 -19.435 -9.118 17 H SER 5 H SER 5 3.285 -16.114 -9.674 18 HA SER 5 HA SER 5 0.832 -15.435 -8.252 19 HB2 SER 5 1HB SER 5 2.761 -13.873 -8.194 20 HB3 SER 5 2HB SER 5 2.627 -13.674 -9.942 21 HG SER 5 HG SER 5 0.354 -13.037 -9.409 22 H SER 6 H SER 6 -0.731 -16.558 -9.414 23 HA SER 6 HA SER 6 -1.009 -15.971 -12.264 24 HB2 SER 6 1HB SER 6 -2.849 -17.695 -12.139 25 HB3 SER 6 2HB SER 6 -1.242 -18.299 -11.732 26 HG SER 6 HG SER 6 -3.240 -17.504 -9.876 27 H GLY 7 H GLY 7 -1.568 -13.718 -11.829 28 HA2 GLY 7 1HA GLY 7 -3.034 -11.994 -11.314 29 HA3 GLY 7 2HA GLY 7 -4.121 -13.004 -12.255 30 H THR 8 H THR 8 -2.745 -13.260 -8.977 31 HA THR 8 HA THR 8 -5.500 -13.405 -7.941 32 HB THR 8 HB THR 8 -3.142 -15.090 -7.077 33 HG1 THR 8 1HG THR 8 -5.062 -15.470 -8.884 34 HG21 THR 8 1HG2 THR 8 -5.708 -14.432 -5.751 35 HG22 THR 8 2HG2 THR 8 -4.152 -14.881 -5.051 36 HG23 THR 8 3HG2 THR 8 -5.210 -16.124 -5.719 37 H GLN 9 H GLN 9 -5.933 -12.228 -6.152 38 HA GLN 9 HA GLN 9 -4.072 -10.228 -5.347 39 HB2 GLN 9 1HB GLN 9 -5.819 -9.574 -3.727 40 HB3 GLN 9 2HB GLN 9 -6.450 -9.754 -5.358 41 HG2 GLN 9 1HG GLN 9 -7.180 -12.073 -4.686 42 HG3 GLN 9 2HG GLN 9 -6.789 -11.616 -3.029 43 HE21 GLN 9 1HE2 GLN 9 -9.133 -11.609 -5.429 44 HE22 GLN 9 2HE2 GLN 9 -10.271 -10.551 -4.674 45 H GLU 10 H GLU 10 -5.115 -13.300 -4.015 46 HA GLU 10 HA GLU 10 -4.290 -13.164 -1.413 47 HB2 GLU 10 1HB GLU 10 -5.331 -15.140 -2.601 48 HB3 GLU 10 2HB GLU 10 -3.725 -15.535 -3.195 49 HG2 GLU 10 1HG GLU 10 -2.920 -15.907 -0.979 50 HG3 GLU 10 2HG GLU 10 -4.420 -15.299 -0.279 51 H GLU 11 H GLU 11 -2.256 -13.876 -4.238 52 HA GLU 11 HA GLU 11 0.148 -14.223 -2.806 53 HB2 GLU 11 1HB GLU 11 -0.083 -15.029 -5.082 54 HB3 GLU 11 2HB GLU 11 -0.324 -13.391 -5.672 55 HG2 GLU 11 1HG GLU 11 1.898 -14.001 -6.194 56 HG3 GLU 11 2HG GLU 11 1.977 -12.849 -4.861 57 H LEU 12 H LEU 12 -1.479 -11.390 -4.066 58 HA LEU 12 HA LEU 12 0.698 -9.591 -3.800 59 HB2 LEU 12 1HB LEU 12 -0.992 -8.862 -5.217 60 HB3 LEU 12 2HB LEU 12 -2.265 -9.290 -4.076 61 HG LEU 12 HG LEU 12 -1.272 -7.371 -2.636 62 HD11 LEU 12 1HD1 LEU 12 -0.312 -5.562 -4.029 63 HD12 LEU 12 2HD1 LEU 12 -0.190 -6.703 -5.368 64 HD13 LEU 12 3HD1 LEU 12 0.737 -6.974 -3.892 65 HD21 LEU 12 1HD2 LEU 12 -3.306 -6.681 -3.233 66 HD22 LEU 12 2HD2 LEU 12 -3.177 -7.421 -4.828 67 HD23 LEU 12 3HD2 LEU 12 -2.512 -5.812 -4.546 68 H LEU 13 H LEU 13 -1.979 -10.500 -1.675 69 HA LEU 13 HA LEU 13 -1.550 -8.618 0.348 70 HB2 LEU 13 1HB LEU 13 -3.551 -9.743 0.534 71 HB3 LEU 13 2HB LEU 13 -2.816 -11.314 0.224 72 HG LEU 13 HG LEU 13 -1.732 -11.030 2.543 73 HD11 LEU 13 1HD1 LEU 13 -2.074 -8.925 3.305 74 HD12 LEU 13 2HD1 LEU 13 -3.542 -9.665 3.942 75 HD13 LEU 13 3HD1 LEU 13 -3.601 -8.738 2.442 76 HD21 LEU 13 1HD2 LEU 13 -3.218 -12.702 2.694 77 HD22 LEU 13 2HD2 LEU 13 -4.442 -11.831 1.768 78 HD23 LEU 13 3HD2 LEU 13 -4.241 -11.504 3.490 79 H ARG 14 H ARG 14 -0.251 -11.900 -0.040 80 HA ARG 14 HA ARG 14 1.162 -12.088 2.341 81 HB2 ARG 14 1HB ARG 14 2.038 -13.195 -0.332 82 HB3 ARG 14 2HB ARG 14 2.508 -13.786 1.255 83 HG2 ARG 14 1HG ARG 14 -0.350 -13.757 0.336 84 HG3 ARG 14 2HG ARG 14 0.742 -15.107 0.015 85 HD2 ARG 14 1HD ARG 14 0.194 -14.013 2.768 86 HD3 ARG 14 2HD ARG 14 -0.696 -15.358 2.056 87 HE ARG 14 HE ARG 14 1.820 -16.212 1.823 88 HH11 ARG 14 2HH1 ARG 14 0.130 -14.777 4.507 89 HH12 ARG 14 1HH1 ARG 14 1.059 -15.613 5.707 90 HH21 ARG 14 2HH2 ARG 14 3.050 -17.317 3.393 91 HH22 ARG 14 1HH2 ARG 14 2.719 -17.057 5.073 92 H TRP 15 H TRP 15 2.220 -10.775 -0.784 93 HA TRP 15 HA TRP 15 4.848 -10.146 0.017 94 HB2 TRP 15 1HB TRP 15 4.388 -10.242 -2.318 95 HB3 TRP 15 2HB TRP 15 3.082 -9.067 -2.179 96 HD1 TRP 15 HD TRP 15 6.940 -9.193 -1.816 97 HE1 TRP 15 1HE TRP 15 7.874 -6.893 -2.496 98 HE3 TRP 15 3HE TRP 15 2.532 -6.730 -2.615 99 HZ2 TRP 15 2HZ TRP 15 6.875 -4.369 -3.269 100 HZ3 TRP 15 3HZ TRP 15 2.608 -4.374 -3.323 101 HH2 TRP 15 HH TRP 15 4.736 -3.220 -3.642 102 H CYS 16 H CYS 16 1.912 -8.147 -0.161 103 HA CYS 16 HA CYS 16 3.049 -5.751 0.720 104 HB2 CYS 16 1HB CYS 16 0.250 -6.849 0.843 105 HB3 CYS 16 2HB CYS 16 0.641 -5.269 1.511 106 HG CYS 16 HG CYS 16 0.367 -6.231 -1.700 107 H GLN 17 H GLN 17 1.878 -8.537 2.492 108 HA GLN 17 HA GLN 17 1.731 -7.408 5.051 109 HB2 GLN 17 1HB GLN 17 2.162 -10.194 4.031 110 HB3 GLN 17 2HB GLN 17 2.284 -9.862 5.753 111 HG2 GLN 17 1HG GLN 17 -0.015 -8.838 5.593 112 HG3 GLN 17 2HG GLN 17 -0.106 -9.519 3.970 113 HE21 GLN 17 1HE2 GLN 17 -1.837 -10.145 6.112 114 HE22 GLN 17 2HE2 GLN 17 -1.635 -11.819 6.487 115 H GLU 18 H GLU 18 4.444 -8.794 3.272 116 HA GLU 18 HA GLU 18 6.269 -8.619 5.473 117 HB2 GLU 18 1HB GLU 18 6.616 -9.122 2.523 118 HB3 GLU 18 2HB GLU 18 7.990 -8.986 3.612 119 HG2 GLU 18 1HG GLU 18 6.631 -10.797 4.973 120 HG3 GLU 18 2HG GLU 18 5.956 -11.129 3.378 121 H GLN 19 H GLN 19 5.565 -6.653 2.621 122 HA GLN 19 HA GLN 19 7.673 -4.804 2.974 123 HB2 GLN 19 1HB GLN 19 5.006 -4.381 1.615 124 HB3 GLN 19 2HB GLN 19 6.440 -3.385 1.410 125 HG2 GLN 19 1HG GLN 19 6.032 -6.228 0.533 126 HG3 GLN 19 2HG GLN 19 6.286 -4.806 -0.477 127 HE21 GLN 19 1HE2 GLN 19 7.761 -7.373 -0.221 128 HE22 GLN 19 2HE2 GLN 19 9.403 -6.919 0.070 129 H THR 20 H THR 20 4.192 -4.458 3.674 130 HA THR 20 HA THR 20 4.392 -2.003 5.009 131 HB THR 20 HB THR 20 2.183 -2.584 6.019 132 HG1 THR 20 1HG THR 20 2.894 -5.086 4.965 133 HG21 THR 20 1HG2 THR 20 0.958 -2.645 3.914 134 HG22 THR 20 2HG2 THR 20 2.412 -3.169 3.065 135 HG23 THR 20 3HG2 THR 20 2.344 -1.562 3.787 136 H ALA 21 H ALA 21 5.304 -5.136 5.995 137 HA ALA 21 HA ALA 21 4.906 -5.036 8.759 138 HB1 ALA 21 1HB ALA 21 7.374 -6.364 8.151 139 HB2 ALA 21 2HB ALA 21 5.827 -7.052 8.646 140 HB3 ALA 21 3HB ALA 21 6.159 -6.766 6.938 141 H GLY 22 H GLY 22 6.422 -4.622 10.475 142 HA2 GLY 22 1HA GLY 22 8.383 -3.645 11.367 143 HA3 GLY 22 2HA GLY 22 8.699 -2.908 9.803 144 H TYR 23 H TYR 23 6.091 -1.791 9.432 145 HA TYR 23 HA TYR 23 6.442 0.679 10.737 146 HB2 TYR 23 1HB TYR 23 5.208 0.170 8.536 147 HB3 TYR 23 2HB TYR 23 3.828 -0.231 9.551 148 HD1 TYR 23 2HD TYR 23 3.228 1.627 11.350 149 HD2 TYR 23 1HD TYR 23 5.394 2.336 7.758 150 HE1 TYR 23 2HE TYR 23 2.604 4.005 11.449 151 HE2 TYR 23 1HE TYR 23 4.778 4.715 7.848 152 HH TYR 23 HH TYR 23 2.867 6.017 10.541 153 HA PRO 24 HA PRO 24 4.626 -0.402 14.657 154 HB2 PRO 24 1HB PRO 24 4.853 2.070 15.757 155 HB3 PRO 24 2HB PRO 24 6.221 0.962 15.593 156 HG2 PRO 24 1HG PRO 24 5.443 3.278 13.865 157 HG3 PRO 24 2HG PRO 24 7.051 2.803 14.441 158 HD2 PRO 24 1HD PRO 24 6.176 2.246 11.940 159 HD3 PRO 24 2HD PRO 24 7.290 1.181 12.821 160 H GLY 25 H GLY 25 2.476 -0.786 14.146 161 HA2 GLY 25 1HA GLY 25 0.298 0.038 14.885 162 HA3 GLY 25 2HA GLY 25 0.738 1.601 14.212 163 H VAL 26 H VAL 26 1.364 -1.445 12.595 164 HA VAL 26 HA VAL 26 -0.899 -1.004 10.790 165 HB VAL 26 HB VAL 26 1.954 -1.317 9.842 166 HG11 VAL 26 1HG1 VAL 26 1.188 -1.512 7.667 167 HG12 VAL 26 2HG1 VAL 26 0.014 -2.478 8.563 168 HG13 VAL 26 3HG1 VAL 26 -0.396 -0.840 8.054 169 HG21 VAL 26 1HG2 VAL 26 1.853 0.893 9.071 170 HG22 VAL 26 2HG2 VAL 26 0.101 0.976 9.264 171 HG23 VAL 26 3HG2 VAL 26 1.146 0.959 10.686 172 H HIS 27 H HIS 27 -1.952 -2.845 10.485 173 HA HIS 27 HA HIS 27 -0.448 -5.369 10.487 174 HB2 HIS 27 1HB HIS 27 -2.541 -6.342 11.673 175 HB3 HIS 27 2HB HIS 27 -1.354 -5.465 12.636 176 HD1 HIS 27 1HD HIS 27 -2.122 -3.349 13.796 177 HD2 HIS 27 2HD HIS 27 -4.979 -4.925 11.224 178 HE1 HIS 27 1HE HIS 27 -4.231 -2.059 14.261 179 HE2 HIS 27 2HE HIS 27 -5.967 -3.089 12.754 180 H VAL 28 H VAL 28 -0.634 -5.266 8.192 181 HA VAL 28 HA VAL 28 -3.160 -5.121 6.882 182 HB VAL 28 HB VAL 28 -0.507 -6.149 5.865 183 HG11 VAL 28 1HG1 VAL 28 -1.957 -7.050 4.335 184 HG12 VAL 28 2HG1 VAL 28 -3.163 -5.783 4.567 185 HG13 VAL 28 3HG1 VAL 28 -1.704 -5.452 3.633 186 HG21 VAL 28 1HG2 VAL 28 -1.839 -3.454 5.744 187 HG22 VAL 28 2HG2 VAL 28 -0.270 -3.861 6.438 188 HG23 VAL 28 3HG2 VAL 28 -0.501 -3.914 4.690 189 H SER 29 H SER 29 -4.450 -6.688 7.930 190 HA SER 29 HA SER 29 -3.675 -9.474 7.813 191 HB2 SER 29 1HB SER 29 -4.994 -8.431 9.718 192 HB3 SER 29 2HB SER 29 -6.369 -8.366 8.615 193 HG SER 29 HG SER 29 -6.494 -10.527 8.609 194 H ASP 30 H ASP 30 -5.679 -7.250 6.038 195 HA ASP 30 HA ASP 30 -5.929 -9.101 3.864 196 HB2 ASP 30 1HB ASP 30 -7.838 -9.541 5.653 197 HB3 ASP 30 2HB ASP 30 -8.580 -8.157 4.854 198 H LEU 31 H LEU 31 -7.456 -8.079 2.127 199 HA LEU 31 HA LEU 31 -6.697 -5.253 1.946 200 HB2 LEU 31 1HB LEU 31 -7.397 -7.340 -0.091 201 HB3 LEU 31 2HB LEU 31 -7.397 -5.626 -0.498 202 HG LEU 31 HG LEU 31 -4.971 -5.621 0.330 203 HD11 LEU 31 1HD1 LEU 31 -5.531 -8.139 1.160 204 HD12 LEU 31 2HD1 LEU 31 -3.908 -7.531 0.835 205 HD13 LEU 31 3HD1 LEU 31 -4.765 -8.457 -0.397 206 HD21 LEU 31 1HD2 LEU 31 -6.152 -6.178 -2.160 207 HD22 LEU 31 2HD2 LEU 31 -4.774 -7.267 -2.005 208 HD23 LEU 31 3HD2 LEU 31 -4.545 -5.525 -1.845 209 H SER 32 H SER 32 -8.897 -5.962 3.589 210 HA SER 32 HA SER 32 -11.211 -5.044 2.026 211 HB2 SER 32 1HB SER 32 -10.936 -6.641 4.550 212 HB3 SER 32 2HB SER 32 -12.423 -5.744 4.240 213 HG SER 32 HG SER 32 -12.349 -6.874 2.114 214 H SER 33 H SER 33 -10.249 -4.705 5.438 215 HA SER 33 HA SER 33 -10.846 -1.827 5.217 216 HB2 SER 33 1HB SER 33 -11.484 -3.836 7.329 217 HB3 SER 33 2HB SER 33 -11.141 -2.183 7.836 218 HG SER 33 HG SER 33 -12.868 -1.464 6.709 219 H SER 34 H SER 34 -8.588 -4.246 6.221 220 HA SER 34 HA SER 34 -6.958 -2.943 8.003 221 HB2 SER 34 1HB SER 34 -6.791 -5.315 6.803 222 HB3 SER 34 2HB SER 34 -5.617 -4.455 5.808 223 HG SER 34 HG SER 34 -4.615 -3.823 7.844 224 H TRP 35 H TRP 35 -7.410 -2.281 4.636 225 HA TRP 35 HA TRP 35 -5.118 -0.452 4.608 226 HB2 TRP 35 1HB TRP 35 -6.889 -1.415 2.351 227 HB3 TRP 35 2HB TRP 35 -5.516 -0.326 2.166 228 HD1 TRP 35 HD TRP 35 -6.194 -3.941 3.411 229 HE1 TRP 35 1HE TRP 35 -4.135 -5.372 2.832 230 HE3 TRP 35 3HE TRP 35 -3.196 -0.295 1.445 231 HZ2 TRP 35 2HZ TRP 35 -1.578 -5.005 1.693 232 HZ3 TRP 35 3HZ TRP 35 -0.958 -0.919 0.634 233 HH2 TRP 35 HH TRP 35 -0.168 -3.225 0.757 234 H ALA 36 H ALA 36 -8.520 -0.506 4.890 235 HA ALA 36 HA ALA 36 -8.969 2.169 3.914 236 HB1 ALA 36 1HB ALA 36 -11.003 0.968 5.661 237 HB2 ALA 36 2HB ALA 36 -11.160 1.688 4.058 238 HB3 ALA 36 3HB ALA 36 -10.591 0.027 4.228 239 H ASP 37 H ASP 37 -6.947 2.186 5.815 240 HA ASP 37 HA ASP 37 -8.242 3.645 8.022 241 HB2 ASP 37 1HB ASP 37 -6.715 2.783 9.601 242 HB3 ASP 37 2HB ASP 37 -7.207 1.389 8.643 243 H GLY 38 H GLY 38 -5.510 3.366 5.836 244 HA2 GLY 38 1HA GLY 38 -4.754 5.526 4.888 245 HA3 GLY 38 2HA GLY 38 -4.773 6.142 6.533 246 H LEU 39 H LEU 39 -3.428 4.556 8.056 247 HA LEU 39 HA LEU 39 -0.756 4.943 7.476 248 HB2 LEU 39 1HB LEU 39 -2.252 3.225 9.374 249 HB3 LEU 39 2HB LEU 39 -0.540 2.877 9.141 250 HG LEU 39 HG LEU 39 -1.653 5.540 10.019 251 HD11 LEU 39 1HD1 LEU 39 -0.374 3.324 11.610 252 HD12 LEU 39 2HD1 LEU 39 -2.038 3.893 11.738 253 HD13 LEU 39 3HD1 LEU 39 -0.707 4.946 12.217 254 HD21 LEU 39 1HD2 LEU 39 0.697 6.022 10.571 255 HD22 LEU 39 2HD2 LEU 39 0.454 5.751 8.844 256 HD23 LEU 39 3HD2 LEU 39 1.168 4.485 9.845 257 H ALA 40 H ALA 40 -2.661 1.966 7.074 258 HA ALA 40 HA ALA 40 -0.928 0.106 6.289 259 HB1 ALA 40 1HB ALA 40 -3.581 0.851 5.149 260 HB2 ALA 40 2HB ALA 40 -2.641 -0.431 4.385 261 HB3 ALA 40 3HB ALA 40 -3.112 -0.573 6.078 262 H LEU 41 H LEU 41 -2.309 2.236 3.780 263 HA LEU 41 HA LEU 41 -0.477 1.610 1.789 264 HB2 LEU 41 1HB LEU 41 -2.322 3.877 2.308 265 HB3 LEU 41 2HB LEU 41 -1.092 4.093 1.065 266 HG LEU 41 HG LEU 41 -3.174 1.909 1.101 267 HD11 LEU 41 1HD1 LEU 41 -3.439 4.612 0.416 268 HD12 LEU 41 2HD1 LEU 41 -4.563 3.297 0.074 269 HD13 LEU 41 3HD1 LEU 41 -3.328 3.731 -1.108 270 HD21 LEU 41 1HD2 LEU 41 -2.389 1.648 -1.287 271 HD22 LEU 41 2HD2 LEU 41 -1.272 1.093 -0.040 272 HD23 LEU 41 3HD2 LEU 41 -0.998 2.639 -0.843 273 H CYS 42 H CYS 42 -0.318 4.068 4.312 274 HA CYS 42 HA CYS 42 1.906 5.488 3.412 275 HB2 CYS 42 1HB CYS 42 1.210 4.911 6.297 276 HB3 CYS 42 2HB CYS 42 2.157 6.264 5.691 277 HG CYS 42 HG CYS 42 -1.009 5.959 4.544 278 H ALA 43 H ALA 43 1.727 2.598 5.457 279 HA ALA 43 HA ALA 43 4.482 2.374 5.983 280 HB1 ALA 43 1HB ALA 43 3.757 -0.162 6.202 281 HB2 ALA 43 2HB ALA 43 3.286 1.047 7.398 282 HB3 ALA 43 3HB ALA 43 2.144 0.551 6.149 283 H LEU 44 H LEU 44 2.462 0.800 3.509 284 HA LEU 44 HA LEU 44 4.405 -0.741 2.283 285 HB2 LEU 44 1HB LEU 44 2.150 -1.055 1.660 286 HB3 LEU 44 2HB LEU 44 1.968 0.634 1.189 287 HG LEU 44 HG LEU 44 3.570 0.166 -0.699 288 HD11 LEU 44 1HD1 LEU 44 3.931 -2.130 -1.354 289 HD12 LEU 44 2HD1 LEU 44 3.020 -2.704 0.041 290 HD13 LEU 44 3HD1 LEU 44 4.558 -1.871 0.274 291 HD21 LEU 44 1HD2 LEU 44 0.933 0.062 -0.659 292 HD22 LEU 44 2HD2 LEU 44 1.228 -1.639 -1.015 293 HD23 LEU 44 3HD2 LEU 44 1.851 -0.391 -2.095 294 H VAL 45 H VAL 45 3.588 2.658 1.745 295 HA VAL 45 HA VAL 45 5.482 2.990 -0.385 296 HB VAL 45 HB VAL 45 4.049 5.072 1.272 297 HG11 VAL 45 1HG1 VAL 45 5.045 6.687 0.083 298 HG12 VAL 45 2HG1 VAL 45 6.249 5.458 -0.310 299 HG13 VAL 45 3HG1 VAL 45 4.921 5.781 -1.424 300 HG21 VAL 45 1HG2 VAL 45 2.242 4.456 0.132 301 HG22 VAL 45 2HG2 VAL 45 3.044 5.029 -1.331 302 HG23 VAL 45 3HG2 VAL 45 3.177 3.336 -0.859 303 H TYR 46 H TYR 46 5.321 4.461 2.864 304 HA TYR 46 HA TYR 46 7.794 5.603 2.981 305 HB2 TYR 46 1HB TYR 46 6.104 4.310 5.100 306 HB3 TYR 46 2HB TYR 46 7.679 4.984 5.505 307 HD1 TYR 46 1HD TYR 46 7.974 7.448 4.279 308 HD2 TYR 46 2HD TYR 46 4.343 5.687 5.625 309 HE1 TYR 46 1HE TYR 46 6.970 9.685 4.477 310 HE2 TYR 46 2HE TYR 46 3.327 7.919 5.825 311 HH TYR 46 HH TYR 46 3.809 10.158 5.917 312 H ARG 47 H ARG 47 7.023 2.272 3.988 313 HA ARG 47 HA ARG 47 9.648 1.515 4.622 314 HB2 ARG 47 1HB ARG 47 7.330 0.332 5.029 315 HB3 ARG 47 2HB ARG 47 7.710 -0.475 3.513 316 HG2 ARG 47 1HG ARG 47 9.398 -0.491 6.006 317 HG3 ARG 47 2HG ARG 47 8.405 -1.819 5.406 318 HD2 ARG 47 1HD ARG 47 10.408 -2.460 4.541 319 HD3 ARG 47 2HD ARG 47 9.865 -1.418 3.226 320 HE ARG 47 HE ARG 47 11.258 0.211 4.958 321 HH11 ARG 47 2HH1 ARG 47 11.925 -2.630 3.059 322 HH12 ARG 47 1HH1 ARG 47 13.598 -2.242 2.827 323 HH21 ARG 47 2HH2 ARG 47 13.459 0.732 4.660 324 HH22 ARG 47 1HH2 ARG 47 14.469 -0.330 3.739 325 H LEU 48 H LEU 48 7.769 0.761 1.681 326 HA LEU 48 HA LEU 48 9.544 -0.568 0.165 327 HB2 LEU 48 1HB LEU 48 7.514 1.495 -0.482 328 HB3 LEU 48 2HB LEU 48 8.637 1.033 -1.760 329 HG LEU 48 HG LEU 48 6.901 -0.928 -0.267 330 HD11 LEU 48 1HD1 LEU 48 5.557 0.731 -1.519 331 HD12 LEU 48 2HD1 LEU 48 5.417 -0.906 -2.159 332 HD13 LEU 48 3HD1 LEU 48 6.425 0.281 -2.987 333 HD21 LEU 48 1HD2 LEU 48 9.087 -1.586 -1.513 334 HD22 LEU 48 2HD2 LEU 48 8.123 -1.327 -2.966 335 HD23 LEU 48 3HD2 LEU 48 7.617 -2.524 -1.773 336 H GLN 49 H GLN 49 9.640 2.888 0.841 337 HA GLN 49 HA GLN 49 12.383 2.942 -0.207 338 HB2 GLN 49 1HB GLN 49 10.850 3.964 -1.867 339 HB3 GLN 49 2HB GLN 49 10.333 5.120 -0.646 340 HG2 GLN 49 1HG GLN 49 12.576 6.030 -0.520 341 HG3 GLN 49 2HG GLN 49 13.142 4.835 -1.688 342 HE21 GLN 49 1HE2 GLN 49 11.092 4.874 -3.512 343 HE22 GLN 49 2HE2 GLN 49 11.038 6.415 -4.289 344 HA PRO 50 HA PRO 50 12.591 4.489 4.051 345 HB2 PRO 50 1HB PRO 50 15.230 3.920 4.347 346 HB3 PRO 50 2HB PRO 50 13.958 2.710 4.545 347 HG2 PRO 50 1HG PRO 50 15.720 3.237 2.183 348 HG3 PRO 50 2HG PRO 50 15.239 1.687 2.895 349 HD2 PRO 50 1HD PRO 50 14.065 2.695 0.673 350 HD3 PRO 50 2HD PRO 50 13.184 1.700 1.851 351 H GLY 51 H GLY 51 13.800 5.582 1.130 352 HA2 GLY 51 1HA GLY 51 15.546 7.634 2.207 353 HA3 GLY 51 2HA GLY 51 15.128 7.398 0.517 354 H LEU 52 H LEU 52 12.228 7.348 1.179 355 HA LEU 52 HA LEU 52 11.759 10.149 0.887 356 HB2 LEU 52 1HB LEU 52 10.068 7.700 0.999 357 HB3 LEU 52 2HB LEU 52 9.300 9.270 1.223 358 HG LEU 52 HG LEU 52 11.039 8.888 -1.161 359 HD11 LEU 52 1HD1 LEU 52 9.880 6.942 -1.526 360 HD12 LEU 52 2HD1 LEU 52 8.811 8.118 -2.290 361 HD13 LEU 52 3HD1 LEU 52 8.442 7.509 -0.677 362 HD21 LEU 52 1HD2 LEU 52 8.760 10.153 -1.927 363 HD22 LEU 52 2HD2 LEU 52 10.214 10.967 -1.348 364 HD23 LEU 52 3HD2 LEU 52 8.881 10.646 -0.238 365 H LEU 53 H LEU 53 10.528 11.505 2.269 366 HA LEU 53 HA LEU 53 11.272 11.670 4.876 367 HB2 LEU 53 1HB LEU 53 9.418 13.148 5.251 368 HB3 LEU 53 2HB LEU 53 10.060 13.415 3.632 369 HG LEU 53 HG LEU 53 7.796 13.513 3.255 370 HD11 LEU 53 1HD1 LEU 53 8.454 10.586 2.958 371 HD12 LEU 53 2HD1 LEU 53 8.757 11.854 1.772 372 HD13 LEU 53 3HD1 LEU 53 7.101 11.415 2.189 373 HD21 LEU 53 1HD2 LEU 53 7.633 11.641 5.546 374 HD22 LEU 53 2HD2 LEU 53 6.338 11.574 4.350 375 HD23 LEU 53 3HD2 LEU 53 6.686 13.086 5.191 376 H GLU 54 H GLU 54 9.810 11.504 6.853 377 HA GLU 54 HA GLU 54 8.600 8.824 6.865 378 HB2 GLU 54 1HB GLU 54 9.962 10.467 8.978 379 HB3 GLU 54 2HB GLU 54 8.876 9.160 9.427 380 HG2 GLU 54 1HG GLU 54 11.121 8.684 7.512 381 HG3 GLU 54 2HG GLU 54 11.403 8.697 9.252 382 HA PRO 55 HA PRO 55 4.586 10.360 7.744 383 HB2 PRO 55 1HB PRO 55 3.643 8.499 9.481 384 HB3 PRO 55 2HB PRO 55 3.871 8.176 7.758 385 HG2 PRO 55 1HG PRO 55 5.643 7.474 10.066 386 HG3 PRO 55 2HG PRO 55 5.189 6.489 8.663 387 HD2 PRO 55 1HD PRO 55 7.569 7.770 8.836 388 HD3 PRO 55 2HD PRO 55 6.735 7.507 7.290 389 H SER 56 H SER 56 7.021 10.621 9.907 390 HA SER 56 HA SER 56 6.260 10.926 12.426 391 HB2 SER 56 1HB SER 56 7.830 12.818 10.701 392 HB3 SER 56 2HB SER 56 7.516 13.217 12.390 393 HG SER 56 HG SER 56 8.451 11.134 12.900 394 H GLU 57 H GLU 57 5.141 12.977 9.798 395 HA GLU 57 HA GLU 57 3.598 14.658 11.587 396 HB2 GLU 57 1HB GLU 57 3.695 14.596 8.566 397 HB3 GLU 57 2HB GLU 57 2.899 15.822 9.542 398 HG2 GLU 57 1HG GLU 57 4.890 16.836 8.989 399 HG3 GLU 57 2HG GLU 57 5.231 16.176 10.588 400 H LEU 58 H LEU 58 2.984 12.230 9.078 401 HA LEU 58 HA LEU 58 0.246 12.295 8.935 402 HB2 LEU 58 1HB LEU 58 2.284 10.166 8.623 403 HB3 LEU 58 2HB LEU 58 0.602 9.660 8.751 404 HG LEU 58 HG LEU 58 0.085 11.147 6.812 405 HD11 LEU 58 1HD1 LEU 58 2.383 11.486 5.466 406 HD12 LEU 58 2HD1 LEU 58 2.963 11.716 7.116 407 HD13 LEU 58 3HD1 LEU 58 1.661 12.728 6.490 408 HD21 LEU 58 1HD2 LEU 58 1.824 9.574 5.342 409 HD22 LEU 58 2HD2 LEU 58 0.186 9.147 5.839 410 HD23 LEU 58 3HD2 LEU 58 1.564 8.655 6.825 411 H GLN 59 H GLN 59 2.212 11.267 11.577 412 HA GLN 59 HA GLN 59 0.525 9.536 12.938 413 HB2 GLN 59 1HB GLN 59 2.560 11.534 13.893 414 HB3 GLN 59 2HB GLN 59 1.658 10.534 15.025 415 HG2 GLN 59 1HG GLN 59 3.391 9.498 12.792 416 HG3 GLN 59 2HG GLN 59 3.866 9.610 14.486 417 HE21 GLN 59 1HE2 GLN 59 3.417 7.342 12.520 418 HE22 GLN 59 2HE2 GLN 59 2.415 6.234 13.387 419 H GLY 60 H GLY 60 0.610 13.081 12.979 420 HA2 GLY 60 1HA GLY 60 -1.927 13.039 14.491 421 HA3 GLY 60 2HA GLY 60 -0.769 14.361 14.533 422 H LEU 61 H LEU 61 -2.076 12.578 11.756 423 HA LEU 61 HA LEU 61 -3.051 15.149 10.700 424 HB2 LEU 61 1HB LEU 61 -1.777 12.782 9.453 425 HB3 LEU 61 2HB LEU 61 -3.025 13.606 8.521 426 HG LEU 61 HG LEU 61 -0.441 14.787 9.530 427 HD11 LEU 61 1HD1 LEU 61 -0.513 15.189 6.861 428 HD12 LEU 61 2HD1 LEU 61 -1.360 13.647 6.981 429 HD13 LEU 61 3HD1 LEU 61 0.270 13.812 7.634 430 HD21 LEU 61 1HD2 LEU 61 -2.947 16.032 8.635 431 HD22 LEU 61 2HD2 LEU 61 -1.488 16.632 7.844 432 HD23 LEU 61 3HD2 LEU 61 -1.628 16.695 9.602 433 H GLY 62 H GLY 62 -3.781 11.671 10.316 434 HA2 GLY 62 1HA GLY 62 -6.227 11.398 11.332 435 HA3 GLY 62 2HA GLY 62 -6.588 12.322 9.880 436 H ALA 63 H ALA 63 -7.772 9.933 10.107 437 HA ALA 63 HA ALA 63 -6.355 7.709 9.138 438 HB1 ALA 63 1HB ALA 63 -8.374 6.625 9.048 439 HB2 ALA 63 2HB ALA 63 -8.752 7.928 10.176 440 HB3 ALA 63 3HB ALA 63 -9.242 8.055 8.487 441 H LEU 64 H LEU 64 -8.233 10.202 7.451 442 HA LEU 64 HA LEU 64 -7.671 9.051 4.863 443 HB2 LEU 64 1HB LEU 64 -9.730 10.477 5.714 444 HB3 LEU 64 2HB LEU 64 -8.720 11.817 5.174 445 HG LEU 64 HG LEU 64 -8.661 10.838 2.917 446 HD11 LEU 64 1HD1 LEU 64 -9.479 8.517 4.200 447 HD12 LEU 64 2HD1 LEU 64 -9.341 8.772 2.461 448 HD13 LEU 64 3HD1 LEU 64 -10.887 9.028 3.270 449 HD21 LEU 64 1HD2 LEU 64 -10.646 12.287 4.057 450 HD22 LEU 64 2HD2 LEU 64 -11.553 10.908 3.436 451 HD23 LEU 64 3HD2 LEU 64 -10.568 11.882 2.343 452 H GLU 65 H GLU 65 -6.815 12.068 6.554 453 HA GLU 65 HA GLU 65 -5.266 13.359 4.773 454 HB2 GLU 65 1HB GLU 65 -4.698 12.888 7.699 455 HB3 GLU 65 2HB GLU 65 -3.777 14.017 6.714 456 HG2 GLU 65 1HG GLU 65 -6.711 14.146 7.358 457 HG3 GLU 65 2HG GLU 65 -5.441 15.221 7.938 458 H ALA 66 H ALA 66 -4.385 10.420 6.486 459 HA ALA 66 HA ALA 66 -1.665 10.362 5.704 460 HB1 ALA 66 1HB ALA 66 -1.548 8.336 6.754 461 HB2 ALA 66 2HB ALA 66 -2.999 8.991 7.516 462 HB3 ALA 66 3HB ALA 66 -3.143 7.829 6.197 463 H THR 67 H THR 67 -4.476 8.546 4.467 464 HA THR 67 HA THR 67 -3.300 7.184 2.404 465 HB THR 67 HB THR 67 -6.026 8.493 2.318 466 HG1 THR 67 1HG THR 67 -6.068 7.137 4.033 467 HG21 THR 67 1HG2 THR 67 -6.583 7.119 0.543 468 HG22 THR 67 2HG2 THR 67 -5.298 5.964 0.897 469 HG23 THR 67 3HG2 THR 67 -4.909 7.519 0.165 470 H ALA 68 H ALA 68 -4.505 10.521 2.345 471 HA ALA 68 HA ALA 68 -4.211 11.156 -0.304 472 HB1 ALA 68 1HB ALA 68 -4.058 13.431 0.336 473 HB2 ALA 68 2HB ALA 68 -5.062 12.637 1.550 474 HB3 ALA 68 3HB ALA 68 -3.377 13.016 1.910 475 H TRP 69 H TRP 69 -1.683 11.275 2.197 476 HA TRP 69 HA TRP 69 0.382 12.176 0.511 477 HB2 TRP 69 1HB TRP 69 0.649 12.348 2.891 478 HB3 TRP 69 2HB TRP 69 0.452 10.609 3.093 479 HD1 TRP 69 HD TRP 69 3.028 13.237 2.100 480 HE1 TRP 69 1HE TRP 69 5.351 12.133 2.017 481 HE3 TRP 69 3HE TRP 69 1.627 8.352 2.660 482 HZ2 TRP 69 2HZ TRP 69 6.446 9.536 2.167 483 HZ3 TRP 69 3HZ TRP 69 3.374 6.620 2.679 484 HH2 TRP 69 HH TRP 69 5.733 7.200 2.436 485 H ALA 70 H ALA 70 -0.192 8.883 1.768 486 HA ALA 70 HA ALA 70 1.700 7.445 0.500 487 HB1 ALA 70 1HB ALA 70 -1.137 6.468 0.450 488 HB2 ALA 70 2HB ALA 70 0.347 5.549 0.701 489 HB3 ALA 70 3HB ALA 70 -0.241 6.632 1.961 490 H LEU 71 H LEU 71 -1.456 8.210 -0.981 491 HA LEU 71 HA LEU 71 -0.909 7.122 -3.498 492 HB2 LEU 71 1HB LEU 71 -2.767 9.301 -2.593 493 HB3 LEU 71 2HB LEU 71 -2.681 8.786 -4.276 494 HG LEU 71 HG LEU 71 -3.215 6.768 -2.137 495 HD11 LEU 71 1HD1 LEU 71 -5.521 8.102 -3.443 496 HD12 LEU 71 2HD1 LEU 71 -4.747 8.927 -2.090 497 HD13 LEU 71 3HD1 LEU 71 -5.409 7.307 -1.872 498 HD21 LEU 71 1HD2 LEU 71 -3.522 5.442 -3.889 499 HD22 LEU 71 2HD2 LEU 71 -3.039 6.768 -4.947 500 HD23 LEU 71 3HD2 LEU 71 -4.741 6.533 -4.545 501 H LYS 72 H LYS 72 -0.026 10.177 -2.077 502 HA LYS 72 HA LYS 72 0.704 11.459 -4.527 503 HB2 LYS 72 1HB LYS 72 0.127 12.534 -2.246 504 HB3 LYS 72 2HB LYS 72 1.799 12.194 -1.825 505 HG2 LYS 72 1HG LYS 72 2.389 13.451 -3.981 506 HG3 LYS 72 2HG LYS 72 0.729 14.048 -3.918 507 HD2 LYS 72 1HD LYS 72 2.520 14.252 -1.525 508 HD3 LYS 72 2HD LYS 72 2.614 15.446 -2.821 509 HE2 LYS 72 1HE LYS 72 0.003 14.727 -1.524 510 HE3 LYS 72 2HE LYS 72 1.074 15.943 -0.830 511 HZ1 LYS 72 1HZ LYS 72 0.497 16.232 -3.662 512 HZ2 LYS 72 2HZ LYS 72 0.603 17.409 -2.451 513 HZ3 LYS 72 3HZ LYS 72 -0.810 16.494 -2.621 514 H VAL 73 H VAL 73 2.802 10.561 -1.787 515 HA VAL 73 HA VAL 73 5.219 10.691 -3.088 516 HB VAL 73 HB VAL 73 4.342 8.887 -0.841 517 HG11 VAL 73 1HG1 VAL 73 6.133 7.643 -1.496 518 HG12 VAL 73 2HG1 VAL 73 6.927 9.002 -2.292 519 HG13 VAL 73 3HG1 VAL 73 6.978 8.855 -0.535 520 HG21 VAL 73 1HG2 VAL 73 5.716 11.533 -1.057 521 HG22 VAL 73 2HG2 VAL 73 4.357 11.056 -0.037 522 HG23 VAL 73 3HG2 VAL 73 5.988 10.508 0.352 523 H ALA 74 H ALA 74 2.808 8.177 -3.235 524 HA ALA 74 HA ALA 74 4.517 6.231 -4.475 525 HB1 ALA 74 1HB ALA 74 1.578 6.410 -3.937 526 HB2 ALA 74 2HB ALA 74 2.224 5.152 -4.990 527 HB3 ALA 74 3HB ALA 74 2.761 5.260 -3.314 528 H GLU 75 H GLU 75 2.077 8.543 -5.588 529 HA GLU 75 HA GLU 75 2.289 7.723 -8.333 530 HB2 GLU 75 1HB GLU 75 0.198 8.650 -7.505 531 HB3 GLU 75 2HB GLU 75 1.004 10.149 -7.068 532 HG2 GLU 75 1HG GLU 75 0.994 9.171 -9.895 533 HG3 GLU 75 2HG GLU 75 -0.370 10.070 -9.233 534 H ASN 76 H ASN 76 4.077 9.754 -6.275 535 HA ASN 76 HA ASN 76 5.152 11.352 -8.471 536 HB2 ASN 76 1HB ASN 76 5.458 11.485 -5.474 537 HB3 ASN 76 2HB ASN 76 6.470 12.435 -6.557 538 HD21 ASN 76 1HD2 ASN 76 4.612 13.388 -4.589 539 HD22 ASN 76 2HD2 ASN 76 3.426 14.324 -5.429 540 H GLU 77 H GLU 77 6.568 9.558 -5.727 541 HA GLU 77 HA GLU 77 9.077 9.253 -7.067 542 HB2 GLU 77 1HB GLU 77 7.922 8.436 -4.457 543 HB3 GLU 77 2HB GLU 77 9.279 7.492 -5.055 544 HG2 GLU 77 1HG GLU 77 9.399 10.481 -4.912 545 HG3 GLU 77 2HG GLU 77 9.763 9.472 -3.513 546 H LEU 78 H LEU 78 6.928 6.718 -5.777 547 HA LEU 78 HA LEU 78 7.998 4.644 -7.309 548 HB2 LEU 78 1HB LEU 78 5.134 4.723 -6.420 549 HB3 LEU 78 2HB LEU 78 6.197 3.326 -6.577 550 HG LEU 78 HG LEU 78 6.369 5.470 -4.460 551 HD11 LEU 78 1HD1 LEU 78 4.472 3.867 -4.262 552 HD12 LEU 78 2HD1 LEU 78 5.626 3.791 -2.932 553 HD13 LEU 78 3HD1 LEU 78 5.652 2.557 -4.191 554 HD21 LEU 78 1HD2 LEU 78 8.365 4.680 -3.837 555 HD22 LEU 78 2HD2 LEU 78 8.443 3.982 -5.455 556 HD23 LEU 78 3HD2 LEU 78 7.885 3.002 -4.098 557 H GLY 79 H GLY 79 5.560 7.027 -8.063 558 HA2 GLY 79 1HA GLY 79 4.711 7.633 -10.123 559 HA3 GLY 79 2HA GLY 79 5.719 6.393 -10.856 560 H ILE 80 H ILE 80 3.630 5.461 -8.276 561 HA ILE 80 HA ILE 80 2.142 3.754 -10.076 562 HB ILE 80 HB ILE 80 1.957 4.074 -7.079 563 HG12 ILE 80 1HG1 ILE 80 4.108 3.163 -7.874 564 HG13 ILE 80 2HG1 ILE 80 3.175 1.958 -6.992 565 HG21 ILE 80 1HG2 ILE 80 0.257 2.617 -7.022 566 HG22 ILE 80 2HG2 ILE 80 0.028 3.047 -8.716 567 HG23 ILE 80 3HG2 ILE 80 0.955 1.609 -8.289 568 HD11 ILE 80 1HD1 ILE 80 2.438 1.649 -9.661 569 HD12 ILE 80 2HD1 ILE 80 4.185 1.885 -9.675 570 HD13 ILE 80 3HD1 ILE 80 3.479 0.595 -8.704 571 H THR 81 H THR 81 0.845 5.135 -11.279 572 HA THR 81 HA THR 81 -0.643 7.282 -10.527 573 HB THR 81 HB THR 81 -1.507 5.084 -12.414 574 HG1 THR 81 1HG THR 81 -0.732 6.716 -13.960 575 HG21 THR 81 1HG2 THR 81 -3.366 6.230 -12.907 576 HG22 THR 81 2HG2 THR 81 -2.501 7.766 -12.947 577 HG23 THR 81 3HG2 THR 81 -3.085 7.122 -11.413 578 HA PRO 82 HA PRO 82 -3.435 5.759 -7.441 579 HB2 PRO 82 1HB PRO 82 -5.003 7.971 -7.296 580 HB3 PRO 82 2HB PRO 82 -3.389 7.889 -6.580 581 HG2 PRO 82 1HG PRO 82 -4.250 9.098 -9.180 582 HG3 PRO 82 2HG PRO 82 -3.125 9.737 -7.967 583 HD2 PRO 82 1HD PRO 82 -2.286 8.525 -10.238 584 HD3 PRO 82 2HD PRO 82 -1.380 8.428 -8.714 585 H VAL 83 H VAL 83 -4.543 4.120 -8.506 586 HA VAL 83 HA VAL 83 -6.488 4.633 -10.535 587 HB VAL 83 HB VAL 83 -5.161 2.445 -10.054 588 HG11 VAL 83 1HG1 VAL 83 -7.602 1.593 -8.588 589 HG12 VAL 83 2HG1 VAL 83 -5.959 0.951 -8.522 590 HG13 VAL 83 3HG1 VAL 83 -6.353 2.458 -7.693 591 HG21 VAL 83 1HG2 VAL 83 -6.475 2.283 -11.909 592 HG22 VAL 83 2HG2 VAL 83 -7.334 1.153 -10.862 593 HG23 VAL 83 3HG2 VAL 83 -7.932 2.802 -11.060 594 H VAL 84 H VAL 84 -6.560 4.259 -7.054 595 HA VAL 84 HA VAL 84 -9.487 4.609 -7.100 596 HB VAL 84 HB VAL 84 -7.716 3.390 -4.980 597 HG11 VAL 84 1HG1 VAL 84 -9.749 3.033 -3.677 598 HG12 VAL 84 2HG1 VAL 84 -9.454 4.754 -3.937 599 HG13 VAL 84 3HG1 VAL 84 -10.685 3.916 -4.884 600 HG21 VAL 84 1HG2 VAL 84 -9.449 1.490 -5.424 601 HG22 VAL 84 2HG2 VAL 84 -9.684 2.325 -6.959 602 HG23 VAL 84 3HG2 VAL 84 -8.087 1.715 -6.524 603 H SER 85 H SER 85 -10.443 6.125 -5.722 604 HA SER 85 HA SER 85 -8.836 8.455 -5.225 605 HB2 SER 85 1HB SER 85 -11.751 7.878 -4.651 606 HB3 SER 85 2HB SER 85 -10.982 9.450 -4.434 607 HG SER 85 HG SER 85 -10.575 8.318 -6.906 608 H ALA 86 H ALA 86 -7.946 9.098 -3.367 609 HA ALA 86 HA ALA 86 -7.326 7.592 -1.250 610 HB1 ALA 86 1HB ALA 86 -8.143 10.354 -0.537 611 HB2 ALA 86 2HB ALA 86 -6.652 9.483 -0.175 612 HB3 ALA 86 3HB ALA 86 -6.912 10.156 -1.784 613 H GLN 87 H GLN 87 -10.347 9.436 -1.523 614 HA GLN 87 HA GLN 87 -11.386 8.782 1.000 615 HB2 GLN 87 1HB GLN 87 -12.227 10.561 -0.592 616 HB3 GLN 87 2HB GLN 87 -13.017 9.272 -1.491 617 HG2 GLN 87 1HG GLN 87 -14.601 8.933 0.106 618 HG3 GLN 87 2HG GLN 87 -13.547 9.453 1.420 619 HE21 GLN 87 1HE2 GLN 87 -16.253 10.245 0.973 620 HE22 GLN 87 2HE2 GLN 87 -16.253 11.955 0.728 621 H ALA 88 H ALA 88 -12.174 7.353 -2.173 622 HA ALA 88 HA ALA 88 -13.862 5.349 -1.393 623 HB1 ALA 88 1HB ALA 88 -13.219 4.146 -3.389 624 HB2 ALA 88 2HB ALA 88 -13.283 5.876 -3.732 625 HB3 ALA 88 3HB ALA 88 -11.726 5.080 -3.504 626 H VAL 89 H VAL 89 -10.323 5.311 -1.319 627 HA VAL 89 HA VAL 89 -9.932 2.644 -0.615 628 HB VAL 89 HB VAL 89 -8.293 5.047 0.200 629 HG11 VAL 89 1HG1 VAL 89 -7.298 2.224 0.011 630 HG12 VAL 89 2HG1 VAL 89 -6.554 3.612 0.809 631 HG13 VAL 89 3HG1 VAL 89 -7.989 2.859 1.504 632 HG21 VAL 89 1HG2 VAL 89 -8.340 3.299 -2.224 633 HG22 VAL 89 2HG2 VAL 89 -8.233 5.056 -2.113 634 HG23 VAL 89 3HG2 VAL 89 -6.834 4.060 -1.712 635 H VAL 90 H VAL 90 -9.959 5.456 1.586 636 HA VAL 90 HA VAL 90 -10.069 3.847 3.931 637 HB VAL 90 HB VAL 90 -10.717 6.779 3.587 638 HG11 VAL 90 1HG1 VAL 90 -11.487 5.364 5.690 639 HG12 VAL 90 2HG1 VAL 90 -9.809 5.628 6.170 640 HG13 VAL 90 3HG1 VAL 90 -10.863 7.007 5.850 641 HG21 VAL 90 1HG2 VAL 90 -8.498 6.682 3.007 642 HG22 VAL 90 2HG2 VAL 90 -8.364 6.857 4.758 643 HG23 VAL 90 3HG2 VAL 90 -8.184 5.268 4.014 644 H ALA 91 H ALA 91 -12.490 6.087 2.563 645 HA ALA 91 HA ALA 91 -14.641 5.653 4.105 646 HB1 ALA 91 1HB ALA 91 -15.921 6.502 2.432 647 HB2 ALA 91 2HB ALA 91 -14.331 6.881 1.767 648 HB3 ALA 91 3HB ALA 91 -15.206 5.458 1.203 649 H GLY 92 H GLY 92 -13.457 3.416 1.634 650 HA2 GLY 92 1HA GLY 92 -13.705 1.105 1.582 651 HA3 GLY 92 2HA GLY 92 -14.765 1.217 2.979 652 H SER 93 H SER 93 -15.104 2.907 -0.105 653 HA SER 93 HA SER 93 -17.779 1.763 -0.367 654 HB2 SER 93 1HB SER 93 -17.571 4.201 -0.546 655 HB3 SER 93 2HB SER 93 -16.447 4.015 -1.892 656 HG SER 93 HG SER 93 -18.282 4.214 -2.959 657 H ASP 94 H ASP 94 -14.750 2.059 -2.165 658 HA ASP 94 HA ASP 94 -15.731 -0.012 -4.018 659 HB2 ASP 94 1HB ASP 94 -13.680 2.152 -4.539 660 HB3 ASP 94 2HB ASP 94 -14.160 0.903 -5.685 661 HA PRO 95 HA PRO 95 -12.375 -2.042 -1.658 662 HB2 PRO 95 1HB PRO 95 -13.440 -4.528 -1.891 663 HB3 PRO 95 2HB PRO 95 -13.940 -3.382 -0.642 664 HG2 PRO 95 1HG PRO 95 -15.260 -4.041 -3.246 665 HG3 PRO 95 2HG PRO 95 -15.993 -3.806 -1.648 666 HD2 PRO 95 1HD PRO 95 -16.006 -1.882 -3.554 667 HD3 PRO 95 2HD PRO 95 -15.934 -1.508 -1.820 668 H LEU 96 H LEU 96 -13.824 -2.768 -4.773 669 HA LEU 96 HA LEU 96 -11.891 -4.610 -5.683 670 HB2 LEU 96 1HB LEU 96 -13.861 -2.816 -7.051 671 HB3 LEU 96 2HB LEU 96 -12.712 -3.772 -7.984 672 HG LEU 96 HG LEU 96 -13.745 -5.726 -6.491 673 HD11 LEU 96 1HD1 LEU 96 -15.890 -3.622 -6.640 674 HD12 LEU 96 2HD1 LEU 96 -15.262 -4.430 -5.205 675 HD13 LEU 96 3HD1 LEU 96 -16.221 -5.334 -6.378 676 HD21 LEU 96 1HD2 LEU 96 -13.847 -6.131 -8.727 677 HD22 LEU 96 2HD2 LEU 96 -14.511 -4.540 -9.101 678 HD23 LEU 96 3HD2 LEU 96 -15.553 -5.797 -8.433 679 H GLY 97 H GLY 97 -12.239 -1.111 -6.285 680 HA2 GLY 97 1HA GLY 97 -10.077 -0.651 -7.897 681 HA3 GLY 97 2HA GLY 97 -10.632 0.490 -6.681 682 H LEU 98 H LEU 98 -10.010 -0.672 -4.334 683 HA LEU 98 HA LEU 98 -7.356 -0.081 -3.928 684 HB2 LEU 98 1HB LEU 98 -8.891 -0.266 -2.094 685 HB3 LEU 98 2HB LEU 98 -9.139 -1.981 -2.417 686 HG LEU 98 HG LEU 98 -6.867 -2.468 -1.702 687 HD11 LEU 98 1HD1 LEU 98 -6.577 0.421 -0.932 688 HD12 LEU 98 2HD1 LEU 98 -5.978 -0.219 -2.461 689 HD13 LEU 98 3HD1 LEU 98 -5.348 -0.843 -0.938 690 HD21 LEU 98 1HD2 LEU 98 -7.921 -0.707 0.460 691 HD22 LEU 98 2HD2 LEU 98 -7.280 -2.348 0.551 692 HD23 LEU 98 3HD2 LEU 98 -8.899 -2.069 -0.090 693 H ILE 99 H ILE 99 -8.723 -3.371 -4.165 694 HA ILE 99 HA ILE 99 -6.436 -4.857 -4.041 695 HB ILE 99 HB ILE 99 -8.742 -5.379 -5.918 696 HG12 ILE 99 1HG1 ILE 99 -8.311 -6.285 -3.063 697 HG13 ILE 99 2HG1 ILE 99 -9.439 -5.032 -3.569 698 HG21 ILE 99 1HG2 ILE 99 -6.308 -6.831 -5.336 699 HG22 ILE 99 2HG2 ILE 99 -7.744 -7.788 -4.975 700 HG23 ILE 99 3HG2 ILE 99 -7.517 -7.113 -6.589 701 HD11 ILE 99 1HD1 ILE 99 -10.809 -6.860 -3.355 702 HD12 ILE 99 2HD1 ILE 99 -10.421 -6.906 -5.075 703 HD13 ILE 99 3HD1 ILE 99 -9.587 -7.982 -3.952 704 H ALA 100 H ALA 100 -7.833 -3.421 -6.982 705 HA ALA 100 HA ALA 100 -5.807 -4.306 -8.734 706 HB1 ALA 100 1HB ALA 100 -6.712 -2.140 -10.017 707 HB2 ALA 100 2HB ALA 100 -7.598 -3.664 -9.959 708 HB3 ALA 100 3HB ALA 100 -8.022 -2.355 -8.857 709 H TYR 101 H TYR 101 -6.206 -1.329 -6.869 710 HA TYR 101 HA TYR 101 -4.106 0.150 -7.939 711 HB2 TYR 101 1HB TYR 101 -5.797 1.058 -6.380 712 HB3 TYR 101 2HB TYR 101 -5.065 0.139 -5.069 713 HD1 TYR 101 1HD TYR 101 -3.588 2.239 -7.786 714 HD2 TYR 101 2HD TYR 101 -4.055 1.613 -3.604 715 HE1 TYR 101 1HE TYR 101 -2.054 4.108 -7.342 716 HE2 TYR 101 2HE TYR 101 -2.523 3.481 -3.147 717 HH TYR 101 HH TYR 101 -1.164 5.004 -4.022 718 H LEU 102 H LEU 102 -4.038 -1.772 -4.932 719 HA LEU 102 HA LEU 102 -1.358 -1.576 -4.359 720 HB2 LEU 102 1HB LEU 102 -3.176 -3.950 -3.975 721 HB3 LEU 102 2HB LEU 102 -1.597 -3.763 -3.214 722 HG LEU 102 HG LEU 102 -4.071 -2.113 -2.721 723 HD11 LEU 102 1HD1 LEU 102 -4.448 -3.646 -1.162 724 HD12 LEU 102 2HD1 LEU 102 -2.984 -3.095 -0.348 725 HD13 LEU 102 3HD1 LEU 102 -2.908 -4.441 -1.486 726 HD21 LEU 102 1HD2 LEU 102 -2.611 -1.013 -0.975 727 HD22 LEU 102 2HD2 LEU 102 -2.287 -0.565 -2.650 728 HD23 LEU 102 3HD2 LEU 102 -1.229 -1.709 -1.822 729 H SER 103 H SER 103 -2.951 -3.932 -6.479 730 HA SER 103 HA SER 103 -0.960 -5.652 -7.107 731 HB2 SER 103 1HB SER 103 -3.259 -5.644 -8.102 732 HB3 SER 103 2HB SER 103 -2.735 -4.361 -9.192 733 HG SER 103 HG SER 103 -2.543 -6.867 -9.669 734 H HIS 104 H HIS 104 -1.271 -2.334 -8.253 735 HA HIS 104 HA HIS 104 0.766 -2.356 -10.172 736 HB2 HIS 104 1HB HIS 104 -0.171 -0.082 -8.409 737 HB3 HIS 104 2HB HIS 104 0.836 0.101 -9.843 738 HD1 HIS 104 1HD HIS 104 -0.965 1.542 -11.009 739 HD2 HIS 104 2HD HIS 104 -2.228 -2.296 -10.038 740 HE1 HIS 104 1HE HIS 104 -3.118 1.205 -12.264 741 HE2 HIS 104 2HE HIS 104 -3.907 -1.091 -11.593 742 H PHE 105 H PHE 105 0.883 -1.561 -6.711 743 HA PHE 105 HA PHE 105 3.554 -0.830 -6.535 744 HB2 PHE 105 1HB PHE 105 1.669 -2.100 -4.562 745 HB3 PHE 105 2HB PHE 105 3.335 -1.733 -4.126 746 HD1 PHE 105 1HD PHE 105 0.158 -0.239 -5.281 747 HD2 PHE 105 2HD PHE 105 3.989 0.452 -3.560 748 HE1 PHE 105 1HE PHE 105 -0.496 2.076 -4.761 749 HE2 PHE 105 2HE PHE 105 3.341 2.766 -3.037 750 HZ PHE 105 HZ PHE 105 1.095 3.581 -3.636 751 H HIS 106 H HIS 106 2.123 -4.052 -6.035 752 HA HIS 106 HA HIS 106 4.598 -5.371 -5.654 753 HB2 HIS 106 1HB HIS 106 2.330 -6.225 -4.947 754 HB3 HIS 106 2HB HIS 106 2.027 -6.619 -6.637 755 HD1 HIS 106 1HD HIS 106 1.944 -9.138 -6.306 756 HD2 HIS 106 2HD HIS 106 5.475 -7.422 -4.950 757 HE1 HIS 106 1HE HIS 106 3.486 -11.065 -5.828 758 HE2 HIS 106 2HE HIS 106 5.588 -10.007 -4.928 759 H SER 107 H SER 107 2.356 -5.560 -8.426 760 HA SER 107 HA SER 107 3.754 -6.986 -10.212 761 HB2 SER 107 1HB SER 107 2.361 -4.376 -10.859 762 HB3 SER 107 2HB SER 107 2.741 -5.653 -12.015 763 HG SER 107 HG SER 107 0.542 -5.612 -11.064 764 H ALA 108 H ALA 108 4.605 -3.819 -9.066 765 HA ALA 108 HA ALA 108 6.791 -3.623 -11.011 766 HB1 ALA 108 1HB ALA 108 5.917 -1.545 -9.013 767 HB2 ALA 108 2HB ALA 108 6.982 -1.323 -10.401 768 HB3 ALA 108 3HB ALA 108 5.272 -1.672 -10.649 769 H PHE 109 H PHE 109 6.140 -3.874 -7.565 770 HA PHE 109 HA PHE 109 9.033 -4.067 -7.063 771 HB2 PHE 109 1HB PHE 109 6.741 -3.350 -5.232 772 HB3 PHE 109 2HB PHE 109 8.367 -3.690 -4.648 773 HD1 PHE 109 1HD PHE 109 6.610 -1.539 -7.134 774 HD2 PHE 109 2HD PHE 109 9.825 -1.935 -4.373 775 HE1 PHE 109 1HE PHE 109 7.236 0.807 -7.533 776 HE2 PHE 109 2HE PHE 109 10.455 0.410 -4.767 777 HZ PHE 109 HZ PHE 109 9.160 1.785 -6.347 778 H LYS 110 H LYS 110 7.825 -6.266 -8.190 779 HA LYS 110 HA LYS 110 7.587 -8.146 -5.934 780 HB2 LYS 110 1HB LYS 110 6.224 -9.550 -7.290 781 HB3 LYS 110 2HB LYS 110 5.593 -7.917 -7.460 782 HG2 LYS 110 1HG LYS 110 6.249 -7.738 -9.640 783 HG3 LYS 110 2HG LYS 110 7.590 -8.871 -9.445 784 HD2 LYS 110 1HD LYS 110 6.238 -10.721 -9.693 785 HD3 LYS 110 2HD LYS 110 4.790 -9.865 -9.157 786 HE2 LYS 110 1HE LYS 110 4.539 -10.233 -11.484 787 HE3 LYS 110 2HE LYS 110 4.931 -8.526 -11.283 788 HZ1 LYS 110 1HZ LYS 110 7.351 -9.424 -11.627 789 HZ2 LYS 110 2HZ LYS 110 6.355 -9.085 -12.951 790 HZ3 LYS 110 3HZ LYS 110 6.550 -10.681 -12.427 791 H SER 111 H SER 111 8.372 -10.383 -6.443 792 HA SER 111 HA SER 111 10.233 -11.679 -6.755 793 HB2 SER 111 1HB SER 111 9.907 -10.529 -9.537 794 HB3 SER 111 2HB SER 111 10.859 -11.958 -9.136 795 HG SER 111 HG SER 111 8.057 -11.609 -8.898 796 H GLY 112 H GLY 112 10.887 -9.208 -5.623 797 HA2 GLY 112 1HA GLY 112 13.221 -8.204 -7.051 798 HA3 GLY 112 2HA GLY 112 12.550 -7.556 -5.562 799 HA PRO 113 HA PRO 113 16.440 -9.749 -4.427 800 HB2 PRO 113 1HB PRO 113 17.220 -7.881 -2.617 801 HB3 PRO 113 2HB PRO 113 17.572 -7.751 -4.344 802 HG2 PRO 113 1HG PRO 113 15.406 -6.439 -2.748 803 HG3 PRO 113 2HG PRO 113 16.444 -5.746 -4.007 804 HD2 PRO 113 1HD PRO 113 13.899 -6.533 -4.488 805 HD3 PRO 113 2HD PRO 113 15.177 -6.631 -5.716 806 H SER 114 H SER 114 13.531 -8.959 -2.948 807 HA SER 114 HA SER 114 14.164 -9.758 -0.267 808 HB2 SER 114 1HB SER 114 12.298 -8.208 -0.792 809 HB3 SER 114 2HB SER 114 11.456 -9.529 -1.603 810 HG SER 114 HG SER 114 11.971 -10.545 0.667 811 H SER 115 H SER 115 15.198 -11.792 -0.683 812 HA SER 115 HA SER 115 13.276 -13.964 -1.216 813 HB2 SER 115 1HB SER 115 15.127 -15.279 -2.150 814 HB3 SER 115 2HB SER 115 14.933 -13.763 -3.030 815 HG SER 115 HG SER 115 16.693 -13.779 -0.870 816 H GLY 116 H GLY 116 12.899 -15.202 0.492 817 HA2 GLY 116 1HA GLY 116 14.277 -16.741 2.040 818 HA3 GLY 116 2HA GLY 116 14.870 -15.216 2.679 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.583 -24.821 -14.962 2 HA2 GLY 1 1HA GLY 1 8.323 -23.519 -12.608 3 HA3 GLY 1 2HA GLY 1 8.481 -22.354 -13.914 4 H SER 2 H SER 2 6.386 -23.737 -11.685 5 HA SER 2 HA SER 2 3.923 -23.611 -13.039 6 HB2 SER 2 1HB SER 2 2.905 -23.884 -10.933 7 HB3 SER 2 2HB SER 2 4.468 -24.683 -10.758 8 HG SER 2 HG SER 2 5.214 -22.978 -9.588 9 H SER 3 H SER 3 2.288 -22.035 -13.015 10 HA SER 3 HA SER 3 3.275 -19.334 -13.135 11 HB2 SER 3 1HB SER 3 0.945 -18.787 -13.832 12 HB3 SER 3 2HB SER 3 1.674 -20.063 -14.806 13 HG SER 3 HG SER 3 0.497 -21.579 -13.633 14 H GLY 4 H GLY 4 3.086 -17.774 -11.646 15 HA2 GLY 4 1HA GLY 4 1.341 -18.305 -9.321 16 HA3 GLY 4 2HA GLY 4 2.962 -17.650 -9.141 17 H SER 5 H SER 5 2.907 -15.833 -11.307 18 HA SER 5 HA SER 5 2.003 -13.528 -10.148 19 HB2 SER 5 1HB SER 5 3.411 -13.904 -12.312 20 HB3 SER 5 2HB SER 5 1.854 -13.818 -13.134 21 HG SER 5 HG SER 5 1.588 -11.772 -11.937 22 H SER 6 H SER 6 0.282 -15.263 -12.750 23 HA SER 6 HA SER 6 -2.132 -13.762 -12.241 24 HB2 SER 6 1HB SER 6 -1.326 -14.550 -14.535 25 HB3 SER 6 2HB SER 6 -1.870 -16.157 -14.057 26 HG SER 6 HG SER 6 -3.326 -13.969 -14.827 27 H GLY 7 H GLY 7 -2.979 -14.284 -10.275 28 HA2 GLY 7 1HA GLY 7 -4.270 -16.866 -10.072 29 HA3 GLY 7 2HA GLY 7 -3.020 -16.587 -8.869 30 H THR 8 H THR 8 -4.003 -16.189 -7.001 31 HA THR 8 HA THR 8 -6.435 -14.555 -6.976 32 HB THR 8 HB THR 8 -5.225 -16.059 -4.652 33 HG1 THR 8 1HG THR 8 -5.750 -17.592 -6.193 34 HG21 THR 8 1HG2 THR 8 -7.204 -14.159 -4.689 35 HG22 THR 8 2HG2 THR 8 -7.008 -15.403 -3.454 36 HG23 THR 8 3HG2 THR 8 -8.120 -15.661 -4.798 37 H GLN 9 H GLN 9 -6.612 -12.660 -5.828 38 HA GLN 9 HA GLN 9 -4.528 -10.912 -5.683 39 HB2 GLN 9 1HB GLN 9 -5.885 -9.632 -4.025 40 HB3 GLN 9 2HB GLN 9 -6.786 -10.132 -5.449 41 HG2 GLN 9 1HG GLN 9 -7.730 -12.005 -4.178 42 HG3 GLN 9 2HG GLN 9 -6.856 -11.458 -2.749 43 HE21 GLN 9 1HE2 GLN 9 -7.553 -9.648 -1.654 44 HE22 GLN 9 2HE2 GLN 9 -9.091 -8.915 -1.944 45 H GLU 10 H GLU 10 -5.264 -13.471 -3.482 46 HA GLU 10 HA GLU 10 -4.146 -12.731 -1.111 47 HB2 GLU 10 1HB GLU 10 -3.847 -15.000 -0.620 48 HB3 GLU 10 2HB GLU 10 -5.141 -14.994 -1.810 49 HG2 GLU 10 1HG GLU 10 -3.466 -15.505 -3.561 50 HG3 GLU 10 2HG GLU 10 -2.243 -15.640 -2.298 51 H GLU 11 H GLU 11 -2.387 -13.976 -3.939 52 HA GLU 11 HA GLU 11 0.168 -14.071 -2.946 53 HB2 GLU 11 1HB GLU 11 -0.828 -14.515 -5.356 54 HB3 GLU 11 2HB GLU 11 -0.230 -12.890 -5.660 55 HG2 GLU 11 1HG GLU 11 1.605 -14.853 -4.395 56 HG3 GLU 11 2HG GLU 11 1.249 -15.015 -6.115 57 H LEU 12 H LEU 12 -1.652 -11.243 -3.983 58 HA LEU 12 HA LEU 12 0.553 -9.432 -3.773 59 HB2 LEU 12 1HB LEU 12 -1.179 -8.803 -5.240 60 HB3 LEU 12 2HB LEU 12 -2.419 -9.080 -4.019 61 HG LEU 12 HG LEU 12 -1.395 -7.115 -2.762 62 HD11 LEU 12 1HD1 LEU 12 -0.083 -6.725 -5.446 63 HD12 LEU 12 2HD1 LEU 12 0.723 -6.983 -3.899 64 HD13 LEU 12 3HD1 LEU 12 -0.184 -5.499 -4.183 65 HD21 LEU 12 1HD2 LEU 12 -2.357 -5.770 -5.083 66 HD22 LEU 12 2HD2 LEU 12 -3.186 -6.076 -3.557 67 HD23 LEU 12 3HD2 LEU 12 -3.279 -7.258 -4.863 68 H LEU 13 H LEU 13 -2.091 -10.422 -1.664 69 HA LEU 13 HA LEU 13 -1.782 -8.497 0.341 70 HB2 LEU 13 1HB LEU 13 -3.722 -9.794 0.431 71 HB3 LEU 13 2HB LEU 13 -2.823 -11.306 0.326 72 HG LEU 13 HG LEU 13 -1.902 -10.485 2.677 73 HD11 LEU 13 1HD1 LEU 13 -4.663 -9.285 2.592 74 HD12 LEU 13 2HD1 LEU 13 -3.164 -8.357 2.557 75 HD13 LEU 13 3HD1 LEU 13 -3.564 -9.333 3.969 76 HD21 LEU 13 1HD2 LEU 13 -3.565 -12.443 1.816 77 HD22 LEU 13 2HD2 LEU 13 -4.627 -11.560 2.914 78 HD23 LEU 13 3HD2 LEU 13 -3.092 -12.206 3.499 79 H ARG 14 H ARG 14 -0.278 -11.691 -0.025 80 HA ARG 14 HA ARG 14 1.130 -11.770 2.372 81 HB2 ARG 14 1HB ARG 14 2.071 -12.866 -0.283 82 HB3 ARG 14 2HB ARG 14 2.567 -13.408 1.315 83 HG2 ARG 14 1HG ARG 14 -0.323 -13.503 0.649 84 HG3 ARG 14 2HG ARG 14 0.747 -14.695 -0.092 85 HD2 ARG 14 1HD ARG 14 0.085 -15.763 1.850 86 HD3 ARG 14 2HD ARG 14 1.624 -15.043 2.319 87 HE ARG 14 HE ARG 14 -0.224 -13.164 3.001 88 HH11 ARG 14 2HH1 ARG 14 0.207 -16.541 3.725 89 HH12 ARG 14 1HH1 ARG 14 -0.540 -16.437 5.285 90 HH21 ARG 14 2HH2 ARG 14 -1.209 -13.012 5.052 91 HH22 ARG 14 1HH2 ARG 14 -1.347 -14.428 6.038 92 H TRP 15 H TRP 15 2.305 -10.676 -0.814 93 HA TRP 15 HA TRP 15 4.831 -9.848 -0.061 94 HB2 TRP 15 1HB TRP 15 4.176 -9.932 -2.391 95 HB3 TRP 15 2HB TRP 15 2.982 -8.661 -2.141 96 HD1 TRP 15 HD TRP 15 6.828 -9.120 -2.054 97 HE1 TRP 15 1HE TRP 15 7.910 -6.877 -2.708 98 HE3 TRP 15 3HE TRP 15 2.607 -6.258 -2.419 99 HZ2 TRP 15 2HZ TRP 15 7.082 -4.244 -3.300 100 HZ3 TRP 15 3HZ TRP 15 2.839 -3.888 -3.033 101 HH2 TRP 15 HH TRP 15 5.031 -2.903 -3.464 102 H CYS 16 H CYS 16 1.808 -7.980 -0.025 103 HA CYS 16 HA CYS 16 2.921 -5.561 0.872 104 HB2 CYS 16 1HB CYS 16 0.139 -6.705 1.131 105 HB3 CYS 16 2HB CYS 16 0.559 -5.077 1.650 106 HG CYS 16 HG CYS 16 -0.370 -6.065 -1.291 107 H GLN 17 H GLN 17 1.504 -8.283 2.648 108 HA GLN 17 HA GLN 17 1.552 -7.235 5.210 109 HB2 GLN 17 1HB GLN 17 1.912 -10.046 4.194 110 HB3 GLN 17 2HB GLN 17 1.903 -9.679 5.914 111 HG2 GLN 17 1HG GLN 17 -0.337 -8.739 5.709 112 HG3 GLN 17 2HG GLN 17 -0.329 -9.091 3.982 113 HE21 GLN 17 1HE2 GLN 17 -2.120 -10.031 6.094 114 HE22 GLN 17 2HE2 GLN 17 -2.043 -11.756 6.049 115 H GLU 18 H GLU 18 4.160 -8.672 3.331 116 HA GLU 18 HA GLU 18 6.042 -8.754 5.465 117 HB2 GLU 18 1HB GLU 18 6.460 -8.758 2.471 118 HB3 GLU 18 2HB GLU 18 7.717 -9.079 3.657 119 HG2 GLU 18 1HG GLU 18 6.261 -10.976 4.485 120 HG3 GLU 18 2HG GLU 18 5.293 -10.733 3.033 121 H GLN 19 H GLN 19 5.379 -6.447 2.863 122 HA GLN 19 HA GLN 19 7.526 -4.702 3.458 123 HB2 GLN 19 1HB GLN 19 4.909 -4.089 2.076 124 HB3 GLN 19 2HB GLN 19 6.354 -3.088 2.033 125 HG2 GLN 19 1HG GLN 19 5.927 -5.787 0.797 126 HG3 GLN 19 2HG GLN 19 6.304 -4.262 -0.002 127 HE21 GLN 19 1HE2 GLN 19 7.643 -6.934 0.048 128 HE22 GLN 19 2HE2 GLN 19 9.283 -6.595 0.473 129 H THR 20 H THR 20 4.032 -4.324 4.078 130 HA THR 20 HA THR 20 4.219 -2.038 5.663 131 HB THR 20 HB THR 20 2.000 -2.739 6.607 132 HG1 THR 20 1HG THR 20 2.148 -4.912 4.787 133 HG21 THR 20 1HG2 THR 20 2.104 -1.421 4.568 134 HG22 THR 20 2HG2 THR 20 0.802 -2.607 4.450 135 HG23 THR 20 3HG2 THR 20 2.326 -2.883 3.608 136 H ALA 21 H ALA 21 5.019 -5.297 6.381 137 HA ALA 21 HA ALA 21 4.626 -5.405 9.141 138 HB1 ALA 21 1HB ALA 21 5.497 -7.431 8.887 139 HB2 ALA 21 2HB ALA 21 5.795 -7.034 7.194 140 HB3 ALA 21 3HB ALA 21 7.052 -6.758 8.400 141 H GLY 22 H GLY 22 5.589 -4.461 10.829 142 HA2 GLY 22 1HA GLY 22 7.724 -3.828 11.884 143 HA3 GLY 22 2HA GLY 22 8.161 -3.086 10.352 144 H TYR 23 H TYR 23 5.821 -1.736 9.738 145 HA TYR 23 HA TYR 23 6.133 0.643 11.173 146 HB2 TYR 23 1HB TYR 23 5.097 0.264 8.846 147 HB3 TYR 23 2HB TYR 23 3.600 -0.072 9.709 148 HD1 TYR 23 2HD TYR 23 3.279 1.836 11.716 149 HD2 TYR 23 1HD TYR 23 5.153 2.372 7.934 150 HE1 TYR 23 2HE TYR 23 2.796 4.245 11.825 151 HE2 TYR 23 1HE TYR 23 4.676 4.783 8.033 152 HH TYR 23 HH TYR 23 2.991 6.281 9.190 153 HA PRO 24 HA PRO 24 3.866 -0.349 14.863 154 HB2 PRO 24 1HB PRO 24 4.001 2.128 15.966 155 HB3 PRO 24 2HB PRO 24 5.367 1.006 15.954 156 HG2 PRO 24 1HG PRO 24 4.799 3.319 14.140 157 HG3 PRO 24 2HG PRO 24 6.332 2.832 14.886 158 HD2 PRO 24 1HD PRO 24 5.721 2.265 12.309 159 HD3 PRO 24 2HD PRO 24 6.724 1.196 13.309 160 H GLY 25 H GLY 25 1.758 -0.708 14.290 161 HA2 GLY 25 1HA GLY 25 -0.461 0.169 14.762 162 HA3 GLY 25 2HA GLY 25 0.062 1.696 14.067 163 H VAL 26 H VAL 26 1.135 -1.065 12.385 164 HA VAL 26 HA VAL 26 -1.041 -0.750 10.421 165 HB VAL 26 HB VAL 26 1.910 -1.120 9.930 166 HG11 VAL 26 1HG1 VAL 26 1.114 -1.091 7.468 167 HG12 VAL 26 2HG1 VAL 26 1.031 -2.601 8.376 168 HG13 VAL 26 3HG1 VAL 26 -0.426 -1.637 8.132 169 HG21 VAL 26 1HG2 VAL 26 1.932 1.008 9.188 170 HG22 VAL 26 2HG2 VAL 26 0.331 0.883 8.460 171 HG23 VAL 26 3HG2 VAL 26 0.493 1.166 10.193 172 H HIS 27 H HIS 27 -2.250 -2.525 10.446 173 HA HIS 27 HA HIS 27 -0.894 -5.136 10.488 174 HB2 HIS 27 1HB HIS 27 -3.136 -5.877 11.657 175 HB3 HIS 27 2HB HIS 27 -1.816 -5.194 12.602 176 HD1 HIS 27 1HD HIS 27 -2.214 -2.944 13.730 177 HD2 HIS 27 2HD HIS 27 -5.375 -4.167 11.329 178 HE1 HIS 27 1HE HIS 27 -4.108 -1.378 14.263 179 HE2 HIS 27 2HE HIS 27 -6.035 -2.191 12.860 180 H VAL 28 H VAL 28 -1.047 -5.297 8.239 181 HA VAL 28 HA VAL 28 -3.559 -4.997 6.881 182 HB VAL 28 HB VAL 28 -0.947 -6.184 5.933 183 HG11 VAL 28 1HG1 VAL 28 -2.177 -5.476 3.672 184 HG12 VAL 28 2HG1 VAL 28 -2.335 -7.085 4.379 185 HG13 VAL 28 3HG1 VAL 28 -3.594 -5.877 4.642 186 HG21 VAL 28 1HG2 VAL 28 -2.184 -3.460 5.545 187 HG22 VAL 28 2HG2 VAL 28 -0.725 -3.840 6.461 188 HG23 VAL 28 3HG2 VAL 28 -0.742 -4.040 4.709 189 H SER 29 H SER 29 -5.060 -6.427 7.644 190 HA SER 29 HA SER 29 -4.382 -9.269 7.735 191 HB2 SER 29 1HB SER 29 -6.605 -7.603 8.858 192 HB3 SER 29 2HB SER 29 -6.857 -9.334 8.627 193 HG SER 29 HG SER 29 -4.712 -8.178 10.087 194 H ASP 30 H ASP 30 -6.330 -6.972 5.970 195 HA ASP 30 HA ASP 30 -6.737 -8.909 3.861 196 HB2 ASP 30 1HB ASP 30 -9.094 -7.661 5.291 197 HB3 ASP 30 2HB ASP 30 -9.193 -8.565 3.782 198 H LEU 31 H LEU 31 -8.378 -7.697 2.189 199 HA LEU 31 HA LEU 31 -7.200 -5.023 1.817 200 HB2 LEU 31 1HB LEU 31 -8.100 -7.076 -0.191 201 HB3 LEU 31 2HB LEU 31 -7.712 -5.411 -0.618 202 HG LEU 31 HG LEU 31 -5.405 -5.869 0.370 203 HD11 LEU 31 1HD1 LEU 31 -6.614 -8.265 1.108 204 HD12 LEU 31 2HD1 LEU 31 -4.898 -7.866 1.197 205 HD13 LEU 31 3HD1 LEU 31 -5.540 -8.688 -0.225 206 HD21 LEU 31 1HD2 LEU 31 -5.982 -7.583 -2.016 207 HD22 LEU 31 2HD2 LEU 31 -4.592 -6.545 -1.697 208 HD23 LEU 31 3HD2 LEU 31 -6.153 -5.830 -2.101 209 H SER 32 H SER 32 -9.315 -4.986 3.422 210 HA SER 32 HA SER 32 -11.434 -3.872 1.718 211 HB2 SER 32 1HB SER 32 -12.036 -6.163 2.637 212 HB3 SER 32 2HB SER 32 -12.015 -5.431 4.241 213 HG SER 32 HG SER 32 -13.522 -4.198 2.235 214 H SER 33 H SER 33 -10.468 -4.170 5.140 215 HA SER 33 HA SER 33 -10.984 -1.281 5.429 216 HB2 SER 33 1HB SER 33 -11.456 -3.535 7.384 217 HB3 SER 33 2HB SER 33 -11.419 -1.841 7.874 218 HG SER 33 HG SER 33 -13.258 -3.170 6.206 219 H SER 34 H SER 34 -8.922 -3.996 6.265 220 HA SER 34 HA SER 34 -7.183 -2.979 8.083 221 HB2 SER 34 1HB SER 34 -6.845 -4.839 5.778 222 HB3 SER 34 2HB SER 34 -5.388 -4.255 6.580 223 HG SER 34 HG SER 34 -7.364 -5.964 7.503 224 H TRP 35 H TRP 35 -7.429 -2.110 4.704 225 HA TRP 35 HA TRP 35 -5.074 -0.390 4.893 226 HB2 TRP 35 1HB TRP 35 -6.866 -1.035 2.541 227 HB3 TRP 35 2HB TRP 35 -5.420 -0.032 2.468 228 HD1 TRP 35 HD TRP 35 -6.441 -3.693 3.168 229 HE1 TRP 35 1HE TRP 35 -4.445 -5.207 2.582 230 HE3 TRP 35 3HE TRP 35 -2.982 -0.088 2.086 231 HZ2 TRP 35 2HZ TRP 35 -1.758 -4.912 1.768 232 HZ3 TRP 35 3HZ TRP 35 -0.722 -0.788 1.412 233 HH2 TRP 35 HH TRP 35 -0.124 -3.151 1.258 234 H ALA 36 H ALA 36 -8.561 -0.231 4.661 235 HA ALA 36 HA ALA 36 -9.171 2.259 3.866 236 HB1 ALA 36 1HB ALA 36 -10.239 0.673 6.170 237 HB2 ALA 36 2HB ALA 36 -10.878 2.277 5.804 238 HB3 ALA 36 3HB ALA 36 -10.973 0.993 4.598 239 H ASP 37 H ASP 37 -7.981 1.479 7.129 240 HA ASP 37 HA ASP 37 -8.042 3.866 8.388 241 HB2 ASP 37 1HB ASP 37 -5.684 1.969 8.358 242 HB3 ASP 37 2HB ASP 37 -5.973 3.214 9.572 243 H GLY 38 H GLY 38 -5.608 2.889 5.996 244 HA2 GLY 38 1HA GLY 38 -4.925 4.646 4.404 245 HA3 GLY 38 2HA GLY 38 -4.844 5.736 5.780 246 H LEU 39 H LEU 39 -3.476 4.310 7.638 247 HA LEU 39 HA LEU 39 -0.845 4.734 7.098 248 HB2 LEU 39 1HB LEU 39 -2.279 2.927 8.961 249 HB3 LEU 39 2HB LEU 39 -0.547 2.674 8.759 250 HG LEU 39 HG LEU 39 -1.771 5.305 9.573 251 HD11 LEU 39 1HD1 LEU 39 -1.299 4.797 11.824 252 HD12 LEU 39 2HD1 LEU 39 -0.411 3.335 11.390 253 HD13 LEU 39 3HD1 LEU 39 -2.162 3.395 11.188 254 HD21 LEU 39 1HD2 LEU 39 0.671 4.860 8.525 255 HD22 LEU 39 2HD2 LEU 39 1.009 4.584 10.234 256 HD23 LEU 39 3HD2 LEU 39 0.326 6.123 9.707 257 H ALA 40 H ALA 40 -2.545 1.632 6.691 258 HA ALA 40 HA ALA 40 -0.683 -0.100 5.913 259 HB1 ALA 40 1HB ALA 40 -2.255 -1.196 4.541 260 HB2 ALA 40 2HB ALA 40 -3.201 -0.367 5.778 261 HB3 ALA 40 3HB ALA 40 -3.086 0.311 4.154 262 H LEU 41 H LEU 41 -2.175 2.011 3.450 263 HA LEU 41 HA LEU 41 -0.333 1.482 1.431 264 HB2 LEU 41 1HB LEU 41 -2.296 3.633 1.986 265 HB3 LEU 41 2HB LEU 41 -1.077 3.950 0.754 266 HG LEU 41 HG LEU 41 -2.901 1.554 0.691 267 HD11 LEU 41 1HD1 LEU 41 -3.282 4.026 -0.958 268 HD12 LEU 41 2HD1 LEU 41 -4.044 3.853 0.623 269 HD13 LEU 41 3HD1 LEU 41 -4.407 2.700 -0.662 270 HD21 LEU 41 1HD2 LEU 41 -0.774 1.462 -0.594 271 HD22 LEU 41 2HD2 LEU 41 -1.303 2.885 -1.491 272 HD23 LEU 41 3HD2 LEU 41 -2.219 1.381 -1.601 273 H CYS 42 H CYS 42 -0.255 3.853 4.028 274 HA CYS 42 HA CYS 42 1.905 5.392 3.109 275 HB2 CYS 42 1HB CYS 42 1.224 4.824 5.998 276 HB3 CYS 42 2HB CYS 42 2.076 6.226 5.361 277 HG CYS 42 HG CYS 42 -1.175 5.545 4.561 278 H ALA 43 H ALA 43 1.931 2.841 5.607 279 HA ALA 43 HA ALA 43 4.632 2.641 6.022 280 HB1 ALA 43 1HB ALA 43 3.343 1.352 7.447 281 HB2 ALA 43 2HB ALA 43 2.435 0.614 6.126 282 HB3 ALA 43 3HB ALA 43 4.106 0.133 6.424 283 H LEU 44 H LEU 44 2.744 0.882 3.569 284 HA LEU 44 HA LEU 44 4.787 -0.603 2.438 285 HB2 LEU 44 1HB LEU 44 2.569 -1.061 1.783 286 HB3 LEU 44 2HB LEU 44 2.302 0.600 1.257 287 HG LEU 44 HG LEU 44 4.020 0.131 -0.565 288 HD11 LEU 44 1HD1 LEU 44 4.420 -2.192 0.832 289 HD12 LEU 44 2HD1 LEU 44 4.919 -1.895 -0.833 290 HD13 LEU 44 3HD1 LEU 44 3.393 -2.717 -0.503 291 HD21 LEU 44 1HD2 LEU 44 1.837 -1.691 -1.184 292 HD22 LEU 44 2HD2 LEU 44 2.273 -0.151 -1.925 293 HD23 LEU 44 3HD2 LEU 44 1.287 -0.179 -0.462 294 H VAL 45 H VAL 45 3.712 2.675 1.587 295 HA VAL 45 HA VAL 45 5.488 3.109 -0.533 296 HB VAL 45 HB VAL 45 4.356 5.143 1.396 297 HG11 VAL 45 1HG1 VAL 45 4.947 5.948 -1.359 298 HG12 VAL 45 2HG1 VAL 45 5.244 6.793 0.161 299 HG13 VAL 45 3HG1 VAL 45 6.370 5.553 -0.394 300 HG21 VAL 45 1HG2 VAL 45 2.394 4.805 0.415 301 HG22 VAL 45 2HG2 VAL 45 3.104 5.185 -1.154 302 HG23 VAL 45 3HG2 VAL 45 3.099 3.521 -0.568 303 H TYR 46 H TYR 46 5.779 4.363 2.798 304 HA TYR 46 HA TYR 46 8.302 5.408 2.665 305 HB2 TYR 46 1HB TYR 46 6.987 3.960 4.969 306 HB3 TYR 46 2HB TYR 46 8.476 4.886 5.119 307 HD1 TYR 46 1HD TYR 46 8.228 7.352 3.987 308 HD2 TYR 46 2HD TYR 46 5.074 5.033 5.655 309 HE1 TYR 46 1HE TYR 46 6.919 9.403 4.350 310 HE2 TYR 46 2HE TYR 46 3.757 7.077 6.020 311 HH TYR 46 HH TYR 46 4.698 10.133 4.702 312 H ARG 47 H ARG 47 7.471 2.057 3.536 313 HA ARG 47 HA ARG 47 10.027 1.081 3.959 314 HB2 ARG 47 1HB ARG 47 7.434 -0.121 3.146 315 HB3 ARG 47 2HB ARG 47 8.876 -1.100 2.919 316 HG2 ARG 47 1HG ARG 47 8.373 0.221 5.548 317 HG3 ARG 47 2HG ARG 47 7.532 -1.272 5.127 318 HD2 ARG 47 1HD ARG 47 9.446 -2.523 5.165 319 HD3 ARG 47 2HD ARG 47 10.473 -1.160 4.724 320 HE ARG 47 HE ARG 47 9.539 -0.571 7.232 321 HH11 ARG 47 2HH1 ARG 47 11.326 -3.184 5.783 322 HH12 ARG 47 1HH1 ARG 47 12.198 -3.564 7.232 323 HH21 ARG 47 2HH2 ARG 47 10.680 -1.062 9.146 324 HH22 ARG 47 1HH2 ARG 47 11.829 -2.357 9.144 325 H LEU 48 H LEU 48 8.159 0.714 0.939 326 HA LEU 48 HA LEU 48 9.978 -0.385 -0.714 327 HB2 LEU 48 1HB LEU 48 7.955 1.762 -1.190 328 HB3 LEU 48 2HB LEU 48 9.016 1.252 -2.501 329 HG LEU 48 HG LEU 48 7.238 -0.648 -0.983 330 HD11 LEU 48 1HD1 LEU 48 6.106 1.294 -2.294 331 HD12 LEU 48 2HD1 LEU 48 5.539 -0.362 -2.515 332 HD13 LEU 48 3HD1 LEU 48 6.600 0.374 -3.715 333 HD21 LEU 48 1HD2 LEU 48 8.049 -2.252 -2.310 334 HD22 LEU 48 2HD2 LEU 48 9.364 -1.128 -2.650 335 HD23 LEU 48 3HD2 LEU 48 7.983 -1.225 -3.743 336 H GLN 49 H GLN 49 9.960 2.966 0.362 337 HA GLN 49 HA GLN 49 12.692 3.240 -0.677 338 HB2 GLN 49 1HB GLN 49 10.917 4.388 -2.128 339 HB3 GLN 49 2HB GLN 49 10.719 5.512 -0.790 340 HG2 GLN 49 1HG GLN 49 12.963 6.267 -0.987 341 HG3 GLN 49 2HG GLN 49 13.355 4.988 -2.134 342 HE21 GLN 49 1HE2 GLN 49 11.278 5.072 -3.864 343 HE22 GLN 49 2HE2 GLN 49 11.240 6.591 -4.684 344 HA PRO 50 HA PRO 50 12.805 4.309 3.740 345 HB2 PRO 50 1HB PRO 50 15.437 3.709 4.027 346 HB3 PRO 50 2HB PRO 50 14.162 2.485 4.077 347 HG2 PRO 50 1HG PRO 50 15.968 3.249 1.814 348 HG3 PRO 50 2HG PRO 50 15.475 1.633 2.356 349 HD2 PRO 50 1HD PRO 50 14.343 2.865 0.226 350 HD3 PRO 50 2HD PRO 50 13.440 1.757 1.279 351 H GLY 51 H GLY 51 14.124 5.666 0.965 352 HA2 GLY 51 1HA GLY 51 15.763 7.640 2.340 353 HA3 GLY 51 2HA GLY 51 15.527 7.506 0.604 354 H LEU 52 H LEU 52 12.574 7.383 0.963 355 HA LEU 52 HA LEU 52 12.047 10.147 0.685 356 HB2 LEU 52 1HB LEU 52 10.438 7.658 0.761 357 HB3 LEU 52 2HB LEU 52 9.593 9.176 1.060 358 HG LEU 52 HG LEU 52 11.316 8.920 -1.366 359 HD11 LEU 52 1HD1 LEU 52 10.146 7.062 -1.911 360 HD12 LEU 52 2HD1 LEU 52 8.941 8.257 -2.393 361 HD13 LEU 52 3HD1 LEU 52 8.806 7.451 -0.831 362 HD21 LEU 52 1HD2 LEU 52 9.050 10.585 -0.409 363 HD22 LEU 52 2HD2 LEU 52 9.180 10.279 -2.141 364 HD23 LEU 52 3HD2 LEU 52 10.512 11.051 -1.279 365 H LEU 53 H LEU 53 10.775 11.523 2.006 366 HA LEU 53 HA LEU 53 11.466 11.774 4.620 367 HB2 LEU 53 1HB LEU 53 9.761 13.340 4.864 368 HB3 LEU 53 2HB LEU 53 10.124 13.358 3.139 369 HG LEU 53 HG LEU 53 7.797 13.469 3.243 370 HD11 LEU 53 1HD1 LEU 53 7.949 10.513 3.053 371 HD12 LEU 53 2HD1 LEU 53 8.925 11.463 1.933 372 HD13 LEU 53 3HD1 LEU 53 7.175 11.681 1.982 373 HD21 LEU 53 1HD2 LEU 53 6.410 12.411 4.765 374 HD22 LEU 53 2HD2 LEU 53 7.847 12.749 5.730 375 HD23 LEU 53 3HD2 LEU 53 7.575 11.127 5.091 376 H GLU 54 H GLU 54 10.200 11.507 6.620 377 HA GLU 54 HA GLU 54 8.936 8.861 6.659 378 HB2 GLU 54 1HB GLU 54 10.350 10.519 8.720 379 HB3 GLU 54 2HB GLU 54 9.247 9.246 9.222 380 HG2 GLU 54 1HG GLU 54 10.567 7.567 8.267 381 HG3 GLU 54 2HG GLU 54 11.486 8.720 7.301 382 HA PRO 55 HA PRO 55 4.930 10.391 7.582 383 HB2 PRO 55 1HB PRO 55 4.013 8.523 9.326 384 HB3 PRO 55 2HB PRO 55 4.219 8.206 7.599 385 HG2 PRO 55 1HG PRO 55 6.022 7.501 9.883 386 HG3 PRO 55 2HG PRO 55 5.553 6.518 8.484 387 HD2 PRO 55 1HD PRO 55 7.931 7.804 8.630 388 HD3 PRO 55 2HD PRO 55 7.079 7.543 7.094 389 H SER 56 H SER 56 7.387 10.743 9.661 390 HA SER 56 HA SER 56 6.699 11.012 12.210 391 HB2 SER 56 1HB SER 56 7.882 13.362 10.720 392 HB3 SER 56 2HB SER 56 8.129 12.931 12.413 393 HG SER 56 HG SER 56 8.957 10.852 11.377 394 H GLU 57 H GLU 57 5.393 12.983 9.614 395 HA GLU 57 HA GLU 57 3.887 14.656 11.433 396 HB2 GLU 57 1HB GLU 57 3.748 14.484 8.418 397 HB3 GLU 57 2HB GLU 57 3.044 15.746 9.420 398 HG2 GLU 57 1HG GLU 57 5.986 15.161 9.172 399 HG3 GLU 57 2HG GLU 57 5.124 16.452 8.337 400 H LEU 58 H LEU 58 3.214 12.111 9.058 401 HA LEU 58 HA LEU 58 0.467 12.074 9.103 402 HB2 LEU 58 1HB LEU 58 2.564 10.020 8.693 403 HB3 LEU 58 2HB LEU 58 0.918 9.449 8.958 404 HG LEU 58 HG LEU 58 0.186 10.824 7.024 405 HD11 LEU 58 1HD1 LEU 58 1.583 12.505 6.512 406 HD12 LEU 58 2HD1 LEU 58 2.403 11.284 5.540 407 HD13 LEU 58 3HD1 LEU 58 2.995 11.667 7.157 408 HD21 LEU 58 1HD2 LEU 58 2.162 9.283 5.640 409 HD22 LEU 58 2HD2 LEU 58 0.438 8.967 5.836 410 HD23 LEU 58 3HD2 LEU 58 1.585 8.386 7.045 411 H GLN 59 H GLN 59 2.678 11.087 11.589 412 HA GLN 59 HA GLN 59 1.272 9.338 13.130 413 HB2 GLN 59 1HB GLN 59 3.124 11.583 13.803 414 HB3 GLN 59 2HB GLN 59 2.287 10.757 15.111 415 HG2 GLN 59 1HG GLN 59 3.228 8.630 14.384 416 HG3 GLN 59 2HG GLN 59 4.055 9.447 13.058 417 HE21 GLN 59 1HE2 GLN 59 4.344 8.332 16.169 418 HE22 GLN 59 2HE2 GLN 59 5.755 9.209 16.646 419 H GLY 60 H GLY 60 0.785 12.833 12.915 420 HA2 GLY 60 1HA GLY 60 -1.730 12.471 14.426 421 HA3 GLY 60 2HA GLY 60 -0.712 13.892 14.618 422 H LEU 61 H LEU 61 -1.974 12.103 11.802 423 HA LEU 61 HA LEU 61 -2.908 14.679 10.725 424 HB2 LEU 61 1HB LEU 61 -1.736 12.253 9.485 425 HB3 LEU 61 2HB LEU 61 -2.963 13.122 8.566 426 HG LEU 61 HG LEU 61 -0.293 14.160 9.500 427 HD11 LEU 61 1HD1 LEU 61 -1.406 14.002 6.713 428 HD12 LEU 61 2HD1 LEU 61 -0.456 12.707 7.438 429 HD13 LEU 61 3HD1 LEU 61 0.258 14.302 7.212 430 HD21 LEU 61 1HD2 LEU 61 -2.725 15.586 8.524 431 HD22 LEU 61 2HD2 LEU 61 -1.129 16.186 8.074 432 HD23 LEU 61 3HD2 LEU 61 -1.574 16.050 9.776 433 H GLY 62 H GLY 62 -3.735 11.229 10.298 434 HA2 GLY 62 1HA GLY 62 -6.126 10.927 11.391 435 HA3 GLY 62 2HA GLY 62 -6.547 11.977 10.046 436 H ALA 63 H ALA 63 -7.694 9.496 10.277 437 HA ALA 63 HA ALA 63 -6.428 7.366 9.020 438 HB1 ALA 63 1HB ALA 63 -8.416 6.340 9.175 439 HB2 ALA 63 2HB ALA 63 -8.895 7.774 10.083 440 HB3 ALA 63 3HB ALA 63 -9.272 7.653 8.365 441 H LEU 64 H LEU 64 -8.388 9.962 7.580 442 HA LEU 64 HA LEU 64 -7.976 9.014 4.904 443 HB2 LEU 64 1HB LEU 64 -9.876 10.517 5.977 444 HB3 LEU 64 2HB LEU 64 -8.806 11.815 5.452 445 HG LEU 64 HG LEU 64 -9.007 11.124 3.157 446 HD11 LEU 64 1HD1 LEU 64 -9.335 8.981 2.690 447 HD12 LEU 64 2HD1 LEU 64 -11.026 9.198 3.143 448 HD13 LEU 64 3HD1 LEU 64 -9.856 8.643 4.341 449 HD21 LEU 64 1HD2 LEU 64 -11.219 11.767 2.762 450 HD22 LEU 64 2HD2 LEU 64 -10.831 12.493 4.321 451 HD23 LEU 64 3HD2 LEU 64 -11.800 11.020 4.249 452 H GLU 65 H GLU 65 -6.878 11.906 6.682 453 HA GLU 65 HA GLU 65 -5.301 13.138 4.874 454 HB2 GLU 65 1HB GLU 65 -4.738 12.623 7.792 455 HB3 GLU 65 2HB GLU 65 -3.741 13.684 6.806 456 HG2 GLU 65 1HG GLU 65 -6.597 14.032 7.633 457 HG3 GLU 65 2HG GLU 65 -5.227 15.107 7.904 458 H ALA 66 H ALA 66 -4.466 10.209 6.662 459 HA ALA 66 HA ALA 66 -1.795 9.988 5.843 460 HB1 ALA 66 1HB ALA 66 -3.284 8.621 7.572 461 HB2 ALA 66 2HB ALA 66 -3.363 7.501 6.212 462 HB3 ALA 66 3HB ALA 66 -1.799 7.967 6.880 463 H THR 67 H THR 67 -4.507 8.013 4.629 464 HA THR 67 HA THR 67 -3.370 6.817 2.495 465 HB THR 67 HB THR 67 -6.098 8.089 2.264 466 HG1 THR 67 1HG THR 67 -6.097 7.025 4.225 467 HG21 THR 67 1HG2 THR 67 -5.240 5.382 1.286 468 HG22 THR 67 2HG2 THR 67 -4.967 6.833 0.321 469 HG23 THR 67 3HG2 THR 67 -6.608 6.365 0.766 470 H ALA 68 H ALA 68 -4.429 10.174 2.644 471 HA ALA 68 HA ALA 68 -4.260 10.888 -0.025 472 HB1 ALA 68 1HB ALA 68 -3.272 12.757 2.086 473 HB2 ALA 68 2HB ALA 68 -4.273 13.089 0.673 474 HB3 ALA 68 3HB ALA 68 -4.964 12.261 2.067 475 H TRP 69 H TRP 69 -1.677 11.110 2.425 476 HA TRP 69 HA TRP 69 0.348 11.994 0.728 477 HB2 TRP 69 1HB TRP 69 0.641 12.062 3.120 478 HB3 TRP 69 2HB TRP 69 0.502 10.310 3.233 479 HD1 TRP 69 HD TRP 69 2.967 13.062 2.263 480 HE1 TRP 69 1HE TRP 69 5.322 12.039 2.092 481 HE3 TRP 69 3HE TRP 69 1.742 8.121 2.741 482 HZ2 TRP 69 2HZ TRP 69 6.505 9.476 2.151 483 HZ3 TRP 69 3HZ TRP 69 3.545 6.448 2.672 484 HH2 TRP 69 HH TRP 69 5.876 7.113 2.382 485 H ALA 70 H ALA 70 -0.122 8.654 1.902 486 HA ALA 70 HA ALA 70 1.725 7.281 0.521 487 HB1 ALA 70 1HB ALA 70 -1.084 6.244 0.478 488 HB2 ALA 70 2HB ALA 70 0.426 5.369 0.737 489 HB3 ALA 70 3HB ALA 70 -0.209 6.424 2.000 490 H LEU 71 H LEU 71 -1.493 8.011 -0.844 491 HA LEU 71 HA LEU 71 -1.019 7.030 -3.405 492 HB2 LEU 71 1HB LEU 71 -2.837 9.187 -2.377 493 HB3 LEU 71 2HB LEU 71 -2.804 8.731 -4.079 494 HG LEU 71 HG LEU 71 -3.279 6.630 -2.007 495 HD11 LEU 71 1HD1 LEU 71 -5.505 7.132 -1.717 496 HD12 LEU 71 2HD1 LEU 71 -5.581 8.136 -3.163 497 HD13 LEU 71 3HD1 LEU 71 -4.782 8.741 -1.713 498 HD21 LEU 71 1HD2 LEU 71 -3.578 5.404 -3.829 499 HD22 LEU 71 2HD2 LEU 71 -3.283 6.815 -4.846 500 HD23 LEU 71 3HD2 LEU 71 -4.921 6.443 -4.307 501 H LYS 72 H LYS 72 -0.146 10.083 -1.946 502 HA LYS 72 HA LYS 72 0.547 11.404 -4.378 503 HB2 LYS 72 1HB LYS 72 0.029 12.397 -2.021 504 HB3 LYS 72 2HB LYS 72 1.738 12.115 -1.718 505 HG2 LYS 72 1HG LYS 72 2.245 13.480 -3.744 506 HG3 LYS 72 2HG LYS 72 0.526 13.875 -3.837 507 HD2 LYS 72 1HD LYS 72 2.016 14.327 -1.286 508 HD3 LYS 72 2HD LYS 72 2.177 15.483 -2.609 509 HE2 LYS 72 1HE LYS 72 -0.438 14.596 -1.397 510 HE3 LYS 72 2HE LYS 72 0.407 16.089 -0.988 511 HZ1 LYS 72 1HZ LYS 72 -0.303 17.081 -2.841 512 HZ2 LYS 72 2HZ LYS 72 -1.453 15.843 -2.923 513 HZ3 LYS 72 3HZ LYS 72 -0.019 15.725 -3.813 514 H VAL 73 H VAL 73 2.715 10.488 -1.702 515 HA VAL 73 HA VAL 73 5.097 10.642 -3.063 516 HB VAL 73 HB VAL 73 4.304 8.786 -0.823 517 HG11 VAL 73 1HG1 VAL 73 6.938 9.146 -2.199 518 HG12 VAL 73 2HG1 VAL 73 6.864 8.698 -0.495 519 HG13 VAL 73 3HG1 VAL 73 6.128 7.657 -1.713 520 HG21 VAL 73 1HG2 VAL 73 4.259 10.915 0.053 521 HG22 VAL 73 2HG2 VAL 73 5.935 10.457 0.354 522 HG23 VAL 73 3HG2 VAL 73 5.537 11.497 -1.013 523 H ALA 74 H ALA 74 2.667 8.169 -3.241 524 HA ALA 74 HA ALA 74 4.359 6.214 -4.504 525 HB1 ALA 74 1HB ALA 74 2.194 5.025 -4.916 526 HB2 ALA 74 2HB ALA 74 2.527 5.391 -3.223 527 HB3 ALA 74 3HB ALA 74 1.376 6.374 -4.128 528 H GLU 75 H GLU 75 2.289 8.818 -5.528 529 HA GLU 75 HA GLU 75 2.322 7.948 -8.304 530 HB2 GLU 75 1HB GLU 75 0.266 8.929 -7.409 531 HB3 GLU 75 2HB GLU 75 1.129 10.409 -7.015 532 HG2 GLU 75 1HG GLU 75 1.141 9.447 -9.829 533 HG3 GLU 75 2HG GLU 75 -0.311 10.217 -9.192 534 H ASN 76 H ASN 76 4.073 10.019 -6.197 535 HA ASN 76 HA ASN 76 5.225 11.574 -8.372 536 HB2 ASN 76 1HB ASN 76 5.453 11.677 -5.374 537 HB3 ASN 76 2HB ASN 76 6.576 12.564 -6.399 538 HD21 ASN 76 1HD2 ASN 76 4.064 13.063 -4.561 539 HD22 ASN 76 2HD2 ASN 76 3.226 14.294 -5.436 540 H GLU 77 H GLU 77 6.613 9.753 -5.632 541 HA GLU 77 HA GLU 77 9.114 9.406 -6.971 542 HB2 GLU 77 1HB GLU 77 7.937 8.571 -4.372 543 HB3 GLU 77 2HB GLU 77 9.298 7.636 -4.974 544 HG2 GLU 77 1HG GLU 77 9.213 10.559 -4.301 545 HG3 GLU 77 2HG GLU 77 10.190 9.293 -3.557 546 H LEU 78 H LEU 78 6.909 6.904 -5.710 547 HA LEU 78 HA LEU 78 7.955 4.832 -7.280 548 HB2 LEU 78 1HB LEU 78 5.107 4.882 -6.356 549 HB3 LEU 78 2HB LEU 78 6.203 3.508 -6.492 550 HG LEU 78 HG LEU 78 6.283 5.676 -4.397 551 HD11 LEU 78 1HD1 LEU 78 6.109 3.110 -3.280 552 HD12 LEU 78 2HD1 LEU 78 4.918 3.162 -4.579 553 HD13 LEU 78 3HD1 LEU 78 4.873 4.369 -3.294 554 HD21 LEU 78 1HD2 LEU 78 8.320 5.006 -3.758 555 HD22 LEU 78 2HD2 LEU 78 8.451 4.342 -5.386 556 HD23 LEU 78 3HD2 LEU 78 7.958 3.305 -4.047 557 H GLY 79 H GLY 79 5.495 7.224 -7.935 558 HA2 GLY 79 1HA GLY 79 4.676 7.882 -10.006 559 HA3 GLY 79 2HA GLY 79 5.561 6.554 -10.743 560 H ILE 80 H ILE 80 3.984 5.107 -8.320 561 HA ILE 80 HA ILE 80 2.166 3.749 -9.953 562 HB ILE 80 HB ILE 80 2.011 4.066 -6.954 563 HG12 ILE 80 1HG1 ILE 80 4.224 3.258 -7.773 564 HG13 ILE 80 2HG1 ILE 80 3.365 2.068 -6.802 565 HG21 ILE 80 1HG2 ILE 80 -0.028 3.160 -7.848 566 HG22 ILE 80 2HG2 ILE 80 0.869 1.998 -8.823 567 HG23 ILE 80 3HG2 ILE 80 0.875 1.864 -7.064 568 HD11 ILE 80 1HD1 ILE 80 2.733 0.847 -8.763 569 HD12 ILE 80 2HD1 ILE 80 3.416 2.095 -9.808 570 HD13 ILE 80 3HD1 ILE 80 4.475 1.119 -8.789 571 H THR 81 H THR 81 1.024 5.402 -11.085 572 HA THR 81 HA THR 81 -0.420 7.502 -10.172 573 HB THR 81 HB THR 81 -1.349 5.505 -12.245 574 HG1 THR 81 1HG THR 81 0.372 6.357 -13.178 575 HG21 THR 81 1HG2 THR 81 -3.017 7.239 -11.185 576 HG22 THR 81 2HG2 THR 81 -2.982 6.978 -12.929 577 HG23 THR 81 3HG2 THR 81 -2.165 8.375 -12.228 578 HA PRO 82 HA PRO 82 -3.395 5.935 -7.313 579 HB2 PRO 82 1HB PRO 82 -5.066 8.073 -7.288 580 HB3 PRO 82 2HB PRO 82 -3.491 8.076 -6.487 581 HG2 PRO 82 1HG PRO 82 -4.264 9.209 -9.147 582 HG3 PRO 82 2HG PRO 82 -3.237 9.915 -7.887 583 HD2 PRO 82 1HD PRO 82 -2.220 8.712 -10.089 584 HD3 PRO 82 2HD PRO 82 -1.396 8.678 -8.517 585 H VAL 83 H VAL 83 -4.513 4.259 -8.202 586 HA VAL 83 HA VAL 83 -6.345 4.662 -10.400 587 HB VAL 83 HB VAL 83 -4.912 2.546 -9.872 588 HG11 VAL 83 1HG1 VAL 83 -5.676 1.017 -8.369 589 HG12 VAL 83 2HG1 VAL 83 -6.234 2.487 -7.567 590 HG13 VAL 83 3HG1 VAL 83 -7.355 1.528 -8.533 591 HG21 VAL 83 1HG2 VAL 83 -7.504 1.501 -10.585 592 HG22 VAL 83 2HG2 VAL 83 -7.198 3.039 -11.394 593 HG23 VAL 83 3HG2 VAL 83 -6.063 1.703 -11.581 594 H VAL 84 H VAL 84 -6.492 4.420 -6.933 595 HA VAL 84 HA VAL 84 -9.432 4.591 -7.071 596 HB VAL 84 HB VAL 84 -7.685 3.342 -4.954 597 HG11 VAL 84 1HG1 VAL 84 -9.466 4.726 -3.932 598 HG12 VAL 84 2HG1 VAL 84 -10.665 3.787 -4.824 599 HG13 VAL 84 3HG1 VAL 84 -9.655 3.003 -3.609 600 HG21 VAL 84 1HG2 VAL 84 -8.063 1.707 -6.532 601 HG22 VAL 84 2HG2 VAL 84 -9.432 1.462 -5.449 602 HG23 VAL 84 3HG2 VAL 84 -9.652 2.338 -6.963 603 H SER 85 H SER 85 -10.483 5.988 -5.595 604 HA SER 85 HA SER 85 -8.958 8.367 -5.004 605 HB2 SER 85 1HB SER 85 -11.884 7.707 -4.602 606 HB3 SER 85 2HB SER 85 -11.165 9.286 -4.286 607 HG SER 85 HG SER 85 -11.406 9.676 -6.325 608 H ALA 86 H ALA 86 -8.083 8.884 -3.111 609 HA ALA 86 HA ALA 86 -7.610 7.318 -1.002 610 HB1 ALA 86 1HB ALA 86 -6.715 9.147 -0.105 611 HB2 ALA 86 2HB ALA 86 -7.355 10.031 -1.491 612 HB3 ALA 86 3HB ALA 86 -8.283 9.947 0.006 613 H GLN 87 H GLN 87 -10.536 9.307 -1.329 614 HA GLN 87 HA GLN 87 -11.707 8.634 1.123 615 HB2 GLN 87 1HB GLN 87 -12.400 10.458 -0.526 616 HB3 GLN 87 2HB GLN 87 -13.262 9.195 -1.395 617 HG2 GLN 87 1HG GLN 87 -13.764 9.540 1.518 618 HG3 GLN 87 2HG GLN 87 -14.474 10.685 0.380 619 HE21 GLN 87 1HE2 GLN 87 -16.441 9.711 1.391 620 HE22 GLN 87 2HE2 GLN 87 -17.108 8.309 0.633 621 H ALA 88 H ALA 88 -12.144 7.182 -2.094 622 HA ALA 88 HA ALA 88 -14.037 5.268 -1.476 623 HB1 ALA 88 1HB ALA 88 -13.352 4.101 -3.432 624 HB2 ALA 88 2HB ALA 88 -13.135 5.823 -3.750 625 HB3 ALA 88 3HB ALA 88 -11.740 4.815 -3.368 626 H VAL 89 H VAL 89 -10.499 4.997 -1.249 627 HA VAL 89 HA VAL 89 -10.344 2.345 -0.419 628 HB VAL 89 HB VAL 89 -8.542 4.650 0.333 629 HG11 VAL 89 1HG1 VAL 89 -8.221 2.820 1.878 630 HG12 VAL 89 2HG1 VAL 89 -8.094 1.675 0.541 631 HG13 VAL 89 3HG1 VAL 89 -6.851 2.905 0.771 632 HG21 VAL 89 1HG2 VAL 89 -8.715 4.306 -2.073 633 HG22 VAL 89 2HG2 VAL 89 -7.123 3.825 -1.488 634 HG23 VAL 89 3HG2 VAL 89 -8.330 2.597 -1.869 635 H VAL 90 H VAL 90 -10.228 5.246 1.658 636 HA VAL 90 HA VAL 90 -10.431 3.824 4.086 637 HB VAL 90 HB VAL 90 -11.166 6.700 3.518 638 HG11 VAL 90 1HG1 VAL 90 -10.501 5.383 6.148 639 HG12 VAL 90 2HG1 VAL 90 -10.940 7.073 5.890 640 HG13 VAL 90 3HG1 VAL 90 -12.129 5.799 5.613 641 HG21 VAL 90 1HG2 VAL 90 -8.744 6.496 4.934 642 HG22 VAL 90 2HG2 VAL 90 -8.642 5.350 3.597 643 HG23 VAL 90 3HG2 VAL 90 -8.985 7.050 3.277 644 H ALA 91 H ALA 91 -12.888 5.930 2.576 645 HA ALA 91 HA ALA 91 -15.051 5.472 4.097 646 HB1 ALA 91 1HB ALA 91 -14.789 6.728 1.820 647 HB2 ALA 91 2HB ALA 91 -15.458 5.238 1.151 648 HB3 ALA 91 3HB ALA 91 -16.373 6.158 2.345 649 H GLY 92 H GLY 92 -13.855 3.251 1.599 650 HA2 GLY 92 1HA GLY 92 -13.991 0.911 1.678 651 HA3 GLY 92 2HA GLY 92 -15.158 1.045 2.986 652 H SER 93 H SER 93 -15.210 2.541 -0.229 653 HA SER 93 HA SER 93 -17.838 1.305 -0.660 654 HB2 SER 93 1HB SER 93 -18.022 3.654 -0.856 655 HB3 SER 93 2HB SER 93 -16.530 3.776 -1.787 656 HG SER 93 HG SER 93 -18.802 3.785 -2.842 657 H ASP 94 H ASP 94 -14.755 1.937 -2.293 658 HA ASP 94 HA ASP 94 -15.452 -0.123 -4.277 659 HB2 ASP 94 1HB ASP 94 -13.260 1.942 -4.513 660 HB3 ASP 94 2HB ASP 94 -13.902 0.907 -5.787 661 HA PRO 95 HA PRO 95 -12.340 -2.221 -1.644 662 HB2 PRO 95 1HB PRO 95 -13.368 -4.700 -2.050 663 HB3 PRO 95 2HB PRO 95 -13.989 -3.593 -0.820 664 HG2 PRO 95 1HG PRO 95 -15.054 -4.175 -3.556 665 HG3 PRO 95 2HG PRO 95 -15.936 -3.989 -2.029 666 HD2 PRO 95 1HD PRO 95 -15.776 -2.008 -3.869 667 HD3 PRO 95 2HD PRO 95 -15.869 -1.687 -2.125 668 H LEU 96 H LEU 96 -13.585 -3.178 -4.826 669 HA LEU 96 HA LEU 96 -11.434 -4.824 -5.571 670 HB2 LEU 96 1HB LEU 96 -13.465 -3.268 -7.137 671 HB3 LEU 96 2HB LEU 96 -12.211 -4.213 -7.936 672 HG LEU 96 HG LEU 96 -13.148 -6.167 -6.480 673 HD11 LEU 96 1HD1 LEU 96 -15.807 -5.506 -6.608 674 HD12 LEU 96 2HD1 LEU 96 -15.064 -4.023 -6.011 675 HD13 LEU 96 3HD1 LEU 96 -14.823 -5.541 -5.146 676 HD21 LEU 96 1HD2 LEU 96 -13.252 -5.746 -9.017 677 HD22 LEU 96 2HD2 LEU 96 -14.916 -5.241 -8.718 678 HD23 LEU 96 3HD2 LEU 96 -14.404 -6.878 -8.307 679 H GLY 97 H GLY 97 -12.068 -1.390 -6.279 680 HA2 GLY 97 1HA GLY 97 -9.935 -0.752 -7.853 681 HA3 GLY 97 2HA GLY 97 -10.584 0.337 -6.636 682 H LEU 98 H LEU 98 -9.883 -0.754 -4.289 683 HA LEU 98 HA LEU 98 -7.238 -0.005 -3.939 684 HB2 LEU 98 1HB LEU 98 -8.788 -0.110 -2.097 685 HB3 LEU 98 2HB LEU 98 -8.945 -1.856 -2.283 686 HG LEU 98 HG LEU 98 -6.589 -2.111 -1.597 687 HD11 LEU 98 1HD1 LEU 98 -5.853 0.137 -2.354 688 HD12 LEU 98 2HD1 LEU 98 -5.341 -0.265 -0.715 689 HD13 LEU 98 3HD1 LEU 98 -6.697 0.834 -0.972 690 HD21 LEU 98 1HD2 LEU 98 -7.001 -1.918 0.684 691 HD22 LEU 98 2HD2 LEU 98 -8.617 -2.044 -0.011 692 HD23 LEU 98 3HD2 LEU 98 -7.989 -0.471 0.484 693 H ILE 99 H ILE 99 -8.557 -3.314 -4.072 694 HA ILE 99 HA ILE 99 -6.217 -4.744 -3.815 695 HB ILE 99 HB ILE 99 -8.554 -5.423 -5.605 696 HG12 ILE 99 1HG1 ILE 99 -8.031 -6.430 -2.812 697 HG13 ILE 99 2HG1 ILE 99 -8.966 -4.969 -3.113 698 HG21 ILE 99 1HG2 ILE 99 -6.351 -6.674 -5.941 699 HG22 ILE 99 2HG2 ILE 99 -6.650 -7.373 -4.351 700 HG23 ILE 99 3HG2 ILE 99 -7.800 -7.639 -5.661 701 HD11 ILE 99 1HD1 ILE 99 -10.477 -6.359 -4.552 702 HD12 ILE 99 2HD1 ILE 99 -9.617 -7.777 -3.950 703 HD13 ILE 99 3HD1 ILE 99 -10.503 -6.741 -2.831 704 H ALA 100 H ALA 100 -7.630 -3.410 -6.785 705 HA ALA 100 HA ALA 100 -5.570 -4.388 -8.493 706 HB1 ALA 100 1HB ALA 100 -6.546 -2.666 -10.100 707 HB2 ALA 100 2HB ALA 100 -7.623 -3.945 -9.538 708 HB3 ALA 100 3HB ALA 100 -7.730 -2.330 -8.836 709 H TYR 101 H TYR 101 -5.938 -1.574 -6.500 710 HA TYR 101 HA TYR 101 -4.013 0.067 -7.793 711 HB2 TYR 101 1HB TYR 101 -5.690 1.019 -6.296 712 HB3 TYR 101 2HB TYR 101 -5.026 0.111 -4.942 713 HD1 TYR 101 1HD TYR 101 -3.393 2.158 -7.606 714 HD2 TYR 101 2HD TYR 101 -4.099 1.611 -3.447 715 HE1 TYR 101 1HE TYR 101 -1.871 4.026 -7.109 716 HE2 TYR 101 2HE TYR 101 -2.581 3.479 -2.937 717 HH TYR 101 HH TYR 101 -0.825 4.734 -3.885 718 H LEU 102 H LEU 102 -3.861 -2.195 -5.074 719 HA LEU 102 HA LEU 102 -1.163 -1.695 -4.396 720 HB2 LEU 102 1HB LEU 102 -2.885 -4.128 -3.956 721 HB3 LEU 102 2HB LEU 102 -1.297 -3.885 -3.231 722 HG LEU 102 HG LEU 102 -3.657 -2.071 -2.753 723 HD11 LEU 102 1HD1 LEU 102 -3.752 -4.573 -1.967 724 HD12 LEU 102 2HD1 LEU 102 -4.247 -3.265 -0.892 725 HD13 LEU 102 3HD1 LEU 102 -2.651 -3.994 -0.715 726 HD21 LEU 102 1HD2 LEU 102 -1.979 -0.763 -2.030 727 HD22 LEU 102 2HD2 LEU 102 -0.835 -2.102 -1.937 728 HD23 LEU 102 3HD2 LEU 102 -1.989 -1.834 -0.629 729 H SER 103 H SER 103 -2.701 -4.036 -6.552 730 HA SER 103 HA SER 103 -0.653 -5.719 -7.171 731 HB2 SER 103 1HB SER 103 -2.714 -4.500 -9.013 732 HB3 SER 103 2HB SER 103 -1.639 -5.809 -9.501 733 HG SER 103 HG SER 103 -3.691 -6.538 -8.714 734 H HIS 104 H HIS 104 -1.070 -2.401 -8.253 735 HA HIS 104 HA HIS 104 0.951 -2.367 -10.210 736 HB2 HIS 104 1HB HIS 104 -0.003 -0.075 -8.482 737 HB3 HIS 104 2HB HIS 104 0.864 0.065 -10.009 738 HD1 HIS 104 1HD HIS 104 -1.209 1.472 -10.856 739 HD2 HIS 104 2HD HIS 104 -1.989 -2.523 -10.028 740 HE1 HIS 104 1HE HIS 104 -3.419 0.979 -11.947 741 HE2 HIS 104 2HE HIS 104 -3.911 -1.421 -11.362 742 H PHE 105 H PHE 105 1.018 -1.810 -6.731 743 HA PHE 105 HA PHE 105 3.685 -0.883 -6.590 744 HB2 PHE 105 1HB PHE 105 1.796 -2.083 -4.579 745 HB3 PHE 105 2HB PHE 105 3.457 -1.693 -4.145 746 HD1 PHE 105 1HD PHE 105 0.326 -0.227 -5.479 747 HD2 PHE 105 2HD PHE 105 4.059 0.484 -3.566 748 HE1 PHE 105 1HE PHE 105 -0.339 2.103 -5.057 749 HE2 PHE 105 2HE PHE 105 3.401 2.816 -3.139 750 HZ PHE 105 HZ PHE 105 1.199 3.628 -3.884 751 H HIS 106 H HIS 106 2.262 -4.101 -6.085 752 HA HIS 106 HA HIS 106 4.746 -5.387 -5.582 753 HB2 HIS 106 1HB HIS 106 2.494 -6.252 -4.880 754 HB3 HIS 106 2HB HIS 106 2.186 -6.664 -6.564 755 HD1 HIS 106 1HD HIS 106 2.206 -9.163 -6.453 756 HD2 HIS 106 2HD HIS 106 5.533 -7.467 -4.631 757 HE1 HIS 106 1HE HIS 106 3.723 -11.090 -5.896 758 HE2 HIS 106 2HE HIS 106 5.691 -10.048 -4.718 759 H SER 107 H SER 107 2.553 -5.743 -8.378 760 HA SER 107 HA SER 107 4.111 -7.167 -10.071 761 HB2 SER 107 1HB SER 107 2.332 -4.818 -10.755 762 HB3 SER 107 2HB SER 107 2.998 -5.927 -11.954 763 HG SER 107 HG SER 107 1.116 -6.438 -9.918 764 H ALA 108 H ALA 108 4.623 -3.891 -9.071 765 HA ALA 108 HA ALA 108 6.703 -3.482 -11.088 766 HB1 ALA 108 1HB ALA 108 5.038 -1.688 -10.624 767 HB2 ALA 108 2HB ALA 108 5.726 -1.535 -9.007 768 HB3 ALA 108 3HB ALA 108 6.717 -1.183 -10.423 769 H PHE 109 H PHE 109 6.273 -4.066 -7.680 770 HA PHE 109 HA PHE 109 9.201 -4.020 -7.346 771 HB2 PHE 109 1HB PHE 109 7.036 -3.238 -5.394 772 HB3 PHE 109 2HB PHE 109 8.694 -3.561 -4.898 773 HD1 PHE 109 1HD PHE 109 6.653 -1.418 -7.137 774 HD2 PHE 109 2HD PHE 109 10.305 -1.887 -5.001 775 HE1 PHE 109 1HE PHE 109 7.257 0.908 -7.666 776 HE2 PHE 109 2HE PHE 109 10.914 0.438 -5.525 777 HZ PHE 109 HZ PHE 109 9.389 1.839 -6.858 778 H LYS 110 H LYS 110 7.913 -6.278 -8.282 779 HA LYS 110 HA LYS 110 7.885 -8.063 -5.938 780 HB2 LYS 110 1HB LYS 110 6.460 -9.550 -7.147 781 HB3 LYS 110 2HB LYS 110 5.779 -7.936 -7.303 782 HG2 LYS 110 1HG LYS 110 6.245 -7.800 -9.532 783 HG3 LYS 110 2HG LYS 110 7.628 -8.890 -9.422 784 HD2 LYS 110 1HD LYS 110 5.962 -10.737 -8.945 785 HD3 LYS 110 2HD LYS 110 4.702 -9.596 -9.419 786 HE2 LYS 110 1HE LYS 110 5.154 -10.799 -11.371 787 HE3 LYS 110 2HE LYS 110 6.046 -9.292 -11.573 788 HZ1 LYS 110 1HZ LYS 110 7.186 -11.556 -12.061 789 HZ2 LYS 110 2HZ LYS 110 7.400 -11.613 -10.384 790 HZ3 LYS 110 3HZ LYS 110 8.052 -10.332 -11.277 791 H SER 111 H SER 111 10.170 -7.043 -7.641 792 HA SER 111 HA SER 111 11.226 -8.891 -9.361 793 HB2 SER 111 1HB SER 111 12.653 -7.221 -7.283 794 HB3 SER 111 2HB SER 111 13.481 -8.113 -8.559 795 HG SER 111 HG SER 111 11.747 -6.817 -9.877 796 H GLY 112 H GLY 112 11.797 -10.957 -9.225 797 HA2 GLY 112 1HA GLY 112 13.317 -12.438 -7.774 798 HA3 GLY 112 2HA GLY 112 12.102 -12.135 -6.542 799 HA PRO 113 HA PRO 113 11.064 -15.920 -9.187 800 HB2 PRO 113 1HB PRO 113 11.424 -17.797 -7.259 801 HB3 PRO 113 2HB PRO 113 12.717 -17.277 -8.347 802 HG2 PRO 113 1HG PRO 113 12.160 -16.434 -5.530 803 HG3 PRO 113 2HG PRO 113 13.709 -16.827 -6.294 804 HD2 PRO 113 1HD PRO 113 12.884 -14.279 -5.902 805 HD3 PRO 113 2HD PRO 113 13.891 -14.755 -7.285 806 H SER 114 H SER 114 9.470 -17.740 -8.365 807 HA SER 114 HA SER 114 7.264 -16.319 -7.086 808 HB2 SER 114 1HB SER 114 7.060 -17.608 -9.302 809 HB3 SER 114 2HB SER 114 7.115 -19.068 -8.314 810 HG SER 114 HG SER 114 5.085 -17.267 -8.668 811 H SER 115 H SER 115 6.411 -16.847 -5.153 812 HA SER 115 HA SER 115 7.319 -19.306 -3.834 813 HB2 SER 115 1HB SER 115 7.934 -18.191 -1.831 814 HB3 SER 115 2HB SER 115 8.685 -17.264 -3.129 815 HG SER 115 HG SER 115 7.206 -16.281 -1.293 816 H GLY 116 H GLY 116 5.751 -20.368 -2.776 817 HA2 GLY 116 1HA GLY 116 3.809 -20.367 -1.333 818 HA3 GLY 116 2HA GLY 116 3.267 -18.909 -2.149 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.334 -19.247 1.517 2 HA2 GLY 1 1HA GLY 1 5.315 -18.833 0.418 3 HA3 GLY 1 2HA GLY 1 5.514 -17.119 0.748 4 H SER 2 H SER 2 7.705 -16.315 -0.409 5 HA SER 2 HA SER 2 7.175 -16.000 -3.060 6 HB2 SER 2 1HB SER 2 9.575 -15.424 -3.354 7 HB3 SER 2 2HB SER 2 8.870 -14.677 -1.922 8 HG SER 2 HG SER 2 10.624 -16.885 -2.079 9 H SER 3 H SER 3 6.678 -17.640 -4.391 10 HA SER 3 HA SER 3 8.492 -19.950 -4.508 11 HB2 SER 3 1HB SER 3 6.596 -21.039 -5.770 12 HB3 SER 3 2HB SER 3 6.231 -20.635 -4.093 13 HG SER 3 HG SER 3 4.818 -19.963 -6.127 14 H GLY 4 H GLY 4 6.593 -17.839 -6.669 15 HA2 GLY 4 1HA GLY 4 8.453 -16.953 -8.381 16 HA3 GLY 4 2HA GLY 4 8.239 -18.607 -8.935 17 H SER 5 H SER 5 5.504 -18.919 -8.573 18 HA SER 5 HA SER 5 4.502 -17.148 -10.685 19 HB2 SER 5 1HB SER 5 3.430 -19.798 -9.683 20 HB3 SER 5 2HB SER 5 2.758 -18.865 -11.021 21 HG SER 5 HG SER 5 4.416 -19.409 -12.261 22 H SER 6 H SER 6 2.799 -15.817 -10.399 23 HA SER 6 HA SER 6 1.734 -15.599 -7.676 24 HB2 SER 6 1HB SER 6 1.521 -13.624 -9.961 25 HB3 SER 6 2HB SER 6 1.075 -13.337 -8.279 26 HG SER 6 HG SER 6 3.068 -12.559 -8.312 27 H GLY 7 H GLY 7 -0.482 -15.488 -7.257 28 HA2 GLY 7 1HA GLY 7 -2.282 -16.130 -9.493 29 HA3 GLY 7 2HA GLY 7 -2.263 -17.175 -8.080 30 H THR 8 H THR 8 -3.922 -16.815 -6.784 31 HA THR 8 HA THR 8 -5.694 -14.703 -6.924 32 HB THR 8 HB THR 8 -6.352 -16.683 -5.758 33 HG1 THR 8 1HG THR 8 -7.535 -15.453 -4.521 34 HG21 THR 8 1HG2 THR 8 -5.356 -17.371 -3.633 35 HG22 THR 8 2HG2 THR 8 -4.201 -16.042 -3.736 36 HG23 THR 8 3HG2 THR 8 -4.148 -17.351 -4.916 37 H GLN 9 H GLN 9 -6.180 -13.270 -4.892 38 HA GLN 9 HA GLN 9 -4.251 -11.272 -4.768 39 HB2 GLN 9 1HB GLN 9 -6.414 -11.853 -2.738 40 HB3 GLN 9 2HB GLN 9 -5.568 -10.324 -2.937 41 HG2 GLN 9 1HG GLN 9 -7.410 -11.626 -4.927 42 HG3 GLN 9 2HG GLN 9 -7.752 -10.204 -3.944 43 HE21 GLN 9 1HE2 GLN 9 -7.962 -10.234 -6.719 44 HE22 GLN 9 2HE2 GLN 9 -6.762 -9.180 -7.378 45 H GLU 10 H GLU 10 -4.434 -14.238 -3.070 46 HA GLU 10 HA GLU 10 -3.224 -13.762 -0.657 47 HB2 GLU 10 1HB GLU 10 -4.021 -15.982 -1.665 48 HB3 GLU 10 2HB GLU 10 -2.423 -16.090 -2.391 49 HG2 GLU 10 1HG GLU 10 -2.178 -17.319 -0.461 50 HG3 GLU 10 2HG GLU 10 -1.560 -15.738 0.015 51 H GLU 11 H GLU 11 -1.620 -14.239 -3.791 52 HA GLU 11 HA GLU 11 1.021 -14.130 -2.942 53 HB2 GLU 11 1HB GLU 11 -0.083 -14.505 -5.320 54 HB3 GLU 11 2HB GLU 11 0.272 -12.793 -5.502 55 HG2 GLU 11 1HG GLU 11 2.154 -15.086 -5.177 56 HG3 GLU 11 2HG GLU 11 2.135 -13.820 -6.403 57 H LEU 12 H LEU 12 -1.141 -11.472 -3.863 58 HA LEU 12 HA LEU 12 0.784 -9.422 -3.497 59 HB2 LEU 12 1HB LEU 12 -1.104 -8.991 -4.880 60 HB3 LEU 12 2HB LEU 12 -2.224 -9.401 -3.582 61 HG LEU 12 HG LEU 12 -1.185 -7.356 -2.373 62 HD11 LEU 12 1HD1 LEU 12 0.586 -6.608 -3.584 63 HD12 LEU 12 2HD1 LEU 12 -0.685 -5.645 -4.335 64 HD13 LEU 12 3HD1 LEU 12 -0.109 -7.112 -5.125 65 HD21 LEU 12 1HD2 LEU 12 -2.822 -5.887 -3.413 66 HD22 LEU 12 2HD2 LEU 12 -3.495 -7.501 -3.180 67 HD23 LEU 12 3HD2 LEU 12 -2.962 -6.989 -4.783 68 H LEU 13 H LEU 13 -2.028 -10.350 -1.503 69 HA LEU 13 HA LEU 13 -1.741 -8.708 0.632 70 HB2 LEU 13 1HB LEU 13 -3.528 -10.328 0.465 71 HB3 LEU 13 2HB LEU 13 -2.387 -11.652 0.689 72 HG LEU 13 HG LEU 13 -1.938 -10.742 2.990 73 HD11 LEU 13 1HD1 LEU 13 -3.442 -9.171 3.959 74 HD12 LEU 13 2HD1 LEU 13 -4.442 -9.141 2.508 75 HD13 LEU 13 3HD1 LEU 13 -2.817 -8.457 2.473 76 HD21 LEU 13 1HD2 LEU 13 -3.251 -12.555 3.240 77 HD22 LEU 13 2HD2 LEU 13 -4.407 -12.020 2.021 78 HD23 LEU 13 3HD2 LEU 13 -4.481 -11.362 3.656 79 H ARG 14 H ARG 14 -0.334 -11.988 0.658 80 HA ARG 14 HA ARG 14 1.219 -11.831 2.877 81 HB2 ARG 14 1HB ARG 14 1.527 -13.262 0.284 82 HB3 ARG 14 2HB ARG 14 2.906 -13.250 1.376 83 HG2 ARG 14 1HG ARG 14 1.393 -14.135 3.160 84 HG3 ARG 14 2HG ARG 14 0.152 -14.325 1.920 85 HD2 ARG 14 1HD ARG 14 1.226 -16.431 2.156 86 HD3 ARG 14 2HD ARG 14 1.791 -15.732 0.639 87 HE ARG 14 HE ARG 14 3.907 -15.709 1.495 88 HH11 ARG 14 2HH1 ARG 14 1.639 -15.990 4.122 89 HH12 ARG 14 1HH1 ARG 14 2.864 -16.228 5.325 90 HH21 ARG 14 2HH2 ARG 14 5.527 -16.020 3.070 91 HH22 ARG 14 1HH2 ARG 14 5.074 -16.243 4.726 92 H TRP 15 H TRP 15 2.272 -10.868 -0.389 93 HA TRP 15 HA TRP 15 4.813 -9.968 0.261 94 HB2 TRP 15 1HB TRP 15 4.063 -10.224 -2.048 95 HB3 TRP 15 2HB TRP 15 2.923 -8.897 -1.845 96 HD1 TRP 15 HD TRP 15 6.760 -9.464 -1.753 97 HE1 TRP 15 1HE TRP 15 7.896 -7.319 -2.608 98 HE3 TRP 15 3HE TRP 15 2.611 -6.543 -2.379 99 HZ2 TRP 15 2HZ TRP 15 7.135 -4.731 -3.439 100 HZ3 TRP 15 3HZ TRP 15 2.902 -4.244 -3.208 101 HH2 TRP 15 HH TRP 15 5.118 -3.359 -3.726 102 H CYS 16 H CYS 16 1.769 -8.132 0.187 103 HA CYS 16 HA CYS 16 2.855 -5.657 0.937 104 HB2 CYS 16 1HB CYS 16 0.103 -6.848 1.116 105 HB3 CYS 16 2HB CYS 16 0.436 -5.259 1.792 106 HG CYS 16 HG CYS 16 0.242 -6.216 -1.438 107 H GLN 17 H GLN 17 1.620 -8.351 2.852 108 HA GLN 17 HA GLN 17 1.619 -7.120 5.360 109 HB2 GLN 17 1HB GLN 17 1.956 -9.979 4.493 110 HB3 GLN 17 2HB GLN 17 2.006 -9.528 6.192 111 HG2 GLN 17 1HG GLN 17 -0.237 -8.611 6.035 112 HG3 GLN 17 2HG GLN 17 -0.289 -9.001 4.317 113 HE21 GLN 17 1HE2 GLN 17 -2.286 -9.983 5.665 114 HE22 GLN 17 2HE2 GLN 17 -2.109 -11.672 5.983 115 H GLU 18 H GLU 18 4.179 -8.985 3.745 116 HA GLU 18 HA GLU 18 6.080 -8.860 5.782 117 HB2 GLU 18 1HB GLU 18 6.502 -8.941 2.790 118 HB3 GLU 18 2HB GLU 18 7.750 -9.250 3.988 119 HG2 GLU 18 1HG GLU 18 6.227 -11.099 4.853 120 HG3 GLU 18 2HG GLU 18 5.327 -10.894 3.352 121 H GLN 19 H GLN 19 5.438 -6.622 3.114 122 HA GLN 19 HA GLN 19 7.592 -4.869 3.700 123 HB2 GLN 19 1HB GLN 19 5.033 -4.419 2.159 124 HB3 GLN 19 2HB GLN 19 6.364 -3.271 2.225 125 HG2 GLN 19 1HG GLN 19 6.207 -5.914 0.861 126 HG3 GLN 19 2HG GLN 19 6.760 -4.358 0.242 127 HE21 GLN 19 1HE2 GLN 19 7.790 -7.317 0.975 128 HE22 GLN 19 2HE2 GLN 19 9.421 -6.986 1.438 129 H THR 20 H THR 20 4.082 -4.384 4.130 130 HA THR 20 HA THR 20 4.296 -2.079 5.704 131 HB THR 20 HB THR 20 1.977 -2.470 6.362 132 HG1 THR 20 1HG THR 20 2.607 -5.078 5.563 133 HG21 THR 20 1HG2 THR 20 1.998 -1.522 4.255 134 HG22 THR 20 2HG2 THR 20 1.077 -2.998 3.960 135 HG23 THR 20 3HG2 THR 20 2.783 -2.918 3.520 136 H ALA 21 H ALA 21 4.663 -5.426 6.506 137 HA ALA 21 HA ALA 21 4.074 -5.555 9.180 138 HB1 ALA 21 1HB ALA 21 6.410 -6.995 9.041 139 HB2 ALA 21 2HB ALA 21 4.801 -7.597 8.642 140 HB3 ALA 21 3HB ALA 21 5.854 -6.982 7.367 141 H GLY 22 H GLY 22 6.559 -3.717 7.658 142 HA2 GLY 22 1HA GLY 22 8.020 -3.330 10.161 143 HA3 GLY 22 2HA GLY 22 8.496 -2.733 8.578 144 H TYR 23 H TYR 23 5.575 -2.357 10.587 145 HA TYR 23 HA TYR 23 6.080 0.473 10.895 146 HB2 TYR 23 1HB TYR 23 4.902 0.030 8.614 147 HB3 TYR 23 2HB TYR 23 3.472 -0.260 9.599 148 HD1 TYR 23 2HD TYR 23 3.210 1.674 11.522 149 HD2 TYR 23 1HD TYR 23 5.053 2.139 7.715 150 HE1 TYR 23 2HE TYR 23 2.779 4.093 11.616 151 HE2 TYR 23 1HE TYR 23 4.628 4.560 7.799 152 HH TYR 23 HH TYR 23 2.645 6.031 9.260 153 HA PRO 24 HA PRO 24 4.064 -0.756 14.673 154 HB2 PRO 24 1HB PRO 24 4.312 1.649 15.909 155 HB3 PRO 24 2HB PRO 24 5.654 0.509 15.747 156 HG2 PRO 24 1HG PRO 24 5.021 2.933 14.110 157 HG3 PRO 24 2HG PRO 24 6.587 2.380 14.730 158 HD2 PRO 24 1HD PRO 24 5.810 1.978 12.167 159 HD3 PRO 24 2HD PRO 24 6.852 0.836 13.039 160 H GLY 25 H GLY 25 1.913 -1.038 14.358 161 HA2 GLY 25 1HA GLY 25 -0.240 -0.123 14.997 162 HA3 GLY 25 2HA GLY 25 0.259 1.403 14.283 163 H VAL 26 H VAL 26 1.236 -1.187 12.382 164 HA VAL 26 HA VAL 26 -1.136 -0.884 10.656 165 HB VAL 26 HB VAL 26 1.734 -1.315 9.819 166 HG11 VAL 26 1HG1 VAL 26 0.128 -2.525 8.394 167 HG12 VAL 26 2HG1 VAL 26 -0.725 -1.008 8.098 168 HG13 VAL 26 3HG1 VAL 26 0.934 -1.213 7.536 169 HG21 VAL 26 1HG2 VAL 26 1.672 0.930 10.239 170 HG22 VAL 26 2HG2 VAL 26 1.072 0.923 8.581 171 HG23 VAL 26 3HG2 VAL 26 -0.059 1.055 9.926 172 H HIS 27 H HIS 27 -2.294 -2.677 10.506 173 HA HIS 27 HA HIS 27 -0.900 -5.266 10.458 174 HB2 HIS 27 1HB HIS 27 -2.888 -6.199 11.731 175 HB3 HIS 27 2HB HIS 27 -1.793 -5.178 12.658 176 HD1 HIS 27 1HD HIS 27 -2.723 -3.010 13.609 177 HD2 HIS 27 2HD HIS 27 -5.424 -5.038 11.189 178 HE1 HIS 27 1HE HIS 27 -4.933 -1.862 13.957 179 HE2 HIS 27 2HE HIS 27 -6.568 -3.159 12.548 180 H VAL 28 H VAL 28 -1.115 -5.312 8.200 181 HA VAL 28 HA VAL 28 -3.652 -5.002 6.914 182 HB VAL 28 HB VAL 28 -1.078 -6.199 5.879 183 HG11 VAL 28 1HG1 VAL 28 -2.594 -7.045 4.385 184 HG12 VAL 28 2HG1 VAL 28 -3.731 -5.715 4.617 185 HG13 VAL 28 3HG1 VAL 28 -2.274 -5.473 3.651 186 HG21 VAL 28 1HG2 VAL 28 -2.260 -3.436 5.699 187 HG22 VAL 28 2HG2 VAL 28 -0.720 -3.910 6.415 188 HG23 VAL 28 3HG2 VAL 28 -0.944 -3.997 4.668 189 H SER 29 H SER 29 -5.050 -6.461 7.933 190 HA SER 29 HA SER 29 -4.425 -9.296 7.876 191 HB2 SER 29 1HB SER 29 -5.555 -8.466 9.849 192 HB3 SER 29 2HB SER 29 -6.852 -7.783 8.868 193 HG SER 29 HG SER 29 -6.286 -10.479 9.443 194 H ASP 30 H ASP 30 -6.427 -6.984 6.179 195 HA ASP 30 HA ASP 30 -6.842 -8.878 4.039 196 HB2 ASP 30 1HB ASP 30 -9.407 -8.158 4.162 197 HB3 ASP 30 2HB ASP 30 -8.795 -9.582 5.001 198 H LEU 31 H LEU 31 -7.777 -7.876 2.124 199 HA LEU 31 HA LEU 31 -6.965 -5.088 1.927 200 HB2 LEU 31 1HB LEU 31 -7.697 -7.189 -0.091 201 HB3 LEU 31 2HB LEU 31 -7.475 -5.499 -0.539 202 HG LEU 31 HG LEU 31 -5.139 -5.812 0.602 203 HD11 LEU 31 1HD1 LEU 31 -5.257 -8.573 -0.412 204 HD12 LEU 31 2HD1 LEU 31 -6.068 -8.284 1.127 205 HD13 LEU 31 3HD1 LEU 31 -4.357 -7.894 0.945 206 HD21 LEU 31 1HD2 LEU 31 -4.193 -6.207 -1.515 207 HD22 LEU 31 2HD2 LEU 31 -5.725 -5.394 -1.834 208 HD23 LEU 31 3HD2 LEU 31 -5.589 -7.139 -2.057 209 H SER 32 H SER 32 -9.355 -5.679 3.409 210 HA SER 32 HA SER 32 -11.432 -4.543 1.658 211 HB2 SER 32 1HB SER 32 -11.726 -6.023 4.285 212 HB3 SER 32 2HB SER 32 -13.056 -5.380 3.322 213 HG SER 32 HG SER 32 -12.764 -7.564 2.854 214 H SER 33 H SER 33 -10.617 -4.452 5.131 215 HA SER 33 HA SER 33 -11.134 -1.550 5.069 216 HB2 SER 33 1HB SER 33 -12.041 -1.666 7.275 217 HB3 SER 33 2HB SER 33 -12.803 -2.965 6.356 218 HG SER 33 HG SER 33 -10.790 -3.128 8.323 219 H SER 34 H SER 34 -9.046 -4.126 6.110 220 HA SER 34 HA SER 34 -7.447 -2.966 8.001 221 HB2 SER 34 1HB SER 34 -7.321 -5.296 6.721 222 HB3 SER 34 2HB SER 34 -6.067 -4.453 5.811 223 HG SER 34 HG SER 34 -5.319 -3.877 8.090 224 H TRP 35 H TRP 35 -7.757 -2.086 4.688 225 HA TRP 35 HA TRP 35 -5.355 -0.406 4.816 226 HB2 TRP 35 1HB TRP 35 -7.114 -1.124 2.460 227 HB3 TRP 35 2HB TRP 35 -5.666 -0.125 2.380 228 HD1 TRP 35 HD TRP 35 -6.608 -3.743 3.430 229 HE1 TRP 35 1HE TRP 35 -4.639 -5.281 2.810 230 HE3 TRP 35 3HE TRP 35 -3.351 -0.219 1.668 231 HZ2 TRP 35 2HZ TRP 35 -2.047 -5.033 1.719 232 HZ3 TRP 35 3HZ TRP 35 -1.147 -0.952 0.854 233 HH2 TRP 35 HH TRP 35 -0.510 -3.309 0.881 234 H ALA 36 H ALA 36 -8.773 -0.279 4.968 235 HA ALA 36 HA ALA 36 -9.375 2.233 3.971 236 HB1 ALA 36 1HB ALA 36 -10.566 0.743 6.301 237 HB2 ALA 36 2HB ALA 36 -11.250 2.224 5.630 238 HB3 ALA 36 3HB ALA 36 -11.138 0.774 4.633 239 H ASP 37 H ASP 37 -7.842 1.335 6.986 240 HA ASP 37 HA ASP 37 -8.124 3.634 8.483 241 HB2 ASP 37 1HB ASP 37 -5.921 3.031 9.505 242 HB3 ASP 37 2HB ASP 37 -7.059 1.688 9.421 243 H GLY 38 H GLY 38 -5.507 2.909 6.166 244 HA2 GLY 38 1HA GLY 38 -5.036 4.813 4.596 245 HA3 GLY 38 2HA GLY 38 -4.977 5.814 6.040 246 H LEU 39 H LEU 39 -3.534 4.150 7.741 247 HA LEU 39 HA LEU 39 -0.909 4.777 7.101 248 HB2 LEU 39 1HB LEU 39 -2.223 2.979 9.058 249 HB3 LEU 39 2HB LEU 39 -0.496 2.756 8.787 250 HG LEU 39 HG LEU 39 -1.738 5.381 9.600 251 HD11 LEU 39 1HD1 LEU 39 -2.134 4.231 11.518 252 HD12 LEU 39 2HD1 LEU 39 -0.440 4.635 11.793 253 HD13 LEU 39 3HD1 LEU 39 -0.878 3.035 11.195 254 HD21 LEU 39 1HD2 LEU 39 0.425 5.538 8.462 255 HD22 LEU 39 2HD2 LEU 39 1.117 4.402 9.621 256 HD23 LEU 39 3HD2 LEU 39 0.553 5.983 10.164 257 H ALA 40 H ALA 40 -2.622 1.691 6.719 258 HA ALA 40 HA ALA 40 -0.775 -0.067 5.945 259 HB1 ALA 40 1HB ALA 40 -2.900 -0.898 5.739 260 HB2 ALA 40 2HB ALA 40 -3.478 0.502 4.835 261 HB3 ALA 40 3HB ALA 40 -2.466 -0.703 4.040 262 H LEU 41 H LEU 41 -2.270 2.032 3.475 263 HA LEU 41 HA LEU 41 -0.485 1.492 1.431 264 HB2 LEU 41 1HB LEU 41 -2.331 3.723 2.064 265 HB3 LEU 41 2HB LEU 41 -1.126 4.002 0.809 266 HG LEU 41 HG LEU 41 -3.150 1.764 0.785 267 HD11 LEU 41 1HD1 LEU 41 -3.241 4.047 -1.111 268 HD12 LEU 41 2HD1 LEU 41 -3.860 4.295 0.521 269 HD13 LEU 41 3HD1 LEU 41 -4.543 3.029 -0.498 270 HD21 LEU 41 1HD2 LEU 41 -1.599 0.935 -0.631 271 HD22 LEU 41 2HD2 LEU 41 -0.856 2.510 -0.914 272 HD23 LEU 41 3HD2 LEU 41 -2.341 2.070 -1.759 273 H CYS 42 H CYS 42 -0.280 3.914 3.993 274 HA CYS 42 HA CYS 42 1.930 5.340 3.075 275 HB2 CYS 42 1HB CYS 42 1.343 4.732 5.976 276 HB3 CYS 42 2HB CYS 42 2.192 6.130 5.326 277 HG CYS 42 HG CYS 42 -1.066 5.576 4.506 278 H ALA 43 H ALA 43 1.896 2.655 5.425 279 HA ALA 43 HA ALA 43 4.614 2.364 5.780 280 HB1 ALA 43 1HB ALA 43 3.984 -0.141 6.106 281 HB2 ALA 43 2HB ALA 43 3.344 1.076 7.211 282 HB3 ALA 43 3HB ALA 43 2.331 0.443 5.913 283 H LEU 44 H LEU 44 2.582 0.709 3.366 284 HA LEU 44 HA LEU 44 4.549 -0.788 2.119 285 HB2 LEU 44 1HB LEU 44 2.289 -1.193 1.564 286 HB3 LEU 44 2HB LEU 44 2.038 0.477 1.061 287 HG LEU 44 HG LEU 44 3.631 0.009 -0.847 288 HD11 LEU 44 1HD1 LEU 44 4.343 -2.191 0.448 289 HD12 LEU 44 2HD1 LEU 44 4.397 -2.079 -1.311 290 HD13 LEU 44 3HD1 LEU 44 3.038 -2.877 -0.521 291 HD21 LEU 44 1HD2 LEU 44 1.035 -0.046 -0.829 292 HD22 LEU 44 2HD2 LEU 44 1.247 -1.788 -1.006 293 HD23 LEU 44 3HD2 LEU 44 1.908 -0.691 -2.219 294 H VAL 45 H VAL 45 3.581 2.563 1.521 295 HA VAL 45 HA VAL 45 5.309 2.966 -0.697 296 HB VAL 45 HB VAL 45 4.084 4.989 1.184 297 HG11 VAL 45 1HG1 VAL 45 4.952 6.665 -0.039 298 HG12 VAL 45 2HG1 VAL 45 6.157 5.461 -0.502 299 HG13 VAL 45 3HG1 VAL 45 4.780 5.784 -1.557 300 HG21 VAL 45 1HG2 VAL 45 2.619 3.400 -0.257 301 HG22 VAL 45 2HG2 VAL 45 2.268 5.129 -0.244 302 HG23 VAL 45 3HG2 VAL 45 3.146 4.417 -1.598 303 H TYR 46 H TYR 46 5.528 4.216 2.640 304 HA TYR 46 HA TYR 46 8.027 5.338 2.528 305 HB2 TYR 46 1HB TYR 46 6.597 3.940 4.780 306 HB3 TYR 46 2HB TYR 46 8.173 4.687 5.011 307 HD1 TYR 46 1HD TYR 46 8.264 7.194 3.976 308 HD2 TYR 46 2HD TYR 46 4.779 5.206 5.392 309 HE1 TYR 46 1HE TYR 46 7.181 9.371 4.348 310 HE2 TYR 46 2HE TYR 46 3.686 7.378 5.768 311 HH TYR 46 HH TYR 46 5.242 10.406 4.821 312 H ARG 47 H ARG 47 7.239 1.957 3.288 313 HA ARG 47 HA ARG 47 9.843 1.061 3.764 314 HB2 ARG 47 1HB ARG 47 7.288 -0.249 2.944 315 HB3 ARG 47 2HB ARG 47 8.776 -1.180 2.847 316 HG2 ARG 47 1HG ARG 47 7.959 0.255 5.352 317 HG3 ARG 47 2HG ARG 47 7.411 -1.380 4.978 318 HD2 ARG 47 1HD ARG 47 9.282 -1.882 6.178 319 HD3 ARG 47 2HD ARG 47 9.995 -1.763 4.570 320 HE ARG 47 HE ARG 47 10.155 0.766 5.620 321 HH11 ARG 47 2HH1 ARG 47 11.280 -2.400 6.531 322 HH12 ARG 47 1HH1 ARG 47 12.685 -1.807 7.353 323 HH21 ARG 47 2HH2 ARG 47 12.003 1.559 6.698 324 HH22 ARG 47 1HH2 ARG 47 13.095 0.445 7.448 325 H LEU 48 H LEU 48 7.936 0.613 0.778 326 HA LEU 48 HA LEU 48 9.727 -0.489 -0.891 327 HB2 LEU 48 1HB LEU 48 7.672 1.623 -1.330 328 HB3 LEU 48 2HB LEU 48 8.745 1.192 -2.659 329 HG LEU 48 HG LEU 48 7.060 -0.834 -1.204 330 HD11 LEU 48 1HD1 LEU 48 5.645 0.940 -2.207 331 HD12 LEU 48 2HD1 LEU 48 5.423 -0.644 -2.948 332 HD13 LEU 48 3HD1 LEU 48 6.378 0.587 -3.772 333 HD21 LEU 48 1HD2 LEU 48 8.732 -0.806 -3.685 334 HD22 LEU 48 2HD2 LEU 48 7.380 -1.930 -3.530 335 HD23 LEU 48 3HD2 LEU 48 8.705 -1.977 -2.366 336 H GLN 49 H GLN 49 9.675 2.919 0.047 337 HA GLN 49 HA GLN 49 12.405 3.167 -1.021 338 HB2 GLN 49 1HB GLN 49 10.401 4.367 -2.274 339 HB3 GLN 49 2HB GLN 49 10.619 5.556 -0.997 340 HG2 GLN 49 1HG GLN 49 12.954 5.831 -1.640 341 HG3 GLN 49 2HG GLN 49 12.749 4.626 -2.910 342 HE21 GLN 49 1HE2 GLN 49 12.701 7.870 -2.195 343 HE22 GLN 49 2HE2 GLN 49 11.878 8.446 -3.600 344 HA PRO 50 HA PRO 50 12.720 4.197 3.386 345 HB2 PRO 50 1HB PRO 50 15.380 3.677 3.529 346 HB3 PRO 50 2HB PRO 50 14.148 2.412 3.620 347 HG2 PRO 50 1HG PRO 50 15.813 3.270 1.284 348 HG3 PRO 50 2HG PRO 50 15.397 1.632 1.820 349 HD2 PRO 50 1HD PRO 50 14.120 2.862 -0.227 350 HD3 PRO 50 2HD PRO 50 13.307 1.709 0.850 351 H GLY 51 H GLY 51 14.151 5.513 0.560 352 HA2 GLY 51 1HA GLY 51 15.754 7.516 1.832 353 HA3 GLY 51 2HA GLY 51 15.295 7.471 0.137 354 H LEU 52 H LEU 52 12.484 7.443 0.491 355 HA LEU 52 HA LEU 52 11.922 10.168 0.578 356 HB2 LEU 52 1HB LEU 52 10.271 7.692 0.729 357 HB3 LEU 52 2HB LEU 52 9.507 9.246 1.054 358 HG LEU 52 HG LEU 52 11.074 8.952 -1.458 359 HD11 LEU 52 1HD1 LEU 52 8.733 7.343 -0.761 360 HD12 LEU 52 2HD1 LEU 52 9.911 7.137 -2.057 361 HD13 LEU 52 3HD1 LEU 52 8.564 8.256 -2.260 362 HD21 LEU 52 1HD2 LEU 52 10.231 11.047 -1.441 363 HD22 LEU 52 2HD2 LEU 52 8.907 10.624 -0.356 364 HD23 LEU 52 3HD2 LEU 52 8.798 10.237 -2.074 365 H LEU 53 H LEU 53 10.663 11.401 2.097 366 HA LEU 53 HA LEU 53 11.637 11.479 4.657 367 HB2 LEU 53 1HB LEU 53 9.907 12.995 5.189 368 HB3 LEU 53 2HB LEU 53 10.283 13.232 3.483 369 HG LEU 53 HG LEU 53 7.983 13.336 3.485 370 HD11 LEU 53 1HD1 LEU 53 8.789 11.614 1.913 371 HD12 LEU 53 2HD1 LEU 53 7.144 11.315 2.472 372 HD13 LEU 53 3HD1 LEU 53 8.484 10.384 3.140 373 HD21 LEU 53 1HD2 LEU 53 7.765 10.989 5.355 374 HD22 LEU 53 2HD2 LEU 53 6.509 12.140 4.894 375 HD23 LEU 53 3HD2 LEU 53 7.849 12.659 5.918 376 H GLU 54 H GLU 54 10.022 11.363 6.655 377 HA GLU 54 HA GLU 54 8.943 8.622 6.662 378 HB2 GLU 54 1HB GLU 54 10.282 10.245 8.816 379 HB3 GLU 54 2HB GLU 54 9.309 8.830 9.194 380 HG2 GLU 54 1HG GLU 54 11.376 7.887 9.096 381 HG3 GLU 54 2HG GLU 54 10.861 7.679 7.424 382 HA PRO 55 HA PRO 55 4.936 10.090 7.677 383 HB2 PRO 55 1HB PRO 55 4.051 8.149 9.356 384 HB3 PRO 55 2HB PRO 55 4.241 7.901 7.616 385 HG2 PRO 55 1HG PRO 55 6.072 7.121 9.853 386 HG3 PRO 55 2HG PRO 55 5.595 6.190 8.421 387 HD2 PRO 55 1HD PRO 55 7.966 7.487 8.592 388 HD3 PRO 55 2HD PRO 55 7.100 7.279 7.056 389 H SER 56 H SER 56 7.413 10.367 9.749 390 HA SER 56 HA SER 56 6.755 10.534 12.311 391 HB2 SER 56 1HB SER 56 7.887 12.961 10.907 392 HB3 SER 56 2HB SER 56 8.170 12.456 12.573 393 HG SER 56 HG SER 56 9.813 11.937 10.856 394 H GLU 57 H GLU 57 5.419 12.626 9.819 395 HA GLU 57 HA GLU 57 3.892 14.172 11.735 396 HB2 GLU 57 1HB GLU 57 3.835 14.191 8.712 397 HB3 GLU 57 2HB GLU 57 3.019 15.346 9.758 398 HG2 GLU 57 1HG GLU 57 4.880 16.543 9.275 399 HG3 GLU 57 2HG GLU 57 5.463 15.681 10.698 400 H LEU 58 H LEU 58 3.260 11.775 9.202 401 HA LEU 58 HA LEU 58 0.506 11.719 9.244 402 HB2 LEU 58 1HB LEU 58 2.619 9.718 8.666 403 HB3 LEU 58 2HB LEU 58 0.972 9.125 8.870 404 HG LEU 58 HG LEU 58 0.256 10.681 7.061 405 HD11 LEU 58 1HD1 LEU 58 3.131 11.376 7.185 406 HD12 LEU 58 2HD1 LEU 58 1.733 12.380 6.801 407 HD13 LEU 58 3HD1 LEU 58 2.390 11.281 5.587 408 HD21 LEU 58 1HD2 LEU 58 1.892 9.341 5.338 409 HD22 LEU 58 2HD2 LEU 58 0.415 8.687 6.049 410 HD23 LEU 58 3HD2 LEU 58 1.980 8.332 6.782 411 H GLN 59 H GLN 59 2.770 10.346 11.539 412 HA GLN 59 HA GLN 59 1.285 8.553 12.945 413 HB2 GLN 59 1HB GLN 59 2.597 9.110 14.905 414 HB3 GLN 59 2HB GLN 59 3.619 9.171 13.475 415 HG2 GLN 59 1HG GLN 59 4.283 11.069 14.544 416 HG3 GLN 59 2HG GLN 59 3.004 11.712 13.515 417 HE21 GLN 59 1HE2 GLN 59 3.635 13.225 15.566 418 HE22 GLN 59 2HE2 GLN 59 2.458 13.135 16.826 419 H GLY 60 H GLY 60 1.010 12.064 13.048 420 HA2 GLY 60 1HA GLY 60 -1.309 11.762 14.853 421 HA3 GLY 60 2HA GLY 60 -0.299 13.197 14.779 422 H LEU 61 H LEU 61 -1.676 11.299 12.120 423 HA LEU 61 HA LEU 61 -3.160 13.708 11.300 424 HB2 LEU 61 1HB LEU 61 -1.548 11.741 9.761 425 HB3 LEU 61 2HB LEU 61 -2.965 12.445 8.984 426 HG LEU 61 HG LEU 61 -0.621 13.993 10.090 427 HD11 LEU 61 1HD1 LEU 61 0.394 13.557 8.169 428 HD12 LEU 61 2HD1 LEU 61 -0.926 14.360 7.319 429 HD13 LEU 61 3HD1 LEU 61 -0.992 12.622 7.606 430 HD21 LEU 61 1HD2 LEU 61 -2.434 15.439 10.248 431 HD22 LEU 61 2HD2 LEU 61 -3.203 14.794 8.798 432 HD23 LEU 61 3HD2 LEU 61 -1.766 15.807 8.659 433 H GLY 62 H GLY 62 -5.116 13.277 9.996 434 HA2 GLY 62 1HA GLY 62 -6.792 11.390 11.314 435 HA3 GLY 62 2HA GLY 62 -7.234 12.381 9.933 436 H ALA 63 H ALA 63 -7.911 9.609 10.433 437 HA ALA 63 HA ALA 63 -6.459 7.680 9.179 438 HB1 ALA 63 1HB ALA 63 -9.318 7.688 8.448 439 HB2 ALA 63 2HB ALA 63 -8.341 6.432 9.209 440 HB3 ALA 63 3HB ALA 63 -8.955 7.776 10.172 441 H LEU 64 H LEU 64 -8.336 10.236 7.654 442 HA LEU 64 HA LEU 64 -7.932 9.202 4.993 443 HB2 LEU 64 1HB LEU 64 -9.837 10.745 6.007 444 HB3 LEU 64 2HB LEU 64 -8.746 12.020 5.468 445 HG LEU 64 HG LEU 64 -8.898 11.222 3.182 446 HD11 LEU 64 1HD1 LEU 64 -9.810 8.835 4.426 447 HD12 LEU 64 2HD1 LEU 64 -9.434 9.123 2.728 448 HD13 LEU 64 3HD1 LEU 64 -11.066 9.409 3.328 449 HD21 LEU 64 1HD2 LEU 64 -10.787 12.609 4.485 450 HD22 LEU 64 2HD2 LEU 64 -11.754 11.240 3.934 451 HD23 LEU 64 3HD2 LEU 64 -10.878 12.230 2.765 452 H GLU 65 H GLU 65 -6.781 12.040 6.812 453 HA GLU 65 HA GLU 65 -5.180 13.267 5.000 454 HB2 GLU 65 1HB GLU 65 -4.632 12.742 7.921 455 HB3 GLU 65 2HB GLU 65 -3.647 13.816 6.938 456 HG2 GLU 65 1HG GLU 65 -6.540 14.129 7.675 457 HG3 GLU 65 2HG GLU 65 -5.185 15.162 8.127 458 H ALA 66 H ALA 66 -4.508 10.258 6.682 459 HA ALA 66 HA ALA 66 -1.796 10.001 5.959 460 HB1 ALA 66 1HB ALA 66 -1.881 7.938 6.922 461 HB2 ALA 66 2HB ALA 66 -3.332 8.646 7.635 462 HB3 ALA 66 3HB ALA 66 -3.468 7.565 6.248 463 H THR 67 H THR 67 -4.517 8.108 4.641 464 HA THR 67 HA THR 67 -3.352 6.944 2.504 465 HB THR 67 HB THR 67 -6.070 8.251 2.322 466 HG1 THR 67 1HG THR 67 -6.049 7.007 4.183 467 HG21 THR 67 1HG2 THR 67 -6.008 5.696 1.136 468 HG22 THR 67 2HG2 THR 67 -4.569 6.547 0.572 469 HG23 THR 67 3HG2 THR 67 -6.164 7.257 0.331 470 H ALA 68 H ALA 68 -4.412 10.304 2.686 471 HA ALA 68 HA ALA 68 -4.196 11.096 0.062 472 HB1 ALA 68 1HB ALA 68 -4.831 12.427 2.206 473 HB2 ALA 68 2HB ALA 68 -3.124 12.872 2.211 474 HB3 ALA 68 3HB ALA 68 -4.136 13.273 0.823 475 H TRP 69 H TRP 69 -1.584 11.258 2.491 476 HA TRP 69 HA TRP 69 0.448 12.083 0.790 477 HB2 TRP 69 1HB TRP 69 0.755 12.100 3.187 478 HB3 TRP 69 2HB TRP 69 0.587 10.347 3.262 479 HD1 TRP 69 HD TRP 69 3.087 13.079 2.318 480 HE1 TRP 69 1HE TRP 69 5.424 12.021 2.107 481 HE3 TRP 69 3HE TRP 69 1.788 8.151 2.726 482 HZ2 TRP 69 2HZ TRP 69 6.566 9.439 2.113 483 HZ3 TRP 69 3HZ TRP 69 3.563 6.450 2.612 484 HH2 TRP 69 HH TRP 69 5.901 7.082 2.312 485 H ALA 70 H ALA 70 -0.147 8.739 1.892 486 HA ALA 70 HA ALA 70 1.667 7.345 0.466 487 HB1 ALA 70 1HB ALA 70 -0.278 6.527 1.973 488 HB2 ALA 70 2HB ALA 70 -1.153 6.352 0.451 489 HB3 ALA 70 3HB ALA 70 0.346 5.462 0.713 490 H LEU 71 H LEU 71 -1.590 8.054 -0.821 491 HA LEU 71 HA LEU 71 -1.152 7.143 -3.407 492 HB2 LEU 71 1HB LEU 71 -2.977 9.249 -2.294 493 HB3 LEU 71 2HB LEU 71 -2.967 8.845 -4.010 494 HG LEU 71 HG LEU 71 -3.357 6.650 -2.036 495 HD11 LEU 71 1HD1 LEU 71 -4.925 8.108 -1.116 496 HD12 LEU 71 2HD1 LEU 71 -5.860 7.157 -2.269 497 HD13 LEU 71 3HD1 LEU 71 -5.349 8.793 -2.685 498 HD21 LEU 71 1HD2 LEU 71 -4.911 7.014 -4.540 499 HD22 LEU 71 2HD2 LEU 71 -4.293 5.540 -3.794 500 HD23 LEU 71 3HD2 LEU 71 -3.200 6.608 -4.676 501 H LYS 72 H LYS 72 -0.127 10.077 -1.875 502 HA LYS 72 HA LYS 72 0.460 11.477 -4.318 503 HB2 LYS 72 1HB LYS 72 -0.066 12.478 -1.991 504 HB3 LYS 72 2HB LYS 72 1.624 12.148 -1.629 505 HG2 LYS 72 1HG LYS 72 2.083 13.464 -3.819 506 HG3 LYS 72 2HG LYS 72 0.449 14.085 -3.572 507 HD2 LYS 72 1HD LYS 72 1.309 14.547 -1.145 508 HD3 LYS 72 2HD LYS 72 2.899 14.465 -1.906 509 HE2 LYS 72 1HE LYS 72 1.975 16.139 -3.601 510 HE3 LYS 72 2HE LYS 72 0.648 16.374 -2.465 511 HZ1 LYS 72 1HZ LYS 72 2.948 16.560 -0.965 512 HZ2 LYS 72 2HZ LYS 72 1.939 17.834 -1.437 513 HZ3 LYS 72 3HZ LYS 72 3.283 17.427 -2.379 514 H VAL 73 H VAL 73 2.655 10.557 -1.666 515 HA VAL 73 HA VAL 73 5.027 10.743 -3.041 516 HB VAL 73 HB VAL 73 4.268 8.855 -0.815 517 HG11 VAL 73 1HG1 VAL 73 6.128 7.724 -1.349 518 HG12 VAL 73 2HG1 VAL 73 6.718 9.005 -2.410 519 HG13 VAL 73 3HG1 VAL 73 6.983 9.110 -0.669 520 HG21 VAL 73 1HG2 VAL 73 5.882 10.537 0.370 521 HG22 VAL 73 2HG2 VAL 73 5.459 11.588 -0.982 522 HG23 VAL 73 3HG2 VAL 73 4.197 10.974 0.085 523 H ALA 74 H ALA 74 2.679 8.149 -3.092 524 HA ALA 74 HA ALA 74 4.365 6.267 -4.436 525 HB1 ALA 74 1HB ALA 74 2.242 5.844 -3.005 526 HB2 ALA 74 2HB ALA 74 1.379 6.132 -4.516 527 HB3 ALA 74 3HB ALA 74 2.558 4.825 -4.409 528 H GLU 75 H GLU 75 2.005 8.680 -5.428 529 HA GLU 75 HA GLU 75 2.108 7.861 -8.201 530 HB2 GLU 75 1HB GLU 75 0.015 8.721 -7.289 531 HB3 GLU 75 2HB GLU 75 0.796 10.240 -6.875 532 HG2 GLU 75 1HG GLU 75 0.699 9.254 -9.700 533 HG3 GLU 75 2HG GLU 75 -0.638 10.154 -8.987 534 H ASN 76 H ASN 76 3.930 9.836 -6.146 535 HA ASN 76 HA ASN 76 4.914 11.515 -8.334 536 HB2 ASN 76 1HB ASN 76 5.073 11.661 -5.347 537 HB3 ASN 76 2HB ASN 76 6.285 12.496 -6.315 538 HD21 ASN 76 1HD2 ASN 76 2.901 12.295 -5.508 539 HD22 ASN 76 2HD2 ASN 76 2.462 13.852 -6.112 540 H GLU 77 H GLU 77 6.371 9.684 -5.636 541 HA GLU 77 HA GLU 77 8.901 9.495 -6.945 542 HB2 GLU 77 1HB GLU 77 7.715 8.486 -4.412 543 HB3 GLU 77 2HB GLU 77 9.122 7.636 -5.034 544 HG2 GLU 77 1HG GLU 77 8.929 10.544 -4.299 545 HG3 GLU 77 2HG GLU 77 9.857 9.289 -3.481 546 H LEU 78 H LEU 78 6.809 6.833 -5.831 547 HA LEU 78 HA LEU 78 7.952 4.881 -7.465 548 HB2 LEU 78 1HB LEU 78 5.074 4.821 -6.626 549 HB3 LEU 78 2HB LEU 78 6.192 3.473 -6.824 550 HG LEU 78 HG LEU 78 6.209 5.510 -4.599 551 HD11 LEU 78 1HD1 LEU 78 5.864 3.315 -3.282 552 HD12 LEU 78 2HD1 LEU 78 5.310 2.666 -4.826 553 HD13 LEU 78 3HD1 LEU 78 4.484 4.046 -4.102 554 HD21 LEU 78 1HD2 LEU 78 8.369 4.096 -5.643 555 HD22 LEU 78 2HD2 LEU 78 7.873 3.182 -4.219 556 HD23 LEU 78 3HD2 LEU 78 8.279 4.893 -4.072 557 H GLY 79 H GLY 79 5.183 7.011 -8.022 558 HA2 GLY 79 1HA GLY 79 4.466 7.797 -10.109 559 HA3 GLY 79 2HA GLY 79 5.469 6.582 -10.886 560 H ILE 80 H ILE 80 3.403 5.554 -8.329 561 HA ILE 80 HA ILE 80 1.868 3.960 -10.208 562 HB ILE 80 HB ILE 80 1.763 4.026 -7.190 563 HG12 ILE 80 1HG1 ILE 80 3.935 3.271 -8.166 564 HG13 ILE 80 2HG1 ILE 80 3.103 2.019 -7.249 565 HG21 ILE 80 1HG2 ILE 80 0.847 1.570 -8.094 566 HG22 ILE 80 2HG2 ILE 80 -0.130 2.882 -7.435 567 HG23 ILE 80 3HG2 ILE 80 0.099 2.743 -9.178 568 HD11 ILE 80 1HD1 ILE 80 2.428 0.907 -9.228 569 HD12 ILE 80 2HD1 ILE 80 2.951 2.255 -10.239 570 HD13 ILE 80 3HD1 ILE 80 4.146 1.272 -9.393 571 H THR 81 H THR 81 0.520 5.429 -11.233 572 HA THR 81 HA THR 81 -0.935 7.501 -10.248 573 HB THR 81 HB THR 81 -1.886 5.452 -12.258 574 HG1 THR 81 1HG THR 81 -0.070 6.467 -13.028 575 HG21 THR 81 1HG2 THR 81 -3.458 7.326 -11.033 576 HG22 THR 81 2HG2 THR 81 -3.740 6.665 -12.644 577 HG23 THR 81 3HG2 THR 81 -2.890 8.198 -12.457 578 HA PRO 82 HA PRO 82 -3.602 5.764 -7.173 579 HB2 PRO 82 1HB PRO 82 -5.211 7.928 -6.855 580 HB3 PRO 82 2HB PRO 82 -3.570 7.846 -6.203 581 HG2 PRO 82 1HG PRO 82 -4.552 9.171 -8.701 582 HG3 PRO 82 2HG PRO 82 -3.397 9.770 -7.497 583 HD2 PRO 82 1HD PRO 82 -2.616 8.699 -9.858 584 HD3 PRO 82 2HD PRO 82 -1.654 8.545 -8.374 585 H VAL 83 H VAL 83 -4.667 4.159 -8.372 586 HA VAL 83 HA VAL 83 -6.697 4.721 -10.280 587 HB VAL 83 HB VAL 83 -5.332 2.539 -9.936 588 HG11 VAL 83 1HG1 VAL 83 -6.499 2.470 -7.527 589 HG12 VAL 83 2HG1 VAL 83 -7.668 1.516 -8.442 590 HG13 VAL 83 3HG1 VAL 83 -5.977 1.021 -8.384 591 HG21 VAL 83 1HG2 VAL 83 -7.972 1.554 -10.459 592 HG22 VAL 83 2HG2 VAL 83 -7.771 3.143 -11.196 593 HG23 VAL 83 3HG2 VAL 83 -6.647 1.842 -11.586 594 H VAL 84 H VAL 84 -6.665 4.313 -6.818 595 HA VAL 84 HA VAL 84 -9.595 4.639 -6.783 596 HB VAL 84 HB VAL 84 -7.841 3.279 -4.734 597 HG11 VAL 84 1HG1 VAL 84 -10.835 3.363 -4.659 598 HG12 VAL 84 2HG1 VAL 84 -9.697 2.990 -3.362 599 HG13 VAL 84 3HG1 VAL 84 -9.875 4.651 -3.931 600 HG21 VAL 84 1HG2 VAL 84 -9.369 1.325 -5.354 601 HG22 VAL 84 2HG2 VAL 84 -9.792 2.269 -6.782 602 HG23 VAL 84 3HG2 VAL 84 -8.120 1.778 -6.513 603 H SER 85 H SER 85 -10.277 6.532 -6.048 604 HA SER 85 HA SER 85 -8.681 8.604 -5.184 605 HB2 SER 85 1HB SER 85 -11.248 8.477 -5.846 606 HB3 SER 85 2HB SER 85 -11.458 8.438 -4.095 607 HG SER 85 HG SER 85 -9.697 10.333 -4.645 608 H ALA 86 H ALA 86 -8.179 9.507 -3.180 609 HA ALA 86 HA ALA 86 -7.383 7.815 -1.155 610 HB1 ALA 86 1HB ALA 86 -8.038 10.365 -0.027 611 HB2 ALA 86 2HB ALA 86 -6.454 9.682 -0.396 612 HB3 ALA 86 3HB ALA 86 -7.336 10.584 -1.629 613 H GLN 87 H GLN 87 -10.436 9.567 -1.486 614 HA GLN 87 HA GLN 87 -11.469 8.909 1.060 615 HB2 GLN 87 1HB GLN 87 -12.263 10.653 -0.739 616 HB3 GLN 87 2HB GLN 87 -13.260 9.318 -1.302 617 HG2 GLN 87 1HG GLN 87 -14.181 9.127 1.006 618 HG3 GLN 87 2HG GLN 87 -13.297 10.595 1.421 619 HE21 GLN 87 1HE2 GLN 87 -15.319 9.522 -1.296 620 HE22 GLN 87 2HE2 GLN 87 -16.343 10.913 -1.304 621 H ALA 88 H ALA 88 -12.224 7.533 -2.144 622 HA ALA 88 HA ALA 88 -13.927 5.524 -1.443 623 HB1 ALA 88 1HB ALA 88 -12.960 4.241 -3.382 624 HB2 ALA 88 2HB ALA 88 -13.470 5.891 -3.739 625 HB3 ALA 88 3HB ALA 88 -11.758 5.523 -3.529 626 H VAL 89 H VAL 89 -10.376 5.364 -1.390 627 HA VAL 89 HA VAL 89 -10.074 2.717 -0.614 628 HB VAL 89 HB VAL 89 -8.350 5.063 0.196 629 HG11 VAL 89 1HG1 VAL 89 -7.502 2.190 -0.039 630 HG12 VAL 89 2HG1 VAL 89 -6.637 3.535 0.708 631 HG13 VAL 89 3HG1 VAL 89 -8.085 2.881 1.476 632 HG21 VAL 89 1HG2 VAL 89 -7.922 3.166 -2.099 633 HG22 VAL 89 2HG2 VAL 89 -8.756 4.710 -2.275 634 HG23 VAL 89 3HG2 VAL 89 -7.071 4.672 -1.757 635 H VAL 90 H VAL 90 -10.085 5.582 1.518 636 HA VAL 90 HA VAL 90 -10.151 4.073 3.917 637 HB VAL 90 HB VAL 90 -10.885 6.955 3.394 638 HG11 VAL 90 1HG1 VAL 90 -10.154 6.632 6.072 639 HG12 VAL 90 2HG1 VAL 90 -11.758 7.001 5.438 640 HG13 VAL 90 3HG1 VAL 90 -11.288 5.327 5.732 641 HG21 VAL 90 1HG2 VAL 90 -8.611 6.774 2.976 642 HG22 VAL 90 2HG2 VAL 90 -8.653 7.225 4.680 643 HG23 VAL 90 3HG2 VAL 90 -8.376 5.545 4.218 644 H ALA 91 H ALA 91 -12.692 6.178 2.554 645 HA ALA 91 HA ALA 91 -14.801 5.602 4.116 646 HB1 ALA 91 1HB ALA 91 -14.512 6.293 1.282 647 HB2 ALA 91 2HB ALA 91 -16.045 5.526 1.698 648 HB3 ALA 91 3HB ALA 91 -15.544 7.000 2.526 649 H GLY 92 H GLY 92 -13.640 3.535 1.472 650 HA2 GLY 92 1HA GLY 92 -13.711 1.181 1.484 651 HA3 GLY 92 2HA GLY 92 -14.897 1.246 2.778 652 H SER 93 H SER 93 -15.061 3.023 -0.259 653 HA SER 93 HA SER 93 -17.633 1.752 -0.800 654 HB2 SER 93 1HB SER 93 -17.425 4.239 -0.863 655 HB3 SER 93 2HB SER 93 -16.324 4.077 -2.231 656 HG SER 93 HG SER 93 -18.063 2.985 -3.329 657 H ASP 94 H ASP 94 -14.485 2.276 -2.327 658 HA ASP 94 HA ASP 94 -15.232 0.364 -4.433 659 HB2 ASP 94 1HB ASP 94 -12.852 2.226 -4.415 660 HB3 ASP 94 2HB ASP 94 -13.479 1.304 -5.779 661 HA PRO 95 HA PRO 95 -12.518 -2.163 -1.740 662 HB2 PRO 95 1HB PRO 95 -13.739 -4.507 -2.363 663 HB3 PRO 95 2HB PRO 95 -14.340 -3.412 -1.111 664 HG2 PRO 95 1HG PRO 95 -15.258 -3.740 -3.942 665 HG3 PRO 95 2HG PRO 95 -16.224 -3.553 -2.467 666 HD2 PRO 95 1HD PRO 95 -15.753 -1.500 -4.169 667 HD3 PRO 95 2HD PRO 95 -15.940 -1.266 -2.419 668 H LEU 96 H LEU 96 -13.716 -3.189 -4.944 669 HA LEU 96 HA LEU 96 -11.571 -4.825 -5.627 670 HB2 LEU 96 1HB LEU 96 -13.561 -3.265 -7.226 671 HB3 LEU 96 2HB LEU 96 -12.259 -4.139 -8.033 672 HG LEU 96 HG LEU 96 -13.216 -6.135 -6.554 673 HD11 LEU 96 1HD1 LEU 96 -15.113 -5.628 -5.518 674 HD12 LEU 96 2HD1 LEU 96 -15.867 -5.485 -7.106 675 HD13 LEU 96 3HD1 LEU 96 -15.200 -4.057 -6.314 676 HD21 LEU 96 1HD2 LEU 96 -13.176 -6.668 -8.747 677 HD22 LEU 96 2HD2 LEU 96 -13.827 -5.108 -9.252 678 HD23 LEU 96 3HD2 LEU 96 -14.909 -6.355 -8.628 679 H GLY 97 H GLY 97 -12.072 -1.370 -6.315 680 HA2 GLY 97 1HA GLY 97 -9.905 -0.781 -7.860 681 HA3 GLY 97 2HA GLY 97 -10.519 0.307 -6.623 682 H LEU 98 H LEU 98 -9.844 -0.632 -4.295 683 HA LEU 98 HA LEU 98 -7.224 -0.042 -3.877 684 HB2 LEU 98 1HB LEU 98 -8.800 -0.272 -2.064 685 HB3 LEU 98 2HB LEU 98 -8.929 -2.007 -2.355 686 HG LEU 98 HG LEU 98 -6.649 -2.333 -1.595 687 HD11 LEU 98 1HD1 LEU 98 -5.283 -0.549 -0.766 688 HD12 LEU 98 2HD1 LEU 98 -6.571 0.626 -1.033 689 HD13 LEU 98 3HD1 LEU 98 -5.785 -0.149 -2.408 690 HD21 LEU 98 1HD2 LEU 98 -7.232 -2.343 0.572 691 HD22 LEU 98 2HD2 LEU 98 -8.791 -1.771 -0.022 692 HD23 LEU 98 3HD2 LEU 98 -7.602 -0.619 0.588 693 H ILE 99 H ILE 99 -8.509 -3.358 -4.166 694 HA ILE 99 HA ILE 99 -6.185 -4.793 -3.986 695 HB ILE 99 HB ILE 99 -8.475 -5.343 -5.877 696 HG12 ILE 99 1HG1 ILE 99 -7.974 -6.407 -3.092 697 HG13 ILE 99 2HG1 ILE 99 -9.077 -5.087 -3.461 698 HG21 ILE 99 1HG2 ILE 99 -7.551 -7.310 -6.418 699 HG22 ILE 99 2HG2 ILE 99 -6.043 -6.580 -5.868 700 HG23 ILE 99 3HG2 ILE 99 -6.979 -7.601 -4.776 701 HD11 ILE 99 1HD1 ILE 99 -10.530 -6.512 -4.651 702 HD12 ILE 99 2HD1 ILE 99 -9.346 -7.819 -4.672 703 HD13 ILE 99 3HD1 ILE 99 -10.118 -7.353 -3.157 704 H ALA 100 H ALA 100 -7.572 -3.430 -6.971 705 HA ALA 100 HA ALA 100 -5.494 -4.246 -8.681 706 HB1 ALA 100 1HB ALA 100 -6.376 -2.224 -10.071 707 HB2 ALA 100 2HB ALA 100 -7.403 -3.636 -9.815 708 HB3 ALA 100 3HB ALA 100 -7.644 -2.182 -8.846 709 H TYR 101 H TYR 101 -6.019 -1.208 -6.921 710 HA TYR 101 HA TYR 101 -3.936 0.298 -7.908 711 HB2 TYR 101 1HB TYR 101 -5.651 1.116 -6.312 712 HB3 TYR 101 2HB TYR 101 -4.857 0.214 -5.027 713 HD1 TYR 101 1HD TYR 101 -3.472 2.364 -7.749 714 HD2 TYR 101 2HD TYR 101 -3.926 1.747 -3.564 715 HE1 TYR 101 1HE TYR 101 -2.005 4.288 -7.313 716 HE2 TYR 101 2HE TYR 101 -2.461 3.672 -3.116 717 HH TYR 101 HH TYR 101 -1.269 5.722 -5.726 718 H LEU 102 H LEU 102 -3.836 -1.878 -5.088 719 HA LEU 102 HA LEU 102 -1.131 -1.565 -4.487 720 HB2 LEU 102 1HB LEU 102 -2.896 -3.979 -4.110 721 HB3 LEU 102 2HB LEU 102 -1.323 -3.750 -3.350 722 HG LEU 102 HG LEU 102 -3.631 -1.873 -2.898 723 HD11 LEU 102 1HD1 LEU 102 -4.088 -4.303 -2.260 724 HD12 LEU 102 2HD1 LEU 102 -4.289 -3.079 -1.007 725 HD13 LEU 102 3HD1 LEU 102 -2.841 -4.085 -1.032 726 HD21 LEU 102 1HD2 LEU 102 -1.378 -2.407 -1.014 727 HD22 LEU 102 2HD2 LEU 102 -2.365 -0.959 -1.205 728 HD23 LEU 102 3HD2 LEU 102 -1.124 -1.345 -2.398 729 H SER 103 H SER 103 -2.709 -4.067 -6.469 730 HA SER 103 HA SER 103 -0.703 -5.688 -7.191 731 HB2 SER 103 1HB SER 103 -2.876 -5.989 -8.168 732 HB3 SER 103 2HB SER 103 -2.766 -4.449 -9.022 733 HG SER 103 HG SER 103 -2.251 -6.009 -10.490 734 H HIS 104 H HIS 104 -1.169 -2.411 -8.427 735 HA HIS 104 HA HIS 104 0.847 -2.403 -10.362 736 HB2 HIS 104 1HB HIS 104 -0.118 -0.103 -8.649 737 HB3 HIS 104 2HB HIS 104 0.808 0.051 -10.138 738 HD1 HIS 104 1HD HIS 104 -1.134 1.406 -11.211 739 HD2 HIS 104 2HD HIS 104 -2.137 -2.479 -10.136 740 HE1 HIS 104 1HE HIS 104 -3.324 0.937 -12.354 741 HE2 HIS 104 2HE HIS 104 -3.954 -1.388 -11.620 742 H PHE 105 H PHE 105 0.976 -1.611 -6.910 743 HA PHE 105 HA PHE 105 3.632 -0.746 -6.808 744 HB2 PHE 105 1HB PHE 105 1.828 -2.012 -4.754 745 HB3 PHE 105 2HB PHE 105 3.477 -1.532 -4.367 746 HD1 PHE 105 1HD PHE 105 0.332 -0.174 -5.827 747 HD2 PHE 105 2HD PHE 105 3.884 0.611 -3.615 748 HE1 PHE 105 1HE PHE 105 -0.443 2.122 -5.402 749 HE2 PHE 105 2HE PHE 105 3.113 2.907 -3.186 750 HZ PHE 105 HZ PHE 105 0.947 3.665 -4.079 751 H HIS 106 H HIS 106 2.273 -3.987 -6.283 752 HA HIS 106 HA HIS 106 4.765 -5.248 -5.809 753 HB2 HIS 106 1HB HIS 106 2.566 -6.188 -5.122 754 HB3 HIS 106 2HB HIS 106 2.202 -6.501 -6.816 755 HD1 HIS 106 1HD HIS 106 2.235 -8.996 -6.888 756 HD2 HIS 106 2HD HIS 106 5.590 -7.426 -5.007 757 HE1 HIS 106 1HE HIS 106 3.758 -10.956 -6.486 758 HE2 HIS 106 2HE HIS 106 5.744 -9.995 -5.271 759 H SER 107 H SER 107 2.614 -5.539 -8.644 760 HA SER 107 HA SER 107 4.122 -6.936 -10.368 761 HB2 SER 107 1HB SER 107 1.866 -5.674 -10.739 762 HB3 SER 107 2HB SER 107 2.889 -4.394 -11.390 763 HG SER 107 HG SER 107 3.806 -6.424 -12.585 764 H ALA 108 H ALA 108 4.812 -3.724 -9.239 765 HA ALA 108 HA ALA 108 7.013 -3.429 -11.146 766 HB1 ALA 108 1HB ALA 108 6.041 -1.433 -9.109 767 HB2 ALA 108 2HB ALA 108 7.132 -1.137 -10.464 768 HB3 ALA 108 3HB ALA 108 5.440 -1.536 -10.764 769 H PHE 109 H PHE 109 6.363 -3.718 -7.695 770 HA PHE 109 HA PHE 109 9.261 -3.895 -7.207 771 HB2 PHE 109 1HB PHE 109 6.995 -3.186 -5.337 772 HB3 PHE 109 2HB PHE 109 8.653 -3.451 -4.809 773 HD1 PHE 109 2HD PHE 109 10.463 -1.994 -5.965 774 HD2 PHE 109 1HD PHE 109 6.309 -1.067 -5.934 775 HE1 PHE 109 2HE PHE 109 10.990 0.363 -6.435 776 HE2 PHE 109 1HE PHE 109 6.830 1.292 -6.404 777 HZ PHE 109 HZ PHE 109 9.172 2.010 -6.653 778 H LYS 110 H LYS 110 8.194 -6.118 -8.292 779 HA LYS 110 HA LYS 110 7.826 -7.957 -6.019 780 HB2 LYS 110 1HB LYS 110 6.601 -9.418 -7.445 781 HB3 LYS 110 2HB LYS 110 5.956 -7.801 -7.704 782 HG2 LYS 110 1HG LYS 110 7.161 -7.592 -9.771 783 HG3 LYS 110 2HG LYS 110 7.986 -9.126 -9.489 784 HD2 LYS 110 1HD LYS 110 5.812 -10.282 -9.569 785 HD3 LYS 110 2HD LYS 110 5.022 -8.741 -9.911 786 HE2 LYS 110 1HE LYS 110 7.186 -9.949 -11.626 787 HE3 LYS 110 2HE LYS 110 5.461 -10.160 -11.923 788 HZ1 LYS 110 1HZ LYS 110 7.065 -7.686 -12.091 789 HZ2 LYS 110 2HZ LYS 110 5.382 -7.628 -11.922 790 HZ3 LYS 110 3HZ LYS 110 6.071 -8.383 -13.269 791 H SER 111 H SER 111 9.227 -9.603 -5.732 792 HA SER 111 HA SER 111 11.045 -10.949 -5.992 793 HB2 SER 111 1HB SER 111 9.936 -11.565 -8.143 794 HB3 SER 111 2HB SER 111 10.846 -10.281 -8.938 795 HG SER 111 HG SER 111 12.337 -12.060 -7.432 796 H GLY 112 H GLY 112 11.467 -8.316 -5.222 797 HA2 GLY 112 1HA GLY 112 13.676 -7.249 -6.773 798 HA3 GLY 112 2HA GLY 112 12.987 -6.548 -5.317 799 HA PRO 113 HA PRO 113 17.092 -8.767 -4.489 800 HB2 PRO 113 1HB PRO 113 18.591 -6.562 -3.982 801 HB3 PRO 113 2HB PRO 113 18.434 -7.267 -5.595 802 HG2 PRO 113 1HG PRO 113 17.010 -4.916 -4.408 803 HG3 PRO 113 2HG PRO 113 17.709 -5.100 -6.027 804 HD2 PRO 113 1HD PRO 113 15.058 -5.369 -5.547 805 HD3 PRO 113 2HD PRO 113 15.897 -6.288 -6.813 806 H SER 114 H SER 114 15.334 -6.117 -3.014 807 HA SER 114 HA SER 114 16.416 -5.869 -0.537 808 HB2 SER 114 1HB SER 114 13.573 -5.832 -1.485 809 HB3 SER 114 2HB SER 114 13.909 -5.705 0.242 810 HG SER 114 HG SER 114 13.804 -3.695 -1.135 811 H SER 115 H SER 115 15.846 -6.794 1.556 812 HA SER 115 HA SER 115 15.606 -9.707 1.363 813 HB2 SER 115 1HB SER 115 17.569 -8.684 2.553 814 HB3 SER 115 2HB SER 115 16.444 -8.060 3.758 815 HG SER 115 HG SER 115 16.544 -9.939 4.665 816 H GLY 116 H GLY 116 14.125 -10.884 2.574 817 HA2 GLY 116 1HA GLY 116 12.241 -9.513 4.299 818 HA3 GLY 116 2HA GLY 116 11.559 -10.105 2.790 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.517 -23.162 -1.871 2 HA2 GLY 1 1HA GLY 1 8.672 -24.792 -0.285 3 HA3 GLY 1 2HA GLY 1 8.458 -23.048 -0.242 4 H SER 2 H SER 2 6.702 -22.593 -1.396 5 HA SER 2 HA SER 2 6.386 -23.902 -4.017 6 HB2 SER 2 1HB SER 2 3.982 -23.514 -3.804 7 HB3 SER 2 2HB SER 2 4.576 -24.410 -2.406 8 HG SER 2 HG SER 2 4.313 -21.594 -2.401 9 H SER 3 H SER 3 5.460 -22.607 -5.735 10 HA SER 3 HA SER 3 6.469 -19.869 -5.639 11 HB2 SER 3 1HB SER 3 6.273 -19.899 -8.066 12 HB3 SER 3 2HB SER 3 7.121 -21.348 -7.526 13 HG SER 3 HG SER 3 5.073 -21.307 -9.079 14 H GLY 4 H GLY 4 3.485 -21.627 -6.431 15 HA2 GLY 4 1HA GLY 4 1.364 -20.760 -5.658 16 HA3 GLY 4 2HA GLY 4 2.001 -19.138 -5.881 17 H SER 5 H SER 5 -0.281 -19.246 -6.972 18 HA SER 5 HA SER 5 0.227 -19.540 -9.842 19 HB2 SER 5 1HB SER 5 -1.962 -20.583 -10.201 20 HB3 SER 5 2HB SER 5 -0.978 -21.571 -9.122 21 HG SER 5 HG SER 5 -3.268 -20.070 -8.580 22 H SER 6 H SER 6 -1.621 -18.502 -11.122 23 HA SER 6 HA SER 6 -2.025 -15.848 -10.031 24 HB2 SER 6 1HB SER 6 -1.287 -16.066 -12.351 25 HB3 SER 6 2HB SER 6 -2.725 -17.010 -12.740 26 HG SER 6 HG SER 6 -3.926 -15.241 -12.688 27 H GLY 7 H GLY 7 -4.121 -14.772 -10.121 28 HA2 GLY 7 1HA GLY 7 -6.569 -15.181 -10.485 29 HA3 GLY 7 2HA GLY 7 -6.323 -16.671 -9.586 30 H THR 8 H THR 8 -6.017 -16.591 -7.345 31 HA THR 8 HA THR 8 -7.463 -14.600 -5.992 32 HB THR 8 HB THR 8 -7.312 -16.762 -4.989 33 HG1 THR 8 1HG THR 8 -6.148 -16.069 -2.915 34 HG21 THR 8 1HG2 THR 8 -4.557 -16.742 -4.104 35 HG22 THR 8 2HG2 THR 8 -4.666 -16.724 -5.864 36 HG23 THR 8 3HG2 THR 8 -5.456 -18.004 -4.944 37 H GLN 9 H GLN 9 -6.666 -13.183 -4.269 38 HA GLN 9 HA GLN 9 -4.296 -11.753 -5.156 39 HB2 GLN 9 1HB GLN 9 -6.283 -11.059 -2.986 40 HB3 GLN 9 2HB GLN 9 -5.020 -10.003 -3.604 41 HG2 GLN 9 1HG GLN 9 -7.375 -11.056 -5.156 42 HG3 GLN 9 2HG GLN 9 -7.177 -9.417 -4.536 43 HE21 GLN 9 1HE2 GLN 9 -7.689 -9.624 -7.122 44 HE22 GLN 9 2HE2 GLN 9 -6.283 -9.318 -8.078 45 H GLU 10 H GLU 10 -4.205 -14.384 -3.707 46 HA GLU 10 HA GLU 10 -3.338 -14.085 -1.076 47 HB2 GLU 10 1HB GLU 10 -3.826 -16.270 -1.967 48 HB3 GLU 10 2HB GLU 10 -2.551 -16.115 -3.168 49 HG2 GLU 10 1HG GLU 10 -0.905 -16.017 -1.296 50 HG3 GLU 10 2HG GLU 10 -2.228 -16.389 -0.192 51 H GLU 11 H GLU 11 -1.278 -14.476 -3.966 52 HA GLU 11 HA GLU 11 1.152 -13.931 -2.734 53 HB2 GLU 11 1HB GLU 11 2.024 -13.484 -4.962 54 HB3 GLU 11 2HB GLU 11 0.943 -14.870 -4.999 55 HG2 GLU 11 1HG GLU 11 -0.030 -12.122 -5.679 56 HG3 GLU 11 2HG GLU 11 0.772 -13.138 -6.876 57 H LEU 12 H LEU 12 -1.427 -11.818 -3.449 58 HA LEU 12 HA LEU 12 0.191 -9.419 -3.524 59 HB2 LEU 12 1HB LEU 12 -1.859 -9.600 -4.856 60 HB3 LEU 12 2HB LEU 12 -2.802 -9.766 -3.376 61 HG LEU 12 HG LEU 12 -2.116 -7.474 -2.733 62 HD11 LEU 12 1HD1 LEU 12 -1.298 -6.692 -5.409 63 HD12 LEU 12 2HD1 LEU 12 -0.159 -7.798 -4.642 64 HD13 LEU 12 3HD1 LEU 12 -0.593 -6.287 -3.844 65 HD21 LEU 12 1HD2 LEU 12 -3.890 -6.608 -3.806 66 HD22 LEU 12 2HD2 LEU 12 -4.097 -8.250 -4.414 67 HD23 LEU 12 3HD2 LEU 12 -3.270 -7.043 -5.399 68 H LEU 13 H LEU 13 -2.439 -10.575 -1.402 69 HA LEU 13 HA LEU 13 -2.178 -8.704 0.609 70 HB2 LEU 13 1HB LEU 13 -4.045 -10.093 0.718 71 HB3 LEU 13 2HB LEU 13 -3.076 -11.561 0.602 72 HG LEU 13 HG LEU 13 -2.223 -11.058 2.914 73 HD11 LEU 13 1HD1 LEU 13 -2.940 -9.306 4.133 74 HD12 LEU 13 2HD1 LEU 13 -4.562 -9.350 3.442 75 HD13 LEU 13 3HD1 LEU 13 -3.244 -8.592 2.549 76 HD21 LEU 13 1HD2 LEU 13 -4.045 -12.682 2.377 77 HD22 LEU 13 2HD2 LEU 13 -5.211 -11.408 2.732 78 HD23 LEU 13 3HD2 LEU 13 -4.133 -11.994 3.999 79 H ARG 14 H ARG 14 -0.611 -11.898 0.420 80 HA ARG 14 HA ARG 14 0.852 -11.730 2.788 81 HB2 ARG 14 1HB ARG 14 1.135 -13.275 0.252 82 HB3 ARG 14 2HB ARG 14 2.484 -13.272 1.380 83 HG2 ARG 14 1HG ARG 14 0.682 -13.917 3.134 84 HG3 ARG 14 2HG ARG 14 -0.261 -14.389 1.719 85 HD2 ARG 14 1HD ARG 14 0.825 -16.356 2.257 86 HD3 ARG 14 2HD ARG 14 1.891 -15.667 1.032 87 HE ARG 14 HE ARG 14 2.650 -14.881 3.664 88 HH11 ARG 14 2HH1 ARG 14 2.810 -17.494 1.368 89 HH12 ARG 14 1HH1 ARG 14 4.265 -18.161 2.032 90 HH21 ARG 14 2HH2 ARG 14 4.566 -15.750 4.546 91 HH22 ARG 14 1HH2 ARG 14 5.263 -17.168 3.839 92 H TRP 15 H TRP 15 1.983 -11.057 -0.529 93 HA TRP 15 HA TRP 15 4.519 -10.159 0.056 94 HB2 TRP 15 1HB TRP 15 3.795 -10.495 -2.231 95 HB3 TRP 15 2HB TRP 15 2.623 -9.187 -2.091 96 HD1 TRP 15 HD TRP 15 6.417 -9.779 -2.338 97 HE1 TRP 15 1HE TRP 15 7.523 -7.604 -3.160 98 HE3 TRP 15 3HE TRP 15 2.335 -6.702 -2.240 99 HZ2 TRP 15 2HZ TRP 15 6.766 -4.939 -3.695 100 HZ3 TRP 15 3HZ TRP 15 2.610 -4.354 -2.921 101 HH2 TRP 15 HH TRP 15 4.782 -3.492 -3.633 102 H CYS 16 H CYS 16 1.481 -8.361 0.159 103 HA CYS 16 HA CYS 16 2.664 -5.836 0.706 104 HB2 CYS 16 1HB CYS 16 -0.139 -6.861 1.191 105 HB3 CYS 16 2HB CYS 16 0.351 -5.184 1.389 106 HG CYS 16 HG CYS 16 -0.255 -6.919 -1.427 107 H GLN 17 H GLN 17 1.370 -8.422 2.730 108 HA GLN 17 HA GLN 17 1.426 -7.104 5.190 109 HB2 GLN 17 1HB GLN 17 1.685 -10.001 4.427 110 HB3 GLN 17 2HB GLN 17 1.756 -9.488 6.107 111 HG2 GLN 17 1HG GLN 17 -0.460 -8.617 6.013 112 HG3 GLN 17 2HG GLN 17 -0.535 -8.855 4.268 113 HE21 GLN 17 1HE2 GLN 17 -2.431 -9.862 6.047 114 HE22 GLN 17 2HE2 GLN 17 -2.349 -11.587 6.022 115 H GLU 18 H GLU 18 3.951 -8.894 3.480 116 HA GLU 18 HA GLU 18 5.874 -8.793 5.548 117 HB2 GLU 18 1HB GLU 18 6.048 -9.210 2.575 118 HB3 GLU 18 2HB GLU 18 7.497 -9.125 3.567 119 HG2 GLU 18 1HG GLU 18 5.304 -11.007 4.308 120 HG3 GLU 18 2HG GLU 18 6.427 -11.423 3.014 121 H GLN 19 H GLN 19 5.185 -6.665 2.811 122 HA GLN 19 HA GLN 19 7.398 -4.939 3.213 123 HB2 GLN 19 1HB GLN 19 4.763 -4.495 1.803 124 HB3 GLN 19 2HB GLN 19 6.108 -3.362 1.760 125 HG2 GLN 19 1HG GLN 19 5.867 -6.062 0.514 126 HG3 GLN 19 2HG GLN 19 6.355 -4.531 -0.212 127 HE21 GLN 19 1HE2 GLN 19 7.588 -7.297 0.042 128 HE22 GLN 19 2HE2 GLN 19 9.198 -6.983 0.583 129 H THR 20 H THR 20 3.949 -4.589 4.032 130 HA THR 20 HA THR 20 4.261 -2.148 5.424 131 HB THR 20 HB THR 20 2.012 -2.626 6.370 132 HG1 THR 20 1HG THR 20 2.563 -5.140 5.221 133 HG21 THR 20 1HG2 THR 20 1.794 -3.362 3.497 134 HG22 THR 20 2HG2 THR 20 2.590 -1.841 3.901 135 HG23 THR 20 3HG2 THR 20 0.929 -2.133 4.417 136 H ALA 21 H ALA 21 4.970 -5.378 6.273 137 HA ALA 21 HA ALA 21 4.548 -5.400 9.027 138 HB1 ALA 21 1HB ALA 21 6.934 -6.823 8.520 139 HB2 ALA 21 2HB ALA 21 5.301 -7.461 8.714 140 HB3 ALA 21 3HB ALA 21 5.892 -7.027 7.111 141 H GLY 22 H GLY 22 5.606 -4.584 10.754 142 HA2 GLY 22 1HA GLY 22 7.723 -3.895 11.771 143 HA3 GLY 22 2HA GLY 22 8.130 -3.140 10.237 144 H TYR 23 H TYR 23 5.743 -1.824 9.678 145 HA TYR 23 HA TYR 23 6.061 0.556 11.108 146 HB2 TYR 23 1HB TYR 23 4.983 0.192 8.811 147 HB3 TYR 23 2HB TYR 23 3.513 -0.211 9.692 148 HD1 TYR 23 2HD TYR 23 3.174 1.656 11.743 149 HD2 TYR 23 1HD TYR 23 4.934 2.312 7.925 150 HE1 TYR 23 2HE TYR 23 2.609 4.045 11.900 151 HE2 TYR 23 1HE TYR 23 4.375 4.703 8.071 152 HH TYR 23 HH TYR 23 3.238 6.261 9.215 153 HA PRO 24 HA PRO 24 3.903 -0.473 14.854 154 HB2 PRO 24 1HB PRO 24 4.032 2.003 15.959 155 HB3 PRO 24 2HB PRO 24 5.413 0.899 15.909 156 HG2 PRO 24 1HG PRO 24 4.766 3.208 14.115 157 HG3 PRO 24 2HG PRO 24 6.326 2.740 14.820 158 HD2 PRO 24 1HD PRO 24 5.656 2.171 12.259 159 HD3 PRO 24 2HD PRO 24 6.699 1.113 13.230 160 H GLY 25 H GLY 25 1.778 -0.851 14.424 161 HA2 GLY 25 1HA GLY 25 -0.438 -0.028 14.910 162 HA3 GLY 25 2HA GLY 25 0.044 1.525 14.244 163 H VAL 26 H VAL 26 1.070 -1.248 12.510 164 HA VAL 26 HA VAL 26 -1.148 -0.909 10.599 165 HB VAL 26 HB VAL 26 1.794 -1.185 9.994 166 HG11 VAL 26 1HG1 VAL 26 -0.531 -1.353 8.079 167 HG12 VAL 26 2HG1 VAL 26 1.175 -1.309 7.631 168 HG13 VAL 26 3HG1 VAL 26 0.534 -2.682 8.535 169 HG21 VAL 26 1HG2 VAL 26 1.755 1.000 9.570 170 HG22 VAL 26 2HG2 VAL 26 0.320 0.843 8.559 171 HG23 VAL 26 3HG2 VAL 26 0.152 1.044 10.303 172 H HIS 27 H HIS 27 -2.292 -2.725 10.583 173 HA HIS 27 HA HIS 27 -0.851 -5.287 10.487 174 HB2 HIS 27 1HB HIS 27 -1.967 -4.709 12.752 175 HB3 HIS 27 2HB HIS 27 -3.484 -5.024 11.915 176 HD1 HIS 27 1HD HIS 27 -2.537 -6.775 14.283 177 HD2 HIS 27 2HD HIS 27 -1.877 -7.669 10.280 178 HE1 HIS 27 1HE HIS 27 -2.190 -9.263 14.199 179 HE2 HIS 27 2HE HIS 27 -1.708 -9.770 11.779 180 H VAL 28 H VAL 28 -1.130 -5.382 8.249 181 HA VAL 28 HA VAL 28 -3.759 -5.166 7.082 182 HB VAL 28 HB VAL 28 -1.128 -6.043 5.885 183 HG11 VAL 28 1HG1 VAL 28 -2.242 -5.781 3.710 184 HG12 VAL 28 2HG1 VAL 28 -2.974 -7.062 4.680 185 HG13 VAL 28 3HG1 VAL 28 -3.771 -5.494 4.540 186 HG21 VAL 28 1HG2 VAL 28 -1.215 -3.690 6.583 187 HG22 VAL 28 2HG2 VAL 28 -1.127 -3.851 4.828 188 HG23 VAL 28 3HG2 VAL 28 -2.663 -3.460 5.603 189 H SER 29 H SER 29 -5.130 -6.752 7.686 190 HA SER 29 HA SER 29 -4.207 -9.537 7.459 191 HB2 SER 29 1HB SER 29 -6.151 -10.102 8.896 192 HB3 SER 29 2HB SER 29 -5.038 -8.981 9.681 193 HG SER 29 HG SER 29 -7.183 -7.941 8.214 194 H ASP 30 H ASP 30 -6.044 -7.195 5.918 195 HA ASP 30 HA ASP 30 -7.006 -9.068 3.974 196 HB2 ASP 30 1HB ASP 30 -9.086 -7.508 5.517 197 HB3 ASP 30 2HB ASP 30 -9.372 -8.656 4.213 198 H LEU 31 H LEU 31 -8.541 -7.791 2.380 199 HA LEU 31 HA LEU 31 -7.297 -5.155 1.956 200 HB2 LEU 31 1HB LEU 31 -8.496 -6.893 -0.183 201 HB3 LEU 31 2HB LEU 31 -7.454 -5.485 -0.383 202 HG LEU 31 HG LEU 31 -6.414 -7.936 0.984 203 HD11 LEU 31 1HD1 LEU 31 -6.523 -7.504 -1.997 204 HD12 LEU 31 2HD1 LEU 31 -7.404 -8.737 -1.095 205 HD13 LEU 31 3HD1 LEU 31 -5.642 -8.788 -1.167 206 HD21 LEU 31 1HD2 LEU 31 -4.302 -7.118 0.293 207 HD22 LEU 31 2HD2 LEU 31 -5.187 -5.734 0.936 208 HD23 LEU 31 3HD2 LEU 31 -5.035 -5.951 -0.808 209 H SER 32 H SER 32 -9.399 -5.088 3.598 210 HA SER 32 HA SER 32 -11.536 -3.972 1.910 211 HB2 SER 32 1HB SER 32 -11.769 -5.851 4.238 212 HB3 SER 32 2HB SER 32 -13.069 -4.711 3.896 213 HG SER 32 HG SER 32 -12.269 -6.959 2.502 214 H SER 33 H SER 33 -10.787 -4.160 5.391 215 HA SER 33 HA SER 33 -11.049 -1.227 5.501 216 HB2 SER 33 1HB SER 33 -12.769 -2.671 6.743 217 HB3 SER 33 2HB SER 33 -11.456 -3.075 7.849 218 HG SER 33 HG SER 33 -12.945 -0.819 7.701 219 H SER 34 H SER 34 -9.037 -3.937 6.117 220 HA SER 34 HA SER 34 -7.349 -3.065 8.120 221 HB2 SER 34 1HB SER 34 -7.039 -4.870 5.773 222 HB3 SER 34 2HB SER 34 -5.566 -4.343 6.588 223 HG SER 34 HG SER 34 -7.636 -5.221 8.216 224 H TRP 35 H TRP 35 -7.556 -2.021 4.802 225 HA TRP 35 HA TRP 35 -5.145 -0.384 5.099 226 HB2 TRP 35 1HB TRP 35 -6.855 -0.931 2.663 227 HB3 TRP 35 2HB TRP 35 -5.379 0.031 2.675 228 HD1 TRP 35 HD TRP 35 -6.474 -3.614 3.430 229 HE1 TRP 35 1HE TRP 35 -4.521 -5.171 2.811 230 HE3 TRP 35 3HE TRP 35 -3.010 -0.088 2.127 231 HZ2 TRP 35 2HZ TRP 35 -1.862 -4.935 1.893 232 HZ3 TRP 35 3HZ TRP 35 -0.785 -0.837 1.389 233 HH2 TRP 35 HH TRP 35 -0.225 -3.211 1.276 234 H ALA 36 H ALA 36 -8.613 -0.168 4.818 235 HA ALA 36 HA ALA 36 -9.146 2.361 4.038 236 HB1 ALA 36 1HB ALA 36 -10.344 0.862 6.358 237 HB2 ALA 36 2HB ALA 36 -11.004 2.372 5.727 238 HB3 ALA 36 3HB ALA 36 -10.935 0.942 4.698 239 H ASP 37 H ASP 37 -7.729 1.412 7.116 240 HA ASP 37 HA ASP 37 -7.924 3.725 8.581 241 HB2 ASP 37 1HB ASP 37 -5.870 3.038 9.725 242 HB3 ASP 37 2HB ASP 37 -6.918 1.652 9.437 243 H GLY 38 H GLY 38 -5.500 2.944 6.106 244 HA2 GLY 38 1HA GLY 38 -4.855 4.778 4.604 245 HA3 GLY 38 2HA GLY 38 -4.833 5.821 6.017 246 H LEU 39 H LEU 39 -3.469 4.155 7.805 247 HA LEU 39 HA LEU 39 -0.813 4.757 7.238 248 HB2 LEU 39 1HB LEU 39 -2.206 3.015 9.194 249 HB3 LEU 39 2HB LEU 39 -0.471 2.781 8.989 250 HG LEU 39 HG LEU 39 -1.781 5.390 9.752 251 HD11 LEU 39 1HD1 LEU 39 -1.993 3.623 11.479 252 HD12 LEU 39 2HD1 LEU 39 -0.991 4.985 11.981 253 HD13 LEU 39 3HD1 LEU 39 -0.234 3.470 11.485 254 HD21 LEU 39 1HD2 LEU 39 1.100 4.526 9.556 255 HD22 LEU 39 2HD2 LEU 39 0.559 6.011 10.339 256 HD23 LEU 39 3HD2 LEU 39 0.290 5.776 8.611 257 H ALA 40 H ALA 40 -2.537 1.671 6.890 258 HA ALA 40 HA ALA 40 -0.685 -0.120 6.217 259 HB1 ALA 40 1HB ALA 40 -2.251 -0.992 4.454 260 HB2 ALA 40 2HB ALA 40 -2.974 -0.722 6.041 261 HB3 ALA 40 3HB ALA 40 -3.246 0.436 4.738 262 H LEU 41 H LEU 41 -2.079 1.922 3.643 263 HA LEU 41 HA LEU 41 -0.250 1.317 1.665 264 HB2 LEU 41 1HB LEU 41 -2.048 3.610 2.215 265 HB3 LEU 41 2HB LEU 41 -0.804 3.834 0.987 266 HG LEU 41 HG LEU 41 -2.899 1.662 0.948 267 HD11 LEU 41 1HD1 LEU 41 -2.736 4.220 -0.638 268 HD12 LEU 41 2HD1 LEU 41 -3.880 3.885 0.661 269 HD13 LEU 41 3HD1 LEU 41 -3.942 2.948 -0.831 270 HD21 LEU 41 1HD2 LEU 41 -0.763 2.499 -1.002 271 HD22 LEU 41 2HD2 LEU 41 -2.132 1.476 -1.439 272 HD23 LEU 41 3HD2 LEU 41 -0.971 0.927 -0.229 273 H CYS 42 H CYS 42 -0.086 3.895 4.095 274 HA CYS 42 HA CYS 42 2.159 5.243 3.268 275 HB2 CYS 42 1HB CYS 42 1.554 4.557 6.150 276 HB3 CYS 42 2HB CYS 42 2.461 5.944 5.557 277 HG CYS 42 HG CYS 42 -0.625 5.810 4.308 278 H ALA 43 H ALA 43 2.173 2.576 5.641 279 HA ALA 43 HA ALA 43 4.875 2.239 5.931 280 HB1 ALA 43 1HB ALA 43 2.591 0.317 6.039 281 HB2 ALA 43 2HB ALA 43 4.246 -0.266 6.222 282 HB3 ALA 43 3HB ALA 43 3.604 0.932 7.345 283 H LEU 44 H LEU 44 2.811 0.747 3.449 284 HA LEU 44 HA LEU 44 4.744 -0.783 2.170 285 HB2 LEU 44 1HB LEU 44 2.475 -1.111 1.598 286 HB3 LEU 44 2HB LEU 44 2.270 0.581 1.148 287 HG LEU 44 HG LEU 44 3.884 0.111 -0.761 288 HD11 LEU 44 1HD1 LEU 44 3.127 -2.735 -0.632 289 HD12 LEU 44 2HD1 LEU 44 4.379 -2.211 0.492 290 HD13 LEU 44 3HD1 LEU 44 4.596 -1.974 -1.242 291 HD21 LEU 44 1HD2 LEU 44 1.294 0.216 -0.780 292 HD22 LEU 44 2HD2 LEU 44 1.395 -1.531 -1.001 293 HD23 LEU 44 3HD2 LEU 44 2.141 -0.449 -2.178 294 H VAL 45 H VAL 45 3.801 2.587 1.582 295 HA VAL 45 HA VAL 45 5.611 2.999 -0.566 296 HB VAL 45 HB VAL 45 4.314 5.020 1.267 297 HG11 VAL 45 1HG1 VAL 45 6.417 5.419 -0.492 298 HG12 VAL 45 2HG1 VAL 45 4.991 5.920 -1.402 299 HG13 VAL 45 3HG1 VAL 45 5.345 6.656 0.161 300 HG21 VAL 45 1HG2 VAL 45 3.475 3.719 -1.295 301 HG22 VAL 45 2HG2 VAL 45 2.553 3.957 0.188 302 HG23 VAL 45 3HG2 VAL 45 2.889 5.327 -0.870 303 H TYR 46 H TYR 46 5.696 4.367 2.730 304 HA TYR 46 HA TYR 46 8.218 5.430 2.695 305 HB2 TYR 46 1HB TYR 46 6.682 4.142 4.946 306 HB3 TYR 46 2HB TYR 46 8.237 4.924 5.202 307 HD1 TYR 46 1HD TYR 46 8.437 7.386 4.427 308 HD2 TYR 46 2HD TYR 46 4.723 5.399 5.025 309 HE1 TYR 46 1HE TYR 46 7.313 9.564 4.637 310 HE2 TYR 46 2HE TYR 46 3.588 7.570 5.236 311 HH TYR 46 HH TYR 46 5.406 10.615 5.091 312 H ARG 47 H ARG 47 7.308 2.082 3.402 313 HA ARG 47 HA ARG 47 9.920 1.194 4.048 314 HB2 ARG 47 1HB ARG 47 8.047 -0.105 4.782 315 HB3 ARG 47 2HB ARG 47 7.449 -0.279 3.138 316 HG2 ARG 47 1HG ARG 47 8.408 -2.321 3.430 317 HG3 ARG 47 2HG ARG 47 9.785 -1.436 2.769 318 HD2 ARG 47 1HD ARG 47 10.285 -0.905 5.273 319 HD3 ARG 47 2HD ARG 47 9.254 -2.302 5.581 320 HE ARG 47 HE ARG 47 11.321 -2.811 3.655 321 HH11 ARG 47 2HH1 ARG 47 10.542 -2.707 7.047 322 HH12 ARG 47 1HH1 ARG 47 11.792 -3.818 7.502 323 HH21 ARG 47 2HH2 ARG 47 12.971 -4.273 4.242 324 HH22 ARG 47 1HH2 ARG 47 13.173 -4.708 5.905 325 H LEU 48 H LEU 48 7.975 0.812 1.084 326 HA LEU 48 HA LEU 48 9.692 -0.550 -0.520 327 HB2 LEU 48 1HB LEU 48 7.698 1.588 -1.029 328 HB3 LEU 48 2HB LEU 48 8.780 1.149 -2.350 329 HG LEU 48 HG LEU 48 6.977 -0.788 -0.901 330 HD11 LEU 48 1HD1 LEU 48 5.752 -0.727 -3.135 331 HD12 LEU 48 2HD1 LEU 48 6.604 0.788 -3.428 332 HD13 LEU 48 3HD1 LEU 48 5.518 0.643 -2.047 333 HD21 LEU 48 1HD2 LEU 48 7.649 -1.734 -3.430 334 HD22 LEU 48 2HD2 LEU 48 8.258 -2.319 -1.881 335 HD23 LEU 48 3HD2 LEU 48 9.154 -1.089 -2.774 336 H GLN 49 H GLN 49 9.782 2.929 0.147 337 HA GLN 49 HA GLN 49 12.553 2.957 -0.832 338 HB2 GLN 49 1HB GLN 49 11.161 3.982 -2.551 339 HB3 GLN 49 2HB GLN 49 10.449 5.062 -1.360 340 HG2 GLN 49 1HG GLN 49 12.664 6.070 -0.989 341 HG3 GLN 49 2HG GLN 49 13.324 5.027 -2.248 342 HE21 GLN 49 1HE2 GLN 49 11.185 5.145 -4.049 343 HE22 GLN 49 2HE2 GLN 49 11.112 6.743 -4.704 344 HA PRO 50 HA PRO 50 12.774 4.520 3.404 345 HB2 PRO 50 1HB PRO 50 15.441 4.074 3.653 346 HB3 PRO 50 2HB PRO 50 14.230 2.803 3.859 347 HG2 PRO 50 1HG PRO 50 15.928 3.436 1.475 348 HG3 PRO 50 2HG PRO 50 15.531 1.857 2.180 349 HD2 PRO 50 1HD PRO 50 14.276 2.831 -0.014 350 HD3 PRO 50 2HD PRO 50 13.462 1.784 1.167 351 H GLY 51 H GLY 51 14.325 5.518 0.490 352 HA2 GLY 51 1HA GLY 51 15.882 7.656 1.513 353 HA3 GLY 51 2HA GLY 51 15.344 7.475 -0.150 354 H LEU 52 H LEU 52 12.505 7.372 0.664 355 HA LEU 52 HA LEU 52 11.985 10.171 0.533 356 HB2 LEU 52 1HB LEU 52 10.343 7.693 0.641 357 HB3 LEU 52 2HB LEU 52 9.564 9.230 1.012 358 HG LEU 52 HG LEU 52 11.128 9.041 -1.509 359 HD11 LEU 52 1HD1 LEU 52 8.323 7.975 -1.333 360 HD12 LEU 52 2HD1 LEU 52 9.746 6.935 -1.308 361 HD13 LEU 52 3HD1 LEU 52 9.421 7.947 -2.714 362 HD21 LEU 52 1HD2 LEU 52 8.842 10.289 -2.107 363 HD22 LEU 52 2HD2 LEU 52 10.226 11.117 -1.395 364 HD23 LEU 52 3HD2 LEU 52 8.886 10.600 -0.372 365 H LEU 53 H LEU 53 10.801 11.444 2.044 366 HA LEU 53 HA LEU 53 11.730 11.474 4.620 367 HB2 LEU 53 1HB LEU 53 9.964 12.999 5.153 368 HB3 LEU 53 2HB LEU 53 10.512 13.311 3.507 369 HG LEU 53 HG LEU 53 8.254 13.482 3.224 370 HD11 LEU 53 1HD1 LEU 53 7.374 11.360 2.288 371 HD12 LEU 53 2HD1 LEU 53 8.795 10.533 2.922 372 HD13 LEU 53 3HD1 LEU 53 8.980 11.783 1.692 373 HD21 LEU 53 1HD2 LEU 53 7.927 11.329 5.308 374 HD22 LEU 53 2HD2 LEU 53 6.598 12.071 4.419 375 HD23 LEU 53 3HD2 LEU 53 7.595 13.050 5.494 376 H GLU 54 H GLU 54 10.125 11.386 6.604 377 HA GLU 54 HA GLU 54 8.952 8.687 6.586 378 HB2 GLU 54 1HB GLU 54 9.275 8.837 9.102 379 HB3 GLU 54 2HB GLU 54 10.737 8.713 8.133 380 HG2 GLU 54 1HG GLU 54 10.985 11.179 8.299 381 HG3 GLU 54 2HG GLU 54 9.611 11.196 9.403 382 HA PRO 55 HA PRO 55 4.953 10.251 7.488 383 HB2 PRO 55 1HB PRO 55 3.979 8.335 9.146 384 HB3 PRO 55 2HB PRO 55 4.210 8.079 7.413 385 HG2 PRO 55 1HG PRO 55 5.962 7.262 9.699 386 HG3 PRO 55 2HG PRO 55 5.501 6.338 8.257 387 HD2 PRO 55 1HD PRO 55 7.896 7.580 8.489 388 HD3 PRO 55 2HD PRO 55 7.067 7.389 6.931 389 H SER 56 H SER 56 7.378 10.516 9.604 390 HA SER 56 HA SER 56 6.687 10.692 12.153 391 HB2 SER 56 1HB SER 56 7.968 12.814 12.351 392 HB3 SER 56 2HB SER 56 8.790 11.615 11.351 393 HG SER 56 HG SER 56 7.498 12.842 9.598 394 H GLU 57 H GLU 57 5.386 12.786 9.642 395 HA GLU 57 HA GLU 57 3.852 14.360 11.516 396 HB2 GLU 57 1HB GLU 57 3.620 14.290 8.505 397 HB3 GLU 57 2HB GLU 57 3.033 15.547 9.585 398 HG2 GLU 57 1HG GLU 57 5.943 14.854 9.399 399 HG3 GLU 57 2HG GLU 57 5.179 15.999 8.298 400 H LEU 58 H LEU 58 3.175 11.915 9.033 401 HA LEU 58 HA LEU 58 0.441 11.832 9.094 402 HB2 LEU 58 1HB LEU 58 2.537 9.755 8.695 403 HB3 LEU 58 2HB LEU 58 0.856 9.243 8.834 404 HG LEU 58 HG LEU 58 0.329 10.790 6.926 405 HD11 LEU 58 1HD1 LEU 58 3.202 11.309 7.222 406 HD12 LEU 58 2HD1 LEU 58 1.929 12.311 6.525 407 HD13 LEU 58 3HD1 LEU 58 2.662 11.025 5.567 408 HD21 LEU 58 1HD2 LEU 58 2.235 9.028 5.658 409 HD22 LEU 58 2HD2 LEU 58 0.472 8.987 5.633 410 HD23 LEU 58 3HD2 LEU 58 1.354 8.205 6.946 411 H GLN 59 H GLN 59 2.626 10.952 11.604 412 HA GLN 59 HA GLN 59 1.144 9.125 13.077 413 HB2 GLN 59 1HB GLN 59 3.079 11.271 13.929 414 HB3 GLN 59 2HB GLN 59 2.355 10.152 15.077 415 HG2 GLN 59 1HG GLN 59 3.751 9.089 12.668 416 HG3 GLN 59 2HG GLN 59 4.691 9.658 14.047 417 HE21 GLN 59 1HE2 GLN 59 4.666 7.010 13.112 418 HE22 GLN 59 2HE2 GLN 59 3.983 6.009 14.343 419 H GLY 60 H GLY 60 0.899 12.637 12.926 420 HA2 GLY 60 1HA GLY 60 -1.420 12.494 14.746 421 HA3 GLY 60 2HA GLY 60 -0.417 13.920 14.526 422 H LEU 61 H LEU 61 -1.846 11.756 12.103 423 HA LEU 61 HA LEU 61 -3.372 14.062 11.085 424 HB2 LEU 61 1HB LEU 61 -1.758 11.996 9.651 425 HB3 LEU 61 2HB LEU 61 -3.130 12.753 8.845 426 HG LEU 61 HG LEU 61 -0.811 14.295 9.999 427 HD11 LEU 61 1HD1 LEU 61 -0.826 12.639 7.716 428 HD12 LEU 61 2HD1 LEU 61 0.416 13.780 8.229 429 HD13 LEU 61 3HD1 LEU 61 -0.875 14.308 7.149 430 HD21 LEU 61 1HD2 LEU 61 -2.779 15.167 7.905 431 HD22 LEU 61 2HD2 LEU 61 -1.688 16.157 8.874 432 HD23 LEU 61 3HD2 LEU 61 -3.086 15.390 9.627 433 H GLY 62 H GLY 62 -5.247 13.379 9.675 434 HA2 GLY 62 1HA GLY 62 -6.865 11.531 11.163 435 HA3 GLY 62 2HA GLY 62 -7.356 12.436 9.738 436 H ALA 63 H ALA 63 -7.984 9.706 10.299 437 HA ALA 63 HA ALA 63 -6.440 7.759 9.163 438 HB1 ALA 63 1HB ALA 63 -8.282 6.451 9.218 439 HB2 ALA 63 2HB ALA 63 -8.934 7.806 10.142 440 HB3 ALA 63 3HB ALA 63 -9.296 7.655 8.424 441 H LEU 64 H LEU 64 -8.354 10.206 7.521 442 HA LEU 64 HA LEU 64 -7.901 9.063 4.908 443 HB2 LEU 64 1HB LEU 64 -9.870 10.578 5.836 444 HB3 LEU 64 2HB LEU 64 -8.819 11.868 5.256 445 HG LEU 64 HG LEU 64 -8.899 10.929 3.003 446 HD11 LEU 64 1HD1 LEU 64 -11.100 9.130 3.317 447 HD12 LEU 64 2HD1 LEU 64 -9.759 8.607 4.335 448 HD13 LEU 64 3HD1 LEU 64 -9.514 8.837 2.604 449 HD21 LEU 64 1HD2 LEU 64 -10.814 12.384 4.216 450 HD22 LEU 64 2HD2 LEU 64 -11.767 11.002 3.677 451 HD23 LEU 64 3HD2 LEU 64 -10.848 11.949 2.507 452 H GLU 65 H GLU 65 -6.833 11.974 6.653 453 HA GLU 65 HA GLU 65 -5.273 13.207 4.803 454 HB2 GLU 65 1HB GLU 65 -4.860 12.810 7.752 455 HB3 GLU 65 2HB GLU 65 -3.707 13.731 6.798 456 HG2 GLU 65 1HG GLU 65 -6.634 14.335 7.144 457 HG3 GLU 65 2HG GLU 65 -5.283 15.213 7.859 458 H ALA 66 H ALA 66 -4.499 10.279 6.589 459 HA ALA 66 HA ALA 66 -1.784 10.088 5.839 460 HB1 ALA 66 1HB ALA 66 -3.327 7.594 6.258 461 HB2 ALA 66 2HB ALA 66 -1.779 8.101 6.936 462 HB3 ALA 66 3HB ALA 66 -3.283 8.751 7.589 463 H THR 67 H THR 67 -4.522 8.143 4.625 464 HA THR 67 HA THR 67 -3.344 6.868 2.541 465 HB THR 67 HB THR 67 -6.078 8.129 2.290 466 HG1 THR 67 1HG THR 67 -6.162 7.054 4.209 467 HG21 THR 67 1HG2 THR 67 -5.461 7.097 0.251 468 HG22 THR 67 2HG2 THR 67 -6.503 5.937 1.076 469 HG23 THR 67 3HG2 THR 67 -4.754 5.710 1.079 470 H ALA 68 H ALA 68 -4.515 10.205 2.548 471 HA ALA 68 HA ALA 68 -4.277 10.849 -0.122 472 HB1 ALA 68 1HB ALA 68 -3.738 12.527 2.319 473 HB2 ALA 68 2HB ALA 68 -3.790 13.179 0.680 474 HB3 ALA 68 3HB ALA 68 -5.226 12.430 1.377 475 H TRP 69 H TRP 69 -1.746 11.147 2.372 476 HA TRP 69 HA TRP 69 0.305 12.065 0.747 477 HB2 TRP 69 1HB TRP 69 0.547 12.042 3.150 478 HB3 TRP 69 2HB TRP 69 0.431 10.286 3.188 479 HD1 TRP 69 HD TRP 69 2.873 13.111 2.401 480 HE1 TRP 69 1HE TRP 69 5.246 12.130 2.223 481 HE3 TRP 69 3HE TRP 69 1.711 8.137 2.597 482 HZ2 TRP 69 2HZ TRP 69 6.464 9.585 2.172 483 HZ3 TRP 69 3HZ TRP 69 3.538 6.493 2.478 484 HH2 TRP 69 HH TRP 69 5.865 7.204 2.269 485 H ALA 70 H ALA 70 -0.148 8.682 1.796 486 HA ALA 70 HA ALA 70 1.736 7.394 0.366 487 HB1 ALA 70 1HB ALA 70 -0.106 6.422 1.851 488 HB2 ALA 70 2HB ALA 70 -1.066 6.322 0.374 489 HB3 ALA 70 3HB ALA 70 0.457 5.441 0.497 490 H LEU 71 H LEU 71 -1.524 8.041 -0.942 491 HA LEU 71 HA LEU 71 -1.071 7.150 -3.527 492 HB2 LEU 71 1HB LEU 71 -2.894 9.268 -2.430 493 HB3 LEU 71 2HB LEU 71 -2.882 8.846 -4.141 494 HG LEU 71 HG LEU 71 -3.320 6.719 -2.084 495 HD11 LEU 71 1HD1 LEU 71 -4.875 8.524 -1.512 496 HD12 LEU 71 2HD1 LEU 71 -5.713 7.119 -2.168 497 HD13 LEU 71 3HD1 LEU 71 -5.458 8.542 -3.176 498 HD21 LEU 71 1HD2 LEU 71 -3.607 5.486 -3.904 499 HD22 LEU 71 2HD2 LEU 71 -3.297 6.895 -4.918 500 HD23 LEU 71 3HD2 LEU 71 -4.943 6.523 -4.404 501 H LYS 72 H LYS 72 -0.264 10.216 -2.034 502 HA LYS 72 HA LYS 72 0.445 11.527 -4.479 503 HB2 LYS 72 1HB LYS 72 -0.193 12.519 -2.126 504 HB3 LYS 72 2HB LYS 72 1.534 12.372 -1.823 505 HG2 LYS 72 1HG LYS 72 1.837 13.671 -4.008 506 HG3 LYS 72 2HG LYS 72 0.123 14.066 -3.850 507 HD2 LYS 72 1HD LYS 72 0.735 14.825 -1.468 508 HD3 LYS 72 2HD LYS 72 2.403 14.808 -2.045 509 HE2 LYS 72 1HE LYS 72 1.393 16.218 -4.017 510 HE3 LYS 72 2HE LYS 72 0.132 16.568 -2.837 511 HZ1 LYS 72 1HZ LYS 72 2.468 17.908 -3.074 512 HZ2 LYS 72 2HZ LYS 72 2.795 16.853 -1.792 513 HZ3 LYS 72 3HZ LYS 72 1.479 17.913 -1.701 514 H VAL 73 H VAL 73 2.477 10.578 -1.701 515 HA VAL 73 HA VAL 73 4.932 10.854 -2.972 516 HB VAL 73 HB VAL 73 4.085 9.080 -0.690 517 HG11 VAL 73 1HG1 VAL 73 6.722 9.282 -2.068 518 HG12 VAL 73 2HG1 VAL 73 6.677 9.041 -0.320 519 HG13 VAL 73 3HG1 VAL 73 5.910 7.869 -1.393 520 HG21 VAL 73 1HG2 VAL 73 5.334 11.769 -0.981 521 HG22 VAL 73 2HG2 VAL 73 4.057 11.231 0.111 522 HG23 VAL 73 3HG2 VAL 73 5.735 10.791 0.430 523 H ALA 74 H ALA 74 2.542 8.411 -3.329 524 HA ALA 74 HA ALA 74 4.366 6.446 -4.435 525 HB1 ALA 74 1HB ALA 74 1.373 6.493 -4.113 526 HB2 ALA 74 2HB ALA 74 2.251 5.168 -4.876 527 HB3 ALA 74 3HB ALA 74 2.548 5.564 -3.183 528 H GLU 75 H GLU 75 2.081 8.852 -5.564 529 HA GLU 75 HA GLU 75 2.289 7.961 -8.319 530 HB2 GLU 75 1HB GLU 75 0.136 8.771 -7.609 531 HB3 GLU 75 2HB GLU 75 0.839 10.276 -7.032 532 HG2 GLU 75 1HG GLU 75 0.978 9.461 -9.913 533 HG3 GLU 75 2HG GLU 75 -0.402 10.332 -9.247 534 H ASN 76 H ASN 76 3.855 10.155 -6.208 535 HA ASN 76 HA ASN 76 4.922 11.792 -8.366 536 HB2 ASN 76 1HB ASN 76 4.975 11.918 -5.380 537 HB3 ASN 76 2HB ASN 76 6.238 12.753 -6.281 538 HD21 ASN 76 1HD2 ASN 76 3.941 13.694 -4.621 539 HD22 ASN 76 2HD2 ASN 76 3.104 14.822 -5.628 540 H GLU 77 H GLU 77 6.268 9.807 -5.722 541 HA GLU 77 HA GLU 77 8.844 9.699 -7.027 542 HB2 GLU 77 1HB GLU 77 7.725 8.812 -4.419 543 HB3 GLU 77 2HB GLU 77 9.136 7.955 -5.024 544 HG2 GLU 77 1HG GLU 77 8.872 10.846 -4.293 545 HG3 GLU 77 2HG GLU 77 9.990 9.641 -3.655 546 H LEU 78 H LEU 78 6.908 7.039 -5.673 547 HA LEU 78 HA LEU 78 8.011 5.025 -7.222 548 HB2 LEU 78 1HB LEU 78 5.142 4.994 -6.346 549 HB3 LEU 78 2HB LEU 78 6.260 3.640 -6.493 550 HG LEU 78 HG LEU 78 6.313 5.790 -4.376 551 HD11 LEU 78 1HD1 LEU 78 6.030 3.587 -2.984 552 HD12 LEU 78 2HD1 LEU 78 5.328 2.982 -4.483 553 HD13 LEU 78 3HD1 LEU 78 4.631 4.394 -3.691 554 HD21 LEU 78 1HD2 LEU 78 8.483 4.452 -5.368 555 HD22 LEU 78 2HD2 LEU 78 7.987 3.423 -4.024 556 HD23 LEU 78 3HD2 LEU 78 8.352 5.126 -3.744 557 H GLY 79 H GLY 79 5.456 7.288 -7.981 558 HA2 GLY 79 1HA GLY 79 4.710 7.886 -10.104 559 HA3 GLY 79 2HA GLY 79 5.621 6.542 -10.775 560 H ILE 80 H ILE 80 3.845 5.403 -8.218 561 HA ILE 80 HA ILE 80 2.108 3.900 -9.889 562 HB ILE 80 HB ILE 80 1.958 4.289 -6.898 563 HG12 ILE 80 1HG1 ILE 80 4.141 3.416 -7.624 564 HG13 ILE 80 2HG1 ILE 80 3.221 2.193 -6.755 565 HG21 ILE 80 1HG2 ILE 80 0.678 2.242 -6.867 566 HG22 ILE 80 2HG2 ILE 80 -0.102 3.409 -7.934 567 HG23 ILE 80 3HG2 ILE 80 0.837 2.080 -8.616 568 HD11 ILE 80 1HD1 ILE 80 3.437 2.380 -9.749 569 HD12 ILE 80 2HD1 ILE 80 4.381 1.301 -8.723 570 HD13 ILE 80 3HD1 ILE 80 2.631 1.112 -8.825 571 H THR 81 H THR 81 0.852 5.348 -11.076 572 HA THR 81 HA THR 81 -0.551 7.541 -10.245 573 HB THR 81 HB THR 81 -1.468 5.448 -12.226 574 HG1 THR 81 1HG THR 81 -0.431 7.963 -12.926 575 HG21 THR 81 1HG2 THR 81 -3.221 7.086 -11.267 576 HG22 THR 81 2HG2 THR 81 -3.085 6.932 -13.018 577 HG23 THR 81 3HG2 THR 81 -2.359 8.313 -12.196 578 HA PRO 82 HA PRO 82 -3.510 6.107 -7.303 579 HB2 PRO 82 1HB PRO 82 -5.210 8.222 -7.396 580 HB3 PRO 82 2HB PRO 82 -3.634 8.291 -6.601 581 HG2 PRO 82 1HG PRO 82 -4.427 9.259 -9.320 582 HG3 PRO 82 2HG PRO 82 -3.407 10.051 -8.105 583 HD2 PRO 82 1HD PRO 82 -2.379 8.736 -10.238 584 HD3 PRO 82 2HD PRO 82 -1.551 8.804 -8.669 585 H VAL 83 H VAL 83 -4.449 4.329 -8.317 586 HA VAL 83 HA VAL 83 -6.346 4.610 -10.446 587 HB VAL 83 HB VAL 83 -4.860 2.555 -9.838 588 HG11 VAL 83 1HG1 VAL 83 -7.301 1.618 -8.401 589 HG12 VAL 83 2HG1 VAL 83 -5.646 1.013 -8.322 590 HG13 VAL 83 3HG1 VAL 83 -6.073 2.524 -7.519 591 HG21 VAL 83 1HG2 VAL 83 -7.361 1.346 -10.505 592 HG22 VAL 83 2HG2 VAL 83 -7.238 2.909 -11.314 593 HG23 VAL 83 3HG2 VAL 83 -5.983 1.692 -11.550 594 H VAL 84 H VAL 84 -6.493 4.495 -6.971 595 HA VAL 84 HA VAL 84 -9.435 4.631 -7.123 596 HB VAL 84 HB VAL 84 -7.701 3.397 -4.985 597 HG11 VAL 84 1HG1 VAL 84 -9.695 3.047 -3.668 598 HG12 VAL 84 2HG1 VAL 84 -9.495 4.771 -3.982 599 HG13 VAL 84 3HG1 VAL 84 -10.683 3.840 -4.894 600 HG21 VAL 84 1HG2 VAL 84 -9.436 1.508 -5.491 601 HG22 VAL 84 2HG2 VAL 84 -9.638 2.373 -7.013 602 HG23 VAL 84 3HG2 VAL 84 -8.052 1.750 -6.557 603 H SER 85 H SER 85 -10.493 6.029 -5.649 604 HA SER 85 HA SER 85 -8.996 8.427 -5.090 605 HB2 SER 85 1HB SER 85 -11.885 7.798 -4.443 606 HB3 SER 85 2HB SER 85 -11.137 9.395 -4.471 607 HG SER 85 HG SER 85 -11.727 7.674 -6.627 608 H ALA 86 H ALA 86 -8.092 8.980 -3.221 609 HA ALA 86 HA ALA 86 -7.539 7.428 -1.116 610 HB1 ALA 86 1HB ALA 86 -6.819 9.284 -0.021 611 HB2 ALA 86 2HB ALA 86 -7.062 9.994 -1.617 612 HB3 ALA 86 3HB ALA 86 -8.289 10.195 -0.366 613 H GLN 87 H GLN 87 -10.517 9.325 -1.441 614 HA GLN 87 HA GLN 87 -11.607 8.662 1.071 615 HB2 GLN 87 1HB GLN 87 -12.351 10.505 -0.520 616 HB3 GLN 87 2HB GLN 87 -13.210 9.257 -1.412 617 HG2 GLN 87 1HG GLN 87 -13.677 9.574 1.517 618 HG3 GLN 87 2HG GLN 87 -14.450 10.671 0.374 619 HE21 GLN 87 1HE2 GLN 87 -15.927 9.033 2.009 620 HE22 GLN 87 2HE2 GLN 87 -16.714 7.826 1.057 621 H ALA 88 H ALA 88 -12.166 7.259 -2.152 622 HA ALA 88 HA ALA 88 -14.021 5.325 -1.489 623 HB1 ALA 88 1HB ALA 88 -13.229 5.911 -3.788 624 HB2 ALA 88 2HB ALA 88 -11.797 4.927 -3.481 625 HB3 ALA 88 3HB ALA 88 -13.395 4.182 -3.486 626 H VAL 89 H VAL 89 -10.498 5.194 -1.213 627 HA VAL 89 HA VAL 89 -10.270 2.487 -0.504 628 HB VAL 89 HB VAL 89 -8.492 4.798 0.293 629 HG11 VAL 89 1HG1 VAL 89 -6.937 2.531 0.130 630 HG12 VAL 89 2HG1 VAL 89 -7.506 3.293 1.617 631 HG13 VAL 89 3HG1 VAL 89 -8.411 1.954 0.909 632 HG21 VAL 89 1HG2 VAL 89 -8.623 4.666 -2.087 633 HG22 VAL 89 2HG2 VAL 89 -7.084 3.957 -1.598 634 HG23 VAL 89 3HG2 VAL 89 -8.429 2.913 -2.058 635 H VAL 90 H VAL 90 -10.345 5.381 1.578 636 HA VAL 90 HA VAL 90 -10.422 3.900 4.004 637 HB VAL 90 HB VAL 90 -11.175 6.774 3.457 638 HG11 VAL 90 1HG1 VAL 90 -11.045 7.134 5.839 639 HG12 VAL 90 2HG1 VAL 90 -12.226 5.865 5.506 640 HG13 VAL 90 3HG1 VAL 90 -10.621 5.444 6.105 641 HG21 VAL 90 1HG2 VAL 90 -8.635 5.367 3.985 642 HG22 VAL 90 2HG2 VAL 90 -8.945 6.850 3.083 643 HG23 VAL 90 3HG2 VAL 90 -8.879 6.887 4.845 644 H ALA 91 H ALA 91 -12.936 5.970 2.538 645 HA ALA 91 HA ALA 91 -15.073 5.423 4.086 646 HB1 ALA 91 1HB ALA 91 -14.776 6.673 1.728 647 HB2 ALA 91 2HB ALA 91 -15.673 5.247 1.203 648 HB3 ALA 91 3HB ALA 91 -16.346 6.305 2.443 649 H GLY 92 H GLY 92 -13.837 3.320 1.511 650 HA2 GLY 92 1HA GLY 92 -13.942 0.984 1.470 651 HA3 GLY 92 2HA GLY 92 -15.068 1.033 2.817 652 H SER 93 H SER 93 -15.253 2.662 -0.329 653 HA SER 93 HA SER 93 -17.891 1.444 -0.713 654 HB2 SER 93 1HB SER 93 -18.004 3.807 -0.904 655 HB3 SER 93 2HB SER 93 -16.557 3.872 -1.909 656 HG SER 93 HG SER 93 -19.168 3.110 -2.588 657 H ASP 94 H ASP 94 -14.809 1.950 -2.379 658 HA ASP 94 HA ASP 94 -15.606 -0.104 -4.336 659 HB2 ASP 94 1HB ASP 94 -13.417 1.949 -4.683 660 HB3 ASP 94 2HB ASP 94 -14.103 0.894 -5.915 661 HA PRO 95 HA PRO 95 -12.411 -2.174 -1.781 662 HB2 PRO 95 1HB PRO 95 -13.462 -4.655 -2.111 663 HB3 PRO 95 2HB PRO 95 -14.035 -3.526 -0.878 664 HG2 PRO 95 1HG PRO 95 -15.199 -4.145 -3.565 665 HG3 PRO 95 2HG PRO 95 -16.024 -3.931 -2.011 666 HD2 PRO 95 1HD PRO 95 -15.923 -1.981 -3.886 667 HD3 PRO 95 2HD PRO 95 -15.953 -1.631 -2.147 668 H LEU 96 H LEU 96 -13.670 -2.846 -4.988 669 HA LEU 96 HA LEU 96 -11.639 -4.658 -5.787 670 HB2 LEU 96 1HB LEU 96 -13.666 -2.995 -7.224 671 HB3 LEU 96 2HB LEU 96 -12.408 -3.833 -8.133 672 HG LEU 96 HG LEU 96 -13.296 -5.917 -6.781 673 HD11 LEU 96 1HD1 LEU 96 -15.839 -4.350 -7.018 674 HD12 LEU 96 2HD1 LEU 96 -14.894 -4.352 -5.529 675 HD13 LEU 96 3HD1 LEU 96 -15.543 -5.864 -6.163 676 HD21 LEU 96 1HD2 LEU 96 -13.795 -6.506 -8.858 677 HD22 LEU 96 2HD2 LEU 96 -13.742 -4.813 -9.353 678 HD23 LEU 96 3HD2 LEU 96 -15.258 -5.522 -8.796 679 H GLY 97 H GLY 97 -12.121 -1.187 -6.457 680 HA2 GLY 97 1HA GLY 97 -9.940 -0.628 -7.994 681 HA3 GLY 97 2HA GLY 97 -10.561 0.480 -6.780 682 H LEU 98 H LEU 98 -9.925 -0.524 -4.427 683 HA LEU 98 HA LEU 98 -7.296 0.098 -3.996 684 HB2 LEU 98 1HB LEU 98 -8.875 -0.085 -2.190 685 HB3 LEU 98 2HB LEU 98 -9.041 -1.819 -2.461 686 HG LEU 98 HG LEU 98 -6.771 -2.184 -1.687 687 HD11 LEU 98 1HD1 LEU 98 -5.895 0.009 -2.513 688 HD12 LEU 98 2HD1 LEU 98 -5.359 -0.442 -0.894 689 HD13 LEU 98 3HD1 LEU 98 -6.630 0.764 -1.097 690 HD21 LEU 98 1HD2 LEU 98 -7.071 -1.283 0.679 691 HD22 LEU 98 2HD2 LEU 98 -8.345 -2.325 0.046 692 HD23 LEU 98 3HD2 LEU 98 -8.577 -0.576 0.094 693 H ILE 99 H ILE 99 -8.621 -3.193 -4.331 694 HA ILE 99 HA ILE 99 -6.314 -4.660 -4.076 695 HB ILE 99 HB ILE 99 -8.579 -5.194 -6.000 696 HG12 ILE 99 1HG1 ILE 99 -8.150 -6.336 -3.238 697 HG13 ILE 99 2HG1 ILE 99 -9.137 -4.911 -3.539 698 HG21 ILE 99 1HG2 ILE 99 -6.344 -6.438 -6.300 699 HG22 ILE 99 2HG2 ILE 99 -6.781 -7.272 -4.810 700 HG23 ILE 99 3HG2 ILE 99 -7.830 -7.385 -6.224 701 HD11 ILE 99 1HD1 ILE 99 -9.926 -7.035 -5.292 702 HD12 ILE 99 2HD1 ILE 99 -9.928 -7.587 -3.617 703 HD13 ILE 99 3HD1 ILE 99 -10.870 -6.170 -4.080 704 H ALA 100 H ALA 100 -7.643 -3.336 -7.107 705 HA ALA 100 HA ALA 100 -5.553 -4.178 -8.775 706 HB1 ALA 100 1HB ALA 100 -6.365 -2.215 -10.228 707 HB2 ALA 100 2HB ALA 100 -7.495 -3.524 -9.878 708 HB3 ALA 100 3HB ALA 100 -7.603 -2.003 -8.991 709 H TYR 101 H TYR 101 -5.944 -1.289 -6.802 710 HA TYR 101 HA TYR 101 -3.869 0.260 -7.824 711 HB2 TYR 101 1HB TYR 101 -5.577 1.016 -6.162 712 HB3 TYR 101 2HB TYR 101 -4.717 0.105 -4.926 713 HD1 TYR 101 1HD TYR 101 -3.383 2.249 -7.670 714 HD2 TYR 101 2HD TYR 101 -3.843 1.699 -3.475 715 HE1 TYR 101 1HE TYR 101 -1.927 4.189 -7.262 716 HE2 TYR 101 2HE TYR 101 -2.389 3.638 -3.056 717 HH TYR 101 HH TYR 101 -1.207 5.655 -5.696 718 H LEU 102 H LEU 102 -3.773 -1.923 -5.005 719 HA LEU 102 HA LEU 102 -1.074 -1.715 -4.429 720 HB2 LEU 102 1HB LEU 102 -2.728 -4.222 -4.198 721 HB3 LEU 102 2HB LEU 102 -1.275 -3.826 -3.283 722 HG LEU 102 HG LEU 102 -3.690 -2.078 -3.061 723 HD11 LEU 102 1HD1 LEU 102 -4.878 -3.878 -2.423 724 HD12 LEU 102 2HD1 LEU 102 -3.968 -3.700 -0.923 725 HD13 LEU 102 3HD1 LEU 102 -3.441 -4.861 -2.142 726 HD21 LEU 102 1HD2 LEU 102 -1.962 -1.117 -1.902 727 HD22 LEU 102 2HD2 LEU 102 -1.225 -2.666 -1.493 728 HD23 LEU 102 3HD2 LEU 102 -2.672 -2.125 -0.640 729 H SER 103 H SER 103 -2.681 -4.052 -6.576 730 HA SER 103 HA SER 103 -0.710 -5.690 -7.359 731 HB2 SER 103 1HB SER 103 -3.004 -5.646 -8.335 732 HB3 SER 103 2HB SER 103 -2.520 -4.274 -9.330 733 HG SER 103 HG SER 103 -0.736 -5.815 -9.993 734 H HIS 104 H HIS 104 -1.071 -2.339 -8.436 735 HA HIS 104 HA HIS 104 1.011 -2.293 -10.304 736 HB2 HIS 104 1HB HIS 104 0.024 -0.039 -8.543 737 HB3 HIS 104 2HB HIS 104 0.991 0.148 -10.002 738 HD1 HIS 104 1HD HIS 104 -0.928 1.585 -11.039 739 HD2 HIS 104 2HD HIS 104 -1.963 -2.351 -10.200 740 HE1 HIS 104 1HE HIS 104 -3.088 1.183 -12.262 741 HE2 HIS 104 2HE HIS 104 -3.739 -1.179 -11.671 742 H PHE 105 H PHE 105 1.021 -1.622 -6.824 743 HA PHE 105 HA PHE 105 3.680 -0.800 -6.588 744 HB2 PHE 105 1HB PHE 105 1.760 -2.090 -4.667 745 HB3 PHE 105 2HB PHE 105 3.411 -1.718 -4.185 746 HD1 PHE 105 1HD PHE 105 0.235 -0.253 -5.354 747 HD2 PHE 105 2HD PHE 105 4.068 0.487 -3.660 748 HE1 PHE 105 1HE PHE 105 -0.442 2.056 -4.843 749 HE2 PHE 105 2HE PHE 105 3.397 2.799 -3.145 750 HZ PHE 105 HZ PHE 105 1.140 3.586 -3.736 751 H HIS 106 H HIS 106 2.288 -4.042 -6.086 752 HA HIS 106 HA HIS 106 4.752 -5.336 -5.635 753 HB2 HIS 106 1HB HIS 106 2.601 -6.315 -4.972 754 HB3 HIS 106 2HB HIS 106 2.149 -6.485 -6.665 755 HD1 HIS 106 1HD HIS 106 2.054 -8.989 -6.830 756 HD2 HIS 106 2HD HIS 106 5.622 -7.628 -5.192 757 HE1 HIS 106 1HE HIS 106 3.537 -11.014 -6.674 758 HE2 HIS 106 2HE HIS 106 5.659 -10.182 -5.601 759 H SER 107 H SER 107 2.659 -5.480 -8.524 760 HA SER 107 HA SER 107 4.162 -6.880 -10.256 761 HB2 SER 107 1HB SER 107 2.552 -4.380 -10.733 762 HB3 SER 107 2HB SER 107 3.338 -5.232 -12.062 763 HG SER 107 HG SER 107 1.614 -6.525 -10.227 764 H ALA 108 H ALA 108 4.823 -3.612 -9.176 765 HA ALA 108 HA ALA 108 7.084 -3.340 -10.986 766 HB1 ALA 108 1HB ALA 108 7.249 -1.097 -10.237 767 HB2 ALA 108 2HB ALA 108 5.531 -1.438 -10.434 768 HB3 ALA 108 3HB ALA 108 6.246 -1.423 -8.823 769 H PHE 109 H PHE 109 6.454 -3.697 -7.525 770 HA PHE 109 HA PHE 109 9.343 -4.033 -7.078 771 HB2 PHE 109 1HB PHE 109 7.096 -3.244 -5.227 772 HB3 PHE 109 2HB PHE 109 8.673 -3.747 -4.626 773 HD1 PHE 109 1HD PHE 109 6.928 -1.221 -6.681 774 HD2 PHE 109 2HD PHE 109 10.502 -2.267 -4.618 775 HE1 PHE 109 1HE PHE 109 7.760 1.077 -6.966 776 HE2 PHE 109 2HE PHE 109 11.339 0.029 -4.899 777 HZ PHE 109 HZ PHE 109 9.968 1.705 -6.073 778 H LYS 110 H LYS 110 8.195 -6.166 -8.257 779 HA LYS 110 HA LYS 110 7.100 -8.079 -6.476 780 HB2 LYS 110 1HB LYS 110 8.190 -8.108 -9.242 781 HB3 LYS 110 2HB LYS 110 8.091 -9.649 -8.400 782 HG2 LYS 110 1HG LYS 110 5.637 -8.816 -7.898 783 HG3 LYS 110 2HG LYS 110 5.923 -7.859 -9.353 784 HD2 LYS 110 1HD LYS 110 6.721 -10.083 -10.390 785 HD3 LYS 110 2HD LYS 110 5.885 -10.841 -9.032 786 HE2 LYS 110 1HE LYS 110 4.206 -10.817 -10.591 787 HE3 LYS 110 2HE LYS 110 3.917 -9.273 -9.789 788 HZ1 LYS 110 1HZ LYS 110 4.836 -8.098 -11.552 789 HZ2 LYS 110 2HZ LYS 110 3.953 -9.316 -12.324 790 HZ3 LYS 110 3HZ LYS 110 5.634 -9.449 -12.185 791 H SER 111 H SER 111 8.104 -9.053 -4.855 792 HA SER 111 HA SER 111 10.891 -9.893 -5.202 793 HB2 SER 111 1HB SER 111 10.594 -7.681 -3.857 794 HB3 SER 111 2HB SER 111 10.012 -8.738 -2.571 795 HG SER 111 HG SER 111 11.978 -9.439 -2.255 796 H GLY 112 H GLY 112 11.167 -11.959 -4.673 797 HA2 GLY 112 1HA GLY 112 10.450 -13.350 -2.481 798 HA3 GLY 112 2HA GLY 112 8.982 -13.413 -3.445 799 HA PRO 113 HA PRO 113 12.158 -16.747 -4.653 800 HB2 PRO 113 1HB PRO 113 10.939 -18.884 -3.505 801 HB3 PRO 113 2HB PRO 113 12.158 -17.911 -2.673 802 HG2 PRO 113 1HG PRO 113 9.174 -17.801 -2.457 803 HG3 PRO 113 2HG PRO 113 10.393 -17.722 -1.171 804 HD2 PRO 113 1HD PRO 113 9.159 -15.518 -2.145 805 HD3 PRO 113 2HD PRO 113 10.831 -15.491 -1.550 806 H SER 114 H SER 114 11.102 -16.102 -6.683 807 HA SER 114 HA SER 114 9.418 -18.243 -7.672 808 HB2 SER 114 1HB SER 114 8.506 -15.359 -7.845 809 HB3 SER 114 2HB SER 114 7.708 -16.740 -8.597 810 HG SER 114 HG SER 114 6.860 -16.003 -6.499 811 H SER 115 H SER 115 8.820 -17.535 -10.121 812 HA SER 115 HA SER 115 10.749 -15.986 -11.504 813 HB2 SER 115 1HB SER 115 12.153 -17.957 -10.820 814 HB3 SER 115 2HB SER 115 11.096 -18.977 -11.795 815 HG SER 115 HG SER 115 12.797 -16.884 -12.657 816 H GLY 116 H GLY 116 10.014 -15.501 -13.499 817 HA2 GLY 116 1HA GLY 116 8.570 -15.407 -15.281 818 HA3 GLY 116 2HA GLY 116 8.622 -17.163 -15.240
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